data_17705 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17705 _Entry.PDB_ID 2LEA 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 17705 _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 36 36 SER N N 2 116.240 116.240 117.850 -1.610 17705 2 1 1 . 1 1 36 36 SER HA H 2 4.389 4.389 5.121 -0.732 17705 3 1 1 . 1 1 36 36 SER CB C 2 61.141 61.141 65.584 -4.443 17705 4 1 1 . 1 1 36 36 SER H H 2 8.111 8.111 8.971 -0.860 17705 5 1 1 . 1 1 37 37 TYR N N 3 121.776 121.776 115.612 6.164 17705 6 1 1 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.029 -0.484 17705 7 1 1 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.560 -3.265 17705 8 1 1 . 1 1 37 37 TYR CB C 3 36.113 36.113 40.146 -4.033 17705 9 1 1 . 1 1 37 37 TYR H H 3 8.062 8.062 8.622 -0.560 17705 10 1 1 . 1 1 38 38 GLY N N 4 110.102 110.102 107.678 2.424 17705 11 1 1 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.777 -2.199 17705 12 1 1 . 1 1 38 38 GLY H H 4 8.221 8.221 7.337 0.884 17705 13 1 1 . 1 1 39 39 ARG N N 5 121.307 121.307 119.328 1.979 17705 14 1 1 . 1 1 39 39 ARG HA H 5 4.582 4.582 3.645 0.937 17705 15 1 1 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.690 -4.670 17705 16 1 1 . 1 1 39 39 ARG CB C 5 27.731 27.731 29.691 -1.960 17705 17 1 1 . 1 1 39 39 ARG H H 5 7.967 7.967 6.945 1.022 17705 18 1 1 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.427 -0.096 17705 19 1 1 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.866 -2.347 17705 20 1 1 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.266 -2.976 17705 21 1 1 . 1 1 43 43 ASP N N 9 119.234 119.234 119.452 -0.218 17705 22 1 1 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.560 -0.018 17705 23 1 1 . 1 1 43 43 ASP CB C 9 38.419 38.419 38.031 0.388 17705 24 1 1 . 1 1 43 43 ASP H H 9 8.260 8.260 8.704 -0.444 17705 25 1 1 . 1 1 44 44 VAL N N 10 119.005 119.005 113.622 5.383 17705 26 1 1 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.890 0.141 17705 27 1 1 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.526 -3.458 17705 28 1 1 . 1 1 44 44 VAL CB C 10 29.848 29.848 31.380 -1.532 17705 29 1 1 . 1 1 44 44 VAL H H 10 7.903 7.903 7.363 0.540 17705 30 1 1 . 1 1 45 45 GLU N N 11 122.556 122.556 120.514 2.042 17705 31 1 1 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.090 0.042 17705 32 1 1 . 1 1 45 45 GLU CA C 11 54.758 54.758 58.067 -3.309 17705 33 1 1 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.400 -1.190 17705 34 1 1 . 1 1 45 45 GLU H H 11 8.304 8.304 8.439 -0.135 17705 35 1 1 . 1 1 46 46 GLY N N 12 108.250 108.250 105.294 2.956 17705 36 1 1 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.009 -2.237 17705 37 1 1 . 1 1 46 46 GLY H H 12 8.187 8.187 7.657 0.530 17705 38 1 1 . 1 1 47 47 MET N N 13 118.678 118.678 117.041 1.637 17705 39 1 1 . 1 1 47 47 MET HA H 13 4.606 4.606 4.760 -0.154 17705 40 1 1 . 1 1 47 47 MET CB C 13 30.713 30.713 36.751 -6.037 17705 41 1 1 . 1 1 47 47 MET H H 13 7.798 7.798 7.675 0.123 17705 42 1 1 . 1 1 48 48 THR N N 14 116.971 116.971 114.366 2.605 17705 43 1 1 . 1 1 48 48 THR HA H 14 4.469 4.469 4.613 -0.144 17705 44 1 1 . 1 1 48 48 THR CA C 14 60.072 60.072 62.675 -2.603 17705 45 1 1 . 1 1 48 48 THR CB C 14 67.533 67.533 71.002 -3.469 17705 46 1 1 . 1 1 48 48 THR H H 14 8.693 8.693 8.846 -0.153 17705 47 1 1 . 1 1 49 49 SER N N 15 121.549 121.549 119.608 1.941 17705 48 1 1 . 1 1 49 49 SER HA H 15 5.369 5.369 5.169 0.200 17705 49 1 1 . 1 1 49 49 SER CA C 15 55.530 55.530 60.289 -4.759 17705 50 1 1 . 1 1 49 49 SER CB C 15 62.465 62.465 64.007 -1.542 17705 51 1 1 . 1 1 49 49 SER H H 15 8.813 8.813 8.230 0.583 17705 52 1 1 . 1 1 50 50 LEU N N 16 122.760 122.760 125.429 -2.669 17705 53 1 1 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.453 0.662 17705 54 1 1 . 1 1 50 50 LEU CA C 16 50.197 50.197 54.013 -3.816 17705 55 1 1 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.739 -3.118 17705 56 1 1 . 1 1 50 50 LEU H H 16 9.287 9.287 8.213 1.074 17705 57 1 1 . 1 1 51 51 LYS N N 17 123.384 123.384 123.272 0.112 17705 58 1 1 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.257 -0.463 17705 59 1 1 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.390 -1.809 17705 60 1 1 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.886 -3.633 17705 61 1 1 . 1 1 51 51 LYS H H 17 9.240 9.240 8.863 0.377 17705 62 1 1 . 1 1 52 52 VAL N N 18 129.496 129.496 124.740 4.756 17705 63 1 1 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.743 0.022 17705 64 1 1 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.573 -2.343 17705 65 1 1 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.882 -5.129 17705 66 1 1 . 1 1 52 52 VAL H H 18 9.194 9.194 7.909 1.285 17705 67 1 1 . 1 1 53 53 ASP N N 19 126.148 126.148 124.486 1.662 17705 68 1 1 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.033 0.265 17705 69 1 1 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.951 -1.888 17705 70 1 1 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.797 -2.064 17705 71 1 1 . 1 1 53 53 ASP H H 19 9.382 9.382 8.903 0.479 17705 72 1 1 . 1 1 54 54 ASN N N 20 113.840 113.840 117.912 -4.072 17705 73 1 1 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.656 -0.198 17705 74 1 1 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.157 -3.030 17705 75 1 1 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.200 -3.150 17705 76 1 1 . 1 1 54 54 ASN H H 20 8.736 8.736 8.695 0.041 17705 77 1 1 . 1 1 55 55 LEU N N 21 115.267 115.267 122.865 -7.598 17705 78 1 1 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.706 -0.317 17705 79 1 1 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.422 -2.253 17705 80 1 1 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.339 -4.164 17705 81 1 1 . 1 1 55 55 LEU H H 21 7.661 7.661 8.775 -1.114 17705 82 1 1 . 1 1 56 56 THR N N 22 111.721 111.721 113.142 -1.421 17705 83 1 1 . 1 1 56 56 THR CB C 22 68.066 68.066 69.738 -1.672 17705 84 1 1 . 1 1 56 56 THR H H 22 8.377 8.377 8.491 -0.114 17705 85 1 1 . 1 1 57 57 TYR N N 23 122.454 122.454 119.204 3.250 17705 86 1 1 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.169 0.139 17705 87 1 1 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.462 -2.885 17705 88 1 1 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.422 -2.029 17705 89 1 1 . 1 1 57 57 TYR H H 23 8.601 8.601 7.939 0.662 17705 90 1 1 . 1 1 58 58 ARG N N 24 114.958 114.958 119.126 -4.168 17705 91 1 1 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.298 -0.084 17705 92 1 1 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.376 -2.105 17705 93 1 1 . 1 1 58 58 ARG CB C 24 27.388 27.388 31.145 -3.757 17705 94 1 1 . 1 1 58 58 ARG H H 24 7.366 7.366 7.997 -0.631 17705 95 1 1 . 1 1 59 59 THR N N 25 119.016 119.016 115.425 3.591 17705 96 1 1 . 1 1 59 59 THR HA H 25 4.037 4.037 4.074 -0.037 17705 97 1 1 . 1 1 59 59 THR CA C 25 62.031 62.031 64.632 -2.601 17705 98 1 1 . 1 1 59 59 THR CB C 25 65.705 65.705 68.926 -3.221 17705 99 1 1 . 1 1 59 59 THR H H 25 7.356 7.356 8.018 -0.662 17705 100 1 1 . 1 1 60 60 SER N N 26 124.554 124.554 113.915 10.639 17705 101 1 1 . 1 1 60 60 SER HA H 26 4.834 4.834 4.202 0.632 17705 102 1 1 . 1 1 60 60 SER CA C 26 52.978 52.978 58.446 -5.468 17705 103 1 1 . 1 1 60 60 SER CB C 26 61.637 61.637 62.876 -1.238 17705 104 1 1 . 1 1 60 60 SER H H 26 8.404 8.404 7.924 0.480 17705 105 1 1 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.245 -0.204 17705 106 1 1 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.373 -2.296 17705 107 1 1 . 1 1 62 62 ASP N N 28 115.821 115.821 117.567 -1.746 17705 108 1 1 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.452 -0.079 17705 109 1 1 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.828 -3.247 17705 110 1 1 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.642 -2.427 17705 111 1 1 . 1 1 62 62 ASP H H 28 8.022 8.022 8.738 -0.716 17705 112 1 1 . 1 1 63 63 THR N N 29 118.403 118.403 116.674 1.729 17705 113 1 1 . 1 1 63 63 THR HA H 29 3.898 3.898 4.089 -0.191 17705 114 1 1 . 1 1 63 63 THR CA C 29 63.704 63.704 65.892 -2.188 17705 115 1 1 . 1 1 63 63 THR CB C 29 65.555 65.555 68.835 -3.280 17705 116 1 1 . 1 1 63 63 THR H H 29 7.791 7.791 7.532 0.259 17705 117 1 1 . 1 1 64 64 LEU N N 30 119.247 119.247 121.405 -2.158 17705 118 1 1 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.160 -0.122 17705 119 1 1 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.855 -2.755 17705 120 1 1 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.642 -1.840 17705 121 1 1 . 1 1 64 64 LEU H H 30 7.607 7.607 7.629 -0.022 17705 122 1 1 . 1 1 65 65 ARG N N 31 118.798 118.798 119.389 -0.591 17705 123 1 1 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.107 -0.467 17705 124 1 1 . 1 1 65 65 ARG CA C 31 58.315 58.315 58.997 -0.682 17705 125 1 1 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.873 -2.319 17705 126 1 1 . 1 1 65 65 ARG H H 31 8.547 8.547 8.155 0.392 17705 127 1 1 . 1 1 66 66 ARG N N 32 116.038 116.038 117.617 -1.579 17705 128 1 1 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.324 -0.262 17705 129 1 1 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.476 -1.790 17705 130 1 1 . 1 1 66 66 ARG H H 32 7.732 7.732 7.744 -0.012 17705 131 1 1 . 1 1 67 67 VAL N N 33 115.825 115.825 118.098 -2.273 17705 132 1 1 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.936 -0.092 17705 133 1 1 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.159 -1.429 17705 134 1 1 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.216 -2.726 17705 135 1 1 . 1 1 67 67 VAL H H 33 7.837 7.837 7.559 0.278 17705 136 1 1 . 1 1 68 68 PHE N N 34 116.175 116.175 116.694 -0.519 17705 137 1 1 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.885 -0.388 17705 138 1 1 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.338 0.916 17705 139 1 1 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.181 -4.921 17705 140 1 1 . 1 1 68 68 PHE H H 34 8.194 8.194 7.670 0.524 17705 141 1 1 . 1 1 69 69 GLU N N 35 119.377 119.377 121.263 -1.886 17705 142 1 1 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.217 0.832 17705 143 1 1 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.016 -4.105 17705 144 1 1 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.817 -2.595 17705 145 1 1 . 1 1 69 69 GLU H H 35 8.669 8.669 8.895 -0.226 17705 146 1 1 . 1 1 70 70 LYS N N 36 118.371 118.371 118.724 -0.353 17705 147 1 1 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.028 -0.156 17705 148 1 1 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.369 -2.890 17705 149 1 1 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.476 -2.256 17705 150 1 1 . 1 1 70 70 LYS H H 36 6.866 6.866 8.248 -1.382 17705 151 1 1 . 1 1 71 71 TYR N N 37 115.053 115.053 118.173 -3.120 17705 152 1 1 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.349 -0.036 17705 153 1 1 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.775 -3.644 17705 154 1 1 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.079 -2.317 17705 155 1 1 . 1 1 71 71 TYR H H 37 7.637 7.637 7.770 -0.133 17705 156 1 1 . 1 1 72 72 GLY N N 38 104.732 104.732 105.814 -1.082 17705 157 1 1 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.345 -3.652 17705 158 1 1 . 1 1 72 72 GLY H H 38 7.353 7.353 7.973 -0.620 17705 159 1 1 . 1 1 73 73 ARG N N 39 115.823 115.823 119.170 -3.347 17705 160 1 1 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.469 -0.143 17705 161 1 1 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.177 -0.613 17705 162 1 1 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.014 -5.163 17705 163 1 1 . 1 1 73 73 ARG H H 39 7.975 7.975 8.122 -0.147 17705 164 1 1 . 1 1 74 74 VAL N N 40 129.287 129.287 119.946 9.341 17705 165 1 1 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.451 0.240 17705 166 1 1 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.052 -1.775 17705 167 1 1 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.483 -2.765 17705 168 1 1 . 1 1 74 74 VAL H H 40 8.826 8.826 8.410 0.416 17705 169 1 1 . 1 1 75 75 GLY N N 41 115.247 115.247 115.131 0.116 17705 170 1 1 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.017 -2.807 17705 171 1 1 . 1 1 75 75 GLY H H 41 9.023 9.023 8.074 0.949 17705 172 1 1 . 1 1 76 76 ASP N N 42 117.313 117.313 118.704 -1.391 17705 173 1 1 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.845 -0.198 17705 174 1 1 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.605 -3.024 17705 175 1 1 . 1 1 76 76 ASP H H 42 7.375 7.375 8.083 -0.708 17705 176 1 1 . 1 1 77 77 VAL N N 43 121.209 121.209 122.988 -1.779 17705 177 1 1 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.338 0.305 17705 178 1 1 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.829 -1.787 17705 179 1 1 . 1 1 77 77 VAL H H 43 7.799 7.799 8.497 -0.698 17705 180 1 1 . 1 1 78 78 TYR N N 44 127.478 127.478 126.588 0.890 17705 181 1 1 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.832 0.222 17705 182 1 1 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.440 -3.547 17705 183 1 1 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.166 -2.392 17705 184 1 1 . 1 1 78 78 TYR H H 44 9.056 9.056 8.097 0.959 17705 185 1 1 . 1 1 79 79 ILE N N 45 128.848 128.848 119.979 8.869 17705 186 1 1 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.302 0.095 17705 187 1 1 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.213 -1.558 17705 188 1 1 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.806 -3.436 17705 189 1 1 . 1 1 79 79 ILE H H 45 8.484 8.484 8.512 -0.028 17705 190 1 1 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.625 -0.566 17705 191 1 1 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.358 -2.597 17705 192 1 1 . 1 1 81 81 ARG N N 47 119.796 119.796 120.585 -0.789 17705 193 1 1 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.042 0.394 17705 194 1 1 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.880 -0.906 17705 195 1 1 . 1 1 81 81 ARG H H 47 8.131 8.131 7.700 0.431 17705 196 1 1 . 1 1 82 82 ASP N N 48 122.427 122.427 120.233 2.194 17705 197 1 1 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.481 -0.044 17705 198 1 1 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.309 -3.661 17705 199 1 1 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.034 -0.680 17705 200 1 1 . 1 1 82 82 ASP H H 48 8.511 8.511 8.186 0.325 17705 201 1 1 . 1 1 83 83 ARG N N 49 124.150 124.150 118.798 5.352 17705 202 1 1 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.472 -0.473 17705 203 1 1 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.165 -3.507 17705 204 1 1 . 1 1 83 83 ARG H H 49 8.546 8.546 8.493 0.053 17705 205 1 1 . 1 1 84 84 TYR N N 50 118.236 118.236 115.771 2.465 17705 206 1 1 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.836 -0.183 17705 207 1 1 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.896 -2.964 17705 208 1 1 . 1 1 84 84 TYR H H 50 8.376 8.376 7.546 0.830 17705 209 1 1 . 1 1 85 85 THR N N 51 111.445 111.445 111.973 -0.528 17705 210 1 1 . 1 1 85 85 THR HA H 51 4.306 4.306 4.550 -0.244 17705 211 1 1 . 1 1 85 85 THR CA C 51 59.280 59.280 60.736 -1.456 17705 212 1 1 . 1 1 85 85 THR CB C 51 67.748 67.748 71.676 -3.928 17705 213 1 1 . 1 1 85 85 THR H H 51 8.790 8.790 7.252 1.538 17705 214 1 1 . 1 1 86 86 LYS N N 52 115.778 115.778 120.220 -4.442 17705 215 1 1 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.578 -0.592 17705 216 1 1 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.233 -0.043 17705 217 1 1 . 1 1 86 86 LYS H H 52 7.947 7.947 8.614 -0.667 17705 218 1 1 . 1 1 87 87 GLU N N 53 118.931 118.931 116.396 2.535 17705 219 1 1 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.788 -0.466 17705 220 1 1 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.075 -3.714 17705 221 1 1 . 1 1 87 87 GLU H H 53 7.881 7.881 7.495 0.386 17705 222 1 1 . 1 1 88 88 SER N N 54 116.268 116.268 113.323 2.945 17705 223 1 1 . 1 1 88 88 SER HA H 54 4.324 4.324 4.876 -0.552 17705 224 1 1 . 1 1 88 88 SER CA C 54 55.543 55.543 56.667 -1.124 17705 225 1 1 . 1 1 88 88 SER CB C 54 61.291 61.291 65.977 -4.686 17705 226 1 1 . 1 1 88 88 SER H H 54 8.472 8.472 8.439 0.033 17705 227 1 1 . 1 1 89 89 ARG N N 55 121.084 121.084 121.877 -0.793 17705 228 1 1 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.362 -0.029 17705 229 1 1 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.455 -2.216 17705 230 1 1 . 1 1 89 89 ARG H H 55 8.121 8.121 8.712 -0.591 17705 231 1 1 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.790 -1.595 17705 232 1 1 . 1 1 90 90 GLY H H 56 8.334 8.334 8.398 -0.064 17705 233 1 1 . 1 1 91 91 PHE N N 57 113.361 113.361 114.483 -1.122 17705 234 1 1 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.013 0.650 17705 235 1 1 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.203 -3.320 17705 236 1 1 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.477 -1.017 17705 237 1 1 . 1 1 91 91 PHE H H 57 6.980 6.980 7.578 -0.598 17705 238 1 1 . 1 1 92 92 ALA N N 58 118.350 118.350 123.312 -4.962 17705 239 1 1 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.543 0.273 17705 240 1 1 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.655 -3.486 17705 241 1 1 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.399 1.881 17705 242 1 1 . 1 1 92 92 ALA H H 58 8.854 8.854 8.103 0.751 17705 243 1 1 . 1 1 93 93 PHE N N 59 116.210 116.210 118.813 -2.603 17705 244 1 1 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.667 1.124 17705 245 1 1 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.924 -3.185 17705 246 1 1 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.275 -2.349 17705 247 1 1 . 1 1 93 93 PHE H H 59 9.011 9.011 7.982 1.029 17705 248 1 1 . 1 1 94 94 VAL N N 60 123.082 123.082 120.722 2.360 17705 249 1 1 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.381 -0.034 17705 250 1 1 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.775 -3.079 17705 251 1 1 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.901 -1.308 17705 252 1 1 . 1 1 94 94 VAL H H 60 8.878 8.878 7.574 1.304 17705 253 1 1 . 1 1 95 95 ARG N N 61 125.689 125.689 126.355 -0.666 17705 254 1 1 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.299 -0.067 17705 255 1 1 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.204 -2.019 17705 256 1 1 . 1 1 95 95 ARG H H 61 8.649 8.649 9.031 -0.382 17705 257 1 1 . 1 1 96 96 PHE N N 62 123.552 123.552 123.434 0.118 17705 258 1 1 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.700 0.129 17705 259 1 1 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.493 -0.494 17705 260 1 1 . 1 1 96 96 PHE CB C 62 39.483 39.483 42.272 -2.789 17705 261 1 1 . 1 1 96 96 PHE H H 62 9.152 9.152 8.567 0.585 17705 262 1 1 . 1 1 97 97 HIS N N 63 119.487 119.487 119.146 0.341 17705 263 1 1 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.650 -0.249 17705 264 1 1 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.326 -2.909 17705 265 1 1 . 1 1 97 97 HIS H H 63 7.904 7.904 8.090 -0.186 17705 266 1 1 . 1 1 98 98 ASP N N 64 119.624 119.624 119.851 -0.227 17705 267 1 1 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.913 0.119 17705 268 1 1 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.303 -3.065 17705 269 1 1 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.587 -1.016 17705 270 1 1 . 1 1 98 98 ASP H H 64 9.103 9.103 7.920 1.183 17705 271 1 1 . 1 1 99 99 LYS N N 65 127.479 127.479 125.770 1.709 17705 272 1 1 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.140 -0.280 17705 273 1 1 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.768 -1.644 17705 274 1 1 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.280 -1.995 17705 275 1 1 . 1 1 99 99 LYS H H 65 8.743 8.743 8.834 -0.091 17705 276 1 1 . 1 1 100 100 ARG N N 66 118.795 118.795 118.600 0.195 17705 277 1 1 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.462 -0.399 17705 278 1 1 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.161 -2.101 17705 279 1 1 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.549 -2.776 17705 280 1 1 . 1 1 100 100 ARG H H 66 8.604 8.604 8.950 -0.346 17705 281 1 1 . 1 1 101 101 ASP N N 67 119.686 119.686 119.684 0.002 17705 282 1 1 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.658 -0.456 17705 283 1 1 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.160 -2.942 17705 284 1 1 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.632 -2.558 17705 285 1 1 . 1 1 101 101 ASP H H 67 7.105 7.105 7.936 -0.831 17705 286 1 1 . 1 1 102 102 ALA N N 68 119.709 119.709 123.031 -3.322 17705 287 1 1 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.672 -0.846 17705 288 1 1 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.830 -3.151 17705 289 1 1 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.504 -2.914 17705 290 1 1 . 1 1 102 102 ALA H H 68 6.848 6.848 7.934 -1.086 17705 291 1 1 . 1 1 103 103 GLU N N 69 117.431 117.431 119.891 -2.460 17705 292 1 1 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.888 -0.233 17705 293 1 1 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.961 -2.792 17705 294 1 1 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.533 -3.033 17705 295 1 1 . 1 1 103 103 GLU H H 69 8.008 8.008 8.296 -0.288 17705 296 1 1 . 1 1 104 104 ASP N N 70 120.512 120.512 119.173 1.339 17705 297 1 1 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.412 -0.146 17705 298 1 1 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.469 -2.952 17705 299 1 1 . 1 1 104 104 ASP H H 70 8.022 8.022 7.708 0.314 17705 300 1 1 . 1 1 105 105 ALA N N 71 122.325 122.325 121.958 0.367 17705 301 1 1 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.563 0.222 17705 302 1 1 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.428 -2.694 17705 303 1 1 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.356 -1.208 17705 304 1 1 . 1 1 105 105 ALA H H 71 8.109 8.109 7.391 0.718 17705 305 1 1 . 1 1 106 106 MET N N 72 118.595 118.595 118.526 0.069 17705 306 1 1 . 1 1 106 106 MET HA H 72 3.657 3.657 4.077 -0.420 17705 307 1 1 . 1 1 106 106 MET CA C 72 57.163 57.163 58.721 -1.558 17705 308 1 1 . 1 1 106 106 MET CB C 72 30.248 30.248 32.769 -2.521 17705 309 1 1 . 1 1 106 106 MET H H 72 8.293 8.293 8.132 0.161 17705 310 1 1 . 1 1 107 107 ASP N N 73 117.126 117.126 118.832 -1.706 17705 311 1 1 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.471 -0.147 17705 312 1 1 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.077 -2.029 17705 313 1 1 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.915 -2.567 17705 314 1 1 . 1 1 107 107 ASP H H 73 7.784 7.784 8.157 -0.373 17705 315 1 1 . 1 1 108 108 ALA N N 74 117.971 117.971 117.735 0.236 17705 316 1 1 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.443 -0.332 17705 317 1 1 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.273 -0.899 17705 318 1 1 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.424 -2.771 17705 319 1 1 . 1 1 108 108 ALA H H 74 7.366 7.366 7.337 0.029 17705 320 1 1 . 1 1 109 109 MET N N 75 112.248 112.248 114.927 -2.679 17705 321 1 1 . 1 1 109 109 MET HA H 75 4.756 4.756 4.553 0.203 17705 322 1 1 . 1 1 109 109 MET CA C 75 50.696 50.696 54.471 -3.775 17705 323 1 1 . 1 1 109 109 MET H H 75 8.077 8.077 7.422 0.655 17705 324 1 1 . 1 1 110 110 ASP N N 76 120.144 120.144 121.726 -1.582 17705 325 1 1 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.424 -0.011 17705 326 1 1 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.026 -1.096 17705 327 1 1 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.945 -2.365 17705 328 1 1 . 1 1 110 110 ASP H H 76 7.915 7.915 8.005 -0.090 17705 329 1 1 . 1 1 111 111 GLY N N 77 117.810 117.810 114.466 3.344 17705 330 1 1 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.841 -2.993 17705 331 1 1 . 1 1 111 111 GLY H H 77 8.680 8.680 8.743 -0.063 17705 332 1 1 . 1 1 112 112 ALA N N 78 123.748 123.748 121.888 1.860 17705 333 1 1 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.280 0.047 17705 334 1 1 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.680 -2.712 17705 335 1 1 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.195 -1.716 17705 336 1 1 . 1 1 112 112 ALA H H 78 7.918 7.918 7.636 0.282 17705 337 1 1 . 1 1 113 113 VAL N N 79 118.622 118.622 118.645 -0.023 17705 338 1 1 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.940 0.700 17705 339 1 1 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.105 -1.484 17705 340 1 1 . 1 1 113 113 VAL H H 79 8.091 8.091 7.822 0.269 17705 341 1 1 . 1 1 114 114 LEU N N 80 129.451 129.451 124.895 4.556 17705 342 1 1 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.049 0.496 17705 343 1 1 . 1 1 114 114 LEU CA C 80 51.948 51.948 57.582 -5.634 17705 344 1 1 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.828 0.852 17705 345 1 1 . 1 1 114 114 LEU H H 80 8.875 8.875 8.372 0.503 17705 346 1 1 . 1 1 115 115 ASP N N 81 129.610 129.610 115.929 13.681 17705 347 1 1 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.684 -0.451 17705 348 1 1 . 1 1 115 115 ASP CA C 81 52.275 52.275 53.977 -1.702 17705 349 1 1 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.940 -4.682 17705 350 1 1 . 1 1 115 115 ASP H H 81 9.445 9.445 8.126 1.319 17705 351 1 1 . 1 1 116 116 GLY N N 82 100.657 100.657 107.415 -6.758 17705 352 1 1 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.139 -2.254 17705 353 1 1 . 1 1 116 116 GLY H H 82 8.008 8.008 8.212 -0.204 17705 354 1 1 . 1 1 117 117 ARG N N 83 120.179 120.179 118.271 1.908 17705 355 1 1 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.658 -0.112 17705 356 1 1 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.203 -5.255 17705 357 1 1 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.515 -0.946 17705 358 1 1 . 1 1 117 117 ARG H H 83 7.499 7.499 8.225 -0.726 17705 359 1 1 . 1 1 118 118 GLU N N 84 121.274 121.274 119.653 1.621 17705 360 1 1 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.197 0.122 17705 361 1 1 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.248 -3.231 17705 362 1 1 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.092 -1.903 17705 363 1 1 . 1 1 118 118 GLU H H 84 8.369 8.369 8.012 0.357 17705 364 1 1 . 1 1 119 119 LEU N N 85 128.104 128.104 122.582 5.522 17705 365 1 1 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.150 0.400 17705 366 1 1 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.817 -5.031 17705 367 1 1 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.261 -1.373 17705 368 1 1 . 1 1 119 119 LEU H H 85 9.356 9.356 8.240 1.116 17705 369 1 1 . 1 1 120 120 ARG N N 86 121.349 121.349 121.063 0.286 17705 370 1 1 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.051 0.103 17705 371 1 1 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.666 -2.017 17705 372 1 1 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.195 -3.620 17705 373 1 1 . 1 1 120 120 ARG H H 86 7.677 7.677 8.346 -0.669 17705 374 1 1 . 1 1 121 121 VAL N N 87 126.888 126.888 123.142 3.746 17705 375 1 1 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.778 0.363 17705 376 1 1 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.885 -2.360 17705 377 1 1 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.906 -2.973 17705 378 1 1 . 1 1 121 121 VAL H H 87 9.435 9.435 8.852 0.583 17705 379 1 1 . 1 1 122 122 GLN N N 88 122.184 122.184 122.276 -0.092 17705 380 1 1 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.707 0.228 17705 381 1 1 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.920 -2.930 17705 382 1 1 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.108 -0.748 17705 383 1 1 . 1 1 122 122 GLN H H 88 8.520 8.520 8.994 -0.474 17705 384 1 1 . 1 1 123 123 MET N N 89 122.187 122.187 120.319 1.868 17705 385 1 1 . 1 1 123 123 MET HA H 89 4.660 4.660 4.281 0.379 17705 386 1 1 . 1 1 123 123 MET CB C 89 29.398 29.398 31.798 -2.400 17705 387 1 1 . 1 1 123 123 MET H H 89 8.699 8.699 8.956 -0.257 17705 388 1 1 . 1 1 124 124 ALA N N 90 127.406 127.406 127.315 0.091 17705 389 1 1 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.008 0.441 17705 390 1 1 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.267 -2.685 17705 391 1 1 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.735 -1.938 17705 392 1 1 . 1 1 124 124 ALA H H 90 8.592 8.592 8.751 -0.159 17705 393 1 1 . 1 1 125 125 ARG N N 91 119.981 119.981 112.384 7.597 17705 394 1 1 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.751 0.568 17705 395 1 1 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.778 -4.560 17705 396 1 1 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.995 0.639 17705 397 1 1 . 1 1 125 125 ARG H H 91 8.299 8.299 7.937 0.362 17705 398 1 1 . 1 1 126 126 TYR N N 92 121.757 121.757 116.535 5.222 17705 399 1 1 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.445 0.021 17705 400 1 1 . 1 1 126 126 TYR CA C 92 55.090 55.090 57.925 -2.835 17705 401 1 1 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.863 -2.393 17705 402 1 1 . 1 1 126 126 TYR H H 92 8.182 8.182 7.066 1.116 17705 403 1 1 . 1 1 127 127 GLY N N 93 110.707 110.707 106.218 4.489 17705 404 1 1 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.962 -2.620 17705 405 1 1 . 1 1 127 127 GLY H H 93 7.969 7.969 8.780 -0.811 17705 406 1 1 . 1 1 128 128 ARG N N 94 121.504 121.504 121.934 -0.430 17705 407 1 1 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.640 -0.175 17705 408 1 1 . 1 1 128 128 ARG CA C 94 51.049 51.049 54.208 -3.159 17705 409 1 1 . 1 1 128 128 ARG H H 94 7.930 7.930 8.323 -0.393 17705 410 1 1 . 1 1 131 131 ASP N N 97 120.004 120.004 119.123 0.881 17705 411 1 1 . 1 1 131 131 ASP H H 97 8.289 8.289 8.222 0.067 17705 412 1 1 . 1 1 132 132 SER N N 98 115.594 115.594 113.948 1.646 17705 413 1 1 . 1 1 132 132 SER HA H 98 4.348 4.348 4.122 0.226 17705 414 1 1 . 1 1 132 132 SER CB C 98 61.181 61.181 63.060 -1.879 17705 415 1 1 . 1 1 132 132 SER H H 98 8.128 8.128 8.852 -0.724 17705 416 1 1 . 1 1 133 133 HIS CB C 99 27.069 27.069 32.327 -5.258 17705 417 1 1 . 1 1 133 133 HIS H H 99 8.290 8.290 7.733 0.557 17705 418 1 1 . 1 1 134 134 HIS N N 100 120.371 120.371 119.066 1.305 17705 419 1 1 . 1 1 134 134 HIS CB C 100 27.050 27.050 32.041 -4.991 17705 420 1 1 . 1 1 134 134 HIS H H 100 7.251 7.251 7.665 -0.414 17705 421 1 2 . 1 1 36 36 SER N N 2 116.240 116.240 117.285 -1.045 17705 422 1 2 . 1 1 36 36 SER HA H 2 4.389 4.389 4.392 -0.003 17705 423 1 2 . 1 1 36 36 SER CB C 2 61.141 61.141 63.250 -2.109 17705 424 1 2 . 1 1 36 36 SER H H 2 8.111 8.111 8.403 -0.292 17705 425 1 2 . 1 1 37 37 TYR N N 3 121.776 121.776 118.296 3.480 17705 426 1 2 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.862 -0.317 17705 427 1 2 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.569 -2.274 17705 428 1 2 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.446 -3.333 17705 429 1 2 . 1 1 37 37 TYR H H 3 8.062 8.062 8.201 -0.139 17705 430 1 2 . 1 1 38 38 GLY N N 4 110.102 110.102 108.547 1.555 17705 431 1 2 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.371 -1.793 17705 432 1 2 . 1 1 38 38 GLY H H 4 8.221 8.221 8.403 -0.182 17705 433 1 2 . 1 1 39 39 ARG N N 5 121.307 121.307 120.884 0.423 17705 434 1 2 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.480 0.102 17705 435 1 2 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.252 -4.232 17705 436 1 2 . 1 1 39 39 ARG CB C 5 27.731 27.731 29.691 -1.960 17705 437 1 2 . 1 1 39 39 ARG H H 5 7.967 7.967 8.280 -0.313 17705 438 1 2 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.408 -0.077 17705 439 1 2 . 1 1 42 42 PRO CA C 8 60.519 60.519 64.225 -3.705 17705 440 1 2 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.224 -2.933 17705 441 1 2 . 1 1 43 43 ASP N N 9 119.234 119.234 116.972 2.262 17705 442 1 2 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.801 -0.259 17705 443 1 2 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.188 -3.769 17705 444 1 2 . 1 1 43 43 ASP H H 9 8.260 8.260 8.165 0.095 17705 445 1 2 . 1 1 44 44 VAL N N 10 119.005 119.005 116.780 2.225 17705 446 1 2 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.985 0.046 17705 447 1 2 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.549 -3.481 17705 448 1 2 . 1 1 44 44 VAL CB C 10 29.848 29.848 31.809 -1.962 17705 449 1 2 . 1 1 44 44 VAL H H 10 7.903 7.903 7.916 -0.013 17705 450 1 2 . 1 1 45 45 GLU N N 11 122.556 122.556 120.624 1.932 17705 451 1 2 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.170 -0.038 17705 452 1 2 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.726 -2.968 17705 453 1 2 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.602 -1.392 17705 454 1 2 . 1 1 45 45 GLU H H 11 8.304 8.304 8.694 -0.390 17705 455 1 2 . 1 1 46 46 GLY N N 12 108.250 108.250 105.362 2.888 17705 456 1 2 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.167 -2.395 17705 457 1 2 . 1 1 46 46 GLY H H 12 8.187 8.187 8.088 0.099 17705 458 1 2 . 1 1 47 47 MET N N 13 118.678 118.678 118.594 0.084 17705 459 1 2 . 1 1 47 47 MET HA H 13 4.606 4.606 4.918 -0.312 17705 460 1 2 . 1 1 47 47 MET CB C 13 30.713 30.713 36.632 -5.919 17705 461 1 2 . 1 1 47 47 MET H H 13 7.798 7.798 7.672 0.126 17705 462 1 2 . 1 1 48 48 THR N N 14 116.971 116.971 114.283 2.688 17705 463 1 2 . 1 1 48 48 THR HA H 14 4.469 4.469 4.675 -0.206 17705 464 1 2 . 1 1 48 48 THR CA C 14 60.072 60.072 62.826 -2.754 17705 465 1 2 . 1 1 48 48 THR CB C 14 67.533 67.533 71.455 -3.922 17705 466 1 2 . 1 1 48 48 THR H H 14 8.693 8.693 9.035 -0.342 17705 467 1 2 . 1 1 49 49 SER N N 15 121.549 121.549 119.751 1.798 17705 468 1 2 . 1 1 49 49 SER HA H 15 5.369 5.369 5.085 0.284 17705 469 1 2 . 1 1 49 49 SER CA C 15 55.530 55.530 60.365 -4.835 17705 470 1 2 . 1 1 49 49 SER CB C 15 62.465 62.465 64.013 -1.548 17705 471 1 2 . 1 1 49 49 SER H H 15 8.813 8.813 8.006 0.807 17705 472 1 2 . 1 1 50 50 LEU N N 16 122.760 122.760 125.399 -2.639 17705 473 1 2 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.530 0.585 17705 474 1 2 . 1 1 50 50 LEU CA C 16 50.197 50.197 54.058 -3.861 17705 475 1 2 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.895 -3.273 17705 476 1 2 . 1 1 50 50 LEU H H 16 9.287 9.287 8.224 1.063 17705 477 1 2 . 1 1 51 51 LYS N N 17 123.384 123.384 123.546 -0.162 17705 478 1 2 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.348 -0.554 17705 479 1 2 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.399 -1.818 17705 480 1 2 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.969 -3.716 17705 481 1 2 . 1 1 51 51 LYS H H 17 9.240 9.240 8.925 0.315 17705 482 1 2 . 1 1 52 52 VAL N N 18 129.496 129.496 125.286 4.210 17705 483 1 2 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.795 -0.030 17705 484 1 2 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.722 -2.492 17705 485 1 2 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.604 -4.851 17705 486 1 2 . 1 1 52 52 VAL H H 18 9.194 9.194 7.960 1.234 17705 487 1 2 . 1 1 53 53 ASP N N 19 126.148 126.148 123.475 2.673 17705 488 1 2 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.054 0.244 17705 489 1 2 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.528 -1.465 17705 490 1 2 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.889 -2.156 17705 491 1 2 . 1 1 53 53 ASP H H 19 9.382 9.382 8.803 0.579 17705 492 1 2 . 1 1 54 54 ASN N N 20 113.840 113.840 117.529 -3.689 17705 493 1 2 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.622 -0.164 17705 494 1 2 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.250 -3.123 17705 495 1 2 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.115 -3.065 17705 496 1 2 . 1 1 54 54 ASN H H 20 8.736 8.736 8.734 0.002 17705 497 1 2 . 1 1 55 55 LEU N N 21 115.267 115.267 122.464 -7.197 17705 498 1 2 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.715 -0.326 17705 499 1 2 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.548 -2.379 17705 500 1 2 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.750 -4.575 17705 501 1 2 . 1 1 55 55 LEU H H 21 7.661 7.661 8.695 -1.034 17705 502 1 2 . 1 1 56 56 THR N N 22 111.721 111.721 113.150 -1.429 17705 503 1 2 . 1 1 56 56 THR CB C 22 68.066 68.066 69.804 -1.738 17705 504 1 2 . 1 1 56 56 THR H H 22 8.377 8.377 8.303 0.074 17705 505 1 2 . 1 1 57 57 TYR N N 23 122.454 122.454 118.531 3.923 17705 506 1 2 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.214 0.094 17705 507 1 2 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.056 -2.479 17705 508 1 2 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.066 -1.673 17705 509 1 2 . 1 1 57 57 TYR H H 23 8.601 8.601 7.883 0.718 17705 510 1 2 . 1 1 58 58 ARG N N 24 114.958 114.958 118.318 -3.360 17705 511 1 2 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.275 -0.061 17705 512 1 2 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.141 -1.870 17705 513 1 2 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.907 -3.519 17705 514 1 2 . 1 1 58 58 ARG H H 24 7.366 7.366 7.958 -0.592 17705 515 1 2 . 1 1 59 59 THR N N 25 119.016 119.016 115.363 3.653 17705 516 1 2 . 1 1 59 59 THR HA H 25 4.037 4.037 4.127 -0.090 17705 517 1 2 . 1 1 59 59 THR CA C 25 62.031 62.031 64.762 -2.731 17705 518 1 2 . 1 1 59 59 THR CB C 25 65.705 65.705 68.851 -3.146 17705 519 1 2 . 1 1 59 59 THR H H 25 7.356 7.356 8.051 -0.695 17705 520 1 2 . 1 1 60 60 SER N N 26 124.554 124.554 114.168 10.386 17705 521 1 2 . 1 1 60 60 SER HA H 26 4.834 4.834 4.220 0.614 17705 522 1 2 . 1 1 60 60 SER CA C 26 52.978 52.978 58.633 -5.655 17705 523 1 2 . 1 1 60 60 SER CB C 26 61.637 61.637 62.857 -1.220 17705 524 1 2 . 1 1 60 60 SER H H 26 8.404 8.404 7.911 0.493 17705 525 1 2 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.304 -0.263 17705 526 1 2 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.371 -2.294 17705 527 1 2 . 1 1 62 62 ASP N N 28 115.821 115.821 117.165 -1.344 17705 528 1 2 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.504 -0.131 17705 529 1 2 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.289 -2.708 17705 530 1 2 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.458 -2.243 17705 531 1 2 . 1 1 62 62 ASP H H 28 8.022 8.022 8.590 -0.568 17705 532 1 2 . 1 1 63 63 THR N N 29 118.403 118.403 116.293 2.110 17705 533 1 2 . 1 1 63 63 THR HA H 29 3.898 3.898 4.113 -0.215 17705 534 1 2 . 1 1 63 63 THR CA C 29 63.704 63.704 66.322 -2.618 17705 535 1 2 . 1 1 63 63 THR CB C 29 65.555 65.555 68.683 -3.128 17705 536 1 2 . 1 1 63 63 THR H H 29 7.791 7.791 7.621 0.170 17705 537 1 2 . 1 1 64 64 LEU N N 30 119.247 119.247 121.440 -2.193 17705 538 1 2 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.199 -0.161 17705 539 1 2 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.836 -2.736 17705 540 1 2 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.568 -1.766 17705 541 1 2 . 1 1 64 64 LEU H H 30 7.607 7.607 7.757 -0.150 17705 542 1 2 . 1 1 65 65 ARG N N 31 118.798 118.798 119.384 -0.586 17705 543 1 2 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.106 -0.466 17705 544 1 2 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.012 -0.697 17705 545 1 2 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.822 -2.268 17705 546 1 2 . 1 1 65 65 ARG H H 31 8.547 8.547 8.045 0.502 17705 547 1 2 . 1 1 66 66 ARG N N 32 116.038 116.038 117.712 -1.674 17705 548 1 2 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.308 -0.246 17705 549 1 2 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.520 -1.834 17705 550 1 2 . 1 1 66 66 ARG H H 32 7.732 7.732 7.683 0.049 17705 551 1 2 . 1 1 67 67 VAL N N 33 115.825 115.825 118.204 -2.379 17705 552 1 2 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.893 -0.049 17705 553 1 2 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.742 -2.012 17705 554 1 2 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.322 -2.832 17705 555 1 2 . 1 1 67 67 VAL H H 33 7.837 7.837 7.674 0.163 17705 556 1 2 . 1 1 68 68 PHE N N 34 116.175 116.175 116.400 -0.225 17705 557 1 2 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.897 -0.400 17705 558 1 2 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.573 0.681 17705 559 1 2 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.199 -4.939 17705 560 1 2 . 1 1 68 68 PHE H H 34 8.194 8.194 7.710 0.484 17705 561 1 2 . 1 1 69 69 GLU N N 35 119.377 119.377 121.160 -1.783 17705 562 1 2 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.217 0.832 17705 563 1 2 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.010 -4.099 17705 564 1 2 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.806 -2.584 17705 565 1 2 . 1 1 69 69 GLU H H 35 8.669 8.669 8.859 -0.190 17705 566 1 2 . 1 1 70 70 LYS N N 36 118.371 118.371 118.708 -0.337 17705 567 1 2 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.033 -0.161 17705 568 1 2 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.372 -2.893 17705 569 1 2 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.480 -2.260 17705 570 1 2 . 1 1 70 70 LYS H H 36 6.866 6.866 8.248 -1.382 17705 571 1 2 . 1 1 71 71 TYR N N 37 115.053 115.053 118.161 -3.108 17705 572 1 2 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.355 -0.042 17705 573 1 2 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.762 -3.631 17705 574 1 2 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.077 -2.315 17705 575 1 2 . 1 1 71 71 TYR H H 37 7.637 7.637 7.764 -0.127 17705 576 1 2 . 1 1 72 72 GLY N N 38 104.732 104.732 105.834 -1.102 17705 577 1 2 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.354 -3.661 17705 578 1 2 . 1 1 72 72 GLY H H 38 7.353 7.353 7.944 -0.591 17705 579 1 2 . 1 1 73 73 ARG N N 39 115.823 115.823 119.160 -3.337 17705 580 1 2 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.471 -0.145 17705 581 1 2 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.200 -0.636 17705 582 1 2 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.013 -5.162 17705 583 1 2 . 1 1 73 73 ARG H H 39 7.975 7.975 8.124 -0.149 17705 584 1 2 . 1 1 74 74 VAL N N 40 129.287 129.287 120.034 9.253 17705 585 1 2 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.456 0.235 17705 586 1 2 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.022 -1.745 17705 587 1 2 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.514 -2.796 17705 588 1 2 . 1 1 74 74 VAL H H 40 8.826 8.826 8.414 0.412 17705 589 1 2 . 1 1 75 75 GLY N N 41 115.247 115.247 115.094 0.153 17705 590 1 2 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.022 -2.812 17705 591 1 2 . 1 1 75 75 GLY H H 41 9.023 9.023 8.043 0.980 17705 592 1 2 . 1 1 76 76 ASP N N 42 117.313 117.313 118.694 -1.381 17705 593 1 2 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.814 -0.167 17705 594 1 2 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.524 -2.943 17705 595 1 2 . 1 1 76 76 ASP H H 42 7.375 7.375 8.057 -0.682 17705 596 1 2 . 1 1 77 77 VAL N N 43 121.209 121.209 122.953 -1.744 17705 597 1 2 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.312 0.331 17705 598 1 2 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.820 -1.778 17705 599 1 2 . 1 1 77 77 VAL H H 43 7.799 7.799 8.469 -0.670 17705 600 1 2 . 1 1 78 78 TYR N N 44 127.478 127.478 126.461 1.017 17705 601 1 2 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.802 0.252 17705 602 1 2 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.461 -3.567 17705 603 1 2 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.064 -2.290 17705 604 1 2 . 1 1 78 78 TYR H H 44 9.056 9.056 8.066 0.990 17705 605 1 2 . 1 1 79 79 ILE N N 45 128.848 128.848 119.844 9.004 17705 606 1 2 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.270 0.127 17705 607 1 2 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.119 -1.464 17705 608 1 2 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.840 -3.470 17705 609 1 2 . 1 1 79 79 ILE H H 45 8.484 8.484 8.486 -0.002 17705 610 1 2 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.740 -0.681 17705 611 1 2 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.629 -2.868 17705 612 1 2 . 1 1 81 81 ARG N N 47 119.796 119.796 119.949 -0.153 17705 613 1 2 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.266 0.170 17705 614 1 2 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.712 -0.738 17705 615 1 2 . 1 1 81 81 ARG H H 47 8.131 8.131 8.061 0.070 17705 616 1 2 . 1 1 82 82 ASP N N 48 122.427 122.427 119.300 3.127 17705 617 1 2 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.423 0.014 17705 618 1 2 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.145 -3.497 17705 619 1 2 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.102 -0.748 17705 620 1 2 . 1 1 82 82 ASP H H 48 8.511 8.511 8.131 0.380 17705 621 1 2 . 1 1 83 83 ARG N N 49 124.150 124.150 118.414 5.736 17705 622 1 2 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.426 -0.427 17705 623 1 2 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.338 -3.680 17705 624 1 2 . 1 1 83 83 ARG H H 49 8.546 8.546 8.599 -0.053 17705 625 1 2 . 1 1 84 84 TYR N N 50 118.236 118.236 114.737 3.499 17705 626 1 2 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.084 -0.431 17705 627 1 2 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.771 -2.839 17705 628 1 2 . 1 1 84 84 TYR H H 50 8.376 8.376 7.535 0.841 17705 629 1 2 . 1 1 85 85 THR N N 51 111.445 111.445 114.514 -3.069 17705 630 1 2 . 1 1 85 85 THR HA H 51 4.306 4.306 4.583 -0.277 17705 631 1 2 . 1 1 85 85 THR CA C 51 59.280 59.280 60.370 -1.090 17705 632 1 2 . 1 1 85 85 THR CB C 51 67.748 67.748 70.551 -2.803 17705 633 1 2 . 1 1 85 85 THR H H 51 8.790 8.790 8.419 0.371 17705 634 1 2 . 1 1 86 86 LYS N N 52 115.778 115.778 119.053 -3.275 17705 635 1 2 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.622 -0.636 17705 636 1 2 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.649 -0.459 17705 637 1 2 . 1 1 86 86 LYS H H 52 7.947 7.947 8.520 -0.573 17705 638 1 2 . 1 1 87 87 GLU N N 53 118.931 118.931 117.450 1.481 17705 639 1 2 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.775 -0.453 17705 640 1 2 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.870 -3.509 17705 641 1 2 . 1 1 87 87 GLU H H 53 7.881 7.881 7.616 0.265 17705 642 1 2 . 1 1 88 88 SER N N 54 116.268 116.268 113.344 2.924 17705 643 1 2 . 1 1 88 88 SER HA H 54 4.324 4.324 4.720 -0.396 17705 644 1 2 . 1 1 88 88 SER CA C 54 55.543 55.543 56.045 -0.502 17705 645 1 2 . 1 1 88 88 SER CB C 54 61.291 61.291 64.286 -2.995 17705 646 1 2 . 1 1 88 88 SER H H 54 8.472 8.472 8.343 0.129 17705 647 1 2 . 1 1 89 89 ARG N N 55 121.084 121.084 122.173 -1.089 17705 648 1 2 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.403 -0.070 17705 649 1 2 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.708 -2.469 17705 650 1 2 . 1 1 89 89 ARG H H 55 8.121 8.121 8.721 -0.600 17705 651 1 2 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.879 -1.684 17705 652 1 2 . 1 1 90 90 GLY H H 56 8.334 8.334 7.925 0.409 17705 653 1 2 . 1 1 91 91 PHE N N 57 113.361 113.361 114.995 -1.634 17705 654 1 2 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.022 0.641 17705 655 1 2 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.492 -3.608 17705 656 1 2 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.385 -0.925 17705 657 1 2 . 1 1 91 91 PHE H H 57 6.980 6.980 7.275 -0.295 17705 658 1 2 . 1 1 92 92 ALA N N 58 118.350 118.350 123.393 -5.043 17705 659 1 2 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.086 0.730 17705 660 1 2 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.845 -3.676 17705 661 1 2 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.061 2.220 17705 662 1 2 . 1 1 92 92 ALA H H 58 8.854 8.854 8.154 0.700 17705 663 1 2 . 1 1 93 93 PHE N N 59 116.210 116.210 118.783 -2.573 17705 664 1 2 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.659 1.132 17705 665 1 2 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.624 -2.885 17705 666 1 2 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.083 -2.157 17705 667 1 2 . 1 1 93 93 PHE H H 59 9.011 9.011 7.927 1.084 17705 668 1 2 . 1 1 94 94 VAL N N 60 123.082 123.082 120.778 2.304 17705 669 1 2 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.363 -0.016 17705 670 1 2 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.751 -3.055 17705 671 1 2 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.894 -1.301 17705 672 1 2 . 1 1 94 94 VAL H H 60 8.878 8.878 7.575 1.303 17705 673 1 2 . 1 1 95 95 ARG N N 61 125.689 125.689 126.388 -0.699 17705 674 1 2 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.293 -0.061 17705 675 1 2 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.221 -2.036 17705 676 1 2 . 1 1 95 95 ARG H H 61 8.649 8.649 8.996 -0.347 17705 677 1 2 . 1 1 96 96 PHE N N 62 123.552 123.552 123.722 -0.170 17705 678 1 2 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.653 0.176 17705 679 1 2 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.498 -0.499 17705 680 1 2 . 1 1 96 96 PHE CB C 62 39.483 39.483 42.064 -2.581 17705 681 1 2 . 1 1 96 96 PHE H H 62 9.152 9.152 8.537 0.615 17705 682 1 2 . 1 1 97 97 HIS N N 63 119.487 119.487 119.077 0.410 17705 683 1 2 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.521 -0.120 17705 684 1 2 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.171 -2.754 17705 685 1 2 . 1 1 97 97 HIS H H 63 7.904 7.904 8.119 -0.215 17705 686 1 2 . 1 1 98 98 ASP N N 64 119.624 119.624 117.992 1.632 17705 687 1 2 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.767 0.265 17705 688 1 2 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.029 -2.791 17705 689 1 2 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.819 -1.249 17705 690 1 2 . 1 1 98 98 ASP H H 64 9.103 9.103 7.789 1.314 17705 691 1 2 . 1 1 99 99 LYS N N 65 127.479 127.479 126.497 0.982 17705 692 1 2 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.189 -0.329 17705 693 1 2 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.890 -1.766 17705 694 1 2 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.363 -2.078 17705 695 1 2 . 1 1 99 99 LYS H H 65 8.743 8.743 8.845 -0.102 17705 696 1 2 . 1 1 100 100 ARG N N 66 118.795 118.795 119.069 -0.274 17705 697 1 2 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.499 -0.436 17705 698 1 2 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.230 -2.170 17705 699 1 2 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.591 -2.818 17705 700 1 2 . 1 1 100 100 ARG H H 66 8.604 8.604 9.097 -0.493 17705 701 1 2 . 1 1 101 101 ASP N N 67 119.686 119.686 119.269 0.417 17705 702 1 2 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.660 -0.458 17705 703 1 2 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.302 -3.084 17705 704 1 2 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.529 -2.455 17705 705 1 2 . 1 1 101 101 ASP H H 67 7.105 7.105 7.968 -0.863 17705 706 1 2 . 1 1 102 102 ALA N N 68 119.709 119.709 123.039 -3.330 17705 707 1 2 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.692 -0.866 17705 708 1 2 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.839 -3.160 17705 709 1 2 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.547 -2.957 17705 710 1 2 . 1 1 102 102 ALA H H 68 6.848 6.848 7.993 -1.145 17705 711 1 2 . 1 1 103 103 GLU N N 69 117.431 117.431 120.077 -2.646 17705 712 1 2 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.904 -0.249 17705 713 1 2 . 1 1 103 103 GLU CA C 69 57.169 57.169 60.139 -2.970 17705 714 1 2 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.604 -3.104 17705 715 1 2 . 1 1 103 103 GLU H H 69 8.008 8.008 8.293 -0.285 17705 716 1 2 . 1 1 104 104 ASP N N 70 120.512 120.512 118.765 1.747 17705 717 1 2 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.394 -0.128 17705 718 1 2 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.550 -3.033 17705 719 1 2 . 1 1 104 104 ASP H H 70 8.022 8.022 7.662 0.360 17705 720 1 2 . 1 1 105 105 ALA N N 71 122.325 122.325 121.768 0.557 17705 721 1 2 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.571 0.214 17705 722 1 2 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.401 -2.667 17705 723 1 2 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.425 -1.277 17705 724 1 2 . 1 1 105 105 ALA H H 71 8.109 8.109 7.348 0.761 17705 725 1 2 . 1 1 106 106 MET N N 72 118.595 118.595 118.299 0.296 17705 726 1 2 . 1 1 106 106 MET HA H 72 3.657 3.657 4.083 -0.426 17705 727 1 2 . 1 1 106 106 MET CA C 72 57.163 57.163 58.772 -1.609 17705 728 1 2 . 1 1 106 106 MET CB C 72 30.248 30.248 32.835 -2.587 17705 729 1 2 . 1 1 106 106 MET H H 72 8.293 8.293 8.204 0.089 17705 730 1 2 . 1 1 107 107 ASP N N 73 117.126 117.126 119.942 -2.816 17705 731 1 2 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.485 -0.161 17705 732 1 2 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.145 -2.097 17705 733 1 2 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.180 -1.832 17705 734 1 2 . 1 1 107 107 ASP H H 73 7.784 7.784 8.192 -0.408 17705 735 1 2 . 1 1 108 108 ALA N N 74 117.971 117.971 117.779 0.192 17705 736 1 2 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.467 -0.356 17705 737 1 2 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.254 -0.880 17705 738 1 2 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.351 -2.698 17705 739 1 2 . 1 1 108 108 ALA H H 74 7.366 7.366 7.417 -0.051 17705 740 1 2 . 1 1 109 109 MET N N 75 112.248 112.248 114.954 -2.706 17705 741 1 2 . 1 1 109 109 MET HA H 75 4.756 4.756 4.544 0.212 17705 742 1 2 . 1 1 109 109 MET CA C 75 50.696 50.696 54.414 -3.718 17705 743 1 2 . 1 1 109 109 MET H H 75 8.077 8.077 7.450 0.627 17705 744 1 2 . 1 1 110 110 ASP N N 76 120.144 120.144 121.559 -1.415 17705 745 1 2 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.414 -0.001 17705 746 1 2 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.017 -1.087 17705 747 1 2 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.954 -2.374 17705 748 1 2 . 1 1 110 110 ASP H H 76 7.915 7.915 7.996 -0.081 17705 749 1 2 . 1 1 111 111 GLY N N 77 117.810 117.810 114.465 3.345 17705 750 1 2 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.771 -2.923 17705 751 1 2 . 1 1 111 111 GLY H H 77 8.680 8.680 8.686 -0.006 17705 752 1 2 . 1 1 112 112 ALA N N 78 123.748 123.748 121.805 1.943 17705 753 1 2 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.316 0.011 17705 754 1 2 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.483 -2.515 17705 755 1 2 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.329 -1.850 17705 756 1 2 . 1 1 112 112 ALA H H 78 7.918 7.918 7.624 0.294 17705 757 1 2 . 1 1 113 113 VAL N N 79 118.622 118.622 118.280 0.342 17705 758 1 2 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.880 0.760 17705 759 1 2 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.025 -1.403 17705 760 1 2 . 1 1 113 113 VAL H H 79 8.091 8.091 7.936 0.155 17705 761 1 2 . 1 1 114 114 LEU N N 80 129.451 129.451 123.408 6.043 17705 762 1 2 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.178 0.367 17705 763 1 2 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.893 -4.945 17705 764 1 2 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.861 0.819 17705 765 1 2 . 1 1 114 114 LEU H H 80 8.875 8.875 8.464 0.411 17705 766 1 2 . 1 1 115 115 ASP N N 81 129.610 129.610 116.816 12.794 17705 767 1 2 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.776 -0.543 17705 768 1 2 . 1 1 115 115 ASP CA C 81 52.275 52.275 53.864 -1.589 17705 769 1 2 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.306 -5.048 17705 770 1 2 . 1 1 115 115 ASP H H 81 9.445 9.445 7.952 1.493 17705 771 1 2 . 1 1 116 116 GLY N N 82 100.657 100.657 107.537 -6.880 17705 772 1 2 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.117 -2.232 17705 773 1 2 . 1 1 116 116 GLY H H 82 8.008 8.008 8.254 -0.246 17705 774 1 2 . 1 1 117 117 ARG N N 83 120.179 120.179 118.399 1.780 17705 775 1 2 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.651 -0.105 17705 776 1 2 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.058 -5.110 17705 777 1 2 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.743 -1.175 17705 778 1 2 . 1 1 117 117 ARG H H 83 7.499 7.499 8.222 -0.723 17705 779 1 2 . 1 1 118 118 GLU N N 84 121.274 121.274 119.325 1.949 17705 780 1 2 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.240 0.079 17705 781 1 2 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.322 -3.305 17705 782 1 2 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.819 -2.630 17705 783 1 2 . 1 1 118 118 GLU H H 84 8.369 8.369 8.129 0.240 17705 784 1 2 . 1 1 119 119 LEU N N 85 128.104 128.104 122.809 5.295 17705 785 1 2 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.085 0.465 17705 786 1 2 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.375 -4.589 17705 787 1 2 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.492 -1.605 17705 788 1 2 . 1 1 119 119 LEU H H 85 9.356 9.356 8.501 0.855 17705 789 1 2 . 1 1 120 120 ARG N N 86 121.349 121.349 121.515 -0.166 17705 790 1 2 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.103 0.051 17705 791 1 2 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.903 -2.253 17705 792 1 2 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.381 -3.806 17705 793 1 2 . 1 1 120 120 ARG H H 86 7.677 7.677 8.131 -0.454 17705 794 1 2 . 1 1 121 121 VAL N N 87 126.888 126.888 122.556 4.332 17705 795 1 2 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.898 0.243 17705 796 1 2 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.502 -1.977 17705 797 1 2 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.764 -2.831 17705 798 1 2 . 1 1 121 121 VAL H H 87 9.435 9.435 8.843 0.592 17705 799 1 2 . 1 1 122 122 GLN N N 88 122.184 122.184 121.742 0.442 17705 800 1 2 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.745 0.190 17705 801 1 2 . 1 1 122 122 GLN CA C 88 50.990 50.990 54.146 -3.156 17705 802 1 2 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.021 -0.661 17705 803 1 2 . 1 1 122 122 GLN H H 88 8.520 8.520 8.956 -0.436 17705 804 1 2 . 1 1 123 123 MET N N 89 122.187 122.187 120.306 1.881 17705 805 1 2 . 1 1 123 123 MET HA H 89 4.660 4.660 4.353 0.307 17705 806 1 2 . 1 1 123 123 MET CB C 89 29.398 29.398 31.886 -2.488 17705 807 1 2 . 1 1 123 123 MET H H 89 8.699 8.699 9.009 -0.310 17705 808 1 2 . 1 1 124 124 ALA N N 90 127.406 127.406 125.658 1.748 17705 809 1 2 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.279 0.170 17705 810 1 2 . 1 1 124 124 ALA CA C 90 49.582 49.582 53.065 -3.482 17705 811 1 2 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.366 -2.568 17705 812 1 2 . 1 1 124 124 ALA H H 90 8.592 8.592 8.846 -0.254 17705 813 1 2 . 1 1 125 125 ARG N N 91 119.981 119.981 113.747 6.234 17705 814 1 2 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.967 0.352 17705 815 1 2 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.087 -3.869 17705 816 1 2 . 1 1 125 125 ARG CB C 91 28.634 28.634 28.916 -0.282 17705 817 1 2 . 1 1 125 125 ARG H H 91 8.299 8.299 8.067 0.232 17705 818 1 2 . 1 1 126 126 TYR N N 92 121.757 121.757 117.627 4.130 17705 819 1 2 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.516 -0.050 17705 820 1 2 . 1 1 126 126 TYR CA C 92 55.090 55.090 58.565 -3.475 17705 821 1 2 . 1 1 126 126 TYR CB C 92 36.470 36.470 39.398 -2.928 17705 822 1 2 . 1 1 126 126 TYR H H 92 8.182 8.182 7.819 0.363 17705 823 1 2 . 1 1 127 127 GLY N N 93 110.707 110.707 105.770 4.937 17705 824 1 2 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.073 -2.731 17705 825 1 2 . 1 1 127 127 GLY H H 93 7.969 7.969 8.392 -0.423 17705 826 1 2 . 1 1 128 128 ARG N N 94 121.504 121.504 122.078 -0.574 17705 827 1 2 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.536 -0.071 17705 828 1 2 . 1 1 128 128 ARG CA C 94 51.049 51.049 54.979 -3.930 17705 829 1 2 . 1 1 128 128 ARG H H 94 7.930 7.930 8.357 -0.427 17705 830 1 2 . 1 1 131 131 ASP N N 97 120.004 120.004 117.556 2.448 17705 831 1 2 . 1 1 131 131 ASP H H 97 8.289 8.289 8.257 0.032 17705 832 1 2 . 1 1 132 132 SER N N 98 115.594 115.594 114.011 1.583 17705 833 1 2 . 1 1 132 132 SER HA H 98 4.348 4.348 4.872 -0.524 17705 834 1 2 . 1 1 132 132 SER CB C 98 61.181 61.181 65.049 -3.868 17705 835 1 2 . 1 1 132 132 SER H H 98 8.128 8.128 8.019 0.109 17705 836 1 2 . 1 1 133 133 HIS CB C 99 27.069 27.069 31.480 -4.412 17705 837 1 2 . 1 1 133 133 HIS H H 99 8.290 8.290 8.056 0.234 17705 838 1 2 . 1 1 134 134 HIS N N 100 120.371 120.371 117.811 2.560 17705 839 1 2 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.848 -3.797 17705 840 1 2 . 1 1 134 134 HIS H H 100 7.251 7.251 8.730 -1.479 17705 841 1 3 . 1 1 36 36 SER N N 2 116.240 116.240 116.303 -0.063 17705 842 1 3 . 1 1 36 36 SER HA H 2 4.389 4.389 4.873 -0.484 17705 843 1 3 . 1 1 36 36 SER CB C 2 61.141 61.141 64.161 -3.020 17705 844 1 3 . 1 1 36 36 SER H H 2 8.111 8.111 8.686 -0.575 17705 845 1 3 . 1 1 37 37 TYR N N 3 121.776 121.776 117.706 4.070 17705 846 1 3 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.134 -0.589 17705 847 1 3 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.177 -1.882 17705 848 1 3 . 1 1 37 37 TYR CB C 3 36.113 36.113 40.071 -3.958 17705 849 1 3 . 1 1 37 37 TYR H H 3 8.062 8.062 7.962 0.100 17705 850 1 3 . 1 1 38 38 GLY N N 4 110.102 110.102 106.303 3.799 17705 851 1 3 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.914 -2.336 17705 852 1 3 . 1 1 38 38 GLY H H 4 8.221 8.221 8.299 -0.078 17705 853 1 3 . 1 1 39 39 ARG N N 5 121.307 121.307 121.029 0.278 17705 854 1 3 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.448 0.134 17705 855 1 3 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.586 -4.566 17705 856 1 3 . 1 1 39 39 ARG CB C 5 27.731 27.731 29.730 -1.999 17705 857 1 3 . 1 1 39 39 ARG H H 5 7.967 7.967 8.218 -0.251 17705 858 1 3 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.323 0.008 17705 859 1 3 . 1 1 42 42 PRO CA C 8 60.519 60.519 64.642 -4.123 17705 860 1 3 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.145 -2.855 17705 861 1 3 . 1 1 43 43 ASP N N 9 119.234 119.234 113.603 5.631 17705 862 1 3 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.682 -0.140 17705 863 1 3 . 1 1 43 43 ASP CB C 9 38.419 38.419 43.391 -4.971 17705 864 1 3 . 1 1 43 43 ASP H H 9 8.260 8.260 8.453 -0.193 17705 865 1 3 . 1 1 44 44 VAL N N 10 119.005 119.005 116.000 3.005 17705 866 1 3 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.721 0.310 17705 867 1 3 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.619 -3.551 17705 868 1 3 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.294 -0.446 17705 869 1 3 . 1 1 44 44 VAL H H 10 7.903 7.903 8.135 -0.232 17705 870 1 3 . 1 1 45 45 GLU N N 11 122.556 122.556 120.309 2.247 17705 871 1 3 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.222 -0.090 17705 872 1 3 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.657 -2.899 17705 873 1 3 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.162 -1.952 17705 874 1 3 . 1 1 45 45 GLU H H 11 8.304 8.304 8.784 -0.480 17705 875 1 3 . 1 1 46 46 GLY N N 12 108.250 108.250 106.221 2.029 17705 876 1 3 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.062 -2.291 17705 877 1 3 . 1 1 46 46 GLY H H 12 8.187 8.187 8.029 0.158 17705 878 1 3 . 1 1 47 47 MET N N 13 118.678 118.678 118.190 0.488 17705 879 1 3 . 1 1 47 47 MET HA H 13 4.606 4.606 4.789 -0.183 17705 880 1 3 . 1 1 47 47 MET CB C 13 30.713 30.713 36.492 -5.779 17705 881 1 3 . 1 1 47 47 MET H H 13 7.798 7.798 7.460 0.338 17705 882 1 3 . 1 1 48 48 THR N N 14 116.971 116.971 114.748 2.223 17705 883 1 3 . 1 1 48 48 THR HA H 14 4.469 4.469 4.701 -0.232 17705 884 1 3 . 1 1 48 48 THR CA C 14 60.072 60.072 62.719 -2.647 17705 885 1 3 . 1 1 48 48 THR CB C 14 67.533 67.533 71.467 -3.934 17705 886 1 3 . 1 1 48 48 THR H H 14 8.693 8.693 9.100 -0.407 17705 887 1 3 . 1 1 49 49 SER N N 15 121.549 121.549 119.694 1.855 17705 888 1 3 . 1 1 49 49 SER HA H 15 5.369 5.369 5.165 0.204 17705 889 1 3 . 1 1 49 49 SER CA C 15 55.530 55.530 60.196 -4.666 17705 890 1 3 . 1 1 49 49 SER CB C 15 62.465 62.465 64.046 -1.581 17705 891 1 3 . 1 1 49 49 SER H H 15 8.813 8.813 8.249 0.564 17705 892 1 3 . 1 1 50 50 LEU N N 16 122.760 122.760 125.423 -2.663 17705 893 1 3 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.493 0.622 17705 894 1 3 . 1 1 50 50 LEU CA C 16 50.197 50.197 54.047 -3.850 17705 895 1 3 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.804 -3.183 17705 896 1 3 . 1 1 50 50 LEU H H 16 9.287 9.287 8.239 1.048 17705 897 1 3 . 1 1 51 51 LYS N N 17 123.384 123.384 123.352 0.032 17705 898 1 3 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.299 -0.505 17705 899 1 3 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.427 -1.846 17705 900 1 3 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.973 -3.720 17705 901 1 3 . 1 1 51 51 LYS H H 17 9.240 9.240 8.899 0.341 17705 902 1 3 . 1 1 52 52 VAL N N 18 129.496 129.496 125.519 3.977 17705 903 1 3 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.624 0.141 17705 904 1 3 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.772 -2.542 17705 905 1 3 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.807 -5.054 17705 906 1 3 . 1 1 52 52 VAL H H 18 9.194 9.194 7.947 1.247 17705 907 1 3 . 1 1 53 53 ASP N N 19 126.148 126.148 124.550 1.598 17705 908 1 3 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.117 0.181 17705 909 1 3 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.391 -2.328 17705 910 1 3 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.909 -2.176 17705 911 1 3 . 1 1 53 53 ASP H H 19 9.382 9.382 8.871 0.511 17705 912 1 3 . 1 1 54 54 ASN N N 20 113.840 113.840 117.060 -3.220 17705 913 1 3 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.629 -0.171 17705 914 1 3 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.256 -3.129 17705 915 1 3 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.349 -3.299 17705 916 1 3 . 1 1 54 54 ASN H H 20 8.736 8.736 8.610 0.126 17705 917 1 3 . 1 1 55 55 LEU N N 21 115.267 115.267 121.372 -6.105 17705 918 1 3 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.619 -0.230 17705 919 1 3 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.319 -2.150 17705 920 1 3 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.076 -3.901 17705 921 1 3 . 1 1 55 55 LEU H H 21 7.661 7.661 8.493 -0.832 17705 922 1 3 . 1 1 56 56 THR N N 22 111.721 111.721 112.944 -1.223 17705 923 1 3 . 1 1 56 56 THR CB C 22 68.066 68.066 69.767 -1.701 17705 924 1 3 . 1 1 56 56 THR H H 22 8.377 8.377 8.485 -0.108 17705 925 1 3 . 1 1 57 57 TYR N N 23 122.454 122.454 118.390 4.064 17705 926 1 3 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.198 0.110 17705 927 1 3 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.295 -2.718 17705 928 1 3 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.600 -2.207 17705 929 1 3 . 1 1 57 57 TYR H H 23 8.601 8.601 7.946 0.655 17705 930 1 3 . 1 1 58 58 ARG N N 24 114.958 114.958 119.500 -4.542 17705 931 1 3 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.267 -0.053 17705 932 1 3 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.990 -2.719 17705 933 1 3 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.899 -3.511 17705 934 1 3 . 1 1 58 58 ARG H H 24 7.366 7.366 8.078 -0.712 17705 935 1 3 . 1 1 59 59 THR N N 25 119.016 119.016 115.991 3.025 17705 936 1 3 . 1 1 59 59 THR HA H 25 4.037 4.037 4.104 -0.067 17705 937 1 3 . 1 1 59 59 THR CA C 25 62.031 62.031 65.190 -3.159 17705 938 1 3 . 1 1 59 59 THR CB C 25 65.705 65.705 68.870 -3.164 17705 939 1 3 . 1 1 59 59 THR H H 25 7.356 7.356 8.073 -0.717 17705 940 1 3 . 1 1 60 60 SER N N 26 124.554 124.554 113.580 10.974 17705 941 1 3 . 1 1 60 60 SER HA H 26 4.834 4.834 4.235 0.599 17705 942 1 3 . 1 1 60 60 SER CA C 26 52.978 52.978 59.133 -6.155 17705 943 1 3 . 1 1 60 60 SER CB C 26 61.637 61.637 63.035 -1.398 17705 944 1 3 . 1 1 60 60 SER H H 26 8.404 8.404 7.793 0.611 17705 945 1 3 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.252 -0.211 17705 946 1 3 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.205 -2.128 17705 947 1 3 . 1 1 62 62 ASP N N 28 115.821 115.821 118.570 -2.749 17705 948 1 3 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.470 -0.097 17705 949 1 3 . 1 1 62 62 ASP CA C 28 54.581 54.581 58.019 -3.438 17705 950 1 3 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.077 -1.862 17705 951 1 3 . 1 1 62 62 ASP H H 28 8.022 8.022 8.689 -0.667 17705 952 1 3 . 1 1 63 63 THR N N 29 118.403 118.403 117.217 1.186 17705 953 1 3 . 1 1 63 63 THR HA H 29 3.898 3.898 4.136 -0.238 17705 954 1 3 . 1 1 63 63 THR CA C 29 63.704 63.704 66.282 -2.578 17705 955 1 3 . 1 1 63 63 THR CB C 29 65.555 65.555 68.650 -3.095 17705 956 1 3 . 1 1 63 63 THR H H 29 7.791 7.791 7.699 0.092 17705 957 1 3 . 1 1 64 64 LEU N N 30 119.247 119.247 121.218 -1.971 17705 958 1 3 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.177 -0.139 17705 959 1 3 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.839 -2.739 17705 960 1 3 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.568 -1.766 17705 961 1 3 . 1 1 64 64 LEU H H 30 7.607 7.607 7.631 -0.024 17705 962 1 3 . 1 1 65 65 ARG N N 31 118.798 118.798 119.303 -0.505 17705 963 1 3 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.113 -0.473 17705 964 1 3 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.017 -0.702 17705 965 1 3 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.833 -2.279 17705 966 1 3 . 1 1 65 65 ARG H H 31 8.547 8.547 7.971 0.576 17705 967 1 3 . 1 1 66 66 ARG N N 32 116.038 116.038 117.643 -1.605 17705 968 1 3 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.327 -0.265 17705 969 1 3 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.512 -1.826 17705 970 1 3 . 1 1 66 66 ARG H H 32 7.732 7.732 7.654 0.078 17705 971 1 3 . 1 1 67 67 VAL N N 33 115.825 115.825 118.267 -2.442 17705 972 1 3 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.896 -0.052 17705 973 1 3 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.772 -2.042 17705 974 1 3 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.296 -2.806 17705 975 1 3 . 1 1 67 67 VAL H H 33 7.837 7.837 7.726 0.111 17705 976 1 3 . 1 1 68 68 PHE N N 34 116.175 116.175 116.394 -0.219 17705 977 1 3 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.905 -0.408 17705 978 1 3 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.555 0.699 17705 979 1 3 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.243 -4.983 17705 980 1 3 . 1 1 68 68 PHE H H 34 8.194 8.194 7.678 0.516 17705 981 1 3 . 1 1 69 69 GLU N N 35 119.377 119.377 121.217 -1.840 17705 982 1 3 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.222 0.827 17705 983 1 3 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.017 -4.106 17705 984 1 3 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.814 -2.592 17705 985 1 3 . 1 1 69 69 GLU H H 35 8.669 8.669 8.894 -0.225 17705 986 1 3 . 1 1 70 70 LYS N N 36 118.371 118.371 118.755 -0.384 17705 987 1 3 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.035 -0.163 17705 988 1 3 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.384 -2.905 17705 989 1 3 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.479 -2.259 17705 990 1 3 . 1 1 70 70 LYS H H 36 6.866 6.866 8.253 -1.387 17705 991 1 3 . 1 1 71 71 TYR N N 37 115.053 115.053 118.206 -3.153 17705 992 1 3 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.350 -0.037 17705 993 1 3 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.805 -3.674 17705 994 1 3 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.078 -2.316 17705 995 1 3 . 1 1 71 71 TYR H H 37 7.637 7.637 7.791 -0.154 17705 996 1 3 . 1 1 72 72 GLY N N 38 104.732 104.732 105.793 -1.061 17705 997 1 3 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.351 -3.658 17705 998 1 3 . 1 1 72 72 GLY H H 38 7.353 7.353 7.973 -0.621 17705 999 1 3 . 1 1 73 73 ARG N N 39 115.823 115.823 119.035 -3.212 17705 1000 1 3 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.467 -0.141 17705 1001 1 3 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.834 -0.270 17705 1002 1 3 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.072 -5.221 17705 1003 1 3 . 1 1 73 73 ARG H H 39 7.975 7.975 8.164 -0.189 17705 1004 1 3 . 1 1 74 74 VAL N N 40 129.287 129.287 120.485 8.802 17705 1005 1 3 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.479 0.212 17705 1006 1 3 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.803 -1.526 17705 1007 1 3 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.276 -2.558 17705 1008 1 3 . 1 1 74 74 VAL H H 40 8.826 8.826 8.492 0.334 17705 1009 1 3 . 1 1 75 75 GLY N N 41 115.247 115.247 114.868 0.379 17705 1010 1 3 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.949 -2.739 17705 1011 1 3 . 1 1 75 75 GLY H H 41 9.023 9.023 8.143 0.880 17705 1012 1 3 . 1 1 76 76 ASP N N 42 117.313 117.313 118.785 -1.472 17705 1013 1 3 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.838 -0.191 17705 1014 1 3 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.571 -2.990 17705 1015 1 3 . 1 1 76 76 ASP H H 42 7.375 7.375 8.120 -0.745 17705 1016 1 3 . 1 1 77 77 VAL N N 43 121.209 121.209 122.927 -1.718 17705 1017 1 3 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.330 0.313 17705 1018 1 3 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.828 -1.786 17705 1019 1 3 . 1 1 77 77 VAL H H 43 7.799 7.799 8.487 -0.688 17705 1020 1 3 . 1 1 78 78 TYR N N 44 127.478 127.478 126.429 1.049 17705 1021 1 3 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.812 0.242 17705 1022 1 3 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.471 -3.579 17705 1023 1 3 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.078 -2.304 17705 1024 1 3 . 1 1 78 78 TYR H H 44 9.056 9.056 8.092 0.964 17705 1025 1 3 . 1 1 79 79 ILE N N 45 128.848 128.848 119.835 9.013 17705 1026 1 3 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.281 0.116 17705 1027 1 3 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.143 -1.488 17705 1028 1 3 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.905 -3.535 17705 1029 1 3 . 1 1 79 79 ILE H H 45 8.484 8.484 8.484 -0.000 17705 1030 1 3 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.640 -0.581 17705 1031 1 3 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.222 -2.461 17705 1032 1 3 . 1 1 81 81 ARG N N 47 119.796 119.796 119.670 0.126 17705 1033 1 3 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.136 0.300 17705 1034 1 3 . 1 1 81 81 ARG CB C 47 29.974 29.974 31.028 -1.054 17705 1035 1 3 . 1 1 81 81 ARG H H 47 8.131 8.131 7.878 0.253 17705 1036 1 3 . 1 1 82 82 ASP N N 48 122.427 122.427 119.487 2.940 17705 1037 1 3 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.389 0.048 17705 1038 1 3 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.239 -3.591 17705 1039 1 3 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.737 -1.383 17705 1040 1 3 . 1 1 82 82 ASP H H 48 8.511 8.511 7.894 0.617 17705 1041 1 3 . 1 1 83 83 ARG N N 49 124.150 124.150 119.059 5.091 17705 1042 1 3 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.432 -0.433 17705 1043 1 3 . 1 1 83 83 ARG CB C 49 27.658 27.658 29.914 -2.256 17705 1044 1 3 . 1 1 83 83 ARG H H 49 8.546 8.546 8.283 0.263 17705 1045 1 3 . 1 1 84 84 TYR N N 50 118.236 118.236 117.607 0.629 17705 1046 1 3 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.941 -0.288 17705 1047 1 3 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.871 -2.939 17705 1048 1 3 . 1 1 84 84 TYR H H 50 8.376 8.376 8.367 0.009 17705 1049 1 3 . 1 1 85 85 THR N N 51 111.445 111.445 112.008 -0.563 17705 1050 1 3 . 1 1 85 85 THR HA H 51 4.306 4.306 4.612 -0.306 17705 1051 1 3 . 1 1 85 85 THR CA C 51 59.280 59.280 60.653 -1.373 17705 1052 1 3 . 1 1 85 85 THR CB C 51 67.748 67.748 71.614 -3.866 17705 1053 1 3 . 1 1 85 85 THR H H 51 8.790 8.790 7.340 1.450 17705 1054 1 3 . 1 1 86 86 LYS N N 52 115.778 115.778 120.081 -4.303 17705 1055 1 3 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.592 -0.606 17705 1056 1 3 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.634 -0.444 17705 1057 1 3 . 1 1 86 86 LYS H H 52 7.947 7.947 8.662 -0.715 17705 1058 1 3 . 1 1 87 87 GLU N N 53 118.931 118.931 116.863 2.068 17705 1059 1 3 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.777 -0.455 17705 1060 1 3 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.852 -3.491 17705 1061 1 3 . 1 1 87 87 GLU H H 53 7.881 7.881 7.597 0.284 17705 1062 1 3 . 1 1 88 88 SER N N 54 116.268 116.268 113.377 2.891 17705 1063 1 3 . 1 1 88 88 SER HA H 54 4.324 4.324 4.757 -0.433 17705 1064 1 3 . 1 1 88 88 SER CA C 54 55.543 55.543 55.972 -0.429 17705 1065 1 3 . 1 1 88 88 SER CB C 54 61.291 61.291 64.667 -3.376 17705 1066 1 3 . 1 1 88 88 SER H H 54 8.472 8.472 8.318 0.154 17705 1067 1 3 . 1 1 89 89 ARG N N 55 121.084 121.084 121.031 0.053 17705 1068 1 3 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.340 -0.007 17705 1069 1 3 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.244 -2.005 17705 1070 1 3 . 1 1 89 89 ARG H H 55 8.121 8.121 8.586 -0.465 17705 1071 1 3 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.743 -1.548 17705 1072 1 3 . 1 1 90 90 GLY H H 56 8.334 8.334 7.939 0.395 17705 1073 1 3 . 1 1 91 91 PHE N N 57 113.361 113.361 115.196 -1.835 17705 1074 1 3 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.059 0.604 17705 1075 1 3 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.375 -3.491 17705 1076 1 3 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.375 -0.915 17705 1077 1 3 . 1 1 91 91 PHE H H 57 6.980 6.980 7.273 -0.293 17705 1078 1 3 . 1 1 92 92 ALA N N 58 118.350 118.350 122.905 -4.555 17705 1079 1 3 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.051 0.765 17705 1080 1 3 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.756 -3.587 17705 1081 1 3 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.151 2.130 17705 1082 1 3 . 1 1 92 92 ALA H H 58 8.854 8.854 8.131 0.723 17705 1083 1 3 . 1 1 93 93 PHE N N 59 116.210 116.210 118.743 -2.533 17705 1084 1 3 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.680 1.111 17705 1085 1 3 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.581 -2.842 17705 1086 1 3 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.108 -2.182 17705 1087 1 3 . 1 1 93 93 PHE H H 59 9.011 9.011 7.986 1.025 17705 1088 1 3 . 1 1 94 94 VAL N N 60 123.082 123.082 121.773 1.309 17705 1089 1 3 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.377 -0.030 17705 1090 1 3 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.696 -3.000 17705 1091 1 3 . 1 1 94 94 VAL CB C 60 31.593 31.593 33.013 -1.420 17705 1092 1 3 . 1 1 94 94 VAL H H 60 8.878 8.878 7.601 1.277 17705 1093 1 3 . 1 1 95 95 ARG N N 61 125.689 125.689 126.288 -0.599 17705 1094 1 3 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.335 -0.103 17705 1095 1 3 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.273 -2.088 17705 1096 1 3 . 1 1 95 95 ARG H H 61 8.649 8.649 9.035 -0.386 17705 1097 1 3 . 1 1 96 96 PHE N N 62 123.552 123.552 123.701 -0.149 17705 1098 1 3 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.733 0.096 17705 1099 1 3 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.382 -0.383 17705 1100 1 3 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.667 -2.184 17705 1101 1 3 . 1 1 96 96 PHE H H 62 9.152 9.152 8.582 0.570 17705 1102 1 3 . 1 1 97 97 HIS N N 63 119.487 119.487 119.057 0.430 17705 1103 1 3 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.665 -0.264 17705 1104 1 3 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.357 -2.940 17705 1105 1 3 . 1 1 97 97 HIS H H 63 7.904 7.904 8.056 -0.152 17705 1106 1 3 . 1 1 98 98 ASP N N 64 119.624 119.624 119.852 -0.228 17705 1107 1 3 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.924 0.108 17705 1108 1 3 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.232 -2.994 17705 1109 1 3 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.714 -1.144 17705 1110 1 3 . 1 1 98 98 ASP H H 64 9.103 9.103 7.924 1.179 17705 1111 1 3 . 1 1 99 99 LYS N N 65 127.479 127.479 125.898 1.581 17705 1112 1 3 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.150 -0.290 17705 1113 1 3 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.814 -1.690 17705 1114 1 3 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.282 -1.997 17705 1115 1 3 . 1 1 99 99 LYS H H 65 8.743 8.743 8.843 -0.100 17705 1116 1 3 . 1 1 100 100 ARG N N 66 118.795 118.795 119.005 -0.210 17705 1117 1 3 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.389 -0.326 17705 1118 1 3 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.681 -2.621 17705 1119 1 3 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.536 -2.763 17705 1120 1 3 . 1 1 100 100 ARG H H 66 8.604 8.604 8.938 -0.334 17705 1121 1 3 . 1 1 101 101 ASP N N 67 119.686 119.686 119.141 0.545 17705 1122 1 3 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.667 -0.465 17705 1123 1 3 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.143 -2.925 17705 1124 1 3 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.590 -2.516 17705 1125 1 3 . 1 1 101 101 ASP H H 67 7.105 7.105 7.933 -0.828 17705 1126 1 3 . 1 1 102 102 ALA N N 68 119.709 119.709 123.125 -3.416 17705 1127 1 3 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.687 -0.861 17705 1128 1 3 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.775 -3.096 17705 1129 1 3 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.550 -2.961 17705 1130 1 3 . 1 1 102 102 ALA H H 68 6.848 6.848 7.918 -1.070 17705 1131 1 3 . 1 1 103 103 GLU N N 69 117.431 117.431 119.937 -2.506 17705 1132 1 3 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.893 -0.238 17705 1133 1 3 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.986 -2.817 17705 1134 1 3 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.561 -3.061 17705 1135 1 3 . 1 1 103 103 GLU H H 69 8.008 8.008 8.441 -0.433 17705 1136 1 3 . 1 1 104 104 ASP N N 70 120.512 120.512 119.083 1.429 17705 1137 1 3 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.424 -0.158 17705 1138 1 3 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.498 -2.981 17705 1139 1 3 . 1 1 104 104 ASP H H 70 8.022 8.022 7.707 0.315 17705 1140 1 3 . 1 1 105 105 ALA N N 71 122.325 122.325 121.981 0.344 17705 1141 1 3 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.570 0.215 17705 1142 1 3 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.444 -2.710 17705 1143 1 3 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.350 -1.202 17705 1144 1 3 . 1 1 105 105 ALA H H 71 8.109 8.109 7.362 0.747 17705 1145 1 3 . 1 1 106 106 MET N N 72 118.595 118.595 118.494 0.101 17705 1146 1 3 . 1 1 106 106 MET HA H 72 3.657 3.657 4.080 -0.423 17705 1147 1 3 . 1 1 106 106 MET CA C 72 57.163 57.163 58.763 -1.600 17705 1148 1 3 . 1 1 106 106 MET CB C 72 30.248 30.248 32.745 -2.497 17705 1149 1 3 . 1 1 106 106 MET H H 72 8.293 8.293 8.097 0.196 17705 1150 1 3 . 1 1 107 107 ASP N N 73 117.126 117.126 118.991 -1.865 17705 1151 1 3 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.660 -0.336 17705 1152 1 3 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.321 -2.273 17705 1153 1 3 . 1 1 107 107 ASP CB C 73 38.348 38.348 41.052 -2.704 17705 1154 1 3 . 1 1 107 107 ASP H H 73 7.784 7.784 8.151 -0.367 17705 1155 1 3 . 1 1 108 108 ALA N N 74 117.971 117.971 117.240 0.731 17705 1156 1 3 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.678 -0.567 17705 1157 1 3 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.116 -0.742 17705 1158 1 3 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.009 -2.356 17705 1159 1 3 . 1 1 108 108 ALA H H 74 7.366 7.366 7.399 -0.033 17705 1160 1 3 . 1 1 109 109 MET N N 75 112.248 112.248 114.950 -2.702 17705 1161 1 3 . 1 1 109 109 MET HA H 75 4.756 4.756 4.537 0.219 17705 1162 1 3 . 1 1 109 109 MET CA C 75 50.696 50.696 54.346 -3.650 17705 1163 1 3 . 1 1 109 109 MET H H 75 8.077 8.077 7.440 0.637 17705 1164 1 3 . 1 1 110 110 ASP N N 76 120.144 120.144 121.248 -1.104 17705 1165 1 3 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.373 0.040 17705 1166 1 3 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.069 -1.139 17705 1167 1 3 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.095 -2.515 17705 1168 1 3 . 1 1 110 110 ASP H H 76 7.915 7.915 7.940 -0.025 17705 1169 1 3 . 1 1 111 111 GLY N N 77 117.810 117.810 114.491 3.319 17705 1170 1 3 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.825 -2.977 17705 1171 1 3 . 1 1 111 111 GLY H H 77 8.680 8.680 8.708 -0.028 17705 1172 1 3 . 1 1 112 112 ALA N N 78 123.748 123.748 121.410 2.338 17705 1173 1 3 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.218 0.109 17705 1174 1 3 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.575 -2.607 17705 1175 1 3 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.442 -1.963 17705 1176 1 3 . 1 1 112 112 ALA H H 78 7.918 7.918 7.521 0.397 17705 1177 1 3 . 1 1 113 113 VAL N N 79 118.622 118.622 117.513 1.109 17705 1178 1 3 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.811 0.829 17705 1179 1 3 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.627 -2.005 17705 1180 1 3 . 1 1 113 113 VAL H H 79 8.091 8.091 7.895 0.196 17705 1181 1 3 . 1 1 114 114 LEU N N 80 129.451 129.451 120.471 8.980 17705 1182 1 3 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.366 0.179 17705 1183 1 3 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.355 -4.407 17705 1184 1 3 . 1 1 114 114 LEU CB C 80 42.680 42.680 40.923 1.757 17705 1185 1 3 . 1 1 114 114 LEU H H 80 8.875 8.875 8.207 0.668 17705 1186 1 3 . 1 1 115 115 ASP N N 81 129.610 129.610 118.154 11.456 17705 1187 1 3 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.666 -0.433 17705 1188 1 3 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.270 -1.996 17705 1189 1 3 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.372 -5.114 17705 1190 1 3 . 1 1 115 115 ASP H H 81 9.445 9.445 8.273 1.172 17705 1191 1 3 . 1 1 116 116 GLY N N 82 100.657 100.657 108.007 -7.350 17705 1192 1 3 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.003 -2.118 17705 1193 1 3 . 1 1 116 116 GLY H H 82 8.008 8.008 7.957 0.051 17705 1194 1 3 . 1 1 117 117 ARG N N 83 120.179 120.179 118.227 1.952 17705 1195 1 3 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.644 -0.098 17705 1196 1 3 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.116 -5.168 17705 1197 1 3 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.624 -1.056 17705 1198 1 3 . 1 1 117 117 ARG H H 83 7.499 7.499 8.226 -0.727 17705 1199 1 3 . 1 1 118 118 GLU N N 84 121.274 121.274 119.313 1.961 17705 1200 1 3 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.207 0.112 17705 1201 1 3 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.312 -3.295 17705 1202 1 3 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.812 -2.623 17705 1203 1 3 . 1 1 118 118 GLU H H 84 8.369 8.369 8.117 0.252 17705 1204 1 3 . 1 1 119 119 LEU N N 85 128.104 128.104 122.880 5.224 17705 1205 1 3 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.112 0.438 17705 1206 1 3 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.372 -4.586 17705 1207 1 3 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.467 -1.579 17705 1208 1 3 . 1 1 119 119 LEU H H 85 9.356 9.356 8.490 0.866 17705 1209 1 3 . 1 1 120 120 ARG N N 86 121.349 121.349 120.332 1.017 17705 1210 1 3 . 1 1 120 120 ARG HA H 86 5.154 5.154 4.881 0.273 17705 1211 1 3 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.924 -2.275 17705 1212 1 3 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.508 -3.933 17705 1213 1 3 . 1 1 120 120 ARG H H 86 7.677 7.677 8.091 -0.414 17705 1214 1 3 . 1 1 121 121 VAL N N 87 126.888 126.888 123.043 3.845 17705 1215 1 3 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.726 0.415 17705 1216 1 3 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.849 -2.324 17705 1217 1 3 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.321 -3.388 17705 1218 1 3 . 1 1 121 121 VAL H H 87 9.435 9.435 8.594 0.841 17705 1219 1 3 . 1 1 122 122 GLN N N 88 122.184 122.184 119.867 2.317 17705 1220 1 3 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.687 0.248 17705 1221 1 3 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.857 -2.867 17705 1222 1 3 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.667 -0.307 17705 1223 1 3 . 1 1 122 122 GLN H H 88 8.520 8.520 8.720 -0.200 17705 1224 1 3 . 1 1 123 123 MET N N 89 122.187 122.187 120.260 1.927 17705 1225 1 3 . 1 1 123 123 MET HA H 89 4.660 4.660 4.307 0.353 17705 1226 1 3 . 1 1 123 123 MET CB C 89 29.398 29.398 32.136 -2.738 17705 1227 1 3 . 1 1 123 123 MET H H 89 8.699 8.699 8.963 -0.265 17705 1228 1 3 . 1 1 124 124 ALA N N 90 127.406 127.406 125.534 1.872 17705 1229 1 3 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.195 0.254 17705 1230 1 3 . 1 1 124 124 ALA CA C 90 49.582 49.582 51.847 -2.265 17705 1231 1 3 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.064 -2.267 17705 1232 1 3 . 1 1 124 124 ALA H H 90 8.592 8.592 8.769 -0.177 17705 1233 1 3 . 1 1 125 125 ARG N N 91 119.981 119.981 113.995 5.986 17705 1234 1 3 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.748 0.571 17705 1235 1 3 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.296 -4.078 17705 1236 1 3 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.672 0.962 17705 1237 1 3 . 1 1 125 125 ARG H H 91 8.299 8.299 8.247 0.052 17705 1238 1 3 . 1 1 126 126 TYR N N 92 121.757 121.757 116.870 4.887 17705 1239 1 3 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.750 -0.284 17705 1240 1 3 . 1 1 126 126 TYR CA C 92 55.090 55.090 55.975 -0.885 17705 1241 1 3 . 1 1 126 126 TYR CB C 92 36.470 36.470 41.814 -5.344 17705 1242 1 3 . 1 1 126 126 TYR H H 92 8.182 8.182 7.536 0.646 17705 1243 1 3 . 1 1 127 127 GLY N N 93 110.707 110.707 107.476 3.231 17705 1244 1 3 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.526 -3.184 17705 1245 1 3 . 1 1 127 127 GLY H H 93 7.969 7.969 8.639 -0.670 17705 1246 1 3 . 1 1 128 128 ARG N N 94 121.504 121.504 119.639 1.865 17705 1247 1 3 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.834 -0.369 17705 1248 1 3 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.788 -2.739 17705 1249 1 3 . 1 1 128 128 ARG H H 94 7.930 7.930 8.563 -0.633 17705 1250 1 3 . 1 1 131 131 ASP N N 97 120.004 120.004 119.315 0.689 17705 1251 1 3 . 1 1 131 131 ASP H H 97 8.289 8.289 8.404 -0.115 17705 1252 1 3 . 1 1 132 132 SER N N 98 115.594 115.594 113.471 2.123 17705 1253 1 3 . 1 1 132 132 SER HA H 98 4.348 4.348 4.911 -0.563 17705 1254 1 3 . 1 1 132 132 SER CB C 98 61.181 61.181 64.827 -3.646 17705 1255 1 3 . 1 1 132 132 SER H H 98 8.128 8.128 8.912 -0.784 17705 1256 1 3 . 1 1 133 133 HIS CB C 99 27.069 27.069 31.222 -4.153 17705 1257 1 3 . 1 1 133 133 HIS H H 99 8.290 8.290 8.519 -0.229 17705 1258 1 3 . 1 1 134 134 HIS N N 100 120.371 120.371 116.037 4.334 17705 1259 1 3 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.631 -3.581 17705 1260 1 3 . 1 1 134 134 HIS H H 100 7.251 7.251 8.504 -1.253 17705 1261 1 4 . 1 1 36 36 SER N N 2 116.240 116.240 116.120 0.120 17705 1262 1 4 . 1 1 36 36 SER HA H 2 4.389 4.389 4.826 -0.437 17705 1263 1 4 . 1 1 36 36 SER CB C 2 61.141 61.141 64.273 -3.132 17705 1264 1 4 . 1 1 36 36 SER H H 2 8.111 8.111 8.361 -0.250 17705 1265 1 4 . 1 1 37 37 TYR N N 3 121.776 121.776 118.234 3.542 17705 1266 1 4 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.663 -0.118 17705 1267 1 4 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.104 -2.809 17705 1268 1 4 . 1 1 37 37 TYR CB C 3 36.113 36.113 38.396 -2.283 17705 1269 1 4 . 1 1 37 37 TYR H H 3 8.062 8.062 8.169 -0.107 17705 1270 1 4 . 1 1 38 38 GLY N N 4 110.102 110.102 105.197 4.905 17705 1271 1 4 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.404 -1.826 17705 1272 1 4 . 1 1 38 38 GLY H H 4 8.221 8.221 6.798 1.423 17705 1273 1 4 . 1 1 39 39 ARG N N 5 121.307 121.307 118.514 2.793 17705 1274 1 4 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.742 -0.160 17705 1275 1 4 . 1 1 39 39 ARG CA C 5 51.020 51.020 53.309 -2.289 17705 1276 1 4 . 1 1 39 39 ARG CB C 5 27.731 27.731 31.808 -4.077 17705 1277 1 4 . 1 1 39 39 ARG H H 5 7.967 7.967 8.371 -0.404 17705 1278 1 4 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.467 -0.136 17705 1279 1 4 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.679 -2.160 17705 1280 1 4 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.451 -3.161 17705 1281 1 4 . 1 1 43 43 ASP N N 9 119.234 119.234 118.221 1.013 17705 1282 1 4 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.469 0.073 17705 1283 1 4 . 1 1 43 43 ASP CB C 9 38.419 38.419 40.627 -2.208 17705 1284 1 4 . 1 1 43 43 ASP H H 9 8.260 8.260 8.632 -0.372 17705 1285 1 4 . 1 1 44 44 VAL N N 10 119.005 119.005 112.899 6.106 17705 1286 1 4 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.665 0.366 17705 1287 1 4 . 1 1 44 44 VAL CA C 10 60.068 60.068 62.978 -2.910 17705 1288 1 4 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.442 -0.594 17705 1289 1 4 . 1 1 44 44 VAL H H 10 7.903 7.903 7.628 0.276 17705 1290 1 4 . 1 1 45 45 GLU N N 11 122.556 122.556 119.732 2.824 17705 1291 1 4 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.178 -0.046 17705 1292 1 4 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.467 -2.709 17705 1293 1 4 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.187 -1.977 17705 1294 1 4 . 1 1 45 45 GLU H H 11 8.304 8.304 8.739 -0.435 17705 1295 1 4 . 1 1 46 46 GLY N N 12 108.250 108.250 105.713 2.537 17705 1296 1 4 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.960 -2.188 17705 1297 1 4 . 1 1 46 46 GLY H H 12 8.187 8.187 7.929 0.258 17705 1298 1 4 . 1 1 47 47 MET N N 13 118.678 118.678 117.984 0.694 17705 1299 1 4 . 1 1 47 47 MET HA H 13 4.606 4.606 4.904 -0.298 17705 1300 1 4 . 1 1 47 47 MET CB C 13 30.713 30.713 36.792 -6.079 17705 1301 1 4 . 1 1 47 47 MET H H 13 7.798 7.798 7.533 0.265 17705 1302 1 4 . 1 1 48 48 THR N N 14 116.971 116.971 114.918 2.053 17705 1303 1 4 . 1 1 48 48 THR HA H 14 4.469 4.469 4.691 -0.222 17705 1304 1 4 . 1 1 48 48 THR CA C 14 60.072 60.072 62.726 -2.654 17705 1305 1 4 . 1 1 48 48 THR CB C 14 67.533 67.533 71.544 -4.011 17705 1306 1 4 . 1 1 48 48 THR H H 14 8.693 8.693 9.153 -0.460 17705 1307 1 4 . 1 1 49 49 SER N N 15 121.549 121.549 119.641 1.908 17705 1308 1 4 . 1 1 49 49 SER HA H 15 5.369 5.369 5.143 0.226 17705 1309 1 4 . 1 1 49 49 SER CA C 15 55.530 55.530 60.290 -4.760 17705 1310 1 4 . 1 1 49 49 SER CB C 15 62.465 62.465 64.037 -1.572 17705 1311 1 4 . 1 1 49 49 SER H H 15 8.813 8.813 8.184 0.629 17705 1312 1 4 . 1 1 50 50 LEU N N 16 122.760 122.760 125.487 -2.727 17705 1313 1 4 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.526 0.589 17705 1314 1 4 . 1 1 50 50 LEU CA C 16 50.197 50.197 54.098 -3.901 17705 1315 1 4 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.956 -3.335 17705 1316 1 4 . 1 1 50 50 LEU H H 16 9.287 9.287 8.236 1.050 17705 1317 1 4 . 1 1 51 51 LYS N N 17 123.384 123.384 123.566 -0.182 17705 1318 1 4 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.279 -0.485 17705 1319 1 4 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.518 -1.937 17705 1320 1 4 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.863 -3.610 17705 1321 1 4 . 1 1 51 51 LYS H H 17 9.240 9.240 9.003 0.237 17705 1322 1 4 . 1 1 52 52 VAL N N 18 129.496 129.496 125.576 3.920 17705 1323 1 4 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.704 0.061 17705 1324 1 4 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.840 -2.610 17705 1325 1 4 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.660 -4.907 17705 1326 1 4 . 1 1 52 52 VAL H H 18 9.194 9.194 7.957 1.237 17705 1327 1 4 . 1 1 53 53 ASP N N 19 126.148 126.148 125.857 0.291 17705 1328 1 4 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.100 0.198 17705 1329 1 4 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.682 -2.619 17705 1330 1 4 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.882 -2.149 17705 1331 1 4 . 1 1 53 53 ASP H H 19 9.382 9.382 9.041 0.341 17705 1332 1 4 . 1 1 54 54 ASN N N 20 113.840 113.840 117.061 -3.221 17705 1333 1 4 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.640 -0.182 17705 1334 1 4 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.233 -3.106 17705 1335 1 4 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.153 -3.103 17705 1336 1 4 . 1 1 54 54 ASN H H 20 8.736 8.736 8.640 0.096 17705 1337 1 4 . 1 1 55 55 LEU N N 21 115.267 115.267 122.448 -7.181 17705 1338 1 4 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.661 -0.272 17705 1339 1 4 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.518 -2.349 17705 1340 1 4 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.320 -4.145 17705 1341 1 4 . 1 1 55 55 LEU H H 21 7.661 7.661 8.476 -0.815 17705 1342 1 4 . 1 1 56 56 THR N N 22 111.721 111.721 113.087 -1.366 17705 1343 1 4 . 1 1 56 56 THR CB C 22 68.066 68.066 69.780 -1.714 17705 1344 1 4 . 1 1 56 56 THR H H 22 8.377 8.377 8.378 -0.001 17705 1345 1 4 . 1 1 57 57 TYR N N 23 122.454 122.454 118.274 4.180 17705 1346 1 4 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.208 0.100 17705 1347 1 4 . 1 1 57 57 TYR CA C 23 56.577 56.577 58.965 -2.389 17705 1348 1 4 . 1 1 57 57 TYR CB C 23 34.393 34.393 35.950 -1.558 17705 1349 1 4 . 1 1 57 57 TYR H H 23 8.601 8.601 7.899 0.702 17705 1350 1 4 . 1 1 58 58 ARG N N 24 114.958 114.958 118.876 -3.918 17705 1351 1 4 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.283 -0.069 17705 1352 1 4 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.209 -1.938 17705 1353 1 4 . 1 1 58 58 ARG CB C 24 27.388 27.388 31.146 -3.758 17705 1354 1 4 . 1 1 58 58 ARG H H 24 7.366 7.366 7.994 -0.628 17705 1355 1 4 . 1 1 59 59 THR N N 25 119.016 119.016 115.432 3.584 17705 1356 1 4 . 1 1 59 59 THR HA H 25 4.037 4.037 4.143 -0.106 17705 1357 1 4 . 1 1 59 59 THR CA C 25 62.031 62.031 64.739 -2.708 17705 1358 1 4 . 1 1 59 59 THR CB C 25 65.705 65.705 68.867 -3.162 17705 1359 1 4 . 1 1 59 59 THR H H 25 7.356 7.356 8.050 -0.694 17705 1360 1 4 . 1 1 60 60 SER N N 26 124.554 124.554 114.556 9.998 17705 1361 1 4 . 1 1 60 60 SER HA H 26 4.834 4.834 4.232 0.602 17705 1362 1 4 . 1 1 60 60 SER CA C 26 52.978 52.978 58.324 -5.346 17705 1363 1 4 . 1 1 60 60 SER CB C 26 61.637 61.637 62.880 -1.243 17705 1364 1 4 . 1 1 60 60 SER H H 26 8.404 8.404 7.865 0.539 17705 1365 1 4 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.292 -0.251 17705 1366 1 4 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.249 -2.172 17705 1367 1 4 . 1 1 62 62 ASP N N 28 115.821 115.821 118.675 -2.854 17705 1368 1 4 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.463 -0.090 17705 1369 1 4 . 1 1 62 62 ASP CA C 28 54.581 54.581 58.007 -3.426 17705 1370 1 4 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.171 -1.956 17705 1371 1 4 . 1 1 62 62 ASP H H 28 8.022 8.022 8.739 -0.717 17705 1372 1 4 . 1 1 63 63 THR N N 29 118.403 118.403 116.960 1.443 17705 1373 1 4 . 1 1 63 63 THR HA H 29 3.898 3.898 4.116 -0.218 17705 1374 1 4 . 1 1 63 63 THR CA C 29 63.704 63.704 65.806 -2.102 17705 1375 1 4 . 1 1 63 63 THR CB C 29 65.555 65.555 68.817 -3.262 17705 1376 1 4 . 1 1 63 63 THR H H 29 7.791 7.791 7.660 0.131 17705 1377 1 4 . 1 1 64 64 LEU N N 30 119.247 119.247 121.248 -2.001 17705 1378 1 4 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.186 -0.148 17705 1379 1 4 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.791 -2.691 17705 1380 1 4 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.618 -1.816 17705 1381 1 4 . 1 1 64 64 LEU H H 30 7.607 7.607 7.647 -0.040 17705 1382 1 4 . 1 1 65 65 ARG N N 31 118.798 118.798 119.470 -0.672 17705 1383 1 4 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.112 -0.472 17705 1384 1 4 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.011 -0.696 17705 1385 1 4 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.855 -2.301 17705 1386 1 4 . 1 1 65 65 ARG H H 31 8.547 8.547 8.021 0.526 17705 1387 1 4 . 1 1 66 66 ARG N N 32 116.038 116.038 117.583 -1.545 17705 1388 1 4 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.331 -0.269 17705 1389 1 4 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.439 -1.753 17705 1390 1 4 . 1 1 66 66 ARG H H 32 7.732 7.732 7.664 0.068 17705 1391 1 4 . 1 1 67 67 VAL N N 33 115.825 115.825 118.132 -2.307 17705 1392 1 4 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.923 -0.079 17705 1393 1 4 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.344 -1.614 17705 1394 1 4 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.197 -2.707 17705 1395 1 4 . 1 1 67 67 VAL H H 33 7.837 7.837 7.596 0.241 17705 1396 1 4 . 1 1 68 68 PHE N N 34 116.175 116.175 116.574 -0.399 17705 1397 1 4 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.879 -0.382 17705 1398 1 4 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.402 0.852 17705 1399 1 4 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.149 -4.889 17705 1400 1 4 . 1 1 68 68 PHE H H 34 8.194 8.194 7.654 0.540 17705 1401 1 4 . 1 1 69 69 GLU N N 35 119.377 119.377 121.140 -1.763 17705 1402 1 4 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.214 0.835 17705 1403 1 4 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.060 -4.149 17705 1404 1 4 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.784 -2.562 17705 1405 1 4 . 1 1 69 69 GLU H H 35 8.669 8.669 8.886 -0.217 17705 1406 1 4 . 1 1 70 70 LYS N N 36 118.371 118.371 118.740 -0.369 17705 1407 1 4 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.031 -0.159 17705 1408 1 4 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.380 -2.901 17705 1409 1 4 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.473 -2.253 17705 1410 1 4 . 1 1 70 70 LYS H H 36 6.866 6.866 8.253 -1.387 17705 1411 1 4 . 1 1 71 71 TYR N N 37 115.053 115.053 118.180 -3.127 17705 1412 1 4 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.346 -0.033 17705 1413 1 4 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.772 -3.641 17705 1414 1 4 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.065 -2.303 17705 1415 1 4 . 1 1 71 71 TYR H H 37 7.637 7.637 7.759 -0.122 17705 1416 1 4 . 1 1 72 72 GLY N N 38 104.732 104.732 105.834 -1.102 17705 1417 1 4 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.357 -3.664 17705 1418 1 4 . 1 1 72 72 GLY H H 38 7.353 7.353 7.963 -0.610 17705 1419 1 4 . 1 1 73 73 ARG N N 39 115.823 115.823 119.166 -3.343 17705 1420 1 4 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.475 -0.149 17705 1421 1 4 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.188 -0.624 17705 1422 1 4 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.023 -5.172 17705 1423 1 4 . 1 1 73 73 ARG H H 39 7.975 7.975 8.134 -0.159 17705 1424 1 4 . 1 1 74 74 VAL N N 40 129.287 129.287 120.001 9.286 17705 1425 1 4 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.459 0.232 17705 1426 1 4 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.073 -1.796 17705 1427 1 4 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.442 -2.724 17705 1428 1 4 . 1 1 74 74 VAL H H 40 8.826 8.826 8.411 0.415 17705 1429 1 4 . 1 1 75 75 GLY N N 41 115.247 115.247 115.024 0.223 17705 1430 1 4 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.028 -2.818 17705 1431 1 4 . 1 1 75 75 GLY H H 41 9.023 9.023 8.046 0.977 17705 1432 1 4 . 1 1 76 76 ASP N N 42 117.313 117.313 118.656 -1.343 17705 1433 1 4 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.835 -0.188 17705 1434 1 4 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.544 -2.962 17705 1435 1 4 . 1 1 76 76 ASP H H 42 7.375 7.375 8.064 -0.689 17705 1436 1 4 . 1 1 77 77 VAL N N 43 121.209 121.209 122.945 -1.736 17705 1437 1 4 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.330 0.313 17705 1438 1 4 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.840 -1.798 17705 1439 1 4 . 1 1 77 77 VAL H H 43 7.799 7.799 8.483 -0.684 17705 1440 1 4 . 1 1 78 78 TYR N N 44 127.478 127.478 126.316 1.162 17705 1441 1 4 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.802 0.252 17705 1442 1 4 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.457 -3.564 17705 1443 1 4 . 1 1 78 78 TYR CB C 44 38.774 38.774 40.955 -2.181 17705 1444 1 4 . 1 1 78 78 TYR H H 44 9.056 9.056 8.073 0.983 17705 1445 1 4 . 1 1 79 79 ILE N N 45 128.848 128.848 119.995 8.853 17705 1446 1 4 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.279 0.118 17705 1447 1 4 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.089 -1.434 17705 1448 1 4 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.913 -3.543 17705 1449 1 4 . 1 1 79 79 ILE H H 45 8.484 8.484 8.485 -0.001 17705 1450 1 4 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.728 -0.669 17705 1451 1 4 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.537 -2.776 17705 1452 1 4 . 1 1 81 81 ARG N N 47 119.796 119.796 122.048 -2.252 17705 1453 1 4 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.122 0.314 17705 1454 1 4 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.905 -0.931 17705 1455 1 4 . 1 1 81 81 ARG H H 47 8.131 8.131 8.207 -0.076 17705 1456 1 4 . 1 1 82 82 ASP N N 48 122.427 122.427 119.229 3.198 17705 1457 1 4 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.480 -0.043 17705 1458 1 4 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.148 -3.500 17705 1459 1 4 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.374 -1.020 17705 1460 1 4 . 1 1 82 82 ASP H H 48 8.511 8.511 8.180 0.331 17705 1461 1 4 . 1 1 83 83 ARG N N 49 124.150 124.150 118.921 5.229 17705 1462 1 4 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.428 -0.429 17705 1463 1 4 . 1 1 83 83 ARG CB C 49 27.658 27.658 32.154 -4.496 17705 1464 1 4 . 1 1 83 83 ARG H H 49 8.546 8.546 8.514 0.032 17705 1465 1 4 . 1 1 84 84 TYR N N 50 118.236 118.236 114.008 4.228 17705 1466 1 4 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.013 -0.360 17705 1467 1 4 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.544 -2.612 17705 1468 1 4 . 1 1 84 84 TYR H H 50 8.376 8.376 7.673 0.703 17705 1469 1 4 . 1 1 85 85 THR N N 51 111.445 111.445 113.993 -2.548 17705 1470 1 4 . 1 1 85 85 THR HA H 51 4.306 4.306 4.634 -0.328 17705 1471 1 4 . 1 1 85 85 THR CA C 51 59.280 59.280 60.001 -0.721 17705 1472 1 4 . 1 1 85 85 THR CB C 51 67.748 67.748 70.503 -2.755 17705 1473 1 4 . 1 1 85 85 THR H H 51 8.790 8.790 8.477 0.313 17705 1474 1 4 . 1 1 86 86 LYS N N 52 115.778 115.778 118.389 -2.611 17705 1475 1 4 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.654 -0.668 17705 1476 1 4 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.133 0.057 17705 1477 1 4 . 1 1 86 86 LYS H H 52 7.947 7.947 8.460 -0.513 17705 1478 1 4 . 1 1 87 87 GLU N N 53 118.931 118.931 116.829 2.102 17705 1479 1 4 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.766 -0.444 17705 1480 1 4 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.566 -3.205 17705 1481 1 4 . 1 1 87 87 GLU H H 53 7.881 7.881 7.537 0.344 17705 1482 1 4 . 1 1 88 88 SER N N 54 116.268 116.268 112.851 3.417 17705 1483 1 4 . 1 1 88 88 SER HA H 54 4.324 4.324 4.782 -0.458 17705 1484 1 4 . 1 1 88 88 SER CA C 54 55.543 55.543 55.699 -0.156 17705 1485 1 4 . 1 1 88 88 SER CB C 54 61.291 61.291 64.272 -2.981 17705 1486 1 4 . 1 1 88 88 SER H H 54 8.472 8.472 8.237 0.235 17705 1487 1 4 . 1 1 89 89 ARG N N 55 121.084 121.084 122.644 -1.560 17705 1488 1 4 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.414 -0.081 17705 1489 1 4 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.434 -2.195 17705 1490 1 4 . 1 1 89 89 ARG H H 55 8.121 8.121 8.904 -0.783 17705 1491 1 4 . 1 1 90 90 GLY CA C 56 43.195 43.195 45.003 -1.808 17705 1492 1 4 . 1 1 90 90 GLY H H 56 8.334 8.334 7.987 0.347 17705 1493 1 4 . 1 1 91 91 PHE N N 57 113.361 113.361 115.178 -1.817 17705 1494 1 4 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.039 0.624 17705 1495 1 4 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.290 -3.406 17705 1496 1 4 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.554 -1.094 17705 1497 1 4 . 1 1 91 91 PHE H H 57 6.980 6.980 7.270 -0.290 17705 1498 1 4 . 1 1 92 92 ALA N N 58 118.350 118.350 123.355 -5.005 17705 1499 1 4 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.069 0.747 17705 1500 1 4 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.750 -3.581 17705 1501 1 4 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.158 2.123 17705 1502 1 4 . 1 1 92 92 ALA H H 58 8.854 8.854 8.139 0.715 17705 1503 1 4 . 1 1 93 93 PHE N N 59 116.210 116.210 118.744 -2.534 17705 1504 1 4 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.660 1.131 17705 1505 1 4 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.599 -2.860 17705 1506 1 4 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.131 -2.205 17705 1507 1 4 . 1 1 93 93 PHE H H 59 9.011 9.011 7.987 1.024 17705 1508 1 4 . 1 1 94 94 VAL N N 60 123.082 123.082 121.791 1.291 17705 1509 1 4 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.374 -0.027 17705 1510 1 4 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.705 -3.009 17705 1511 1 4 . 1 1 94 94 VAL CB C 60 31.593 31.593 33.042 -1.449 17705 1512 1 4 . 1 1 94 94 VAL H H 60 8.878 8.878 7.601 1.277 17705 1513 1 4 . 1 1 95 95 ARG N N 61 125.689 125.689 126.196 -0.507 17705 1514 1 4 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.348 -0.116 17705 1515 1 4 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.262 -2.077 17705 1516 1 4 . 1 1 95 95 ARG H H 61 8.649 8.649 9.025 -0.376 17705 1517 1 4 . 1 1 96 96 PHE N N 62 123.552 123.552 123.444 0.108 17705 1518 1 4 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.685 0.144 17705 1519 1 4 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.596 -0.597 17705 1520 1 4 . 1 1 96 96 PHE CB C 62 39.483 39.483 42.355 -2.872 17705 1521 1 4 . 1 1 96 96 PHE H H 62 9.152 9.152 8.561 0.591 17705 1522 1 4 . 1 1 97 97 HIS N N 63 119.487 119.487 118.960 0.527 17705 1523 1 4 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.709 -0.308 17705 1524 1 4 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.480 -3.063 17705 1525 1 4 . 1 1 97 97 HIS H H 63 7.904 7.904 7.995 -0.091 17705 1526 1 4 . 1 1 98 98 ASP N N 64 119.624 119.624 119.904 -0.280 17705 1527 1 4 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.919 0.113 17705 1528 1 4 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.177 -2.939 17705 1529 1 4 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.579 -1.009 17705 1530 1 4 . 1 1 98 98 ASP H H 64 9.103 9.103 7.900 1.203 17705 1531 1 4 . 1 1 99 99 LYS N N 65 127.479 127.479 125.992 1.487 17705 1532 1 4 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.153 -0.293 17705 1533 1 4 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.826 -1.702 17705 1534 1 4 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.245 -1.960 17705 1535 1 4 . 1 1 99 99 LYS H H 65 8.743 8.743 8.838 -0.095 17705 1536 1 4 . 1 1 100 100 ARG N N 66 118.795 118.795 119.030 -0.235 17705 1537 1 4 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.410 -0.347 17705 1538 1 4 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.637 -2.577 17705 1539 1 4 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.590 -2.817 17705 1540 1 4 . 1 1 100 100 ARG H H 66 8.604 8.604 8.900 -0.296 17705 1541 1 4 . 1 1 101 101 ASP N N 67 119.686 119.686 119.355 0.331 17705 1542 1 4 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.657 -0.455 17705 1543 1 4 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.172 -2.954 17705 1544 1 4 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.578 -2.505 17705 1545 1 4 . 1 1 101 101 ASP H H 67 7.105 7.105 7.922 -0.817 17705 1546 1 4 . 1 1 102 102 ALA N N 68 119.709 119.709 123.094 -3.385 17705 1547 1 4 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.653 -0.827 17705 1548 1 4 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.860 -3.181 17705 1549 1 4 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.533 -2.943 17705 1550 1 4 . 1 1 102 102 ALA H H 68 6.848 6.848 8.019 -1.171 17705 1551 1 4 . 1 1 103 103 GLU N N 69 117.431 117.431 119.856 -2.425 17705 1552 1 4 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.894 -0.239 17705 1553 1 4 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.954 -2.785 17705 1554 1 4 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.555 -3.055 17705 1555 1 4 . 1 1 103 103 GLU H H 69 8.008 8.008 8.364 -0.356 17705 1556 1 4 . 1 1 104 104 ASP N N 70 120.512 120.512 119.178 1.334 17705 1557 1 4 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.399 -0.133 17705 1558 1 4 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.458 -2.941 17705 1559 1 4 . 1 1 104 104 ASP H H 70 8.022 8.022 7.712 0.310 17705 1560 1 4 . 1 1 105 105 ALA N N 71 122.325 122.325 121.920 0.405 17705 1561 1 4 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.589 0.196 17705 1562 1 4 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.424 -2.690 17705 1563 1 4 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.360 -1.212 17705 1564 1 4 . 1 1 105 105 ALA H H 71 8.109 8.109 7.376 0.733 17705 1565 1 4 . 1 1 106 106 MET N N 72 118.595 118.595 118.508 0.087 17705 1566 1 4 . 1 1 106 106 MET HA H 72 3.657 3.657 4.095 -0.438 17705 1567 1 4 . 1 1 106 106 MET CA C 72 57.163 57.163 58.725 -1.562 17705 1568 1 4 . 1 1 106 106 MET CB C 72 30.248 30.248 32.788 -2.540 17705 1569 1 4 . 1 1 106 106 MET H H 72 8.293 8.293 8.134 0.159 17705 1570 1 4 . 1 1 107 107 ASP N N 73 117.126 117.126 119.986 -2.860 17705 1571 1 4 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.460 -0.136 17705 1572 1 4 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.901 -1.853 17705 1573 1 4 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.832 -2.484 17705 1574 1 4 . 1 1 107 107 ASP H H 73 7.784 7.784 8.127 -0.343 17705 1575 1 4 . 1 1 108 108 ALA N N 74 117.971 117.971 117.782 0.189 17705 1576 1 4 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.428 -0.317 17705 1577 1 4 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.239 -0.865 17705 1578 1 4 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.403 -2.750 17705 1579 1 4 . 1 1 108 108 ALA H H 74 7.366 7.366 7.325 0.041 17705 1580 1 4 . 1 1 109 109 MET N N 75 112.248 112.248 115.017 -2.769 17705 1581 1 4 . 1 1 109 109 MET HA H 75 4.756 4.756 4.536 0.220 17705 1582 1 4 . 1 1 109 109 MET CA C 75 50.696 50.696 54.469 -3.773 17705 1583 1 4 . 1 1 109 109 MET H H 75 8.077 8.077 7.406 0.671 17705 1584 1 4 . 1 1 110 110 ASP N N 76 120.144 120.144 121.610 -1.466 17705 1585 1 4 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.516 -0.103 17705 1586 1 4 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.984 -1.054 17705 1587 1 4 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.879 -2.299 17705 1588 1 4 . 1 1 110 110 ASP H H 76 7.915 7.915 7.923 -0.008 17705 1589 1 4 . 1 1 111 111 GLY N N 77 117.810 117.810 114.503 3.307 17705 1590 1 4 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.755 -2.907 17705 1591 1 4 . 1 1 111 111 GLY H H 77 8.680 8.680 8.660 0.020 17705 1592 1 4 . 1 1 112 112 ALA N N 78 123.748 123.748 121.664 2.084 17705 1593 1 4 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.246 0.081 17705 1594 1 4 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.378 -2.410 17705 1595 1 4 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.331 -1.852 17705 1596 1 4 . 1 1 112 112 ALA H H 78 7.918 7.918 7.598 0.320 17705 1597 1 4 . 1 1 113 113 VAL N N 79 118.622 118.622 117.469 1.153 17705 1598 1 4 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.899 0.741 17705 1599 1 4 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.569 -1.947 17705 1600 1 4 . 1 1 113 113 VAL H H 79 8.091 8.091 7.843 0.248 17705 1601 1 4 . 1 1 114 114 LEU N N 80 129.451 129.451 124.363 5.088 17705 1602 1 4 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.172 0.373 17705 1603 1 4 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.874 -4.926 17705 1604 1 4 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.953 0.727 17705 1605 1 4 . 1 1 114 114 LEU H H 80 8.875 8.875 8.523 0.352 17705 1606 1 4 . 1 1 115 115 ASP N N 81 129.610 129.610 117.730 11.880 17705 1607 1 4 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.744 -0.511 17705 1608 1 4 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.445 -2.170 17705 1609 1 4 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.022 -4.764 17705 1610 1 4 . 1 1 115 115 ASP H H 81 9.445 9.445 7.826 1.619 17705 1611 1 4 . 1 1 116 116 GLY N N 82 100.657 100.657 106.824 -6.167 17705 1612 1 4 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.290 -2.405 17705 1613 1 4 . 1 1 116 116 GLY H H 82 8.008 8.008 8.267 -0.259 17705 1614 1 4 . 1 1 117 117 ARG N N 83 120.179 120.179 119.160 1.019 17705 1615 1 4 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.456 0.090 17705 1616 1 4 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.516 -4.568 17705 1617 1 4 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.705 -1.137 17705 1618 1 4 . 1 1 117 117 ARG H H 83 7.499 7.499 7.949 -0.450 17705 1619 1 4 . 1 1 118 118 GLU N N 84 121.274 121.274 119.393 1.881 17705 1620 1 4 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.362 -0.043 17705 1621 1 4 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.158 -3.141 17705 1622 1 4 . 1 1 118 118 GLU CB C 84 27.189 27.189 30.145 -2.956 17705 1623 1 4 . 1 1 118 118 GLU H H 84 8.369 8.369 8.165 0.204 17705 1624 1 4 . 1 1 119 119 LEU N N 85 128.104 128.104 122.823 5.281 17705 1625 1 4 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.108 0.442 17705 1626 1 4 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.484 -4.698 17705 1627 1 4 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.463 -1.575 17705 1628 1 4 . 1 1 119 119 LEU H H 85 9.356 9.356 8.498 0.858 17705 1629 1 4 . 1 1 120 120 ARG N N 86 121.349 121.349 120.597 0.752 17705 1630 1 4 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.056 0.098 17705 1631 1 4 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.884 -2.235 17705 1632 1 4 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.450 -3.875 17705 1633 1 4 . 1 1 120 120 ARG H H 86 7.677 7.677 8.088 -0.411 17705 1634 1 4 . 1 1 121 121 VAL N N 87 126.888 126.888 123.418 3.470 17705 1635 1 4 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.709 0.432 17705 1636 1 4 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.882 -2.357 17705 1637 1 4 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.415 -3.482 17705 1638 1 4 . 1 1 121 121 VAL H H 87 9.435 9.435 9.027 0.408 17705 1639 1 4 . 1 1 122 122 GLN N N 88 122.184 122.184 119.711 2.473 17705 1640 1 4 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.727 0.208 17705 1641 1 4 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.470 -2.480 17705 1642 1 4 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.610 -0.250 17705 1643 1 4 . 1 1 122 122 GLN H H 88 8.520 8.520 8.746 -0.226 17705 1644 1 4 . 1 1 123 123 MET N N 89 122.187 122.187 120.087 2.100 17705 1645 1 4 . 1 1 123 123 MET HA H 89 4.660 4.660 4.365 0.295 17705 1646 1 4 . 1 1 123 123 MET CB C 89 29.398 29.398 32.567 -3.169 17705 1647 1 4 . 1 1 123 123 MET H H 89 8.699 8.699 9.139 -0.440 17705 1648 1 4 . 1 1 124 124 ALA N N 90 127.406 127.406 124.436 2.970 17705 1649 1 4 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.247 0.202 17705 1650 1 4 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.965 -3.383 17705 1651 1 4 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.425 -1.627 17705 1652 1 4 . 1 1 124 124 ALA H H 90 8.592 8.592 8.844 -0.252 17705 1653 1 4 . 1 1 125 125 ARG N N 91 119.981 119.981 111.982 7.999 17705 1654 1 4 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.783 0.536 17705 1655 1 4 . 1 1 125 125 ARG CA C 91 53.218 53.218 56.931 -3.713 17705 1656 1 4 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.227 1.407 17705 1657 1 4 . 1 1 125 125 ARG H H 91 8.299 8.299 8.380 -0.081 17705 1658 1 4 . 1 1 126 126 TYR N N 92 121.757 121.757 116.575 5.182 17705 1659 1 4 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.733 -0.267 17705 1660 1 4 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.512 -1.422 17705 1661 1 4 . 1 1 126 126 TYR CB C 92 36.470 36.470 41.834 -5.364 17705 1662 1 4 . 1 1 126 126 TYR H H 92 8.182 8.182 7.645 0.537 17705 1663 1 4 . 1 1 127 127 GLY N N 93 110.707 110.707 106.905 3.802 17705 1664 1 4 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.223 -2.881 17705 1665 1 4 . 1 1 127 127 GLY H H 93 7.969 7.969 8.781 -0.812 17705 1666 1 4 . 1 1 128 128 ARG N N 94 121.504 121.504 121.282 0.222 17705 1667 1 4 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.482 -0.017 17705 1668 1 4 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.794 -2.745 17705 1669 1 4 . 1 1 128 128 ARG H H 94 7.930 7.930 8.177 -0.247 17705 1670 1 4 . 1 1 131 131 ASP N N 97 120.004 120.004 115.305 4.699 17705 1671 1 4 . 1 1 131 131 ASP H H 97 8.289 8.289 8.059 0.230 17705 1672 1 4 . 1 1 132 132 SER N N 98 115.594 115.594 113.154 2.440 17705 1673 1 4 . 1 1 132 132 SER HA H 98 4.348 4.348 4.776 -0.428 17705 1674 1 4 . 1 1 132 132 SER CB C 98 61.181 61.181 64.170 -2.989 17705 1675 1 4 . 1 1 132 132 SER H H 98 8.128 8.128 8.182 -0.054 17705 1676 1 4 . 1 1 133 133 HIS CB C 99 27.069 27.069 32.027 -4.958 17705 1677 1 4 . 1 1 133 133 HIS H H 99 8.290 8.290 8.847 -0.557 17705 1678 1 4 . 1 1 134 134 HIS N N 100 120.371 120.371 115.186 5.185 17705 1679 1 4 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.613 -3.563 17705 1680 1 4 . 1 1 134 134 HIS H H 100 7.251 7.251 8.277 -1.026 17705 1681 1 5 . 1 1 36 36 SER N N 2 116.240 116.240 117.734 -1.494 17705 1682 1 5 . 1 1 36 36 SER HA H 2 4.389 4.389 4.721 -0.332 17705 1683 1 5 . 1 1 36 36 SER CB C 2 61.141 61.141 63.905 -2.764 17705 1684 1 5 . 1 1 36 36 SER H H 2 8.111 8.111 8.348 -0.237 17705 1685 1 5 . 1 1 37 37 TYR N N 3 121.776 121.776 116.142 5.634 17705 1686 1 5 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.836 -0.291 17705 1687 1 5 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.898 -2.603 17705 1688 1 5 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.474 -3.361 17705 1689 1 5 . 1 1 37 37 TYR H H 3 8.062 8.062 8.158 -0.096 17705 1690 1 5 . 1 1 38 38 GLY N N 4 110.102 110.102 106.741 3.361 17705 1691 1 5 . 1 1 38 38 GLY CA C 4 42.578 42.578 45.260 -2.682 17705 1692 1 5 . 1 1 38 38 GLY H H 4 8.221 8.221 6.572 1.649 17705 1693 1 5 . 1 1 39 39 ARG N N 5 121.307 121.307 119.312 1.995 17705 1694 1 5 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.815 -0.233 17705 1695 1 5 . 1 1 39 39 ARG CA C 5 51.020 51.020 53.073 -2.053 17705 1696 1 5 . 1 1 39 39 ARG CB C 5 27.731 27.731 33.164 -5.433 17705 1697 1 5 . 1 1 39 39 ARG H H 5 7.967 7.967 7.841 0.126 17705 1698 1 5 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.323 0.008 17705 1699 1 5 . 1 1 42 42 PRO CA C 8 60.519 60.519 64.502 -3.983 17705 1700 1 5 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.163 -2.873 17705 1701 1 5 . 1 1 43 43 ASP N N 9 119.234 119.234 113.918 5.316 17705 1702 1 5 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.653 -0.111 17705 1703 1 5 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.994 -4.575 17705 1704 1 5 . 1 1 43 43 ASP H H 9 8.260 8.260 8.003 0.257 17705 1705 1 5 . 1 1 44 44 VAL N N 10 119.005 119.005 114.275 4.730 17705 1706 1 5 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.697 0.334 17705 1707 1 5 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.368 -3.300 17705 1708 1 5 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.716 -0.868 17705 1709 1 5 . 1 1 44 44 VAL H H 10 7.903 7.903 7.855 0.048 17705 1710 1 5 . 1 1 45 45 GLU N N 11 122.556 122.556 119.861 2.695 17705 1711 1 5 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.162 -0.030 17705 1712 1 5 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.655 -2.897 17705 1713 1 5 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.940 -1.730 17705 1714 1 5 . 1 1 45 45 GLU H H 11 8.304 8.304 8.694 -0.390 17705 1715 1 5 . 1 1 46 46 GLY N N 12 108.250 108.250 105.013 3.237 17705 1716 1 5 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.087 -2.315 17705 1717 1 5 . 1 1 46 46 GLY H H 12 8.187 8.187 8.044 0.143 17705 1718 1 5 . 1 1 47 47 MET N N 13 118.678 118.678 118.618 0.060 17705 1719 1 5 . 1 1 47 47 MET HA H 13 4.606 4.606 4.818 -0.212 17705 1720 1 5 . 1 1 47 47 MET CB C 13 30.713 30.713 36.054 -5.341 17705 1721 1 5 . 1 1 47 47 MET H H 13 7.798 7.798 7.384 0.414 17705 1722 1 5 . 1 1 48 48 THR N N 14 116.971 116.971 114.650 2.321 17705 1723 1 5 . 1 1 48 48 THR HA H 14 4.469 4.469 4.643 -0.174 17705 1724 1 5 . 1 1 48 48 THR CA C 14 60.072 60.072 62.731 -2.659 17705 1725 1 5 . 1 1 48 48 THR CB C 14 67.533 67.533 71.556 -4.023 17705 1726 1 5 . 1 1 48 48 THR H H 14 8.693 8.693 9.161 -0.468 17705 1727 1 5 . 1 1 49 49 SER N N 15 121.549 121.549 119.600 1.949 17705 1728 1 5 . 1 1 49 49 SER HA H 15 5.369 5.369 5.142 0.227 17705 1729 1 5 . 1 1 49 49 SER CA C 15 55.530 55.530 60.098 -4.568 17705 1730 1 5 . 1 1 49 49 SER CB C 15 62.465 62.465 64.082 -1.617 17705 1731 1 5 . 1 1 49 49 SER H H 15 8.813 8.813 8.185 0.628 17705 1732 1 5 . 1 1 50 50 LEU N N 16 122.760 122.760 125.208 -2.448 17705 1733 1 5 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.435 0.680 17705 1734 1 5 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.976 -3.779 17705 1735 1 5 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.742 -3.121 17705 1736 1 5 . 1 1 50 50 LEU H H 16 9.287 9.287 8.312 0.975 17705 1737 1 5 . 1 1 51 51 LYS N N 17 123.384 123.384 123.270 0.114 17705 1738 1 5 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.318 -0.524 17705 1739 1 5 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.404 -1.823 17705 1740 1 5 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.959 -3.707 17705 1741 1 5 . 1 1 51 51 LYS H H 17 9.240 9.240 8.850 0.390 17705 1742 1 5 . 1 1 52 52 VAL N N 18 129.496 129.496 125.154 4.342 17705 1743 1 5 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.778 -0.013 17705 1744 1 5 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.706 -2.476 17705 1745 1 5 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.617 -4.864 17705 1746 1 5 . 1 1 52 52 VAL H H 18 9.194 9.194 7.941 1.253 17705 1747 1 5 . 1 1 53 53 ASP N N 19 126.148 126.148 123.444 2.704 17705 1748 1 5 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.037 0.261 17705 1749 1 5 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.516 -1.453 17705 1750 1 5 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.857 -2.124 17705 1751 1 5 . 1 1 53 53 ASP H H 19 9.382 9.382 8.802 0.580 17705 1752 1 5 . 1 1 54 54 ASN N N 20 113.840 113.840 117.567 -3.727 17705 1753 1 5 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.631 -0.173 17705 1754 1 5 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.226 -3.099 17705 1755 1 5 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.086 -3.036 17705 1756 1 5 . 1 1 54 54 ASN H H 20 8.736 8.736 8.725 0.011 17705 1757 1 5 . 1 1 55 55 LEU N N 21 115.267 115.267 122.435 -7.168 17705 1758 1 5 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.714 -0.325 17705 1759 1 5 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.533 -2.364 17705 1760 1 5 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.723 -4.548 17705 1761 1 5 . 1 1 55 55 LEU H H 21 7.661 7.661 8.665 -1.004 17705 1762 1 5 . 1 1 56 56 THR N N 22 111.721 111.721 113.330 -1.609 17705 1763 1 5 . 1 1 56 56 THR CB C 22 68.066 68.066 69.727 -1.661 17705 1764 1 5 . 1 1 56 56 THR H H 22 8.377 8.377 8.284 0.093 17705 1765 1 5 . 1 1 57 57 TYR N N 23 122.454 122.454 116.176 6.278 17705 1766 1 5 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.237 0.071 17705 1767 1 5 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.044 -2.467 17705 1768 1 5 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.213 -1.820 17705 1769 1 5 . 1 1 57 57 TYR H H 23 8.601 8.601 8.072 0.529 17705 1770 1 5 . 1 1 58 58 ARG N N 24 114.958 114.958 118.284 -3.326 17705 1771 1 5 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.214 -0.000 17705 1772 1 5 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.324 -2.053 17705 1773 1 5 . 1 1 58 58 ARG CB C 24 27.388 27.388 31.125 -3.737 17705 1774 1 5 . 1 1 58 58 ARG H H 24 7.366 7.366 7.753 -0.387 17705 1775 1 5 . 1 1 59 59 THR N N 25 119.016 119.016 114.736 4.280 17705 1776 1 5 . 1 1 59 59 THR HA H 25 4.037 4.037 4.118 -0.081 17705 1777 1 5 . 1 1 59 59 THR CA C 25 62.031 62.031 64.628 -2.597 17705 1778 1 5 . 1 1 59 59 THR CB C 25 65.705 65.705 69.063 -3.358 17705 1779 1 5 . 1 1 59 59 THR H H 25 7.356 7.356 8.220 -0.864 17705 1780 1 5 . 1 1 60 60 SER N N 26 124.554 124.554 112.748 11.806 17705 1781 1 5 . 1 1 60 60 SER HA H 26 4.834 4.834 4.216 0.618 17705 1782 1 5 . 1 1 60 60 SER CA C 26 52.978 52.978 58.221 -5.244 17705 1783 1 5 . 1 1 60 60 SER CB C 26 61.637 61.637 63.168 -1.531 17705 1784 1 5 . 1 1 60 60 SER H H 26 8.404 8.404 8.008 0.396 17705 1785 1 5 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.304 -0.263 17705 1786 1 5 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.463 -2.386 17705 1787 1 5 . 1 1 62 62 ASP N N 28 115.821 115.821 117.067 -1.246 17705 1788 1 5 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.482 -0.109 17705 1789 1 5 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.660 -3.079 17705 1790 1 5 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.747 -2.532 17705 1791 1 5 . 1 1 62 62 ASP H H 28 8.022 8.022 8.569 -0.547 17705 1792 1 5 . 1 1 63 63 THR N N 29 118.403 118.403 116.071 2.332 17705 1793 1 5 . 1 1 63 63 THR HA H 29 3.898 3.898 4.091 -0.193 17705 1794 1 5 . 1 1 63 63 THR CA C 29 63.704 63.704 66.307 -2.603 17705 1795 1 5 . 1 1 63 63 THR CB C 29 65.555 65.555 68.672 -3.117 17705 1796 1 5 . 1 1 63 63 THR H H 29 7.791 7.791 7.699 0.092 17705 1797 1 5 . 1 1 64 64 LEU N N 30 119.247 119.247 121.541 -2.294 17705 1798 1 5 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.188 -0.150 17705 1799 1 5 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.859 -2.759 17705 1800 1 5 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.635 -1.833 17705 1801 1 5 . 1 1 64 64 LEU H H 30 7.607 7.607 7.713 -0.106 17705 1802 1 5 . 1 1 65 65 ARG N N 31 118.798 118.798 119.240 -0.442 17705 1803 1 5 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.105 -0.465 17705 1804 1 5 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.005 -0.691 17705 1805 1 5 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.868 -2.314 17705 1806 1 5 . 1 1 65 65 ARG H H 31 8.547 8.547 8.124 0.423 17705 1807 1 5 . 1 1 66 66 ARG N N 32 116.038 116.038 117.498 -1.460 17705 1808 1 5 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.326 -0.264 17705 1809 1 5 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.436 -1.750 17705 1810 1 5 . 1 1 66 66 ARG H H 32 7.732 7.732 7.737 -0.005 17705 1811 1 5 . 1 1 67 67 VAL N N 33 115.825 115.825 118.122 -2.297 17705 1812 1 5 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.932 -0.088 17705 1813 1 5 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.336 -1.606 17705 1814 1 5 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.494 -3.004 17705 1815 1 5 . 1 1 67 67 VAL H H 33 7.837 7.837 7.549 0.288 17705 1816 1 5 . 1 1 68 68 PHE N N 34 116.175 116.175 116.699 -0.524 17705 1817 1 5 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.906 -0.409 17705 1818 1 5 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.540 0.714 17705 1819 1 5 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.237 -4.977 17705 1820 1 5 . 1 1 68 68 PHE H H 34 8.194 8.194 7.730 0.464 17705 1821 1 5 . 1 1 69 69 GLU N N 35 119.377 119.377 121.196 -1.819 17705 1822 1 5 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.224 0.825 17705 1823 1 5 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.996 -4.085 17705 1824 1 5 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.819 -2.597 17705 1825 1 5 . 1 1 69 69 GLU H H 35 8.669 8.669 8.885 -0.216 17705 1826 1 5 . 1 1 70 70 LYS N N 36 118.371 118.371 118.735 -0.364 17705 1827 1 5 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.030 -0.158 17705 1828 1 5 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.379 -2.900 17705 1829 1 5 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.484 -2.264 17705 1830 1 5 . 1 1 70 70 LYS H H 36 6.866 6.866 8.249 -1.383 17705 1831 1 5 . 1 1 71 71 TYR N N 37 115.053 115.053 118.139 -3.086 17705 1832 1 5 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.360 -0.047 17705 1833 1 5 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.728 -3.597 17705 1834 1 5 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.089 -2.326 17705 1835 1 5 . 1 1 71 71 TYR H H 37 7.637 7.637 7.754 -0.117 17705 1836 1 5 . 1 1 72 72 GLY N N 38 104.732 104.732 105.890 -1.158 17705 1837 1 5 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.372 -3.679 17705 1838 1 5 . 1 1 72 72 GLY H H 38 7.353 7.353 7.972 -0.619 17705 1839 1 5 . 1 1 73 73 ARG N N 39 115.823 115.823 119.165 -3.342 17705 1840 1 5 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.471 -0.145 17705 1841 1 5 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.177 -0.613 17705 1842 1 5 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.023 -5.172 17705 1843 1 5 . 1 1 73 73 ARG H H 39 7.975 7.975 8.126 -0.151 17705 1844 1 5 . 1 1 74 74 VAL N N 40 129.287 129.287 120.025 9.262 17705 1845 1 5 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.441 0.250 17705 1846 1 5 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.998 -1.721 17705 1847 1 5 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.585 -2.867 17705 1848 1 5 . 1 1 74 74 VAL H H 40 8.826 8.826 8.409 0.417 17705 1849 1 5 . 1 1 75 75 GLY N N 41 115.247 115.247 114.963 0.284 17705 1850 1 5 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.048 -2.838 17705 1851 1 5 . 1 1 75 75 GLY H H 41 9.023 9.023 8.062 0.961 17705 1852 1 5 . 1 1 76 76 ASP N N 42 117.313 117.313 118.636 -1.323 17705 1853 1 5 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.834 -0.187 17705 1854 1 5 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.552 -2.971 17705 1855 1 5 . 1 1 76 76 ASP H H 42 7.375 7.375 8.066 -0.691 17705 1856 1 5 . 1 1 77 77 VAL N N 43 121.209 121.209 123.041 -1.832 17705 1857 1 5 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.338 0.305 17705 1858 1 5 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.868 -1.826 17705 1859 1 5 . 1 1 77 77 VAL H H 43 7.799 7.799 8.499 -0.700 17705 1860 1 5 . 1 1 78 78 TYR N N 44 127.478 127.478 126.394 1.084 17705 1861 1 5 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.816 0.238 17705 1862 1 5 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.492 -3.599 17705 1863 1 5 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.040 -2.266 17705 1864 1 5 . 1 1 78 78 TYR H H 44 9.056 9.056 8.078 0.978 17705 1865 1 5 . 1 1 79 79 ILE N N 45 128.848 128.848 120.059 8.789 17705 1866 1 5 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.314 0.083 17705 1867 1 5 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.119 -1.464 17705 1868 1 5 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.953 -3.583 17705 1869 1 5 . 1 1 79 79 ILE H H 45 8.484 8.484 8.510 -0.026 17705 1870 1 5 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.638 -0.579 17705 1871 1 5 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.256 -2.495 17705 1872 1 5 . 1 1 81 81 ARG N N 47 119.796 119.796 120.378 -0.582 17705 1873 1 5 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.029 0.407 17705 1874 1 5 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.321 -0.347 17705 1875 1 5 . 1 1 81 81 ARG H H 47 8.131 8.131 7.797 0.334 17705 1876 1 5 . 1 1 82 82 ASP N N 48 122.427 122.427 119.006 3.421 17705 1877 1 5 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.367 0.070 17705 1878 1 5 . 1 1 82 82 ASP CA C 48 51.648 51.648 56.471 -4.822 17705 1879 1 5 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.121 -0.767 17705 1880 1 5 . 1 1 82 82 ASP H H 48 8.511 8.511 8.144 0.367 17705 1881 1 5 . 1 1 83 83 ARG N N 49 124.150 124.150 114.120 10.030 17705 1882 1 5 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.017 -0.018 17705 1883 1 5 . 1 1 83 83 ARG CB C 49 27.658 27.658 29.137 -1.479 17705 1884 1 5 . 1 1 83 83 ARG H H 49 8.546 8.546 8.593 -0.047 17705 1885 1 5 . 1 1 84 84 TYR N N 50 118.236 118.236 113.341 4.895 17705 1886 1 5 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.809 -0.156 17705 1887 1 5 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.644 -2.712 17705 1888 1 5 . 1 1 84 84 TYR H H 50 8.376 8.376 7.750 0.626 17705 1889 1 5 . 1 1 85 85 THR N N 51 111.445 111.445 112.089 -0.644 17705 1890 1 5 . 1 1 85 85 THR HA H 51 4.306 4.306 4.488 -0.182 17705 1891 1 5 . 1 1 85 85 THR CA C 51 59.280 59.280 60.546 -1.266 17705 1892 1 5 . 1 1 85 85 THR CB C 51 67.748 67.748 71.739 -3.991 17705 1893 1 5 . 1 1 85 85 THR H H 51 8.790 8.790 7.605 1.185 17705 1894 1 5 . 1 1 86 86 LYS N N 52 115.778 115.778 121.053 -5.275 17705 1895 1 5 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.627 -0.641 17705 1896 1 5 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.135 0.055 17705 1897 1 5 . 1 1 86 86 LYS H H 52 7.947 7.947 8.531 -0.584 17705 1898 1 5 . 1 1 87 87 GLU N N 53 118.931 118.931 116.570 2.361 17705 1899 1 5 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.837 -0.515 17705 1900 1 5 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.577 -4.216 17705 1901 1 5 . 1 1 87 87 GLU H H 53 7.881 7.881 7.557 0.324 17705 1902 1 5 . 1 1 88 88 SER N N 54 116.268 116.268 113.877 2.391 17705 1903 1 5 . 1 1 88 88 SER HA H 54 4.324 4.324 4.852 -0.528 17705 1904 1 5 . 1 1 88 88 SER CA C 54 55.543 55.543 56.275 -0.732 17705 1905 1 5 . 1 1 88 88 SER CB C 54 61.291 61.291 66.231 -4.940 17705 1906 1 5 . 1 1 88 88 SER H H 54 8.472 8.472 8.457 0.015 17705 1907 1 5 . 1 1 89 89 ARG N N 55 121.084 121.084 119.292 1.792 17705 1908 1 5 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.422 -0.089 17705 1909 1 5 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.070 -1.831 17705 1910 1 5 . 1 1 89 89 ARG H H 55 8.121 8.121 8.614 -0.493 17705 1911 1 5 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.962 -1.767 17705 1912 1 5 . 1 1 90 90 GLY H H 56 8.334 8.334 7.957 0.377 17705 1913 1 5 . 1 1 91 91 PHE N N 57 113.361 113.361 114.071 -0.710 17705 1914 1 5 . 1 1 91 91 PHE HA H 57 5.663 5.663 4.954 0.709 17705 1915 1 5 . 1 1 91 91 PHE CA C 57 51.884 51.884 54.682 -2.798 17705 1916 1 5 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.627 -1.167 17705 1917 1 5 . 1 1 91 91 PHE H H 57 6.980 6.980 7.422 -0.442 17705 1918 1 5 . 1 1 92 92 ALA N N 58 118.350 118.350 123.002 -4.652 17705 1919 1 5 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.596 0.220 17705 1920 1 5 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.582 -3.413 17705 1921 1 5 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.377 1.904 17705 1922 1 5 . 1 1 92 92 ALA H H 58 8.854 8.854 8.112 0.742 17705 1923 1 5 . 1 1 93 93 PHE N N 59 116.210 116.210 118.816 -2.606 17705 1924 1 5 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.664 1.127 17705 1925 1 5 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.791 -3.052 17705 1926 1 5 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.003 -2.077 17705 1927 1 5 . 1 1 93 93 PHE H H 59 9.011 9.011 8.001 1.010 17705 1928 1 5 . 1 1 94 94 VAL N N 60 123.082 123.082 121.861 1.221 17705 1929 1 5 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.420 -0.073 17705 1930 1 5 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.855 -3.159 17705 1931 1 5 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.667 -1.074 17705 1932 1 5 . 1 1 94 94 VAL H H 60 8.878 8.878 7.606 1.272 17705 1933 1 5 . 1 1 95 95 ARG N N 61 125.689 125.689 127.051 -1.362 17705 1934 1 5 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.247 -0.015 17705 1935 1 5 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.337 -2.152 17705 1936 1 5 . 1 1 95 95 ARG H H 61 8.649 8.649 9.011 -0.362 17705 1937 1 5 . 1 1 96 96 PHE N N 62 123.552 123.552 123.943 -0.391 17705 1938 1 5 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.706 0.123 17705 1939 1 5 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.380 -0.381 17705 1940 1 5 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.440 -1.957 17705 1941 1 5 . 1 1 96 96 PHE H H 62 9.152 9.152 8.548 0.604 17705 1942 1 5 . 1 1 97 97 HIS N N 63 119.487 119.487 119.013 0.474 17705 1943 1 5 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.646 -0.245 17705 1944 1 5 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.301 -2.884 17705 1945 1 5 . 1 1 97 97 HIS H H 63 7.904 7.904 8.073 -0.169 17705 1946 1 5 . 1 1 98 98 ASP N N 64 119.624 119.624 119.819 -0.195 17705 1947 1 5 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.915 0.117 17705 1948 1 5 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.286 -3.048 17705 1949 1 5 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.719 -1.149 17705 1950 1 5 . 1 1 98 98 ASP H H 64 9.103 9.103 7.896 1.207 17705 1951 1 5 . 1 1 99 99 LYS N N 65 127.479 127.479 125.773 1.706 17705 1952 1 5 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.166 -0.306 17705 1953 1 5 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.794 -1.670 17705 1954 1 5 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.300 -2.015 17705 1955 1 5 . 1 1 99 99 LYS H H 65 8.743 8.743 8.835 -0.092 17705 1956 1 5 . 1 1 100 100 ARG N N 66 118.795 118.795 119.049 -0.254 17705 1957 1 5 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.449 -0.386 17705 1958 1 5 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.222 -2.162 17705 1959 1 5 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.518 -2.745 17705 1960 1 5 . 1 1 100 100 ARG H H 66 8.604 8.604 8.951 -0.347 17705 1961 1 5 . 1 1 101 101 ASP N N 67 119.686 119.686 119.245 0.441 17705 1962 1 5 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.643 -0.441 17705 1963 1 5 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.307 -3.089 17705 1964 1 5 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.537 -2.463 17705 1965 1 5 . 1 1 101 101 ASP H H 67 7.105 7.105 7.933 -0.828 17705 1966 1 5 . 1 1 102 102 ALA N N 68 119.709 119.709 122.894 -3.185 17705 1967 1 5 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.699 -0.873 17705 1968 1 5 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.801 -3.122 17705 1969 1 5 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.524 -2.934 17705 1970 1 5 . 1 1 102 102 ALA H H 68 6.848 6.848 7.948 -1.100 17705 1971 1 5 . 1 1 103 103 GLU N N 69 117.431 117.431 119.903 -2.472 17705 1972 1 5 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.868 -0.213 17705 1973 1 5 . 1 1 103 103 GLU CA C 69 57.169 57.169 60.130 -2.961 17705 1974 1 5 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.606 -3.106 17705 1975 1 5 . 1 1 103 103 GLU H H 69 8.008 8.008 8.249 -0.241 17705 1976 1 5 . 1 1 104 104 ASP N N 70 120.512 120.512 118.703 1.809 17705 1977 1 5 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.405 -0.139 17705 1978 1 5 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.560 -3.043 17705 1979 1 5 . 1 1 104 104 ASP H H 70 8.022 8.022 7.650 0.372 17705 1980 1 5 . 1 1 105 105 ALA N N 71 122.325 122.325 121.674 0.651 17705 1981 1 5 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.601 0.184 17705 1982 1 5 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.410 -2.676 17705 1983 1 5 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.501 -1.353 17705 1984 1 5 . 1 1 105 105 ALA H H 71 8.109 8.109 7.361 0.748 17705 1985 1 5 . 1 1 106 106 MET N N 72 118.595 118.595 118.353 0.242 17705 1986 1 5 . 1 1 106 106 MET HA H 72 3.657 3.657 4.084 -0.427 17705 1987 1 5 . 1 1 106 106 MET CA C 72 57.163 57.163 58.673 -1.510 17705 1988 1 5 . 1 1 106 106 MET CB C 72 30.248 30.248 32.786 -2.538 17705 1989 1 5 . 1 1 106 106 MET H H 72 8.293 8.293 8.117 0.176 17705 1990 1 5 . 1 1 107 107 ASP N N 73 117.126 117.126 119.237 -2.111 17705 1991 1 5 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.752 -0.428 17705 1992 1 5 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.637 -1.589 17705 1993 1 5 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.968 -2.620 17705 1994 1 5 . 1 1 107 107 ASP H H 73 7.784 7.784 8.067 -0.283 17705 1995 1 5 . 1 1 108 108 ALA N N 74 117.971 117.971 118.176 -0.205 17705 1996 1 5 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.739 -0.628 17705 1997 1 5 . 1 1 108 108 ALA CA C 74 51.374 51.374 51.933 -0.559 17705 1998 1 5 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.454 -2.801 17705 1999 1 5 . 1 1 108 108 ALA H H 74 7.366 7.366 7.457 -0.091 17705 2000 1 5 . 1 1 109 109 MET N N 75 112.248 112.248 114.791 -2.543 17705 2001 1 5 . 1 1 109 109 MET HA H 75 4.756 4.756 4.550 0.206 17705 2002 1 5 . 1 1 109 109 MET CA C 75 50.696 50.696 54.489 -3.793 17705 2003 1 5 . 1 1 109 109 MET H H 75 8.077 8.077 7.424 0.653 17705 2004 1 5 . 1 1 110 110 ASP N N 76 120.144 120.144 121.367 -1.223 17705 2005 1 5 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.414 -0.001 17705 2006 1 5 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.573 -0.643 17705 2007 1 5 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.947 -2.367 17705 2008 1 5 . 1 1 110 110 ASP H H 76 7.915 7.915 7.965 -0.050 17705 2009 1 5 . 1 1 111 111 GLY N N 77 117.810 117.810 114.962 2.848 17705 2010 1 5 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.812 -2.964 17705 2011 1 5 . 1 1 111 111 GLY H H 77 8.680 8.680 8.813 -0.133 17705 2012 1 5 . 1 1 112 112 ALA N N 78 123.748 123.748 121.642 2.106 17705 2013 1 5 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.290 0.037 17705 2014 1 5 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.333 -2.365 17705 2015 1 5 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.338 -1.859 17705 2016 1 5 . 1 1 112 112 ALA H H 78 7.918 7.918 7.586 0.332 17705 2017 1 5 . 1 1 113 113 VAL N N 79 118.622 118.622 117.570 1.052 17705 2018 1 5 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.834 0.806 17705 2019 1 5 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.572 -1.950 17705 2020 1 5 . 1 1 113 113 VAL H H 79 8.091 8.091 7.812 0.279 17705 2021 1 5 . 1 1 114 114 LEU N N 80 129.451 129.451 124.588 4.863 17705 2022 1 5 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.178 0.367 17705 2023 1 5 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.891 -4.943 17705 2024 1 5 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.991 0.689 17705 2025 1 5 . 1 1 114 114 LEU H H 80 8.875 8.875 8.528 0.347 17705 2026 1 5 . 1 1 115 115 ASP N N 81 129.610 129.610 117.796 11.814 17705 2027 1 5 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.743 -0.510 17705 2028 1 5 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.452 -2.177 17705 2029 1 5 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.032 -4.774 17705 2030 1 5 . 1 1 115 115 ASP H H 81 9.445 9.445 7.835 1.610 17705 2031 1 5 . 1 1 116 116 GLY N N 82 100.657 100.657 106.809 -6.152 17705 2032 1 5 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.269 -2.384 17705 2033 1 5 . 1 1 116 116 GLY H H 82 8.008 8.008 8.256 -0.248 17705 2034 1 5 . 1 1 117 117 ARG N N 83 120.179 120.179 118.437 1.742 17705 2035 1 5 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.649 -0.103 17705 2036 1 5 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.039 -5.091 17705 2037 1 5 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.727 -1.159 17705 2038 1 5 . 1 1 117 117 ARG H H 83 7.499 7.499 8.220 -0.721 17705 2039 1 5 . 1 1 118 118 GLU N N 84 121.274 121.274 119.306 1.968 17705 2040 1 5 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.229 0.090 17705 2041 1 5 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.310 -3.293 17705 2042 1 5 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.802 -2.613 17705 2043 1 5 . 1 1 118 118 GLU H H 84 8.369 8.369 8.118 0.251 17705 2044 1 5 . 1 1 119 119 LEU N N 85 128.104 128.104 122.801 5.303 17705 2045 1 5 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.070 0.480 17705 2046 1 5 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.371 -4.585 17705 2047 1 5 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.483 -1.595 17705 2048 1 5 . 1 1 119 119 LEU H H 85 9.356 9.356 8.482 0.874 17705 2049 1 5 . 1 1 120 120 ARG N N 86 121.349 121.349 120.983 0.366 17705 2050 1 5 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.081 0.073 17705 2051 1 5 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.691 -2.042 17705 2052 1 5 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.225 -3.650 17705 2053 1 5 . 1 1 120 120 ARG H H 86 7.677 7.677 8.118 -0.441 17705 2054 1 5 . 1 1 121 121 VAL N N 87 126.888 126.888 123.308 3.580 17705 2055 1 5 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.714 0.427 17705 2056 1 5 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.888 -2.363 17705 2057 1 5 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.218 -3.285 17705 2058 1 5 . 1 1 121 121 VAL H H 87 9.435 9.435 9.112 0.323 17705 2059 1 5 . 1 1 122 122 GLN N N 88 122.184 122.184 120.323 1.861 17705 2060 1 5 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.713 0.222 17705 2061 1 5 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.327 -2.337 17705 2062 1 5 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.655 -0.295 17705 2063 1 5 . 1 1 122 122 GLN H H 88 8.520 8.520 8.801 -0.281 17705 2064 1 5 . 1 1 123 123 MET N N 89 122.187 122.187 120.255 1.932 17705 2065 1 5 . 1 1 123 123 MET HA H 89 4.660 4.660 4.281 0.379 17705 2066 1 5 . 1 1 123 123 MET CB C 89 29.398 29.398 31.971 -2.573 17705 2067 1 5 . 1 1 123 123 MET H H 89 8.699 8.699 8.957 -0.258 17705 2068 1 5 . 1 1 124 124 ALA N N 90 127.406 127.406 125.974 1.432 17705 2069 1 5 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.155 0.294 17705 2070 1 5 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.040 -2.458 17705 2071 1 5 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.958 -2.160 17705 2072 1 5 . 1 1 124 124 ALA H H 90 8.592 8.592 8.704 -0.112 17705 2073 1 5 . 1 1 125 125 ARG N N 91 119.981 119.981 114.013 5.968 17705 2074 1 5 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.805 0.514 17705 2075 1 5 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.367 -4.149 17705 2076 1 5 . 1 1 125 125 ARG CB C 91 28.634 28.634 28.187 0.447 17705 2077 1 5 . 1 1 125 125 ARG H H 91 8.299 8.299 8.248 0.051 17705 2078 1 5 . 1 1 126 126 TYR N N 92 121.757 121.757 116.544 5.213 17705 2079 1 5 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.726 -0.260 17705 2080 1 5 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.015 -0.925 17705 2081 1 5 . 1 1 126 126 TYR CB C 92 36.470 36.470 41.014 -4.544 17705 2082 1 5 . 1 1 126 126 TYR H H 92 8.182 8.182 7.420 0.762 17705 2083 1 5 . 1 1 127 127 GLY N N 93 110.707 110.707 107.217 3.490 17705 2084 1 5 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.499 -3.157 17705 2085 1 5 . 1 1 127 127 GLY H H 93 7.969 7.969 8.649 -0.680 17705 2086 1 5 . 1 1 128 128 ARG N N 94 121.504 121.504 121.485 0.019 17705 2087 1 5 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.784 -0.319 17705 2088 1 5 . 1 1 128 128 ARG CA C 94 51.049 51.049 54.132 -3.083 17705 2089 1 5 . 1 1 128 128 ARG H H 94 7.930 7.930 7.985 -0.055 17705 2090 1 5 . 1 1 131 131 ASP N N 97 120.004 120.004 119.868 0.136 17705 2091 1 5 . 1 1 131 131 ASP H H 97 8.289 8.289 7.761 0.528 17705 2092 1 5 . 1 1 132 132 SER N N 98 115.594 115.594 114.936 0.658 17705 2093 1 5 . 1 1 132 132 SER HA H 98 4.348 4.348 4.360 -0.012 17705 2094 1 5 . 1 1 132 132 SER CB C 98 61.181 61.181 63.511 -2.330 17705 2095 1 5 . 1 1 132 132 SER H H 98 8.128 8.128 8.471 -0.343 17705 2096 1 5 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.880 -3.811 17705 2097 1 5 . 1 1 133 133 HIS H H 99 8.290 8.290 7.173 1.117 17705 2098 1 5 . 1 1 134 134 HIS N N 100 120.371 120.371 116.155 4.216 17705 2099 1 5 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.811 -4.761 17705 2100 1 5 . 1 1 134 134 HIS H H 100 7.251 7.251 8.244 -0.993 17705 2101 1 6 . 1 1 36 36 SER N N 2 116.240 116.240 116.242 -0.002 17705 2102 1 6 . 1 1 36 36 SER HA H 2 4.389 4.389 4.756 -0.367 17705 2103 1 6 . 1 1 36 36 SER CB C 2 61.141 61.141 65.731 -4.590 17705 2104 1 6 . 1 1 36 36 SER H H 2 8.111 8.111 8.214 -0.103 17705 2105 1 6 . 1 1 37 37 TYR N N 3 121.776 121.776 116.781 4.995 17705 2106 1 6 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.830 -0.285 17705 2107 1 6 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.593 -2.299 17705 2108 1 6 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.622 -3.509 17705 2109 1 6 . 1 1 37 37 TYR H H 3 8.062 8.062 8.091 -0.029 17705 2110 1 6 . 1 1 38 38 GLY N N 4 110.102 110.102 106.914 3.188 17705 2111 1 6 . 1 1 38 38 GLY CA C 4 42.578 42.578 45.077 -2.499 17705 2112 1 6 . 1 1 38 38 GLY H H 4 8.221 8.221 7.112 1.109 17705 2113 1 6 . 1 1 39 39 ARG N N 5 121.307 121.307 119.084 2.223 17705 2114 1 6 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.939 -0.357 17705 2115 1 6 . 1 1 39 39 ARG CA C 5 51.020 51.020 52.692 -1.672 17705 2116 1 6 . 1 1 39 39 ARG CB C 5 27.731 27.731 32.403 -4.672 17705 2117 1 6 . 1 1 39 39 ARG H H 5 7.967 7.967 7.929 0.038 17705 2118 1 6 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.466 -0.135 17705 2119 1 6 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.721 -2.201 17705 2120 1 6 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.295 -3.005 17705 2121 1 6 . 1 1 43 43 ASP N N 9 119.234 119.234 117.935 1.299 17705 2122 1 6 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.453 0.089 17705 2123 1 6 . 1 1 43 43 ASP CB C 9 38.419 38.419 40.715 -2.296 17705 2124 1 6 . 1 1 43 43 ASP H H 9 8.260 8.260 8.605 -0.345 17705 2125 1 6 . 1 1 44 44 VAL N N 10 119.005 119.005 112.783 6.222 17705 2126 1 6 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.685 0.346 17705 2127 1 6 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.209 -3.141 17705 2128 1 6 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.489 -0.641 17705 2129 1 6 . 1 1 44 44 VAL H H 10 7.903 7.903 7.770 0.133 17705 2130 1 6 . 1 1 45 45 GLU N N 11 122.556 122.556 118.925 3.631 17705 2131 1 6 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.209 -0.077 17705 2132 1 6 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.271 -2.513 17705 2133 1 6 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.334 -2.124 17705 2134 1 6 . 1 1 45 45 GLU H H 11 8.304 8.304 8.685 -0.381 17705 2135 1 6 . 1 1 46 46 GLY N N 12 108.250 108.250 107.722 0.528 17705 2136 1 6 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.058 -2.286 17705 2137 1 6 . 1 1 46 46 GLY H H 12 8.187 8.187 7.974 0.213 17705 2138 1 6 . 1 1 47 47 MET N N 13 118.678 118.678 117.848 0.830 17705 2139 1 6 . 1 1 47 47 MET HA H 13 4.606 4.606 4.944 -0.338 17705 2140 1 6 . 1 1 47 47 MET CB C 13 30.713 30.713 36.557 -5.844 17705 2141 1 6 . 1 1 47 47 MET H H 13 7.798 7.798 7.476 0.322 17705 2142 1 6 . 1 1 48 48 THR N N 14 116.971 116.971 115.201 1.770 17705 2143 1 6 . 1 1 48 48 THR HA H 14 4.469 4.469 4.636 -0.167 17705 2144 1 6 . 1 1 48 48 THR CA C 14 60.072 60.072 62.623 -2.551 17705 2145 1 6 . 1 1 48 48 THR CB C 14 67.533 67.533 71.242 -3.709 17705 2146 1 6 . 1 1 48 48 THR H H 14 8.693 8.693 9.221 -0.528 17705 2147 1 6 . 1 1 49 49 SER N N 15 121.549 121.549 119.509 2.040 17705 2148 1 6 . 1 1 49 49 SER HA H 15 5.369 5.369 5.163 0.206 17705 2149 1 6 . 1 1 49 49 SER CA C 15 55.530 55.530 59.813 -4.283 17705 2150 1 6 . 1 1 49 49 SER CB C 15 62.465 62.465 64.184 -1.719 17705 2151 1 6 . 1 1 49 49 SER H H 15 8.813 8.813 8.111 0.702 17705 2152 1 6 . 1 1 50 50 LEU N N 16 122.760 122.760 124.941 -2.181 17705 2153 1 6 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.446 0.669 17705 2154 1 6 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.767 -3.570 17705 2155 1 6 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.780 -3.159 17705 2156 1 6 . 1 1 50 50 LEU H H 16 9.287 9.287 8.260 1.027 17705 2157 1 6 . 1 1 51 51 LYS N N 17 123.384 123.384 123.526 -0.142 17705 2158 1 6 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.234 -0.440 17705 2159 1 6 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.508 -1.927 17705 2160 1 6 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.733 -3.480 17705 2161 1 6 . 1 1 51 51 LYS H H 17 9.240 9.240 8.865 0.375 17705 2162 1 6 . 1 1 52 52 VAL N N 18 129.496 129.496 125.723 3.773 17705 2163 1 6 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.838 -0.073 17705 2164 1 6 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.690 -2.459 17705 2165 1 6 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.481 -4.728 17705 2166 1 6 . 1 1 52 52 VAL H H 18 9.194 9.194 7.941 1.253 17705 2167 1 6 . 1 1 53 53 ASP N N 19 126.148 126.148 123.305 2.843 17705 2168 1 6 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.015 0.283 17705 2169 1 6 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.662 -1.599 17705 2170 1 6 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.901 -2.168 17705 2171 1 6 . 1 1 53 53 ASP H H 19 9.382 9.382 8.862 0.520 17705 2172 1 6 . 1 1 54 54 ASN N N 20 113.840 113.840 117.675 -3.835 17705 2173 1 6 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.635 -0.177 17705 2174 1 6 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.194 -3.067 17705 2175 1 6 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.036 -2.986 17705 2176 1 6 . 1 1 54 54 ASN H H 20 8.736 8.736 8.736 -0.000 17705 2177 1 6 . 1 1 55 55 LEU N N 21 115.267 115.267 122.438 -7.171 17705 2178 1 6 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.726 -0.337 17705 2179 1 6 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.476 -2.307 17705 2180 1 6 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.702 -4.527 17705 2181 1 6 . 1 1 55 55 LEU H H 21 7.661 7.661 8.721 -1.060 17705 2182 1 6 . 1 1 56 56 THR N N 22 111.721 111.721 113.357 -1.636 17705 2183 1 6 . 1 1 56 56 THR CB C 22 68.066 68.066 69.881 -1.815 17705 2184 1 6 . 1 1 56 56 THR H H 22 8.377 8.377 8.430 -0.053 17705 2185 1 6 . 1 1 57 57 TYR N N 23 122.454 122.454 117.354 5.100 17705 2186 1 6 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.204 0.104 17705 2187 1 6 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.395 -2.817 17705 2188 1 6 . 1 1 57 57 TYR CB C 23 34.393 34.393 35.866 -1.473 17705 2189 1 6 . 1 1 57 57 TYR H H 23 8.601 8.601 8.176 0.425 17705 2190 1 6 . 1 1 58 58 ARG N N 24 114.958 114.958 118.623 -3.665 17705 2191 1 6 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.132 0.082 17705 2192 1 6 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.511 -2.240 17705 2193 1 6 . 1 1 58 58 ARG CB C 24 27.388 27.388 31.193 -3.805 17705 2194 1 6 . 1 1 58 58 ARG H H 24 7.366 7.366 7.731 -0.365 17705 2195 1 6 . 1 1 59 59 THR N N 25 119.016 119.016 114.977 4.039 17705 2196 1 6 . 1 1 59 59 THR HA H 25 4.037 4.037 4.114 -0.077 17705 2197 1 6 . 1 1 59 59 THR CA C 25 62.031 62.031 64.750 -2.719 17705 2198 1 6 . 1 1 59 59 THR CB C 25 65.705 65.705 69.018 -3.313 17705 2199 1 6 . 1 1 59 59 THR H H 25 7.356 7.356 8.118 -0.762 17705 2200 1 6 . 1 1 60 60 SER N N 26 124.554 124.554 113.692 10.862 17705 2201 1 6 . 1 1 60 60 SER HA H 26 4.834 4.834 4.204 0.630 17705 2202 1 6 . 1 1 60 60 SER CA C 26 52.978 52.978 58.231 -5.253 17705 2203 1 6 . 1 1 60 60 SER CB C 26 61.637 61.637 63.278 -1.641 17705 2204 1 6 . 1 1 60 60 SER H H 26 8.404 8.404 7.996 0.408 17705 2205 1 6 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.264 -0.223 17705 2206 1 6 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.335 -2.258 17705 2207 1 6 . 1 1 62 62 ASP N N 28 115.821 115.821 117.274 -1.453 17705 2208 1 6 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.467 -0.094 17705 2209 1 6 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.678 -3.097 17705 2210 1 6 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.600 -2.385 17705 2211 1 6 . 1 1 62 62 ASP H H 28 8.022 8.022 8.637 -0.615 17705 2212 1 6 . 1 1 63 63 THR N N 29 118.403 118.403 116.643 1.760 17705 2213 1 6 . 1 1 63 63 THR HA H 29 3.898 3.898 4.112 -0.214 17705 2214 1 6 . 1 1 63 63 THR CA C 29 63.704 63.704 66.121 -2.417 17705 2215 1 6 . 1 1 63 63 THR CB C 29 65.555 65.555 68.626 -3.071 17705 2216 1 6 . 1 1 63 63 THR H H 29 7.791 7.791 7.733 0.058 17705 2217 1 6 . 1 1 64 64 LEU N N 30 119.247 119.247 121.433 -2.186 17705 2218 1 6 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.201 -0.163 17705 2219 1 6 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.819 -2.719 17705 2220 1 6 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.621 -1.819 17705 2221 1 6 . 1 1 64 64 LEU H H 30 7.607 7.607 7.695 -0.088 17705 2222 1 6 . 1 1 65 65 ARG N N 31 118.798 118.798 119.281 -0.483 17705 2223 1 6 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.108 -0.468 17705 2224 1 6 . 1 1 65 65 ARG CA C 31 58.315 58.315 58.996 -0.681 17705 2225 1 6 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.864 -2.311 17705 2226 1 6 . 1 1 65 65 ARG H H 31 8.547 8.547 8.062 0.485 17705 2227 1 6 . 1 1 66 66 ARG N N 32 116.038 116.038 117.535 -1.497 17705 2228 1 6 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.328 -0.266 17705 2229 1 6 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.443 -1.757 17705 2230 1 6 . 1 1 66 66 ARG H H 32 7.732 7.732 7.730 0.002 17705 2231 1 6 . 1 1 67 67 VAL N N 33 115.825 115.825 118.121 -2.296 17705 2232 1 6 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.928 -0.084 17705 2233 1 6 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.393 -1.663 17705 2234 1 6 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.486 -2.996 17705 2235 1 6 . 1 1 67 67 VAL H H 33 7.837 7.837 7.520 0.317 17705 2236 1 6 . 1 1 68 68 PHE N N 34 116.175 116.175 116.604 -0.429 17705 2237 1 6 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.913 -0.416 17705 2238 1 6 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.508 0.747 17705 2239 1 6 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.271 -5.011 17705 2240 1 6 . 1 1 68 68 PHE H H 34 8.194 8.194 7.712 0.482 17705 2241 1 6 . 1 1 69 69 GLU N N 35 119.377 119.377 121.227 -1.850 17705 2242 1 6 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.222 0.827 17705 2243 1 6 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.991 -4.080 17705 2244 1 6 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.815 -2.593 17705 2245 1 6 . 1 1 69 69 GLU H H 35 8.669 8.669 8.869 -0.200 17705 2246 1 6 . 1 1 70 70 LYS N N 36 118.371 118.371 118.769 -0.398 17705 2247 1 6 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.026 -0.154 17705 2248 1 6 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.394 -2.915 17705 2249 1 6 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.474 -2.253 17705 2250 1 6 . 1 1 70 70 LYS H H 36 6.866 6.866 8.255 -1.389 17705 2251 1 6 . 1 1 71 71 TYR N N 37 115.053 115.053 118.167 -3.114 17705 2252 1 6 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.357 -0.044 17705 2253 1 6 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.728 -3.597 17705 2254 1 6 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.090 -2.328 17705 2255 1 6 . 1 1 71 71 TYR H H 37 7.637 7.637 7.742 -0.105 17705 2256 1 6 . 1 1 72 72 GLY N N 38 104.732 104.732 105.884 -1.152 17705 2257 1 6 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.365 -3.672 17705 2258 1 6 . 1 1 72 72 GLY H H 38 7.353 7.353 7.973 -0.620 17705 2259 1 6 . 1 1 73 73 ARG N N 39 115.823 115.823 119.166 -3.343 17705 2260 1 6 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.467 -0.141 17705 2261 1 6 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.159 -0.595 17705 2262 1 6 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.010 -5.159 17705 2263 1 6 . 1 1 73 73 ARG H H 39 7.975 7.975 8.117 -0.142 17705 2264 1 6 . 1 1 74 74 VAL N N 40 129.287 129.287 120.525 8.762 17705 2265 1 6 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.467 0.224 17705 2266 1 6 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.033 -1.756 17705 2267 1 6 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.673 -2.955 17705 2268 1 6 . 1 1 74 74 VAL H H 40 8.826 8.826 8.370 0.456 17705 2269 1 6 . 1 1 75 75 GLY N N 41 115.247 115.247 115.087 0.160 17705 2270 1 6 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.977 -2.767 17705 2271 1 6 . 1 1 75 75 GLY H H 41 9.023 9.023 8.132 0.891 17705 2272 1 6 . 1 1 76 76 ASP N N 42 117.313 117.313 118.706 -1.393 17705 2273 1 6 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.838 -0.191 17705 2274 1 6 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.560 -2.979 17705 2275 1 6 . 1 1 76 76 ASP H H 42 7.375 7.375 8.108 -0.733 17705 2276 1 6 . 1 1 77 77 VAL N N 43 121.209 121.209 122.955 -1.746 17705 2277 1 6 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.333 0.310 17705 2278 1 6 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.886 -1.844 17705 2279 1 6 . 1 1 77 77 VAL H H 43 7.799 7.799 8.494 -0.695 17705 2280 1 6 . 1 1 78 78 TYR N N 44 127.478 127.478 126.202 1.276 17705 2281 1 6 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.800 0.254 17705 2282 1 6 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.515 -3.622 17705 2283 1 6 . 1 1 78 78 TYR CB C 44 38.774 38.774 40.935 -2.161 17705 2284 1 6 . 1 1 78 78 TYR H H 44 9.056 9.056 8.062 0.994 17705 2285 1 6 . 1 1 79 79 ILE N N 45 128.848 128.848 119.930 8.918 17705 2286 1 6 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.310 0.087 17705 2287 1 6 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.116 -1.461 17705 2288 1 6 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.928 -3.558 17705 2289 1 6 . 1 1 79 79 ILE H H 45 8.484 8.484 8.498 -0.014 17705 2290 1 6 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.678 -0.619 17705 2291 1 6 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.674 -2.913 17705 2292 1 6 . 1 1 81 81 ARG N N 47 119.796 119.796 119.803 -0.007 17705 2293 1 6 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.173 0.263 17705 2294 1 6 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.628 -0.653 17705 2295 1 6 . 1 1 81 81 ARG H H 47 8.131 8.131 8.032 0.099 17705 2296 1 6 . 1 1 82 82 ASP N N 48 122.427 122.427 119.572 2.855 17705 2297 1 6 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.315 0.122 17705 2298 1 6 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.783 -3.135 17705 2299 1 6 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.707 -1.353 17705 2300 1 6 . 1 1 82 82 ASP H H 48 8.511 8.511 8.411 0.100 17705 2301 1 6 . 1 1 83 83 ARG N N 49 124.150 124.150 117.839 6.311 17705 2302 1 6 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.366 -0.367 17705 2303 1 6 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.870 -4.212 17705 2304 1 6 . 1 1 83 83 ARG H H 49 8.546 8.546 8.316 0.230 17705 2305 1 6 . 1 1 84 84 TYR N N 50 118.236 118.236 113.992 4.244 17705 2306 1 6 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.033 -0.380 17705 2307 1 6 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.635 -2.703 17705 2308 1 6 . 1 1 84 84 TYR H H 50 8.376 8.376 7.546 0.830 17705 2309 1 6 . 1 1 85 85 THR N N 51 111.445 111.445 114.932 -3.487 17705 2310 1 6 . 1 1 85 85 THR HA H 51 4.306 4.306 4.599 -0.293 17705 2311 1 6 . 1 1 85 85 THR CA C 51 59.280 59.280 60.083 -0.803 17705 2312 1 6 . 1 1 85 85 THR CB C 51 67.748 67.748 70.470 -2.722 17705 2313 1 6 . 1 1 85 85 THR H H 51 8.790 8.790 8.319 0.471 17705 2314 1 6 . 1 1 86 86 LYS N N 52 115.778 115.778 119.088 -3.310 17705 2315 1 6 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.556 -0.570 17705 2316 1 6 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.724 -0.534 17705 2317 1 6 . 1 1 86 86 LYS H H 52 7.947 7.947 8.497 -0.550 17705 2318 1 6 . 1 1 87 87 GLU N N 53 118.931 118.931 117.316 1.615 17705 2319 1 6 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.702 -0.380 17705 2320 1 6 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.048 -3.687 17705 2321 1 6 . 1 1 87 87 GLU H H 53 7.881 7.881 7.751 0.130 17705 2322 1 6 . 1 1 88 88 SER N N 54 116.268 116.268 114.290 1.978 17705 2323 1 6 . 1 1 88 88 SER HA H 54 4.324 4.324 4.695 -0.371 17705 2324 1 6 . 1 1 88 88 SER CA C 54 55.543 55.543 56.975 -1.432 17705 2325 1 6 . 1 1 88 88 SER CB C 54 61.291 61.291 65.091 -3.800 17705 2326 1 6 . 1 1 88 88 SER H H 54 8.472 8.472 8.524 -0.052 17705 2327 1 6 . 1 1 89 89 ARG N N 55 121.084 121.084 121.736 -0.652 17705 2328 1 6 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.583 -0.250 17705 2329 1 6 . 1 1 89 89 ARG CB C 55 28.239 28.239 31.443 -3.204 17705 2330 1 6 . 1 1 89 89 ARG H H 55 8.121 8.121 8.409 -0.288 17705 2331 1 6 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.819 -1.624 17705 2332 1 6 . 1 1 90 90 GLY H H 56 8.334 8.334 8.911 -0.577 17705 2333 1 6 . 1 1 91 91 PHE N N 57 113.361 113.361 115.520 -2.159 17705 2334 1 6 . 1 1 91 91 PHE HA H 57 5.663 5.663 4.943 0.720 17705 2335 1 6 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.294 -3.410 17705 2336 1 6 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.526 -1.067 17705 2337 1 6 . 1 1 91 91 PHE H H 57 6.980 6.980 7.478 -0.498 17705 2338 1 6 . 1 1 92 92 ALA N N 58 118.350 118.350 123.125 -4.775 17705 2339 1 6 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.622 0.194 17705 2340 1 6 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.723 -3.554 17705 2341 1 6 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.415 1.866 17705 2342 1 6 . 1 1 92 92 ALA H H 58 8.854 8.854 8.125 0.729 17705 2343 1 6 . 1 1 93 93 PHE N N 59 116.210 116.210 118.827 -2.617 17705 2344 1 6 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.656 1.135 17705 2345 1 6 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.788 -3.049 17705 2346 1 6 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.043 -2.117 17705 2347 1 6 . 1 1 93 93 PHE H H 59 9.011 9.011 7.990 1.021 17705 2348 1 6 . 1 1 94 94 VAL N N 60 123.082 123.082 121.801 1.281 17705 2349 1 6 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.409 -0.062 17705 2350 1 6 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.807 -3.111 17705 2351 1 6 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.639 -1.046 17705 2352 1 6 . 1 1 94 94 VAL H H 60 8.878 8.878 7.593 1.285 17705 2353 1 6 . 1 1 95 95 ARG N N 61 125.689 125.689 127.339 -1.650 17705 2354 1 6 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.246 -0.014 17705 2355 1 6 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.309 -2.124 17705 2356 1 6 . 1 1 95 95 ARG H H 61 8.649 8.649 8.975 -0.326 17705 2357 1 6 . 1 1 96 96 PHE N N 62 123.552 123.552 123.910 -0.358 17705 2358 1 6 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.660 0.169 17705 2359 1 6 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.597 -0.598 17705 2360 1 6 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.434 -1.951 17705 2361 1 6 . 1 1 96 96 PHE H H 62 9.152 9.152 8.487 0.665 17705 2362 1 6 . 1 1 97 97 HIS N N 63 119.487 119.487 117.994 1.493 17705 2363 1 6 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.708 -0.307 17705 2364 1 6 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.571 -3.154 17705 2365 1 6 . 1 1 97 97 HIS H H 63 7.904 7.904 7.983 -0.079 17705 2366 1 6 . 1 1 98 98 ASP N N 64 119.624 119.624 119.932 -0.308 17705 2367 1 6 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.895 0.137 17705 2368 1 6 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.094 -2.856 17705 2369 1 6 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.011 -0.441 17705 2370 1 6 . 1 1 98 98 ASP H H 64 9.103 9.103 8.056 1.047 17705 2371 1 6 . 1 1 99 99 LYS N N 65 127.479 127.479 125.891 1.588 17705 2372 1 6 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.162 -0.302 17705 2373 1 6 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.797 -1.673 17705 2374 1 6 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.269 -1.984 17705 2375 1 6 . 1 1 99 99 LYS H H 65 8.743 8.743 8.836 -0.093 17705 2376 1 6 . 1 1 100 100 ARG N N 66 118.795 118.795 118.888 -0.093 17705 2377 1 6 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.393 -0.330 17705 2378 1 6 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.601 -2.541 17705 2379 1 6 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.536 -2.763 17705 2380 1 6 . 1 1 100 100 ARG H H 66 8.604 8.604 8.941 -0.337 17705 2381 1 6 . 1 1 101 101 ASP N N 67 119.686 119.686 119.494 0.192 17705 2382 1 6 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.662 -0.460 17705 2383 1 6 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.130 -2.912 17705 2384 1 6 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.623 -2.549 17705 2385 1 6 . 1 1 101 101 ASP H H 67 7.105 7.105 7.945 -0.840 17705 2386 1 6 . 1 1 102 102 ALA N N 68 119.709 119.709 123.028 -3.319 17705 2387 1 6 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.707 -0.881 17705 2388 1 6 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.801 -3.123 17705 2389 1 6 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.548 -2.958 17705 2390 1 6 . 1 1 102 102 ALA H H 68 6.848 6.848 7.978 -1.130 17705 2391 1 6 . 1 1 103 103 GLU N N 69 117.431 117.431 119.849 -2.418 17705 2392 1 6 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.862 -0.207 17705 2393 1 6 . 1 1 103 103 GLU CA C 69 57.169 57.169 60.164 -2.995 17705 2394 1 6 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.614 -3.114 17705 2395 1 6 . 1 1 103 103 GLU H H 69 8.008 8.008 8.375 -0.367 17705 2396 1 6 . 1 1 104 104 ASP N N 70 120.512 120.512 118.675 1.837 17705 2397 1 6 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.405 -0.139 17705 2398 1 6 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.556 -3.039 17705 2399 1 6 . 1 1 104 104 ASP H H 70 8.022 8.022 7.643 0.379 17705 2400 1 6 . 1 1 105 105 ALA N N 71 122.325 122.325 121.579 0.746 17705 2401 1 6 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.604 0.181 17705 2402 1 6 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.400 -2.666 17705 2403 1 6 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.527 -1.379 17705 2404 1 6 . 1 1 105 105 ALA H H 71 8.109 8.109 7.359 0.750 17705 2405 1 6 . 1 1 106 106 MET N N 72 118.595 118.595 118.371 0.224 17705 2406 1 6 . 1 1 106 106 MET HA H 72 3.657 3.657 4.093 -0.436 17705 2407 1 6 . 1 1 106 106 MET CA C 72 57.163 57.163 58.684 -1.521 17705 2408 1 6 . 1 1 106 106 MET CB C 72 30.248 30.248 32.793 -2.545 17705 2409 1 6 . 1 1 106 106 MET H H 72 8.293 8.293 8.104 0.189 17705 2410 1 6 . 1 1 107 107 ASP N N 73 117.126 117.126 118.787 -1.661 17705 2411 1 6 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.815 -0.491 17705 2412 1 6 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.700 -1.652 17705 2413 1 6 . 1 1 107 107 ASP CB C 73 38.348 38.348 41.070 -2.722 17705 2414 1 6 . 1 1 107 107 ASP H H 73 7.784 7.784 8.050 -0.266 17705 2415 1 6 . 1 1 108 108 ALA N N 74 117.971 117.971 118.655 -0.684 17705 2416 1 6 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.896 -0.785 17705 2417 1 6 . 1 1 108 108 ALA CA C 74 51.374 51.374 51.867 -0.493 17705 2418 1 6 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.078 -2.425 17705 2419 1 6 . 1 1 108 108 ALA H H 74 7.366 7.366 7.441 -0.075 17705 2420 1 6 . 1 1 109 109 MET N N 75 112.248 112.248 114.858 -2.610 17705 2421 1 6 . 1 1 109 109 MET HA H 75 4.756 4.756 4.567 0.189 17705 2422 1 6 . 1 1 109 109 MET CA C 75 50.696 50.696 54.437 -3.741 17705 2423 1 6 . 1 1 109 109 MET H H 75 8.077 8.077 7.449 0.628 17705 2424 1 6 . 1 1 110 110 ASP N N 76 120.144 120.144 121.352 -1.208 17705 2425 1 6 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.405 0.008 17705 2426 1 6 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.926 -0.996 17705 2427 1 6 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.023 -2.443 17705 2428 1 6 . 1 1 110 110 ASP H H 76 7.915 7.915 7.904 0.011 17705 2429 1 6 . 1 1 111 111 GLY N N 77 117.810 117.810 113.836 3.974 17705 2430 1 6 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.904 -3.056 17705 2431 1 6 . 1 1 111 111 GLY H H 77 8.680 8.680 8.803 -0.123 17705 2432 1 6 . 1 1 112 112 ALA N N 78 123.748 123.748 121.647 2.101 17705 2433 1 6 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.398 -0.071 17705 2434 1 6 . 1 1 112 112 ALA CA C 78 48.968 48.968 50.834 -1.866 17705 2435 1 6 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.308 -1.829 17705 2436 1 6 . 1 1 112 112 ALA H H 78 7.918 7.918 7.475 0.443 17705 2437 1 6 . 1 1 113 113 VAL N N 79 118.622 118.622 117.772 0.850 17705 2438 1 6 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.909 0.731 17705 2439 1 6 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.560 -1.938 17705 2440 1 6 . 1 1 113 113 VAL H H 79 8.091 8.091 7.826 0.265 17705 2441 1 6 . 1 1 114 114 LEU N N 80 129.451 129.451 125.324 4.127 17705 2442 1 6 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.209 0.336 17705 2443 1 6 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.919 -4.971 17705 2444 1 6 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.833 0.847 17705 2445 1 6 . 1 1 114 114 LEU H H 80 8.875 8.875 8.514 0.361 17705 2446 1 6 . 1 1 115 115 ASP N N 81 129.610 129.610 117.560 12.050 17705 2447 1 6 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.741 -0.508 17705 2448 1 6 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.293 -2.018 17705 2449 1 6 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.931 -4.673 17705 2450 1 6 . 1 1 115 115 ASP H H 81 9.445 9.445 8.023 1.422 17705 2451 1 6 . 1 1 116 116 GLY N N 82 100.657 100.657 106.984 -6.327 17705 2452 1 6 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.747 -2.862 17705 2453 1 6 . 1 1 116 116 GLY H H 82 8.008 8.008 8.310 -0.302 17705 2454 1 6 . 1 1 117 117 ARG N N 83 120.179 120.179 118.560 1.619 17705 2455 1 6 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.653 -0.107 17705 2456 1 6 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.950 -5.003 17705 2457 1 6 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.718 -1.150 17705 2458 1 6 . 1 1 117 117 ARG H H 83 7.499 7.499 8.222 -0.723 17705 2459 1 6 . 1 1 118 118 GLU N N 84 121.274 121.274 118.866 2.408 17705 2460 1 6 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.217 0.102 17705 2461 1 6 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.314 -3.297 17705 2462 1 6 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.890 -2.701 17705 2463 1 6 . 1 1 118 118 GLU H H 84 8.369 8.369 8.028 0.341 17705 2464 1 6 . 1 1 119 119 LEU N N 85 128.104 128.104 123.410 4.694 17705 2465 1 6 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.139 0.411 17705 2466 1 6 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.221 -4.435 17705 2467 1 6 . 1 1 119 119 LEU CB C 85 40.888 40.888 43.046 -2.158 17705 2468 1 6 . 1 1 119 119 LEU H H 85 9.356 9.356 8.529 0.827 17705 2469 1 6 . 1 1 120 120 ARG N N 86 121.349 121.349 120.560 0.789 17705 2470 1 6 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.106 0.048 17705 2471 1 6 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.596 -1.947 17705 2472 1 6 . 1 1 120 120 ARG CB C 86 29.575 29.575 32.773 -3.197 17705 2473 1 6 . 1 1 120 120 ARG H H 86 7.677 7.677 8.237 -0.560 17705 2474 1 6 . 1 1 121 121 VAL N N 87 126.888 126.888 123.098 3.790 17705 2475 1 6 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.819 0.322 17705 2476 1 6 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.903 -2.378 17705 2477 1 6 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.810 -2.877 17705 2478 1 6 . 1 1 121 121 VAL H H 87 9.435 9.435 9.027 0.408 17705 2479 1 6 . 1 1 122 122 GLN N N 88 122.184 122.184 122.347 -0.163 17705 2480 1 6 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.724 0.211 17705 2481 1 6 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.888 -2.898 17705 2482 1 6 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.094 -0.734 17705 2483 1 6 . 1 1 122 122 GLN H H 88 8.520 8.520 9.014 -0.494 17705 2484 1 6 . 1 1 123 123 MET N N 89 122.187 122.187 120.133 2.054 17705 2485 1 6 . 1 1 123 123 MET HA H 89 4.660 4.660 4.295 0.365 17705 2486 1 6 . 1 1 123 123 MET CB C 89 29.398 29.398 32.003 -2.605 17705 2487 1 6 . 1 1 123 123 MET H H 89 8.699 8.699 8.972 -0.273 17705 2488 1 6 . 1 1 124 124 ALA N N 90 127.406 127.406 125.689 1.717 17705 2489 1 6 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.194 0.255 17705 2490 1 6 . 1 1 124 124 ALA CA C 90 49.582 49.582 51.785 -2.203 17705 2491 1 6 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.040 -2.242 17705 2492 1 6 . 1 1 124 124 ALA H H 90 8.592 8.592 8.762 -0.170 17705 2493 1 6 . 1 1 125 125 ARG N N 91 119.981 119.981 113.892 6.089 17705 2494 1 6 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.767 0.552 17705 2495 1 6 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.355 -4.137 17705 2496 1 6 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.824 0.810 17705 2497 1 6 . 1 1 125 125 ARG H H 91 8.299 8.299 8.297 0.002 17705 2498 1 6 . 1 1 126 126 TYR N N 92 121.757 121.757 116.788 4.969 17705 2499 1 6 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.748 -0.282 17705 2500 1 6 . 1 1 126 126 TYR CA C 92 55.090 55.090 55.960 -0.870 17705 2501 1 6 . 1 1 126 126 TYR CB C 92 36.470 36.470 41.693 -5.223 17705 2502 1 6 . 1 1 126 126 TYR H H 92 8.182 8.182 7.528 0.654 17705 2503 1 6 . 1 1 127 127 GLY N N 93 110.707 110.707 107.683 3.024 17705 2504 1 6 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.392 -3.050 17705 2505 1 6 . 1 1 127 127 GLY H H 93 7.969 7.969 8.505 -0.536 17705 2506 1 6 . 1 1 128 128 ARG N N 94 121.504 121.504 120.855 0.649 17705 2507 1 6 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.739 -0.274 17705 2508 1 6 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.658 -2.609 17705 2509 1 6 . 1 1 128 128 ARG H H 94 7.930 7.930 8.391 -0.461 17705 2510 1 6 . 1 1 131 131 ASP N N 97 120.004 120.004 117.655 2.349 17705 2511 1 6 . 1 1 131 131 ASP H H 97 8.289 8.289 8.222 0.067 17705 2512 1 6 . 1 1 132 132 SER N N 98 115.594 115.594 113.101 2.493 17705 2513 1 6 . 1 1 132 132 SER HA H 98 4.348 4.348 4.642 -0.294 17705 2514 1 6 . 1 1 132 132 SER CB C 98 61.181 61.181 63.417 -2.236 17705 2515 1 6 . 1 1 132 132 SER H H 98 8.128 8.128 8.041 0.087 17705 2516 1 6 . 1 1 133 133 HIS CB C 99 27.069 27.069 28.574 -1.505 17705 2517 1 6 . 1 1 133 133 HIS H H 99 8.290 8.290 8.688 -0.398 17705 2518 1 6 . 1 1 134 134 HIS N N 100 120.371 120.371 120.925 -0.554 17705 2519 1 6 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.308 -3.258 17705 2520 1 6 . 1 1 134 134 HIS H H 100 7.251 7.251 8.753 -1.502 17705 2521 1 7 . 1 1 36 36 SER N N 2 116.240 116.240 118.409 -2.169 17705 2522 1 7 . 1 1 36 36 SER HA H 2 4.389 4.389 4.225 0.164 17705 2523 1 7 . 1 1 36 36 SER CB C 2 61.141 61.141 62.839 -1.698 17705 2524 1 7 . 1 1 36 36 SER H H 2 8.111 8.111 8.574 -0.463 17705 2525 1 7 . 1 1 37 37 TYR N N 3 121.776 121.776 114.684 7.092 17705 2526 1 7 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.709 -0.164 17705 2527 1 7 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.915 -2.620 17705 2528 1 7 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.916 -3.803 17705 2529 1 7 . 1 1 37 37 TYR H H 3 8.062 8.062 7.909 0.153 17705 2530 1 7 . 1 1 38 38 GLY N N 4 110.102 110.102 107.874 2.228 17705 2531 1 7 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.879 -2.301 17705 2532 1 7 . 1 1 38 38 GLY H H 4 8.221 8.221 7.308 0.913 17705 2533 1 7 . 1 1 39 39 ARG N N 5 121.307 121.307 120.317 0.990 17705 2534 1 7 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.821 -0.239 17705 2535 1 7 . 1 1 39 39 ARG CA C 5 51.020 51.020 53.478 -2.458 17705 2536 1 7 . 1 1 39 39 ARG CB C 5 27.731 27.731 32.795 -5.064 17705 2537 1 7 . 1 1 39 39 ARG H H 5 7.967 7.967 9.033 -1.066 17705 2538 1 7 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.457 -0.126 17705 2539 1 7 . 1 1 42 42 PRO CA C 8 60.519 60.519 63.208 -2.689 17705 2540 1 7 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.314 -3.024 17705 2541 1 7 . 1 1 43 43 ASP N N 9 119.234 119.234 117.063 2.171 17705 2542 1 7 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.685 -0.143 17705 2543 1 7 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.146 -3.727 17705 2544 1 7 . 1 1 43 43 ASP H H 9 8.260 8.260 8.589 -0.329 17705 2545 1 7 . 1 1 44 44 VAL N N 10 119.005 119.005 113.931 5.074 17705 2546 1 7 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.603 0.428 17705 2547 1 7 . 1 1 44 44 VAL CA C 10 60.068 60.068 62.995 -2.927 17705 2548 1 7 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.602 -0.754 17705 2549 1 7 . 1 1 44 44 VAL H H 10 7.903 7.903 7.923 -0.020 17705 2550 1 7 . 1 1 45 45 GLU N N 11 122.556 122.556 119.954 2.602 17705 2551 1 7 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.160 -0.028 17705 2552 1 7 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.623 -2.865 17705 2553 1 7 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.245 -2.035 17705 2554 1 7 . 1 1 45 45 GLU H H 11 8.304 8.304 8.776 -0.472 17705 2555 1 7 . 1 1 46 46 GLY N N 12 108.250 108.250 105.822 2.428 17705 2556 1 7 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.928 -2.156 17705 2557 1 7 . 1 1 46 46 GLY H H 12 8.187 8.187 7.895 0.292 17705 2558 1 7 . 1 1 47 47 MET N N 13 118.678 118.678 119.992 -1.314 17705 2559 1 7 . 1 1 47 47 MET HA H 13 4.606 4.606 4.882 -0.276 17705 2560 1 7 . 1 1 47 47 MET CB C 13 30.713 30.713 36.833 -6.120 17705 2561 1 7 . 1 1 47 47 MET H H 13 7.798 7.798 7.564 0.234 17705 2562 1 7 . 1 1 48 48 THR N N 14 116.971 116.971 117.363 -0.392 17705 2563 1 7 . 1 1 48 48 THR HA H 14 4.469 4.469 4.723 -0.254 17705 2564 1 7 . 1 1 48 48 THR CA C 14 60.072 60.072 61.891 -1.819 17705 2565 1 7 . 1 1 48 48 THR CB C 14 67.533 67.533 69.142 -1.609 17705 2566 1 7 . 1 1 48 48 THR H H 14 8.693 8.693 8.922 -0.229 17705 2567 1 7 . 1 1 49 49 SER N N 15 121.549 121.549 116.261 5.288 17705 2568 1 7 . 1 1 49 49 SER HA H 15 5.369 5.369 5.562 -0.193 17705 2569 1 7 . 1 1 49 49 SER CA C 15 55.530 55.530 57.442 -1.912 17705 2570 1 7 . 1 1 49 49 SER CB C 15 62.465 62.465 66.124 -3.659 17705 2571 1 7 . 1 1 49 49 SER H H 15 8.813 8.813 7.937 0.876 17705 2572 1 7 . 1 1 50 50 LEU N N 16 122.760 122.760 123.557 -0.797 17705 2573 1 7 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.545 0.570 17705 2574 1 7 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.848 -3.651 17705 2575 1 7 . 1 1 50 50 LEU CB C 16 41.621 41.621 45.295 -3.674 17705 2576 1 7 . 1 1 50 50 LEU H H 16 9.287 9.287 8.486 0.801 17705 2577 1 7 . 1 1 51 51 LYS N N 17 123.384 123.384 123.812 -0.428 17705 2578 1 7 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.184 -0.390 17705 2579 1 7 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.554 -1.973 17705 2580 1 7 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.586 -3.333 17705 2581 1 7 . 1 1 51 51 LYS H H 17 9.240 9.240 8.875 0.365 17705 2582 1 7 . 1 1 52 52 VAL N N 18 129.496 129.496 126.068 3.428 17705 2583 1 7 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.764 0.001 17705 2584 1 7 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.691 -2.461 17705 2585 1 7 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.472 -4.719 17705 2586 1 7 . 1 1 52 52 VAL H H 18 9.194 9.194 7.963 1.231 17705 2587 1 7 . 1 1 53 53 ASP N N 19 126.148 126.148 123.425 2.723 17705 2588 1 7 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.041 0.257 17705 2589 1 7 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.517 -1.454 17705 2590 1 7 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.879 -2.146 17705 2591 1 7 . 1 1 53 53 ASP H H 19 9.382 9.382 8.775 0.607 17705 2592 1 7 . 1 1 54 54 ASN N N 20 113.840 113.840 117.481 -3.641 17705 2593 1 7 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.624 -0.166 17705 2594 1 7 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.249 -3.122 17705 2595 1 7 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.108 -3.058 17705 2596 1 7 . 1 1 54 54 ASN H H 20 8.736 8.736 8.730 0.006 17705 2597 1 7 . 1 1 55 55 LEU N N 21 115.267 115.267 122.279 -7.012 17705 2598 1 7 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.747 -0.358 17705 2599 1 7 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.402 -2.233 17705 2600 1 7 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.611 -4.436 17705 2601 1 7 . 1 1 55 55 LEU H H 21 7.661 7.661 8.729 -1.068 17705 2602 1 7 . 1 1 56 56 THR N N 22 111.721 111.721 113.940 -2.219 17705 2603 1 7 . 1 1 56 56 THR CB C 22 68.066 68.066 70.325 -2.259 17705 2604 1 7 . 1 1 56 56 THR H H 22 8.377 8.377 8.301 0.076 17705 2605 1 7 . 1 1 57 57 TYR N N 23 122.454 122.454 119.041 3.413 17705 2606 1 7 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.181 0.127 17705 2607 1 7 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.460 -2.883 17705 2608 1 7 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.417 -2.024 17705 2609 1 7 . 1 1 57 57 TYR H H 23 8.601 8.601 7.986 0.615 17705 2610 1 7 . 1 1 58 58 ARG N N 24 114.958 114.958 118.699 -3.741 17705 2611 1 7 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.234 -0.020 17705 2612 1 7 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.565 -2.293 17705 2613 1 7 . 1 1 58 58 ARG CB C 24 27.388 27.388 31.035 -3.647 17705 2614 1 7 . 1 1 58 58 ARG H H 24 7.366 7.366 7.933 -0.567 17705 2615 1 7 . 1 1 59 59 THR N N 25 119.016 119.016 115.263 3.753 17705 2616 1 7 . 1 1 59 59 THR HA H 25 4.037 4.037 4.170 -0.133 17705 2617 1 7 . 1 1 59 59 THR CA C 25 62.031 62.031 65.013 -2.982 17705 2618 1 7 . 1 1 59 59 THR CB C 25 65.705 65.705 68.899 -3.194 17705 2619 1 7 . 1 1 59 59 THR H H 25 7.356 7.356 8.095 -0.739 17705 2620 1 7 . 1 1 60 60 SER N N 26 124.554 124.554 114.283 10.271 17705 2621 1 7 . 1 1 60 60 SER HA H 26 4.834 4.834 4.253 0.581 17705 2622 1 7 . 1 1 60 60 SER CA C 26 52.978 52.978 59.298 -6.320 17705 2623 1 7 . 1 1 60 60 SER CB C 26 61.637 61.637 62.628 -0.991 17705 2624 1 7 . 1 1 60 60 SER H H 26 8.404 8.404 7.937 0.467 17705 2625 1 7 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.295 -0.254 17705 2626 1 7 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.394 -2.317 17705 2627 1 7 . 1 1 62 62 ASP N N 28 115.821 115.821 117.147 -1.326 17705 2628 1 7 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.469 -0.096 17705 2629 1 7 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.697 -3.116 17705 2630 1 7 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.621 -2.406 17705 2631 1 7 . 1 1 62 62 ASP H H 28 8.022 8.022 8.653 -0.631 17705 2632 1 7 . 1 1 63 63 THR N N 29 118.403 118.403 116.707 1.696 17705 2633 1 7 . 1 1 63 63 THR HA H 29 3.898 3.898 4.113 -0.215 17705 2634 1 7 . 1 1 63 63 THR CA C 29 63.704 63.704 66.165 -2.461 17705 2635 1 7 . 1 1 63 63 THR CB C 29 65.555 65.555 68.628 -3.073 17705 2636 1 7 . 1 1 63 63 THR H H 29 7.791 7.791 7.702 0.089 17705 2637 1 7 . 1 1 64 64 LEU N N 30 119.247 119.247 121.434 -2.187 17705 2638 1 7 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.198 -0.160 17705 2639 1 7 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.821 -2.721 17705 2640 1 7 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.625 -1.823 17705 2641 1 7 . 1 1 64 64 LEU H H 30 7.607 7.607 7.703 -0.096 17705 2642 1 7 . 1 1 65 65 ARG N N 31 118.798 118.798 119.364 -0.566 17705 2643 1 7 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.110 -0.470 17705 2644 1 7 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.022 -0.707 17705 2645 1 7 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.866 -2.312 17705 2646 1 7 . 1 1 65 65 ARG H H 31 8.547 8.547 8.099 0.448 17705 2647 1 7 . 1 1 66 66 ARG N N 32 116.038 116.038 117.544 -1.506 17705 2648 1 7 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.331 -0.269 17705 2649 1 7 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.466 -1.780 17705 2650 1 7 . 1 1 66 66 ARG H H 32 7.732 7.732 7.739 -0.007 17705 2651 1 7 . 1 1 67 67 VAL N N 33 115.825 115.825 118.083 -2.258 17705 2652 1 7 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.939 -0.095 17705 2653 1 7 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.228 -1.498 17705 2654 1 7 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.207 -2.717 17705 2655 1 7 . 1 1 67 67 VAL H H 33 7.837 7.837 7.556 0.281 17705 2656 1 7 . 1 1 68 68 PHE N N 34 116.175 116.175 116.650 -0.475 17705 2657 1 7 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.888 -0.391 17705 2658 1 7 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.336 0.918 17705 2659 1 7 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.153 -4.893 17705 2660 1 7 . 1 1 68 68 PHE H H 34 8.194 8.194 7.699 0.495 17705 2661 1 7 . 1 1 69 69 GLU N N 35 119.377 119.377 121.274 -1.897 17705 2662 1 7 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.229 0.820 17705 2663 1 7 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.011 -4.100 17705 2664 1 7 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.835 -2.614 17705 2665 1 7 . 1 1 69 69 GLU H H 35 8.669 8.669 8.905 -0.236 17705 2666 1 7 . 1 1 70 70 LYS N N 36 118.371 118.371 118.716 -0.345 17705 2667 1 7 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.037 -0.165 17705 2668 1 7 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.368 -2.889 17705 2669 1 7 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.488 -2.268 17705 2670 1 7 . 1 1 70 70 LYS H H 36 6.866 6.866 8.264 -1.398 17705 2671 1 7 . 1 1 71 71 TYR N N 37 115.053 115.053 118.143 -3.090 17705 2672 1 7 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.356 -0.043 17705 2673 1 7 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.745 -3.614 17705 2674 1 7 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.099 -2.337 17705 2675 1 7 . 1 1 71 71 TYR H H 37 7.637 7.637 7.782 -0.145 17705 2676 1 7 . 1 1 72 72 GLY N N 38 104.732 104.732 105.844 -1.112 17705 2677 1 7 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.346 -3.653 17705 2678 1 7 . 1 1 72 72 GLY H H 38 7.353 7.353 7.982 -0.629 17705 2679 1 7 . 1 1 73 73 ARG N N 39 115.823 115.823 119.030 -3.207 17705 2680 1 7 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.474 -0.148 17705 2681 1 7 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.840 -0.276 17705 2682 1 7 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.084 -5.233 17705 2683 1 7 . 1 1 73 73 ARG H H 39 7.975 7.975 8.175 -0.200 17705 2684 1 7 . 1 1 74 74 VAL N N 40 129.287 129.287 120.483 8.804 17705 2685 1 7 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.503 0.188 17705 2686 1 7 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.806 -1.529 17705 2687 1 7 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.380 -2.662 17705 2688 1 7 . 1 1 74 74 VAL H H 40 8.826 8.826 8.496 0.330 17705 2689 1 7 . 1 1 75 75 GLY N N 41 115.247 115.247 114.983 0.264 17705 2690 1 7 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.100 -2.890 17705 2691 1 7 . 1 1 75 75 GLY H H 41 9.023 9.023 8.189 0.834 17705 2692 1 7 . 1 1 76 76 ASP N N 42 117.313 117.313 118.593 -1.280 17705 2693 1 7 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.877 -0.230 17705 2694 1 7 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.908 -3.327 17705 2695 1 7 . 1 1 76 76 ASP H H 42 7.375 7.375 8.048 -0.673 17705 2696 1 7 . 1 1 77 77 VAL N N 43 121.209 121.209 123.061 -1.852 17705 2697 1 7 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.336 0.307 17705 2698 1 7 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.823 -1.781 17705 2699 1 7 . 1 1 77 77 VAL H H 43 7.799 7.799 8.496 -0.697 17705 2700 1 7 . 1 1 78 78 TYR N N 44 127.478 127.478 126.550 0.928 17705 2701 1 7 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.827 0.227 17705 2702 1 7 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.448 -3.555 17705 2703 1 7 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.192 -2.418 17705 2704 1 7 . 1 1 78 78 TYR H H 44 9.056 9.056 8.090 0.966 17705 2705 1 7 . 1 1 79 79 ILE N N 45 128.848 128.848 119.910 8.938 17705 2706 1 7 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.298 0.099 17705 2707 1 7 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.166 -1.511 17705 2708 1 7 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.922 -3.551 17705 2709 1 7 . 1 1 79 79 ILE H H 45 8.484 8.484 8.506 -0.022 17705 2710 1 7 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.702 -0.643 17705 2711 1 7 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.604 -2.843 17705 2712 1 7 . 1 1 81 81 ARG N N 47 119.796 119.796 119.141 0.655 17705 2713 1 7 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.183 0.253 17705 2714 1 7 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.647 -0.673 17705 2715 1 7 . 1 1 81 81 ARG H H 47 8.131 8.131 7.840 0.291 17705 2716 1 7 . 1 1 82 82 ASP N N 48 122.427 122.427 119.535 2.892 17705 2717 1 7 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.270 0.167 17705 2718 1 7 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.944 -3.296 17705 2719 1 7 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.178 -0.824 17705 2720 1 7 . 1 1 82 82 ASP H H 48 8.511 8.511 8.186 0.325 17705 2721 1 7 . 1 1 83 83 ARG N N 49 124.150 124.150 117.576 6.574 17705 2722 1 7 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.407 -0.408 17705 2723 1 7 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.394 -3.736 17705 2724 1 7 . 1 1 83 83 ARG H H 49 8.546 8.546 8.344 0.202 17705 2725 1 7 . 1 1 84 84 TYR N N 50 118.236 118.236 113.951 4.285 17705 2726 1 7 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.052 -0.399 17705 2727 1 7 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.656 -2.724 17705 2728 1 7 . 1 1 84 84 TYR H H 50 8.376 8.376 7.507 0.869 17705 2729 1 7 . 1 1 85 85 THR N N 51 111.445 111.445 114.815 -3.370 17705 2730 1 7 . 1 1 85 85 THR HA H 51 4.306 4.306 4.601 -0.295 17705 2731 1 7 . 1 1 85 85 THR CA C 51 59.280 59.280 60.156 -0.875 17705 2732 1 7 . 1 1 85 85 THR CB C 51 67.748 67.748 70.400 -2.652 17705 2733 1 7 . 1 1 85 85 THR H H 51 8.790 8.790 8.337 0.453 17705 2734 1 7 . 1 1 86 86 LYS N N 52 115.778 115.778 118.685 -2.907 17705 2735 1 7 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.569 -0.583 17705 2736 1 7 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.867 -0.677 17705 2737 1 7 . 1 1 86 86 LYS H H 52 7.947 7.947 8.435 -0.488 17705 2738 1 7 . 1 1 87 87 GLU N N 53 118.931 118.931 117.527 1.404 17705 2739 1 7 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.806 -0.484 17705 2740 1 7 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.848 -3.487 17705 2741 1 7 . 1 1 87 87 GLU H H 53 7.881 7.881 7.750 0.131 17705 2742 1 7 . 1 1 88 88 SER N N 54 116.268 116.268 112.793 3.475 17705 2743 1 7 . 1 1 88 88 SER HA H 54 4.324 4.324 4.726 -0.402 17705 2744 1 7 . 1 1 88 88 SER CA C 54 55.543 55.543 55.798 -0.255 17705 2745 1 7 . 1 1 88 88 SER CB C 54 61.291 61.291 64.383 -3.092 17705 2746 1 7 . 1 1 88 88 SER H H 54 8.472 8.472 8.343 0.129 17705 2747 1 7 . 1 1 89 89 ARG N N 55 121.084 121.084 121.896 -0.812 17705 2748 1 7 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.431 -0.098 17705 2749 1 7 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.222 -1.983 17705 2750 1 7 . 1 1 89 89 ARG H H 55 8.121 8.121 8.617 -0.496 17705 2751 1 7 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.844 -1.649 17705 2752 1 7 . 1 1 90 90 GLY H H 56 8.334 8.334 7.956 0.378 17705 2753 1 7 . 1 1 91 91 PHE N N 57 113.361 113.361 114.986 -1.625 17705 2754 1 7 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.018 0.645 17705 2755 1 7 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.532 -3.648 17705 2756 1 7 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.344 -0.884 17705 2757 1 7 . 1 1 91 91 PHE H H 57 6.980 6.980 7.246 -0.266 17705 2758 1 7 . 1 1 92 92 ALA N N 58 118.350 118.350 123.099 -4.749 17705 2759 1 7 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.123 0.693 17705 2760 1 7 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.813 -3.644 17705 2761 1 7 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.172 2.108 17705 2762 1 7 . 1 1 92 92 ALA H H 58 8.854 8.854 8.156 0.698 17705 2763 1 7 . 1 1 93 93 PHE N N 59 116.210 116.210 118.710 -2.500 17705 2764 1 7 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.660 1.131 17705 2765 1 7 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.815 -3.076 17705 2766 1 7 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.203 -2.277 17705 2767 1 7 . 1 1 93 93 PHE H H 59 9.011 9.011 7.949 1.062 17705 2768 1 7 . 1 1 94 94 VAL N N 60 123.082 123.082 120.786 2.296 17705 2769 1 7 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.388 -0.041 17705 2770 1 7 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.743 -3.047 17705 2771 1 7 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.831 -1.238 17705 2772 1 7 . 1 1 94 94 VAL H H 60 8.878 8.878 7.570 1.308 17705 2773 1 7 . 1 1 95 95 ARG N N 61 125.689 125.689 127.011 -1.322 17705 2774 1 7 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.288 -0.056 17705 2775 1 7 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.130 -1.945 17705 2776 1 7 . 1 1 95 95 ARG H H 61 8.649 8.649 8.960 -0.311 17705 2777 1 7 . 1 1 96 96 PHE N N 62 123.552 123.552 123.774 -0.222 17705 2778 1 7 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.681 0.148 17705 2779 1 7 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.526 -0.527 17705 2780 1 7 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.487 -2.004 17705 2781 1 7 . 1 1 96 96 PHE H H 62 9.152 9.152 8.509 0.643 17705 2782 1 7 . 1 1 97 97 HIS N N 63 119.487 119.487 118.323 1.164 17705 2783 1 7 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.788 -0.387 17705 2784 1 7 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.595 -3.178 17705 2785 1 7 . 1 1 97 97 HIS H H 63 7.904 7.904 7.953 -0.049 17705 2786 1 7 . 1 1 98 98 ASP N N 64 119.624 119.624 119.663 -0.039 17705 2787 1 7 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.916 0.116 17705 2788 1 7 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.172 -2.934 17705 2789 1 7 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.367 -0.797 17705 2790 1 7 . 1 1 98 98 ASP H H 64 9.103 9.103 7.975 1.128 17705 2791 1 7 . 1 1 99 99 LYS N N 65 127.479 127.479 126.148 1.331 17705 2792 1 7 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.077 -0.217 17705 2793 1 7 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.864 -1.740 17705 2794 1 7 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.277 -1.992 17705 2795 1 7 . 1 1 99 99 LYS H H 65 8.743 8.743 8.833 -0.090 17705 2796 1 7 . 1 1 100 100 ARG N N 66 118.795 118.795 119.048 -0.253 17705 2797 1 7 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.418 -0.355 17705 2798 1 7 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.212 -2.152 17705 2799 1 7 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.483 -2.710 17705 2800 1 7 . 1 1 100 100 ARG H H 66 8.604 8.604 8.936 -0.332 17705 2801 1 7 . 1 1 101 101 ASP N N 67 119.686 119.686 119.039 0.647 17705 2802 1 7 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.642 -0.440 17705 2803 1 7 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.373 -3.155 17705 2804 1 7 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.531 -2.457 17705 2805 1 7 . 1 1 101 101 ASP H H 67 7.105 7.105 7.975 -0.870 17705 2806 1 7 . 1 1 102 102 ALA N N 68 119.709 119.709 123.041 -3.332 17705 2807 1 7 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.671 -0.845 17705 2808 1 7 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.869 -3.190 17705 2809 1 7 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.522 -2.932 17705 2810 1 7 . 1 1 102 102 ALA H H 68 6.848 6.848 7.999 -1.151 17705 2811 1 7 . 1 1 103 103 GLU N N 69 117.431 117.431 119.850 -2.419 17705 2812 1 7 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.887 -0.232 17705 2813 1 7 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.953 -2.784 17705 2814 1 7 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.550 -3.050 17705 2815 1 7 . 1 1 103 103 GLU H H 69 8.008 8.008 8.311 -0.303 17705 2816 1 7 . 1 1 104 104 ASP N N 70 120.512 120.512 119.136 1.376 17705 2817 1 7 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.401 -0.135 17705 2818 1 7 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.457 -2.940 17705 2819 1 7 . 1 1 104 104 ASP H H 70 8.022 8.022 7.710 0.312 17705 2820 1 7 . 1 1 105 105 ALA N N 71 122.325 122.325 121.909 0.416 17705 2821 1 7 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.591 0.194 17705 2822 1 7 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.440 -2.706 17705 2823 1 7 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.358 -1.210 17705 2824 1 7 . 1 1 105 105 ALA H H 71 8.109 8.109 7.360 0.749 17705 2825 1 7 . 1 1 106 106 MET N N 72 118.595 118.595 118.465 0.130 17705 2826 1 7 . 1 1 106 106 MET HA H 72 3.657 3.657 4.082 -0.425 17705 2827 1 7 . 1 1 106 106 MET CA C 72 57.163 57.163 58.688 -1.525 17705 2828 1 7 . 1 1 106 106 MET CB C 72 30.248 30.248 32.756 -2.508 17705 2829 1 7 . 1 1 106 106 MET H H 72 8.293 8.293 8.126 0.167 17705 2830 1 7 . 1 1 107 107 ASP N N 73 117.126 117.126 119.178 -2.052 17705 2831 1 7 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.487 -0.163 17705 2832 1 7 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.960 -1.912 17705 2833 1 7 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.912 -2.564 17705 2834 1 7 . 1 1 107 107 ASP H H 73 7.784 7.784 8.139 -0.355 17705 2835 1 7 . 1 1 108 108 ALA N N 74 117.971 117.971 117.745 0.226 17705 2836 1 7 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.459 -0.348 17705 2837 1 7 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.279 -0.905 17705 2838 1 7 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.458 -2.805 17705 2839 1 7 . 1 1 108 108 ALA H H 74 7.366 7.366 7.350 0.016 17705 2840 1 7 . 1 1 109 109 MET N N 75 112.248 112.248 115.073 -2.825 17705 2841 1 7 . 1 1 109 109 MET HA H 75 4.756 4.756 4.564 0.192 17705 2842 1 7 . 1 1 109 109 MET CA C 75 50.696 50.696 54.414 -3.719 17705 2843 1 7 . 1 1 109 109 MET H H 75 8.077 8.077 7.419 0.658 17705 2844 1 7 . 1 1 110 110 ASP N N 76 120.144 120.144 121.433 -1.289 17705 2845 1 7 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.439 -0.026 17705 2846 1 7 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.744 -0.814 17705 2847 1 7 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.007 -2.427 17705 2848 1 7 . 1 1 110 110 ASP H H 76 7.915 7.915 7.962 -0.047 17705 2849 1 7 . 1 1 111 111 GLY N N 77 117.810 117.810 114.978 2.832 17705 2850 1 7 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.872 -3.024 17705 2851 1 7 . 1 1 111 111 GLY H H 77 8.680 8.680 8.814 -0.134 17705 2852 1 7 . 1 1 112 112 ALA N N 78 123.748 123.748 121.642 2.106 17705 2853 1 7 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.318 0.009 17705 2854 1 7 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.467 -2.498 17705 2855 1 7 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.394 -1.915 17705 2856 1 7 . 1 1 112 112 ALA H H 78 7.918 7.918 7.620 0.298 17705 2857 1 7 . 1 1 113 113 VAL N N 79 118.622 118.622 117.416 1.206 17705 2858 1 7 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.831 0.809 17705 2859 1 7 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.675 -2.053 17705 2860 1 7 . 1 1 113 113 VAL H H 79 8.091 8.091 7.909 0.182 17705 2861 1 7 . 1 1 114 114 LEU N N 80 129.451 129.451 120.536 8.915 17705 2862 1 7 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.340 0.205 17705 2863 1 7 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.136 -4.188 17705 2864 1 7 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.145 1.535 17705 2865 1 7 . 1 1 114 114 LEU H H 80 8.875 8.875 8.394 0.481 17705 2866 1 7 . 1 1 115 115 ASP N N 81 129.610 129.610 119.141 10.469 17705 2867 1 7 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.740 -0.507 17705 2868 1 7 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.302 -2.027 17705 2869 1 7 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.856 -4.598 17705 2870 1 7 . 1 1 115 115 ASP H H 81 9.445 9.445 7.958 1.487 17705 2871 1 7 . 1 1 116 116 GLY N N 82 100.657 100.657 106.945 -6.288 17705 2872 1 7 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.702 -2.817 17705 2873 1 7 . 1 1 116 116 GLY H H 82 8.008 8.008 8.304 -0.296 17705 2874 1 7 . 1 1 117 117 ARG N N 83 120.179 120.179 118.374 1.805 17705 2875 1 7 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.656 -0.110 17705 2876 1 7 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.115 -5.167 17705 2877 1 7 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.754 -1.186 17705 2878 1 7 . 1 1 117 117 ARG H H 83 7.499 7.499 8.224 -0.725 17705 2879 1 7 . 1 1 118 118 GLU N N 84 121.274 121.274 119.772 1.502 17705 2880 1 7 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.329 -0.010 17705 2881 1 7 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.420 -3.404 17705 2882 1 7 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.814 -2.625 17705 2883 1 7 . 1 1 118 118 GLU H H 84 8.369 8.369 8.205 0.164 17705 2884 1 7 . 1 1 119 119 LEU N N 85 128.104 128.104 122.078 6.026 17705 2885 1 7 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.106 0.444 17705 2886 1 7 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.655 -4.869 17705 2887 1 7 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.767 -1.879 17705 2888 1 7 . 1 1 119 119 LEU H H 85 9.356 9.356 8.475 0.881 17705 2889 1 7 . 1 1 120 120 ARG N N 86 121.349 121.349 120.371 0.978 17705 2890 1 7 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.064 0.090 17705 2891 1 7 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.832 -2.183 17705 2892 1 7 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.545 -3.970 17705 2893 1 7 . 1 1 120 120 ARG H H 86 7.677 7.677 8.099 -0.422 17705 2894 1 7 . 1 1 121 121 VAL N N 87 126.888 126.888 122.803 4.085 17705 2895 1 7 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.712 0.429 17705 2896 1 7 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.855 -2.330 17705 2897 1 7 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.203 -3.270 17705 2898 1 7 . 1 1 121 121 VAL H H 87 9.435 9.435 9.150 0.285 17705 2899 1 7 . 1 1 122 122 GLN N N 88 122.184 122.184 120.732 1.452 17705 2900 1 7 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.703 0.232 17705 2901 1 7 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.426 -2.436 17705 2902 1 7 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.467 -0.107 17705 2903 1 7 . 1 1 122 122 GLN H H 88 8.520 8.520 8.810 -0.290 17705 2904 1 7 . 1 1 123 123 MET N N 89 122.187 122.187 120.069 2.118 17705 2905 1 7 . 1 1 123 123 MET HA H 89 4.660 4.660 4.335 0.325 17705 2906 1 7 . 1 1 123 123 MET CB C 89 29.398 29.398 32.202 -2.804 17705 2907 1 7 . 1 1 123 123 MET H H 89 8.699 8.699 8.949 -0.250 17705 2908 1 7 . 1 1 124 124 ALA N N 90 127.406 127.406 125.232 2.174 17705 2909 1 7 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.235 0.214 17705 2910 1 7 . 1 1 124 124 ALA CA C 90 49.582 49.582 51.599 -2.017 17705 2911 1 7 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.195 -2.397 17705 2912 1 7 . 1 1 124 124 ALA H H 90 8.592 8.592 8.704 -0.112 17705 2913 1 7 . 1 1 125 125 ARG N N 91 119.981 119.981 114.110 5.871 17705 2914 1 7 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.742 0.577 17705 2915 1 7 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.401 -4.183 17705 2916 1 7 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.882 0.752 17705 2917 1 7 . 1 1 125 125 ARG H H 91 8.299 8.299 8.168 0.131 17705 2918 1 7 . 1 1 126 126 TYR N N 92 121.757 121.757 117.266 4.491 17705 2919 1 7 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.812 -0.346 17705 2920 1 7 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.208 -1.118 17705 2921 1 7 . 1 1 126 126 TYR CB C 92 36.470 36.470 41.813 -5.343 17705 2922 1 7 . 1 1 126 126 TYR H H 92 8.182 8.182 8.057 0.125 17705 2923 1 7 . 1 1 127 127 GLY N N 93 110.707 110.707 107.246 3.461 17705 2924 1 7 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.786 -2.444 17705 2925 1 7 . 1 1 127 127 GLY H H 93 7.969 7.969 8.360 -0.391 17705 2926 1 7 . 1 1 128 128 ARG N N 94 121.504 121.504 119.915 1.589 17705 2927 1 7 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.822 -0.357 17705 2928 1 7 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.972 -2.923 17705 2929 1 7 . 1 1 128 128 ARG H H 94 7.930 7.930 8.558 -0.628 17705 2930 1 7 . 1 1 131 131 ASP N N 97 120.004 120.004 117.299 2.705 17705 2931 1 7 . 1 1 131 131 ASP H H 97 8.289 8.289 8.229 0.060 17705 2932 1 7 . 1 1 132 132 SER N N 98 115.594 115.594 114.106 1.488 17705 2933 1 7 . 1 1 132 132 SER HA H 98 4.348 4.348 4.779 -0.430 17705 2934 1 7 . 1 1 132 132 SER CB C 98 61.181 61.181 64.964 -3.783 17705 2935 1 7 . 1 1 132 132 SER H H 98 8.128 8.128 7.967 0.161 17705 2936 1 7 . 1 1 133 133 HIS CB C 99 27.069 27.069 29.207 -2.138 17705 2937 1 7 . 1 1 133 133 HIS H H 99 8.290 8.290 7.647 0.643 17705 2938 1 7 . 1 1 134 134 HIS N N 100 120.371 120.371 116.954 3.417 17705 2939 1 7 . 1 1 134 134 HIS CB C 100 27.050 27.050 29.551 -2.501 17705 2940 1 7 . 1 1 134 134 HIS H H 100 7.251 7.251 7.930 -0.679 17705 2941 1 8 . 1 1 36 36 SER N N 2 116.240 116.240 120.761 -4.521 17705 2942 1 8 . 1 1 36 36 SER HA H 2 4.389 4.389 4.971 -0.582 17705 2943 1 8 . 1 1 36 36 SER CB C 2 61.141 61.141 66.614 -5.473 17705 2944 1 8 . 1 1 36 36 SER H H 2 8.111 8.111 8.865 -0.754 17705 2945 1 8 . 1 1 37 37 TYR N N 3 121.776 121.776 115.629 6.147 17705 2946 1 8 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.977 -0.432 17705 2947 1 8 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.184 -1.889 17705 2948 1 8 . 1 1 37 37 TYR CB C 3 36.113 36.113 40.456 -4.343 17705 2949 1 8 . 1 1 37 37 TYR H H 3 8.062 8.062 8.028 0.034 17705 2950 1 8 . 1 1 38 38 GLY N N 4 110.102 110.102 107.169 2.933 17705 2951 1 8 . 1 1 38 38 GLY CA C 4 42.578 42.578 45.257 -2.679 17705 2952 1 8 . 1 1 38 38 GLY H H 4 8.221 8.221 9.505 -1.284 17705 2953 1 8 . 1 1 39 39 ARG N N 5 121.307 121.307 119.766 1.541 17705 2954 1 8 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.842 -0.260 17705 2955 1 8 . 1 1 39 39 ARG CA C 5 51.020 51.020 53.139 -2.119 17705 2956 1 8 . 1 1 39 39 ARG CB C 5 27.731 27.731 32.556 -4.825 17705 2957 1 8 . 1 1 39 39 ARG H H 5 7.967 7.967 8.544 -0.577 17705 2958 1 8 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.688 -0.357 17705 2959 1 8 . 1 1 42 42 PRO CA C 8 60.519 60.519 63.055 -2.536 17705 2960 1 8 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.803 -4.513 17705 2961 1 8 . 1 1 43 43 ASP N N 9 119.234 119.234 116.299 2.935 17705 2962 1 8 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.599 -0.057 17705 2963 1 8 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.972 -4.553 17705 2964 1 8 . 1 1 43 43 ASP H H 9 8.260 8.260 8.280 -0.020 17705 2965 1 8 . 1 1 44 44 VAL N N 10 119.005 119.005 115.231 3.774 17705 2966 1 8 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.656 0.375 17705 2967 1 8 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.537 -3.469 17705 2968 1 8 . 1 1 44 44 VAL CB C 10 29.848 29.848 29.822 0.026 17705 2969 1 8 . 1 1 44 44 VAL H H 10 7.903 7.903 7.979 -0.076 17705 2970 1 8 . 1 1 45 45 GLU N N 11 122.556 122.556 119.790 2.766 17705 2971 1 8 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.148 -0.016 17705 2972 1 8 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.598 -2.840 17705 2973 1 8 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.364 -2.155 17705 2974 1 8 . 1 1 45 45 GLU H H 11 8.304 8.304 8.643 -0.339 17705 2975 1 8 . 1 1 46 46 GLY N N 12 108.250 108.250 104.293 3.957 17705 2976 1 8 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.084 -2.312 17705 2977 1 8 . 1 1 46 46 GLY H H 12 8.187 8.187 8.011 0.176 17705 2978 1 8 . 1 1 47 47 MET N N 13 118.678 118.678 118.943 -0.265 17705 2979 1 8 . 1 1 47 47 MET HA H 13 4.606 4.606 5.207 -0.601 17705 2980 1 8 . 1 1 47 47 MET CB C 13 30.713 30.713 37.331 -6.618 17705 2981 1 8 . 1 1 47 47 MET H H 13 7.798 7.798 7.370 0.428 17705 2982 1 8 . 1 1 48 48 THR N N 14 116.971 116.971 115.724 1.247 17705 2983 1 8 . 1 1 48 48 THR HA H 14 4.469 4.469 4.697 -0.228 17705 2984 1 8 . 1 1 48 48 THR CA C 14 60.072 60.072 62.023 -1.951 17705 2985 1 8 . 1 1 48 48 THR CB C 14 67.533 67.533 71.955 -4.422 17705 2986 1 8 . 1 1 48 48 THR H H 14 8.693 8.693 8.062 0.631 17705 2987 1 8 . 1 1 49 49 SER N N 15 121.549 121.549 116.066 5.483 17705 2988 1 8 . 1 1 49 49 SER HA H 15 5.369 5.369 4.822 0.547 17705 2989 1 8 . 1 1 49 49 SER CA C 15 55.530 55.530 58.772 -3.242 17705 2990 1 8 . 1 1 49 49 SER CB C 15 62.465 62.465 64.137 -1.672 17705 2991 1 8 . 1 1 49 49 SER H H 15 8.813 8.813 8.849 -0.036 17705 2992 1 8 . 1 1 50 50 LEU N N 16 122.760 122.760 124.517 -1.757 17705 2993 1 8 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.568 0.547 17705 2994 1 8 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.605 -3.408 17705 2995 1 8 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.928 -3.307 17705 2996 1 8 . 1 1 50 50 LEU H H 16 9.287 9.287 8.404 0.883 17705 2997 1 8 . 1 1 51 51 LYS N N 17 123.384 123.384 123.161 0.223 17705 2998 1 8 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.242 -0.448 17705 2999 1 8 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.565 -1.984 17705 3000 1 8 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.976 -3.723 17705 3001 1 8 . 1 1 51 51 LYS H H 17 9.240 9.240 8.881 0.359 17705 3002 1 8 . 1 1 52 52 VAL N N 18 129.496 129.496 125.595 3.901 17705 3003 1 8 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.675 0.090 17705 3004 1 8 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.769 -2.539 17705 3005 1 8 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.826 -5.073 17705 3006 1 8 . 1 1 52 52 VAL H H 18 9.194 9.194 7.948 1.246 17705 3007 1 8 . 1 1 53 53 ASP N N 19 126.148 126.148 124.343 1.805 17705 3008 1 8 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.120 0.178 17705 3009 1 8 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.631 -2.568 17705 3010 1 8 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.808 -2.075 17705 3011 1 8 . 1 1 53 53 ASP H H 19 9.382 9.382 8.967 0.415 17705 3012 1 8 . 1 1 54 54 ASN N N 20 113.840 113.840 117.017 -3.177 17705 3013 1 8 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.628 -0.170 17705 3014 1 8 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.246 -3.119 17705 3015 1 8 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.209 -3.159 17705 3016 1 8 . 1 1 54 54 ASN H H 20 8.736 8.736 8.643 0.093 17705 3017 1 8 . 1 1 55 55 LEU N N 21 115.267 115.267 122.880 -7.613 17705 3018 1 8 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.792 -0.403 17705 3019 1 8 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.723 -2.554 17705 3020 1 8 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.899 -4.724 17705 3021 1 8 . 1 1 55 55 LEU H H 21 7.661 7.661 8.520 -0.859 17705 3022 1 8 . 1 1 56 56 THR N N 22 111.721 111.721 114.807 -3.086 17705 3023 1 8 . 1 1 56 56 THR CB C 22 68.066 68.066 69.448 -1.382 17705 3024 1 8 . 1 1 56 56 THR H H 22 8.377 8.377 8.503 -0.126 17705 3025 1 8 . 1 1 57 57 TYR N N 23 122.454 122.454 117.506 4.948 17705 3026 1 8 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.268 0.040 17705 3027 1 8 . 1 1 57 57 TYR CA C 23 56.577 56.577 58.445 -1.868 17705 3028 1 8 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.646 -2.253 17705 3029 1 8 . 1 1 57 57 TYR H H 23 8.601 8.601 8.026 0.575 17705 3030 1 8 . 1 1 58 58 ARG N N 24 114.958 114.958 117.813 -2.855 17705 3031 1 8 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.231 -0.017 17705 3032 1 8 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.380 -2.109 17705 3033 1 8 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.988 -3.599 17705 3034 1 8 . 1 1 58 58 ARG H H 24 7.366 7.366 8.308 -0.942 17705 3035 1 8 . 1 1 59 59 THR N N 25 119.016 119.016 115.665 3.351 17705 3036 1 8 . 1 1 59 59 THR HA H 25 4.037 4.037 4.094 -0.057 17705 3037 1 8 . 1 1 59 59 THR CA C 25 62.031 62.031 64.621 -2.590 17705 3038 1 8 . 1 1 59 59 THR CB C 25 65.705 65.705 68.972 -3.267 17705 3039 1 8 . 1 1 59 59 THR H H 25 7.356 7.356 8.142 -0.786 17705 3040 1 8 . 1 1 60 60 SER N N 26 124.554 124.554 114.142 10.412 17705 3041 1 8 . 1 1 60 60 SER HA H 26 4.834 4.834 4.246 0.588 17705 3042 1 8 . 1 1 60 60 SER CA C 26 52.978 52.978 58.176 -5.198 17705 3043 1 8 . 1 1 60 60 SER CB C 26 61.637 61.637 63.041 -1.404 17705 3044 1 8 . 1 1 60 60 SER H H 26 8.404 8.404 7.855 0.549 17705 3045 1 8 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.288 -0.247 17705 3046 1 8 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.262 -2.185 17705 3047 1 8 . 1 1 62 62 ASP N N 28 115.821 115.821 118.526 -2.705 17705 3048 1 8 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.475 -0.102 17705 3049 1 8 . 1 1 62 62 ASP CA C 28 54.581 54.581 58.009 -3.428 17705 3050 1 8 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.032 -1.817 17705 3051 1 8 . 1 1 62 62 ASP H H 28 8.022 8.022 8.695 -0.673 17705 3052 1 8 . 1 1 63 63 THR N N 29 118.403 118.403 117.226 1.177 17705 3053 1 8 . 1 1 63 63 THR HA H 29 3.898 3.898 4.126 -0.228 17705 3054 1 8 . 1 1 63 63 THR CA C 29 63.704 63.704 66.287 -2.583 17705 3055 1 8 . 1 1 63 63 THR CB C 29 65.555 65.555 68.655 -3.100 17705 3056 1 8 . 1 1 63 63 THR H H 29 7.791 7.791 7.715 0.076 17705 3057 1 8 . 1 1 64 64 LEU N N 30 119.247 119.247 121.176 -1.929 17705 3058 1 8 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.183 -0.145 17705 3059 1 8 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.847 -2.748 17705 3060 1 8 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.578 -1.776 17705 3061 1 8 . 1 1 64 64 LEU H H 30 7.607 7.607 7.626 -0.019 17705 3062 1 8 . 1 1 65 65 ARG N N 31 118.798 118.798 119.310 -0.512 17705 3063 1 8 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.101 -0.461 17705 3064 1 8 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.033 -0.718 17705 3065 1 8 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.828 -2.274 17705 3066 1 8 . 1 1 65 65 ARG H H 31 8.547 8.547 8.031 0.516 17705 3067 1 8 . 1 1 66 66 ARG N N 32 116.038 116.038 117.597 -1.559 17705 3068 1 8 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.323 -0.261 17705 3069 1 8 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.496 -1.810 17705 3070 1 8 . 1 1 66 66 ARG H H 32 7.732 7.732 7.661 0.071 17705 3071 1 8 . 1 1 67 67 VAL N N 33 115.825 115.825 118.170 -2.345 17705 3072 1 8 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.919 -0.075 17705 3073 1 8 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.465 -1.735 17705 3074 1 8 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.122 -2.632 17705 3075 1 8 . 1 1 67 67 VAL H H 33 7.837 7.837 7.635 0.202 17705 3076 1 8 . 1 1 68 68 PHE N N 34 116.175 116.175 116.484 -0.309 17705 3077 1 8 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.886 -0.389 17705 3078 1 8 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.406 0.848 17705 3079 1 8 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.155 -4.895 17705 3080 1 8 . 1 1 68 68 PHE H H 34 8.194 8.194 7.679 0.515 17705 3081 1 8 . 1 1 69 69 GLU N N 35 119.377 119.377 121.206 -1.829 17705 3082 1 8 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.206 0.843 17705 3083 1 8 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.988 -4.077 17705 3084 1 8 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.804 -2.582 17705 3085 1 8 . 1 1 69 69 GLU H H 35 8.669 8.669 8.880 -0.211 17705 3086 1 8 . 1 1 70 70 LYS N N 36 118.371 118.371 119.499 -1.128 17705 3087 1 8 . 1 1 70 70 LYS HA H 36 3.872 3.872 3.992 -0.120 17705 3088 1 8 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.437 -2.958 17705 3089 1 8 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.383 -2.163 17705 3090 1 8 . 1 1 70 70 LYS H H 36 6.866 6.866 8.259 -1.393 17705 3091 1 8 . 1 1 71 71 TYR N N 37 115.053 115.053 118.158 -3.105 17705 3092 1 8 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.341 -0.028 17705 3093 1 8 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.795 -3.664 17705 3094 1 8 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.049 -2.287 17705 3095 1 8 . 1 1 71 71 TYR H H 37 7.637 7.637 7.773 -0.136 17705 3096 1 8 . 1 1 72 72 GLY N N 38 104.732 104.732 105.973 -1.241 17705 3097 1 8 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.337 -3.644 17705 3098 1 8 . 1 1 72 72 GLY H H 38 7.353 7.353 7.995 -0.642 17705 3099 1 8 . 1 1 73 73 ARG N N 39 115.823 115.823 119.102 -3.279 17705 3100 1 8 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.469 -0.143 17705 3101 1 8 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.829 -0.265 17705 3102 1 8 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.145 -5.294 17705 3103 1 8 . 1 1 73 73 ARG H H 39 7.975 7.975 8.193 -0.218 17705 3104 1 8 . 1 1 74 74 VAL N N 40 129.287 129.287 121.100 8.187 17705 3105 1 8 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.472 0.219 17705 3106 1 8 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.625 -1.348 17705 3107 1 8 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.327 -2.609 17705 3108 1 8 . 1 1 74 74 VAL H H 40 8.826 8.826 8.423 0.403 17705 3109 1 8 . 1 1 75 75 GLY N N 41 115.247 115.247 115.158 0.089 17705 3110 1 8 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.161 -2.951 17705 3111 1 8 . 1 1 75 75 GLY H H 41 9.023 9.023 8.293 0.730 17705 3112 1 8 . 1 1 76 76 ASP N N 42 117.313 117.313 118.367 -1.054 17705 3113 1 8 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.817 -0.170 17705 3114 1 8 . 1 1 76 76 ASP CB C 42 41.581 41.581 45.197 -3.616 17705 3115 1 8 . 1 1 76 76 ASP H H 42 7.375 7.375 8.128 -0.753 17705 3116 1 8 . 1 1 77 77 VAL N N 43 121.209 121.209 122.838 -1.629 17705 3117 1 8 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.334 0.309 17705 3118 1 8 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.849 -1.807 17705 3119 1 8 . 1 1 77 77 VAL H H 43 7.799 7.799 8.492 -0.693 17705 3120 1 8 . 1 1 78 78 TYR N N 44 127.478 127.478 126.442 1.036 17705 3121 1 8 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.807 0.247 17705 3122 1 8 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.509 -3.616 17705 3123 1 8 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.083 -2.309 17705 3124 1 8 . 1 1 78 78 TYR H H 44 9.056 9.056 8.080 0.976 17705 3125 1 8 . 1 1 79 79 ILE N N 45 128.848 128.848 119.916 8.932 17705 3126 1 8 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.292 0.105 17705 3127 1 8 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.165 -1.510 17705 3128 1 8 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.772 -3.402 17705 3129 1 8 . 1 1 79 79 ILE H H 45 8.484 8.484 8.496 -0.012 17705 3130 1 8 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.600 -0.541 17705 3131 1 8 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.351 -2.590 17705 3132 1 8 . 1 1 81 81 ARG N N 47 119.796 119.796 118.814 0.982 17705 3133 1 8 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.108 0.328 17705 3134 1 8 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.658 -0.684 17705 3135 1 8 . 1 1 81 81 ARG H H 47 8.131 8.131 7.669 0.462 17705 3136 1 8 . 1 1 82 82 ASP N N 48 122.427 122.427 120.084 2.343 17705 3137 1 8 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.440 -0.003 17705 3138 1 8 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.006 -3.358 17705 3139 1 8 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.800 -1.446 17705 3140 1 8 . 1 1 82 82 ASP H H 48 8.511 8.511 8.030 0.481 17705 3141 1 8 . 1 1 83 83 ARG N N 49 124.150 124.150 118.872 5.278 17705 3142 1 8 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.455 -0.456 17705 3143 1 8 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.367 -3.709 17705 3144 1 8 . 1 1 83 83 ARG H H 49 8.546 8.546 8.188 0.358 17705 3145 1 8 . 1 1 84 84 TYR N N 50 118.236 118.236 115.629 2.607 17705 3146 1 8 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.053 -0.400 17705 3147 1 8 . 1 1 84 84 TYR CB C 50 35.932 35.932 39.298 -3.366 17705 3148 1 8 . 1 1 84 84 TYR H H 50 8.376 8.376 8.501 -0.125 17705 3149 1 8 . 1 1 85 85 THR N N 51 111.445 111.445 111.553 -0.108 17705 3150 1 8 . 1 1 85 85 THR HA H 51 4.306 4.306 4.461 -0.155 17705 3151 1 8 . 1 1 85 85 THR CA C 51 59.280 59.280 61.286 -2.006 17705 3152 1 8 . 1 1 85 85 THR CB C 51 67.748 67.748 69.493 -1.745 17705 3153 1 8 . 1 1 85 85 THR H H 51 8.790 8.790 7.643 1.147 17705 3154 1 8 . 1 1 86 86 LYS N N 52 115.778 115.778 117.627 -1.849 17705 3155 1 8 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.012 -0.026 17705 3156 1 8 . 1 1 86 86 LYS CA C 52 55.190 55.190 57.504 -2.314 17705 3157 1 8 . 1 1 86 86 LYS H H 52 7.947 7.947 8.484 -0.537 17705 3158 1 8 . 1 1 87 87 GLU N N 53 118.931 118.931 115.616 3.315 17705 3159 1 8 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.717 -0.395 17705 3160 1 8 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.395 -4.035 17705 3161 1 8 . 1 1 87 87 GLU H H 53 7.881 7.881 7.600 0.281 17705 3162 1 8 . 1 1 88 88 SER N N 54 116.268 116.268 113.796 2.472 17705 3163 1 8 . 1 1 88 88 SER HA H 54 4.324 4.324 4.710 -0.386 17705 3164 1 8 . 1 1 88 88 SER CA C 54 55.543 55.543 56.213 -0.670 17705 3165 1 8 . 1 1 88 88 SER CB C 54 61.291 61.291 64.340 -3.049 17705 3166 1 8 . 1 1 88 88 SER H H 54 8.472 8.472 8.416 0.056 17705 3167 1 8 . 1 1 89 89 ARG N N 55 121.084 121.084 121.237 -0.153 17705 3168 1 8 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.423 -0.090 17705 3169 1 8 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.285 -2.046 17705 3170 1 8 . 1 1 89 89 ARG H H 55 8.121 8.121 8.694 -0.573 17705 3171 1 8 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.909 -1.714 17705 3172 1 8 . 1 1 90 90 GLY H H 56 8.334 8.334 7.945 0.389 17705 3173 1 8 . 1 1 91 91 PHE N N 57 113.361 113.361 115.235 -1.874 17705 3174 1 8 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.054 0.609 17705 3175 1 8 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.278 -3.394 17705 3176 1 8 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.497 -1.037 17705 3177 1 8 . 1 1 91 91 PHE H H 57 6.980 6.980 7.237 -0.257 17705 3178 1 8 . 1 1 92 92 ALA N N 58 118.350 118.350 123.262 -4.912 17705 3179 1 8 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.082 0.734 17705 3180 1 8 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.820 -3.651 17705 3181 1 8 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.070 2.211 17705 3182 1 8 . 1 1 92 92 ALA H H 58 8.854 8.854 8.168 0.686 17705 3183 1 8 . 1 1 93 93 PHE N N 59 116.210 116.210 118.841 -2.631 17705 3184 1 8 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.658 1.133 17705 3185 1 8 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.618 -2.879 17705 3186 1 8 . 1 1 93 93 PHE CB C 59 38.926 38.926 40.895 -1.970 17705 3187 1 8 . 1 1 93 93 PHE H H 59 9.011 9.011 7.998 1.013 17705 3188 1 8 . 1 1 94 94 VAL N N 60 123.082 123.082 121.998 1.084 17705 3189 1 8 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.379 -0.032 17705 3190 1 8 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.966 -3.270 17705 3191 1 8 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.536 -0.943 17705 3192 1 8 . 1 1 94 94 VAL H H 60 8.878 8.878 7.599 1.279 17705 3193 1 8 . 1 1 95 95 ARG N N 61 125.689 125.689 127.269 -1.580 17705 3194 1 8 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.143 0.089 17705 3195 1 8 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.481 -2.296 17705 3196 1 8 . 1 1 95 95 ARG H H 61 8.649 8.649 9.029 -0.380 17705 3197 1 8 . 1 1 96 96 PHE N N 62 123.552 123.552 123.538 0.014 17705 3198 1 8 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.670 0.159 17705 3199 1 8 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.619 -0.620 17705 3200 1 8 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.503 -2.020 17705 3201 1 8 . 1 1 96 96 PHE H H 62 9.152 9.152 8.454 0.698 17705 3202 1 8 . 1 1 97 97 HIS N N 63 119.487 119.487 117.448 2.039 17705 3203 1 8 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.753 -0.352 17705 3204 1 8 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.703 -3.286 17705 3205 1 8 . 1 1 97 97 HIS H H 63 7.904 7.904 8.006 -0.102 17705 3206 1 8 . 1 1 98 98 ASP N N 64 119.624 119.624 120.244 -0.620 17705 3207 1 8 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.914 0.118 17705 3208 1 8 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.331 -3.094 17705 3209 1 8 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.734 -1.164 17705 3210 1 8 . 1 1 98 98 ASP H H 64 9.103 9.103 7.965 1.138 17705 3211 1 8 . 1 1 99 99 LYS N N 65 127.479 127.479 125.975 1.504 17705 3212 1 8 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.076 -0.216 17705 3213 1 8 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.710 -1.586 17705 3214 1 8 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.330 -2.045 17705 3215 1 8 . 1 1 99 99 LYS H H 65 8.743 8.743 8.834 -0.091 17705 3216 1 8 . 1 1 100 100 ARG N N 66 118.795 118.795 119.037 -0.242 17705 3217 1 8 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.418 -0.355 17705 3218 1 8 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.515 -2.455 17705 3219 1 8 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.605 -2.832 17705 3220 1 8 . 1 1 100 100 ARG H H 66 8.604 8.604 8.946 -0.342 17705 3221 1 8 . 1 1 101 101 ASP N N 67 119.686 119.686 119.245 0.441 17705 3222 1 8 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.645 -0.443 17705 3223 1 8 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.285 -3.067 17705 3224 1 8 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.563 -2.490 17705 3225 1 8 . 1 1 101 101 ASP H H 67 7.105 7.105 7.911 -0.806 17705 3226 1 8 . 1 1 102 102 ALA N N 68 119.709 119.709 122.969 -3.260 17705 3227 1 8 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.654 -0.828 17705 3228 1 8 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.853 -3.174 17705 3229 1 8 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.520 -2.930 17705 3230 1 8 . 1 1 102 102 ALA H H 68 6.848 6.848 7.945 -1.097 17705 3231 1 8 . 1 1 103 103 GLU N N 69 117.431 117.431 119.853 -2.422 17705 3232 1 8 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.886 -0.231 17705 3233 1 8 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.928 -2.759 17705 3234 1 8 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.547 -3.046 17705 3235 1 8 . 1 1 103 103 GLU H H 69 8.008 8.008 8.214 -0.206 17705 3236 1 8 . 1 1 104 104 ASP N N 70 120.512 120.512 119.190 1.322 17705 3237 1 8 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.401 -0.135 17705 3238 1 8 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.419 -2.902 17705 3239 1 8 . 1 1 104 104 ASP H H 70 8.022 8.022 7.731 0.291 17705 3240 1 8 . 1 1 105 105 ALA N N 71 122.325 122.325 121.878 0.447 17705 3241 1 8 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.579 0.206 17705 3242 1 8 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.406 -2.672 17705 3243 1 8 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.360 -1.212 17705 3244 1 8 . 1 1 105 105 ALA H H 71 8.109 8.109 7.381 0.728 17705 3245 1 8 . 1 1 106 106 MET N N 72 118.595 118.595 118.603 -0.008 17705 3246 1 8 . 1 1 106 106 MET HA H 72 3.657 3.657 4.092 -0.435 17705 3247 1 8 . 1 1 106 106 MET CA C 72 57.163 57.163 58.713 -1.550 17705 3248 1 8 . 1 1 106 106 MET CB C 72 30.248 30.248 32.784 -2.536 17705 3249 1 8 . 1 1 106 106 MET H H 72 8.293 8.293 8.126 0.167 17705 3250 1 8 . 1 1 107 107 ASP N N 73 117.126 117.126 119.056 -1.930 17705 3251 1 8 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.469 -0.145 17705 3252 1 8 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.242 -2.194 17705 3253 1 8 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.986 -2.639 17705 3254 1 8 . 1 1 107 107 ASP H H 73 7.784 7.784 8.297 -0.513 17705 3255 1 8 . 1 1 108 108 ALA N N 74 117.971 117.971 117.308 0.663 17705 3256 1 8 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.571 -0.460 17705 3257 1 8 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.333 -0.959 17705 3258 1 8 . 1 1 108 108 ALA CB C 74 17.653 17.653 19.915 -2.262 17705 3259 1 8 . 1 1 108 108 ALA H H 74 7.366 7.366 7.319 0.047 17705 3260 1 8 . 1 1 109 109 MET N N 75 112.248 112.248 114.868 -2.620 17705 3261 1 8 . 1 1 109 109 MET HA H 75 4.756 4.756 4.540 0.216 17705 3262 1 8 . 1 1 109 109 MET CA C 75 50.696 50.696 54.518 -3.822 17705 3263 1 8 . 1 1 109 109 MET H H 75 8.077 8.077 7.420 0.657 17705 3264 1 8 . 1 1 110 110 ASP N N 76 120.144 120.144 121.571 -1.427 17705 3265 1 8 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.446 -0.033 17705 3266 1 8 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.625 -0.695 17705 3267 1 8 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.902 -2.322 17705 3268 1 8 . 1 1 110 110 ASP H H 76 7.915 7.915 8.080 -0.165 17705 3269 1 8 . 1 1 111 111 GLY N N 77 117.810 117.810 114.516 3.294 17705 3270 1 8 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.769 -2.921 17705 3271 1 8 . 1 1 111 111 GLY H H 77 8.680 8.680 8.722 -0.042 17705 3272 1 8 . 1 1 112 112 ALA N N 78 123.748 123.748 121.558 2.190 17705 3273 1 8 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.279 0.048 17705 3274 1 8 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.489 -2.521 17705 3275 1 8 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.525 -2.046 17705 3276 1 8 . 1 1 112 112 ALA H H 78 7.918 7.918 7.550 0.368 17705 3277 1 8 . 1 1 113 113 VAL N N 79 118.622 118.622 118.371 0.251 17705 3278 1 8 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.739 0.901 17705 3279 1 8 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.254 -1.632 17705 3280 1 8 . 1 1 113 113 VAL H H 79 8.091 8.091 7.861 0.230 17705 3281 1 8 . 1 1 114 114 LEU N N 80 129.451 129.451 119.274 10.177 17705 3282 1 8 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.322 0.223 17705 3283 1 8 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.152 -4.204 17705 3284 1 8 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.372 1.308 17705 3285 1 8 . 1 1 114 114 LEU H H 80 8.875 8.875 8.465 0.410 17705 3286 1 8 . 1 1 115 115 ASP N N 81 129.610 129.610 116.410 13.200 17705 3287 1 8 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.695 -0.462 17705 3288 1 8 . 1 1 115 115 ASP CA C 81 52.275 52.275 53.936 -1.661 17705 3289 1 8 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.958 -4.700 17705 3290 1 8 . 1 1 115 115 ASP H H 81 9.445 9.445 8.066 1.379 17705 3291 1 8 . 1 1 116 116 GLY N N 82 100.657 100.657 108.926 -8.269 17705 3292 1 8 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.015 -2.130 17705 3293 1 8 . 1 1 116 116 GLY H H 82 8.008 8.008 8.253 -0.245 17705 3294 1 8 . 1 1 117 117 ARG N N 83 120.179 120.179 118.982 1.197 17705 3295 1 8 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.462 0.084 17705 3296 1 8 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.528 -4.580 17705 3297 1 8 . 1 1 117 117 ARG CB C 83 30.568 30.568 32.835 -2.267 17705 3298 1 8 . 1 1 117 117 ARG H H 83 7.499 7.499 8.044 -0.545 17705 3299 1 8 . 1 1 118 118 GLU N N 84 121.274 121.274 118.709 2.565 17705 3300 1 8 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.144 0.175 17705 3301 1 8 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.879 -3.862 17705 3302 1 8 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.241 -2.052 17705 3303 1 8 . 1 1 118 118 GLU H H 84 8.369 8.369 7.924 0.445 17705 3304 1 8 . 1 1 119 119 LEU N N 85 128.104 128.104 122.622 5.482 17705 3305 1 8 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.122 0.428 17705 3306 1 8 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.856 -5.071 17705 3307 1 8 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.901 -2.013 17705 3308 1 8 . 1 1 119 119 LEU H H 85 9.356 9.356 8.651 0.705 17705 3309 1 8 . 1 1 120 120 ARG N N 86 121.349 121.349 120.654 0.695 17705 3310 1 8 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.098 0.056 17705 3311 1 8 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.753 -2.104 17705 3312 1 8 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.420 -3.845 17705 3313 1 8 . 1 1 120 120 ARG H H 86 7.677 7.677 8.103 -0.426 17705 3314 1 8 . 1 1 121 121 VAL N N 87 126.888 126.888 123.180 3.708 17705 3315 1 8 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.711 0.430 17705 3316 1 8 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.834 -2.309 17705 3317 1 8 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.383 -3.450 17705 3318 1 8 . 1 1 121 121 VAL H H 87 9.435 9.435 9.099 0.336 17705 3319 1 8 . 1 1 122 122 GLN N N 88 122.184 122.184 120.229 1.955 17705 3320 1 8 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.684 0.251 17705 3321 1 8 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.444 -2.454 17705 3322 1 8 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.543 -0.183 17705 3323 1 8 . 1 1 122 122 GLN H H 88 8.520 8.520 8.817 -0.297 17705 3324 1 8 . 1 1 123 123 MET N N 89 122.187 122.187 120.358 1.829 17705 3325 1 8 . 1 1 123 123 MET HA H 89 4.660 4.660 4.311 0.349 17705 3326 1 8 . 1 1 123 123 MET CB C 89 29.398 29.398 31.925 -2.527 17705 3327 1 8 . 1 1 123 123 MET H H 89 8.699 8.699 8.963 -0.264 17705 3328 1 8 . 1 1 124 124 ALA N N 90 127.406 127.406 126.747 0.659 17705 3329 1 8 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.096 0.353 17705 3330 1 8 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.326 -2.744 17705 3331 1 8 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.095 -2.297 17705 3332 1 8 . 1 1 124 124 ALA H H 90 8.592 8.592 8.726 -0.134 17705 3333 1 8 . 1 1 125 125 ARG N N 91 119.981 119.981 115.574 4.407 17705 3334 1 8 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.848 0.471 17705 3335 1 8 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.157 -3.939 17705 3336 1 8 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.804 0.830 17705 3337 1 8 . 1 1 125 125 ARG H H 91 8.299 8.299 7.976 0.323 17705 3338 1 8 . 1 1 126 126 TYR N N 92 121.757 121.757 115.735 6.022 17705 3339 1 8 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.710 -0.244 17705 3340 1 8 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.446 -1.356 17705 3341 1 8 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.626 -2.155 17705 3342 1 8 . 1 1 126 126 TYR H H 92 8.182 8.182 8.002 0.180 17705 3343 1 8 . 1 1 127 127 GLY N N 93 110.707 110.707 106.779 3.928 17705 3344 1 8 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.319 -1.976 17705 3345 1 8 . 1 1 127 127 GLY H H 93 7.969 7.969 7.828 0.141 17705 3346 1 8 . 1 1 128 128 ARG N N 94 121.504 121.504 120.187 1.317 17705 3347 1 8 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.759 -0.294 17705 3348 1 8 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.257 -2.208 17705 3349 1 8 . 1 1 128 128 ARG H H 94 7.930 7.930 8.428 -0.498 17705 3350 1 8 . 1 1 131 131 ASP N N 97 120.004 120.004 118.678 1.326 17705 3351 1 8 . 1 1 131 131 ASP H H 97 8.289 8.289 8.578 -0.289 17705 3352 1 8 . 1 1 132 132 SER N N 98 115.594 115.594 114.840 0.754 17705 3353 1 8 . 1 1 132 132 SER HA H 98 4.348 4.348 4.676 -0.328 17705 3354 1 8 . 1 1 132 132 SER CB C 98 61.181 61.181 64.972 -3.791 17705 3355 1 8 . 1 1 132 132 SER H H 98 8.128 8.128 8.277 -0.149 17705 3356 1 8 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.418 -3.349 17705 3357 1 8 . 1 1 133 133 HIS H H 99 8.290 8.290 8.470 -0.180 17705 3358 1 8 . 1 1 134 134 HIS N N 100 120.371 120.371 117.159 3.212 17705 3359 1 8 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.117 -4.067 17705 3360 1 8 . 1 1 134 134 HIS H H 100 7.251 7.251 8.388 -1.137 17705 3361 1 9 . 1 1 36 36 SER N N 2 116.240 116.240 114.845 1.395 17705 3362 1 9 . 1 1 36 36 SER HA H 2 4.389 4.389 4.849 -0.460 17705 3363 1 9 . 1 1 36 36 SER CB C 2 61.141 61.141 65.330 -4.189 17705 3364 1 9 . 1 1 36 36 SER H H 2 8.111 8.111 7.989 0.122 17705 3365 1 9 . 1 1 37 37 TYR N N 3 121.776 121.776 118.900 2.876 17705 3366 1 9 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.647 -0.102 17705 3367 1 9 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.150 -2.855 17705 3368 1 9 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.104 -2.991 17705 3369 1 9 . 1 1 37 37 TYR H H 3 8.062 8.062 8.416 -0.354 17705 3370 1 9 . 1 1 38 38 GLY N N 4 110.102 110.102 105.862 4.240 17705 3371 1 9 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.629 -2.051 17705 3372 1 9 . 1 1 38 38 GLY H H 4 8.221 8.221 8.072 0.149 17705 3373 1 9 . 1 1 39 39 ARG N N 5 121.307 121.307 120.850 0.457 17705 3374 1 9 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.492 0.090 17705 3375 1 9 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.389 -4.369 17705 3376 1 9 . 1 1 39 39 ARG CB C 5 27.731 27.731 29.700 -1.968 17705 3377 1 9 . 1 1 39 39 ARG H H 5 7.967 7.967 8.183 -0.216 17705 3378 1 9 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.510 -0.179 17705 3379 1 9 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.701 -2.182 17705 3380 1 9 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.343 -3.053 17705 3381 1 9 . 1 1 43 43 ASP N N 9 119.234 119.234 117.747 1.487 17705 3382 1 9 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.502 0.040 17705 3383 1 9 . 1 1 43 43 ASP CB C 9 38.419 38.419 41.122 -2.703 17705 3384 1 9 . 1 1 43 43 ASP H H 9 8.260 8.260 8.271 -0.011 17705 3385 1 9 . 1 1 44 44 VAL N N 10 119.005 119.005 112.407 6.598 17705 3386 1 9 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.698 0.333 17705 3387 1 9 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.408 -3.341 17705 3388 1 9 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.630 -0.782 17705 3389 1 9 . 1 1 44 44 VAL H H 10 7.903 7.903 7.791 0.112 17705 3390 1 9 . 1 1 45 45 GLU N N 11 122.556 122.556 119.849 2.707 17705 3391 1 9 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.159 -0.027 17705 3392 1 9 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.709 -2.951 17705 3393 1 9 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.986 -1.776 17705 3394 1 9 . 1 1 45 45 GLU H H 11 8.304 8.304 8.720 -0.416 17705 3395 1 9 . 1 1 46 46 GLY N N 12 108.250 108.250 105.078 3.172 17705 3396 1 9 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.089 -2.317 17705 3397 1 9 . 1 1 46 46 GLY H H 12 8.187 8.187 8.061 0.126 17705 3398 1 9 . 1 1 47 47 MET N N 13 118.678 118.678 118.687 -0.009 17705 3399 1 9 . 1 1 47 47 MET HA H 13 4.606 4.606 4.840 -0.234 17705 3400 1 9 . 1 1 47 47 MET CB C 13 30.713 30.713 35.887 -5.174 17705 3401 1 9 . 1 1 47 47 MET H H 13 7.798 7.798 7.459 0.339 17705 3402 1 9 . 1 1 48 48 THR N N 14 116.971 116.971 115.004 1.967 17705 3403 1 9 . 1 1 48 48 THR HA H 14 4.469 4.469 4.598 -0.129 17705 3404 1 9 . 1 1 48 48 THR CA C 14 60.072 60.072 62.501 -2.429 17705 3405 1 9 . 1 1 48 48 THR CB C 14 67.533 67.533 71.305 -3.772 17705 3406 1 9 . 1 1 48 48 THR H H 14 8.693 8.693 9.090 -0.397 17705 3407 1 9 . 1 1 49 49 SER N N 15 121.549 121.549 119.807 1.742 17705 3408 1 9 . 1 1 49 49 SER HA H 15 5.369 5.369 5.064 0.305 17705 3409 1 9 . 1 1 49 49 SER CA C 15 55.530 55.530 59.589 -4.059 17705 3410 1 9 . 1 1 49 49 SER CB C 15 62.465 62.465 64.363 -1.898 17705 3411 1 9 . 1 1 49 49 SER H H 15 8.813 8.813 8.062 0.751 17705 3412 1 9 . 1 1 50 50 LEU N N 16 122.760 122.760 124.917 -2.157 17705 3413 1 9 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.462 0.653 17705 3414 1 9 . 1 1 50 50 LEU CA C 16 50.197 50.197 54.074 -3.877 17705 3415 1 9 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.601 -2.980 17705 3416 1 9 . 1 1 50 50 LEU H H 16 9.287 9.287 8.324 0.963 17705 3417 1 9 . 1 1 51 51 LYS N N 17 123.384 123.384 123.355 0.029 17705 3418 1 9 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.209 -0.415 17705 3419 1 9 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.534 -1.953 17705 3420 1 9 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.764 -3.511 17705 3421 1 9 . 1 1 51 51 LYS H H 17 9.240 9.240 8.731 0.509 17705 3422 1 9 . 1 1 52 52 VAL N N 18 129.496 129.496 125.237 4.259 17705 3423 1 9 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.766 -0.001 17705 3424 1 9 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.594 -2.364 17705 3425 1 9 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.758 -5.005 17705 3426 1 9 . 1 1 52 52 VAL H H 18 9.194 9.194 7.937 1.257 17705 3427 1 9 . 1 1 53 53 ASP N N 19 126.148 126.148 124.487 1.661 17705 3428 1 9 . 1 1 53 53 ASP HA H 19 5.298 5.298 4.999 0.299 17705 3429 1 9 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.717 -2.654 17705 3430 1 9 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.796 -2.063 17705 3431 1 9 . 1 1 53 53 ASP H H 19 9.382 9.382 8.927 0.455 17705 3432 1 9 . 1 1 54 54 ASN N N 20 113.840 113.840 117.957 -4.117 17705 3433 1 9 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.686 -0.228 17705 3434 1 9 . 1 1 54 54 ASN CA C 20 51.127 51.127 53.983 -2.856 17705 3435 1 9 . 1 1 54 54 ASN CB C 20 35.050 35.050 37.945 -2.895 17705 3436 1 9 . 1 1 54 54 ASN H H 20 8.736 8.736 8.559 0.177 17705 3437 1 9 . 1 1 55 55 LEU N N 21 115.267 115.267 122.154 -6.887 17705 3438 1 9 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.773 -0.384 17705 3439 1 9 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.586 -2.417 17705 3440 1 9 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.335 -4.160 17705 3441 1 9 . 1 1 55 55 LEU H H 21 7.661 7.661 8.623 -0.962 17705 3442 1 9 . 1 1 56 56 THR N N 22 111.721 111.721 114.416 -2.695 17705 3443 1 9 . 1 1 56 56 THR CB C 22 68.066 68.066 69.296 -1.230 17705 3444 1 9 . 1 1 56 56 THR H H 22 8.377 8.377 8.470 -0.093 17705 3445 1 9 . 1 1 57 57 TYR N N 23 122.454 122.454 116.843 5.611 17705 3446 1 9 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.238 0.070 17705 3447 1 9 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.048 -2.471 17705 3448 1 9 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.506 -2.113 17705 3449 1 9 . 1 1 57 57 TYR H H 23 8.601 8.601 7.951 0.650 17705 3450 1 9 . 1 1 58 58 ARG N N 24 114.958 114.958 118.283 -3.325 17705 3451 1 9 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.340 -0.126 17705 3452 1 9 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.600 -2.329 17705 3453 1 9 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.460 -3.072 17705 3454 1 9 . 1 1 58 58 ARG H H 24 7.366 7.366 7.981 -0.615 17705 3455 1 9 . 1 1 59 59 THR N N 25 119.016 119.016 115.074 3.942 17705 3456 1 9 . 1 1 59 59 THR HA H 25 4.037 4.037 4.096 -0.059 17705 3457 1 9 . 1 1 59 59 THR CA C 25 62.031 62.031 64.767 -2.736 17705 3458 1 9 . 1 1 59 59 THR CB C 25 65.705 65.705 68.870 -3.165 17705 3459 1 9 . 1 1 59 59 THR H H 25 7.356 7.356 7.994 -0.638 17705 3460 1 9 . 1 1 60 60 SER N N 26 124.554 124.554 113.983 10.571 17705 3461 1 9 . 1 1 60 60 SER HA H 26 4.834 4.834 4.221 0.613 17705 3462 1 9 . 1 1 60 60 SER CA C 26 52.978 52.978 58.232 -5.254 17705 3463 1 9 . 1 1 60 60 SER CB C 26 61.637 61.637 63.023 -1.386 17705 3464 1 9 . 1 1 60 60 SER H H 26 8.404 8.404 7.828 0.576 17705 3465 1 9 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.297 -0.256 17705 3466 1 9 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.470 -2.393 17705 3467 1 9 . 1 1 62 62 ASP N N 28 115.821 115.821 117.540 -1.719 17705 3468 1 9 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.477 -0.104 17705 3469 1 9 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.683 -3.102 17705 3470 1 9 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.727 -2.511 17705 3471 1 9 . 1 1 62 62 ASP H H 28 8.022 8.022 8.609 -0.587 17705 3472 1 9 . 1 1 63 63 THR N N 29 118.403 118.403 116.256 2.147 17705 3473 1 9 . 1 1 63 63 THR HA H 29 3.898 3.898 4.043 -0.145 17705 3474 1 9 . 1 1 63 63 THR CA C 29 63.704 63.704 66.101 -2.397 17705 3475 1 9 . 1 1 63 63 THR CB C 29 65.555 65.555 68.810 -3.255 17705 3476 1 9 . 1 1 63 63 THR H H 29 7.791 7.791 7.610 0.181 17705 3477 1 9 . 1 1 64 64 LEU N N 30 119.247 119.247 121.335 -2.088 17705 3478 1 9 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.171 -0.133 17705 3479 1 9 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.835 -2.735 17705 3480 1 9 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.678 -1.876 17705 3481 1 9 . 1 1 64 64 LEU H H 30 7.607 7.607 7.632 -0.025 17705 3482 1 9 . 1 1 65 65 ARG N N 31 118.798 118.798 119.324 -0.526 17705 3483 1 9 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.103 -0.463 17705 3484 1 9 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.016 -0.701 17705 3485 1 9 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.876 -2.322 17705 3486 1 9 . 1 1 65 65 ARG H H 31 8.547 8.547 8.135 0.412 17705 3487 1 9 . 1 1 66 66 ARG N N 32 116.038 116.038 117.522 -1.484 17705 3488 1 9 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.339 -0.277 17705 3489 1 9 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.455 -1.769 17705 3490 1 9 . 1 1 66 66 ARG H H 32 7.732 7.732 7.739 -0.007 17705 3491 1 9 . 1 1 67 67 VAL N N 33 115.825 115.825 118.168 -2.343 17705 3492 1 9 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.938 -0.094 17705 3493 1 9 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.341 -1.611 17705 3494 1 9 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.477 -2.987 17705 3495 1 9 . 1 1 67 67 VAL H H 33 7.837 7.837 7.510 0.328 17705 3496 1 9 . 1 1 68 68 PHE N N 34 116.175 116.175 116.625 -0.450 17705 3497 1 9 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.911 -0.414 17705 3498 1 9 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.495 0.759 17705 3499 1 9 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.303 -5.043 17705 3500 1 9 . 1 1 68 68 PHE H H 34 8.194 8.194 7.693 0.501 17705 3501 1 9 . 1 1 69 69 GLU N N 35 119.377 119.377 121.295 -1.918 17705 3502 1 9 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.240 0.809 17705 3503 1 9 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.899 -3.988 17705 3504 1 9 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.914 -2.692 17705 3505 1 9 . 1 1 69 69 GLU H H 35 8.669 8.669 8.865 -0.196 17705 3506 1 9 . 1 1 70 70 LYS N N 36 118.371 118.371 119.435 -1.064 17705 3507 1 9 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.005 -0.133 17705 3508 1 9 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.425 -2.946 17705 3509 1 9 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.415 -2.195 17705 3510 1 9 . 1 1 70 70 LYS H H 36 6.866 6.866 8.273 -1.407 17705 3511 1 9 . 1 1 71 71 TYR N N 37 115.053 115.053 118.120 -3.067 17705 3512 1 9 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.355 -0.042 17705 3513 1 9 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.805 -3.674 17705 3514 1 9 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.102 -2.340 17705 3515 1 9 . 1 1 71 71 TYR H H 37 7.637 7.637 7.823 -0.186 17705 3516 1 9 . 1 1 72 72 GLY N N 38 104.732 104.732 105.735 -1.003 17705 3517 1 9 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.360 -3.667 17705 3518 1 9 . 1 1 72 72 GLY H H 38 7.353 7.353 7.979 -0.626 17705 3519 1 9 . 1 1 73 73 ARG N N 39 115.823 115.823 118.891 -3.068 17705 3520 1 9 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.451 -0.125 17705 3521 1 9 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.598 -1.034 17705 3522 1 9 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.255 -5.404 17705 3523 1 9 . 1 1 73 73 ARG H H 39 7.975 7.975 8.135 -0.160 17705 3524 1 9 . 1 1 74 74 VAL N N 40 129.287 129.287 120.237 9.050 17705 3525 1 9 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.480 0.211 17705 3526 1 9 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.032 -1.755 17705 3527 1 9 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.749 -3.031 17705 3528 1 9 . 1 1 74 74 VAL H H 40 8.826 8.826 8.413 0.413 17705 3529 1 9 . 1 1 75 75 GLY N N 41 115.247 115.247 115.451 -0.204 17705 3530 1 9 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.102 -2.892 17705 3531 1 9 . 1 1 75 75 GLY H H 41 9.023 9.023 8.163 0.860 17705 3532 1 9 . 1 1 76 76 ASP N N 42 117.313 117.313 118.573 -1.260 17705 3533 1 9 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.874 -0.227 17705 3534 1 9 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.853 -3.272 17705 3535 1 9 . 1 1 76 76 ASP H H 42 7.375 7.375 8.092 -0.717 17705 3536 1 9 . 1 1 77 77 VAL N N 43 121.209 121.209 122.960 -1.751 17705 3537 1 9 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.331 0.312 17705 3538 1 9 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.856 -1.814 17705 3539 1 9 . 1 1 77 77 VAL H H 43 7.799 7.799 8.487 -0.688 17705 3540 1 9 . 1 1 78 78 TYR N N 44 127.478 127.478 126.447 1.031 17705 3541 1 9 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.821 0.233 17705 3542 1 9 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.411 -3.518 17705 3543 1 9 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.123 -2.349 17705 3544 1 9 . 1 1 78 78 TYR H H 44 9.056 9.056 8.086 0.970 17705 3545 1 9 . 1 1 79 79 ILE N N 45 128.848 128.848 120.037 8.811 17705 3546 1 9 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.284 0.113 17705 3547 1 9 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.108 -1.452 17705 3548 1 9 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.966 -3.596 17705 3549 1 9 . 1 1 79 79 ILE H H 45 8.484 8.484 8.497 -0.013 17705 3550 1 9 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.649 -0.590 17705 3551 1 9 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.505 -2.744 17705 3552 1 9 . 1 1 81 81 ARG N N 47 119.796 119.796 120.625 -0.829 17705 3553 1 9 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.119 0.317 17705 3554 1 9 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.946 -0.972 17705 3555 1 9 . 1 1 81 81 ARG H H 47 8.131 8.131 8.054 0.077 17705 3556 1 9 . 1 1 82 82 ASP N N 48 122.427 122.427 119.147 3.280 17705 3557 1 9 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.334 0.103 17705 3558 1 9 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.169 -3.521 17705 3559 1 9 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.355 -1.001 17705 3560 1 9 . 1 1 82 82 ASP H H 48 8.511 8.511 8.245 0.266 17705 3561 1 9 . 1 1 83 83 ARG N N 49 124.150 124.150 118.215 5.935 17705 3562 1 9 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.386 -0.387 17705 3563 1 9 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.612 -3.954 17705 3564 1 9 . 1 1 83 83 ARG H H 49 8.546 8.546 8.293 0.253 17705 3565 1 9 . 1 1 84 84 TYR N N 50 118.236 118.236 114.385 3.851 17705 3566 1 9 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.073 -0.420 17705 3567 1 9 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.670 -2.738 17705 3568 1 9 . 1 1 84 84 TYR H H 50 8.376 8.376 7.376 1.000 17705 3569 1 9 . 1 1 85 85 THR N N 51 111.445 111.445 114.702 -3.257 17705 3570 1 9 . 1 1 85 85 THR HA H 51 4.306 4.306 4.702 -0.396 17705 3571 1 9 . 1 1 85 85 THR CA C 51 59.280 59.280 60.483 -1.203 17705 3572 1 9 . 1 1 85 85 THR CB C 51 67.748 67.748 70.831 -3.083 17705 3573 1 9 . 1 1 85 85 THR H H 51 8.790 8.790 8.491 0.299 17705 3574 1 9 . 1 1 86 86 LYS N N 52 115.778 115.778 118.552 -2.774 17705 3575 1 9 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.655 -0.669 17705 3576 1 9 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.690 -0.500 17705 3577 1 9 . 1 1 86 86 LYS H H 52 7.947 7.947 8.505 -0.558 17705 3578 1 9 . 1 1 87 87 GLU N N 53 118.931 118.931 117.908 1.023 17705 3579 1 9 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.779 -0.457 17705 3580 1 9 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.613 -3.252 17705 3581 1 9 . 1 1 87 87 GLU H H 53 7.881 7.881 7.675 0.206 17705 3582 1 9 . 1 1 88 88 SER N N 54 116.268 116.268 113.584 2.684 17705 3583 1 9 . 1 1 88 88 SER HA H 54 4.324 4.324 4.706 -0.382 17705 3584 1 9 . 1 1 88 88 SER CA C 54 55.543 55.543 56.362 -0.819 17705 3585 1 9 . 1 1 88 88 SER CB C 54 61.291 61.291 65.653 -4.362 17705 3586 1 9 . 1 1 88 88 SER H H 54 8.472 8.472 8.371 0.101 17705 3587 1 9 . 1 1 89 89 ARG N N 55 121.084 121.084 120.757 0.327 17705 3588 1 9 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.384 -0.051 17705 3589 1 9 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.279 -2.040 17705 3590 1 9 . 1 1 89 89 ARG H H 55 8.121 8.121 8.623 -0.502 17705 3591 1 9 . 1 1 90 90 GLY CA C 56 43.195 43.195 45.147 -1.952 17705 3592 1 9 . 1 1 90 90 GLY H H 56 8.334 8.334 8.474 -0.140 17705 3593 1 9 . 1 1 91 91 PHE N N 57 113.361 113.361 114.042 -0.681 17705 3594 1 9 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.037 0.626 17705 3595 1 9 . 1 1 91 91 PHE CA C 57 51.884 51.884 54.585 -2.701 17705 3596 1 9 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.772 -1.312 17705 3597 1 9 . 1 1 91 91 PHE H H 57 6.980 6.980 7.418 -0.438 17705 3598 1 9 . 1 1 92 92 ALA N N 58 118.350 118.350 123.282 -4.932 17705 3599 1 9 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.513 0.303 17705 3600 1 9 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.630 -3.461 17705 3601 1 9 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.367 1.914 17705 3602 1 9 . 1 1 92 92 ALA H H 58 8.854 8.854 8.095 0.759 17705 3603 1 9 . 1 1 93 93 PHE N N 59 116.210 116.210 118.934 -2.724 17705 3604 1 9 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.653 1.138 17705 3605 1 9 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.703 -2.964 17705 3606 1 9 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.111 -2.185 17705 3607 1 9 . 1 1 93 93 PHE H H 59 9.011 9.011 7.998 1.013 17705 3608 1 9 . 1 1 94 94 VAL N N 60 123.082 123.082 121.985 1.097 17705 3609 1 9 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.383 -0.036 17705 3610 1 9 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.935 -3.239 17705 3611 1 9 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.534 -0.941 17705 3612 1 9 . 1 1 94 94 VAL H H 60 8.878 8.878 7.600 1.278 17705 3613 1 9 . 1 1 95 95 ARG N N 61 125.689 125.689 127.383 -1.694 17705 3614 1 9 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.217 0.015 17705 3615 1 9 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.264 -2.079 17705 3616 1 9 . 1 1 95 95 ARG H H 61 8.649 8.649 8.956 -0.307 17705 3617 1 9 . 1 1 96 96 PHE N N 62 123.552 123.552 124.030 -0.478 17705 3618 1 9 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.713 0.116 17705 3619 1 9 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.367 -0.368 17705 3620 1 9 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.296 -1.813 17705 3621 1 9 . 1 1 96 96 PHE H H 62 9.152 9.152 8.532 0.620 17705 3622 1 9 . 1 1 97 97 HIS N N 63 119.487 119.487 119.202 0.285 17705 3623 1 9 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.639 -0.238 17705 3624 1 9 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.287 -2.870 17705 3625 1 9 . 1 1 97 97 HIS H H 63 7.904 7.904 8.109 -0.205 17705 3626 1 9 . 1 1 98 98 ASP N N 64 119.624 119.624 119.782 -0.158 17705 3627 1 9 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.915 0.117 17705 3628 1 9 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.227 -2.989 17705 3629 1 9 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.677 -1.107 17705 3630 1 9 . 1 1 98 98 ASP H H 64 9.103 9.103 7.911 1.192 17705 3631 1 9 . 1 1 99 99 LYS N N 65 127.479 127.479 125.813 1.666 17705 3632 1 9 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.151 -0.291 17705 3633 1 9 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.815 -1.691 17705 3634 1 9 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.261 -1.976 17705 3635 1 9 . 1 1 99 99 LYS H H 65 8.743 8.743 8.836 -0.093 17705 3636 1 9 . 1 1 100 100 ARG N N 66 118.795 118.795 118.967 -0.172 17705 3637 1 9 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.404 -0.341 17705 3638 1 9 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.672 -2.612 17705 3639 1 9 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.579 -2.806 17705 3640 1 9 . 1 1 100 100 ARG H H 66 8.604 8.604 8.893 -0.289 17705 3641 1 9 . 1 1 101 101 ASP N N 67 119.686 119.686 119.298 0.388 17705 3642 1 9 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.663 -0.461 17705 3643 1 9 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.154 -2.936 17705 3644 1 9 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.574 -2.499 17705 3645 1 9 . 1 1 101 101 ASP H H 67 7.105 7.105 7.925 -0.820 17705 3646 1 9 . 1 1 102 102 ALA N N 68 119.709 119.709 123.020 -3.311 17705 3647 1 9 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.710 -0.884 17705 3648 1 9 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.807 -3.128 17705 3649 1 9 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.545 -2.955 17705 3650 1 9 . 1 1 102 102 ALA H H 68 6.848 6.848 7.909 -1.061 17705 3651 1 9 . 1 1 103 103 GLU N N 69 117.431 117.431 119.969 -2.538 17705 3652 1 9 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.892 -0.237 17705 3653 1 9 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.996 -2.827 17705 3654 1 9 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.543 -3.043 17705 3655 1 9 . 1 1 103 103 GLU H H 69 8.008 8.008 8.381 -0.373 17705 3656 1 9 . 1 1 104 104 ASP N N 70 120.512 120.512 119.131 1.381 17705 3657 1 9 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.418 -0.152 17705 3658 1 9 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.529 -3.012 17705 3659 1 9 . 1 1 104 104 ASP H H 70 8.022 8.022 7.711 0.311 17705 3660 1 9 . 1 1 105 105 ALA N N 71 122.325 122.325 121.971 0.354 17705 3661 1 9 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.601 0.184 17705 3662 1 9 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.441 -2.707 17705 3663 1 9 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.343 -1.195 17705 3664 1 9 . 1 1 105 105 ALA H H 71 8.109 8.109 7.400 0.709 17705 3665 1 9 . 1 1 106 106 MET N N 72 118.595 118.595 118.504 0.091 17705 3666 1 9 . 1 1 106 106 MET HA H 72 3.657 3.657 4.080 -0.423 17705 3667 1 9 . 1 1 106 106 MET CA C 72 57.163 57.163 58.724 -1.561 17705 3668 1 9 . 1 1 106 106 MET CB C 72 30.248 30.248 32.752 -2.505 17705 3669 1 9 . 1 1 106 106 MET H H 72 8.293 8.293 8.122 0.171 17705 3670 1 9 . 1 1 107 107 ASP N N 73 117.126 117.126 118.961 -1.835 17705 3671 1 9 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.649 -0.325 17705 3672 1 9 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.360 -2.312 17705 3673 1 9 . 1 1 107 107 ASP CB C 73 38.348 38.348 41.082 -2.734 17705 3674 1 9 . 1 1 107 107 ASP H H 73 7.784 7.784 8.164 -0.380 17705 3675 1 9 . 1 1 108 108 ALA N N 74 117.971 117.971 117.540 0.431 17705 3676 1 9 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.673 -0.562 17705 3677 1 9 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.085 -0.711 17705 3678 1 9 . 1 1 108 108 ALA CB C 74 17.653 17.653 19.957 -2.304 17705 3679 1 9 . 1 1 108 108 ALA H H 74 7.366 7.366 7.353 0.013 17705 3680 1 9 . 1 1 109 109 MET N N 75 112.248 112.248 114.758 -2.510 17705 3681 1 9 . 1 1 109 109 MET HA H 75 4.756 4.756 4.546 0.210 17705 3682 1 9 . 1 1 109 109 MET CA C 75 50.696 50.696 54.379 -3.683 17705 3683 1 9 . 1 1 109 109 MET H H 75 8.077 8.077 7.426 0.651 17705 3684 1 9 . 1 1 110 110 ASP N N 76 120.144 120.144 121.542 -1.398 17705 3685 1 9 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.415 -0.002 17705 3686 1 9 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.950 -1.020 17705 3687 1 9 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.067 -2.487 17705 3688 1 9 . 1 1 110 110 ASP H H 76 7.915 7.915 7.942 -0.027 17705 3689 1 9 . 1 1 111 111 GLY N N 77 117.810 117.810 114.401 3.409 17705 3690 1 9 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.853 -3.005 17705 3691 1 9 . 1 1 111 111 GLY H H 77 8.680 8.680 8.656 0.024 17705 3692 1 9 . 1 1 112 112 ALA N N 78 123.748 123.748 121.473 2.275 17705 3693 1 9 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.275 0.052 17705 3694 1 9 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.227 -2.259 17705 3695 1 9 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.382 -1.903 17705 3696 1 9 . 1 1 112 112 ALA H H 78 7.918 7.918 7.584 0.334 17705 3697 1 9 . 1 1 113 113 VAL N N 79 118.622 118.622 117.347 1.275 17705 3698 1 9 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.835 0.805 17705 3699 1 9 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.475 -1.853 17705 3700 1 9 . 1 1 113 113 VAL H H 79 8.091 8.091 7.840 0.251 17705 3701 1 9 . 1 1 114 114 LEU N N 80 129.451 129.451 120.778 8.673 17705 3702 1 9 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.231 0.314 17705 3703 1 9 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.799 -4.851 17705 3704 1 9 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.483 1.197 17705 3705 1 9 . 1 1 114 114 LEU H H 80 8.875 8.875 8.394 0.481 17705 3706 1 9 . 1 1 115 115 ASP N N 81 129.610 129.610 118.041 11.569 17705 3707 1 9 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.775 -0.542 17705 3708 1 9 . 1 1 115 115 ASP CA C 81 52.275 52.275 55.652 -3.377 17705 3709 1 9 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.689 -5.431 17705 3710 1 9 . 1 1 115 115 ASP H H 81 9.445 9.445 8.233 1.212 17705 3711 1 9 . 1 1 116 116 GLY N N 82 100.657 100.657 107.310 -6.653 17705 3712 1 9 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.072 -2.187 17705 3713 1 9 . 1 1 116 116 GLY H H 82 8.008 8.008 8.239 -0.231 17705 3714 1 9 . 1 1 117 117 ARG N N 83 120.179 120.179 118.487 1.692 17705 3715 1 9 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.646 -0.100 17705 3716 1 9 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.973 -5.025 17705 3717 1 9 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.720 -1.152 17705 3718 1 9 . 1 1 117 117 ARG H H 83 7.499 7.499 8.210 -0.711 17705 3719 1 9 . 1 1 118 118 GLU N N 84 121.274 121.274 118.817 2.457 17705 3720 1 9 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.212 0.107 17705 3721 1 9 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.306 -3.289 17705 3722 1 9 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.832 -2.643 17705 3723 1 9 . 1 1 118 118 GLU H H 84 8.369 8.369 8.031 0.338 17705 3724 1 9 . 1 1 119 119 LEU N N 85 128.104 128.104 122.916 5.188 17705 3725 1 9 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.125 0.425 17705 3726 1 9 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.296 -4.510 17705 3727 1 9 . 1 1 119 119 LEU CB C 85 40.888 40.888 43.017 -2.129 17705 3728 1 9 . 1 1 119 119 LEU H H 85 9.356 9.356 8.446 0.910 17705 3729 1 9 . 1 1 120 120 ARG N N 86 121.349 121.349 120.604 0.745 17705 3730 1 9 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.048 0.106 17705 3731 1 9 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.793 -2.144 17705 3732 1 9 . 1 1 120 120 ARG CB C 86 29.575 29.575 32.812 -3.237 17705 3733 1 9 . 1 1 120 120 ARG H H 86 7.677 7.677 8.576 -0.899 17705 3734 1 9 . 1 1 121 121 VAL N N 87 126.888 126.888 122.544 4.344 17705 3735 1 9 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.788 0.353 17705 3736 1 9 . 1 1 121 121 VAL CA C 87 58.525 58.525 61.101 -2.576 17705 3737 1 9 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.081 -3.148 17705 3738 1 9 . 1 1 121 121 VAL H H 87 9.435 9.435 8.962 0.473 17705 3739 1 9 . 1 1 122 122 GLN N N 88 122.184 122.184 122.144 0.040 17705 3740 1 9 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.747 0.188 17705 3741 1 9 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.874 -2.884 17705 3742 1 9 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.266 -0.906 17705 3743 1 9 . 1 1 122 122 GLN H H 88 8.520 8.520 8.910 -0.390 17705 3744 1 9 . 1 1 123 123 MET N N 89 122.187 122.187 120.151 2.036 17705 3745 1 9 . 1 1 123 123 MET HA H 89 4.660 4.660 4.276 0.384 17705 3746 1 9 . 1 1 123 123 MET CB C 89 29.398 29.398 32.393 -2.995 17705 3747 1 9 . 1 1 123 123 MET H H 89 8.699 8.699 9.031 -0.332 17705 3748 1 9 . 1 1 124 124 ALA N N 90 127.406 127.406 124.803 2.603 17705 3749 1 9 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.108 0.341 17705 3750 1 9 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.238 -2.656 17705 3751 1 9 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.078 -1.280 17705 3752 1 9 . 1 1 124 124 ALA H H 90 8.592 8.592 8.568 0.024 17705 3753 1 9 . 1 1 125 125 ARG N N 91 119.981 119.981 114.272 5.709 17705 3754 1 9 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.824 0.495 17705 3755 1 9 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.285 -4.067 17705 3756 1 9 . 1 1 125 125 ARG CB C 91 28.634 28.634 26.858 1.776 17705 3757 1 9 . 1 1 125 125 ARG H H 91 8.299 8.299 8.248 0.051 17705 3758 1 9 . 1 1 126 126 TYR N N 92 121.757 121.757 117.920 3.837 17705 3759 1 9 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.837 -0.371 17705 3760 1 9 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.676 -1.586 17705 3761 1 9 . 1 1 126 126 TYR CB C 92 36.470 36.470 43.196 -6.726 17705 3762 1 9 . 1 1 126 126 TYR H H 92 8.182 8.182 7.435 0.747 17705 3763 1 9 . 1 1 127 127 GLY N N 93 110.707 110.707 108.279 2.428 17705 3764 1 9 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.750 -3.408 17705 3765 1 9 . 1 1 127 127 GLY H H 93 7.969 7.969 8.447 -0.478 17705 3766 1 9 . 1 1 128 128 ARG N N 94 121.504 121.504 121.016 0.488 17705 3767 1 9 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.745 -0.280 17705 3768 1 9 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.656 -2.607 17705 3769 1 9 . 1 1 128 128 ARG H H 94 7.930 7.930 8.473 -0.543 17705 3770 1 9 . 1 1 131 131 ASP N N 97 120.004 120.004 117.408 2.596 17705 3771 1 9 . 1 1 131 131 ASP H H 97 8.289 8.289 8.552 -0.263 17705 3772 1 9 . 1 1 132 132 SER N N 98 115.594 115.594 112.261 3.333 17705 3773 1 9 . 1 1 132 132 SER HA H 98 4.348 4.348 4.496 -0.148 17705 3774 1 9 . 1 1 132 132 SER CB C 98 61.181 61.181 64.635 -3.454 17705 3775 1 9 . 1 1 132 132 SER H H 98 8.128 8.128 7.262 0.866 17705 3776 1 9 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.349 -3.280 17705 3777 1 9 . 1 1 133 133 HIS H H 99 8.290 8.290 8.317 -0.027 17705 3778 1 9 . 1 1 134 134 HIS N N 100 120.371 120.371 118.578 1.793 17705 3779 1 9 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.069 -3.018 17705 3780 1 9 . 1 1 134 134 HIS H H 100 7.251 7.251 7.740 -0.489 17705 3781 1 10 . 1 1 36 36 SER N N 2 116.240 116.240 118.493 -2.253 17705 3782 1 10 . 1 1 36 36 SER HA H 2 4.389 4.389 4.943 -0.554 17705 3783 1 10 . 1 1 36 36 SER CB C 2 61.141 61.141 64.516 -3.375 17705 3784 1 10 . 1 1 36 36 SER H H 2 8.111 8.111 8.492 -0.381 17705 3785 1 10 . 1 1 37 37 TYR N N 3 121.776 121.776 118.088 3.688 17705 3786 1 10 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.896 -0.351 17705 3787 1 10 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.369 -2.074 17705 3788 1 10 . 1 1 37 37 TYR CB C 3 36.113 36.113 38.733 -2.620 17705 3789 1 10 . 1 1 37 37 TYR H H 3 8.062 8.062 8.278 -0.216 17705 3790 1 10 . 1 1 38 38 GLY N N 4 110.102 110.102 106.472 3.630 17705 3791 1 10 . 1 1 38 38 GLY CA C 4 42.578 42.578 43.915 -1.337 17705 3792 1 10 . 1 1 38 38 GLY H H 4 8.221 8.221 8.107 0.114 17705 3793 1 10 . 1 1 39 39 ARG N N 5 121.307 121.307 118.850 2.457 17705 3794 1 10 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.888 -0.306 17705 3795 1 10 . 1 1 39 39 ARG CA C 5 51.020 51.020 52.591 -1.571 17705 3796 1 10 . 1 1 39 39 ARG CB C 5 27.731 27.731 32.356 -4.625 17705 3797 1 10 . 1 1 39 39 ARG H H 5 7.967 7.967 8.068 -0.101 17705 3798 1 10 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.311 0.020 17705 3799 1 10 . 1 1 42 42 PRO CA C 8 60.519 60.519 64.550 -4.032 17705 3800 1 10 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.150 -2.860 17705 3801 1 10 . 1 1 43 43 ASP N N 9 119.234 119.234 113.869 5.365 17705 3802 1 10 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.665 -0.123 17705 3803 1 10 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.869 -4.450 17705 3804 1 10 . 1 1 43 43 ASP H H 9 8.260 8.260 8.035 0.225 17705 3805 1 10 . 1 1 44 44 VAL N N 10 119.005 119.005 114.805 4.200 17705 3806 1 10 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.703 0.328 17705 3807 1 10 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.629 -3.561 17705 3808 1 10 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.954 -1.106 17705 3809 1 10 . 1 1 44 44 VAL H H 10 7.903 7.903 7.887 0.016 17705 3810 1 10 . 1 1 45 45 GLU N N 11 122.556 122.556 119.478 3.078 17705 3811 1 10 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.221 -0.089 17705 3812 1 10 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.664 -2.906 17705 3813 1 10 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.810 -1.600 17705 3814 1 10 . 1 1 45 45 GLU H H 11 8.304 8.304 8.641 -0.337 17705 3815 1 10 . 1 1 46 46 GLY N N 12 108.250 108.250 105.293 2.957 17705 3816 1 10 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.986 -2.214 17705 3817 1 10 . 1 1 46 46 GLY H H 12 8.187 8.187 8.014 0.173 17705 3818 1 10 . 1 1 47 47 MET N N 13 118.678 118.678 118.928 -0.250 17705 3819 1 10 . 1 1 47 47 MET HA H 13 4.606 4.606 5.386 -0.780 17705 3820 1 10 . 1 1 47 47 MET CB C 13 30.713 30.713 37.535 -6.822 17705 3821 1 10 . 1 1 47 47 MET H H 13 7.798 7.798 7.601 0.197 17705 3822 1 10 . 1 1 48 48 THR N N 14 116.971 116.971 114.285 2.686 17705 3823 1 10 . 1 1 48 48 THR HA H 14 4.469 4.469 4.802 -0.333 17705 3824 1 10 . 1 1 48 48 THR CA C 14 60.072 60.072 61.118 -1.046 17705 3825 1 10 . 1 1 48 48 THR CB C 14 67.533 67.533 71.509 -3.976 17705 3826 1 10 . 1 1 48 48 THR H H 14 8.693 8.693 8.102 0.591 17705 3827 1 10 . 1 1 49 49 SER N N 15 121.549 121.549 113.624 7.925 17705 3828 1 10 . 1 1 49 49 SER HA H 15 5.369 5.369 4.547 0.822 17705 3829 1 10 . 1 1 49 49 SER CA C 15 55.530 55.530 59.350 -3.820 17705 3830 1 10 . 1 1 49 49 SER CB C 15 62.465 62.465 63.348 -0.883 17705 3831 1 10 . 1 1 49 49 SER H H 15 8.813 8.813 8.600 0.213 17705 3832 1 10 . 1 1 50 50 LEU N N 16 122.760 122.760 124.768 -2.008 17705 3833 1 10 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.477 0.638 17705 3834 1 10 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.533 -3.336 17705 3835 1 10 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.888 -3.267 17705 3836 1 10 . 1 1 50 50 LEU H H 16 9.287 9.287 8.349 0.938 17705 3837 1 10 . 1 1 51 51 LYS N N 17 123.384 123.384 123.258 0.126 17705 3838 1 10 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.129 -0.335 17705 3839 1 10 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.545 -1.964 17705 3840 1 10 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.802 -3.549 17705 3841 1 10 . 1 1 51 51 LYS H H 17 9.240 9.240 8.860 0.380 17705 3842 1 10 . 1 1 52 52 VAL N N 18 129.496 129.496 124.591 4.905 17705 3843 1 10 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.810 -0.045 17705 3844 1 10 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.559 -2.329 17705 3845 1 10 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.813 -5.060 17705 3846 1 10 . 1 1 52 52 VAL H H 18 9.194 9.194 7.906 1.288 17705 3847 1 10 . 1 1 53 53 ASP N N 19 126.148 126.148 125.776 0.372 17705 3848 1 10 . 1 1 53 53 ASP HA H 19 5.298 5.298 4.989 0.309 17705 3849 1 10 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.371 -2.308 17705 3850 1 10 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.955 -2.222 17705 3851 1 10 . 1 1 53 53 ASP H H 19 9.382 9.382 8.984 0.398 17705 3852 1 10 . 1 1 54 54 ASN N N 20 113.840 113.840 117.070 -3.230 17705 3853 1 10 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.661 -0.203 17705 3854 1 10 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.146 -3.019 17705 3855 1 10 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.117 -3.067 17705 3856 1 10 . 1 1 54 54 ASN H H 20 8.736 8.736 8.512 0.224 17705 3857 1 10 . 1 1 55 55 LEU N N 21 115.267 115.267 122.184 -6.917 17705 3858 1 10 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.750 -0.361 17705 3859 1 10 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.432 -2.264 17705 3860 1 10 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.449 -4.274 17705 3861 1 10 . 1 1 55 55 LEU H H 21 7.661 7.661 8.650 -0.989 17705 3862 1 10 . 1 1 56 56 THR N N 22 111.721 111.721 112.682 -0.961 17705 3863 1 10 . 1 1 56 56 THR CB C 22 68.066 68.066 70.110 -2.044 17705 3864 1 10 . 1 1 56 56 THR H H 22 8.377 8.377 8.323 0.054 17705 3865 1 10 . 1 1 57 57 TYR N N 23 122.454 122.454 118.135 4.319 17705 3866 1 10 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.194 0.114 17705 3867 1 10 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.012 -2.435 17705 3868 1 10 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.368 -1.975 17705 3869 1 10 . 1 1 57 57 TYR H H 23 8.601 8.601 7.957 0.644 17705 3870 1 10 . 1 1 58 58 ARG N N 24 114.958 114.958 118.414 -3.456 17705 3871 1 10 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.287 -0.073 17705 3872 1 10 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.563 -2.292 17705 3873 1 10 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.889 -3.501 17705 3874 1 10 . 1 1 58 58 ARG H H 24 7.366 7.366 8.022 -0.656 17705 3875 1 10 . 1 1 59 59 THR N N 25 119.016 119.016 115.501 3.515 17705 3876 1 10 . 1 1 59 59 THR HA H 25 4.037 4.037 4.085 -0.048 17705 3877 1 10 . 1 1 59 59 THR CA C 25 62.031 62.031 64.784 -2.753 17705 3878 1 10 . 1 1 59 59 THR CB C 25 65.705 65.705 68.966 -3.261 17705 3879 1 10 . 1 1 59 59 THR H H 25 7.356 7.356 8.010 -0.654 17705 3880 1 10 . 1 1 60 60 SER N N 26 124.554 124.554 113.837 10.717 17705 3881 1 10 . 1 1 60 60 SER HA H 26 4.834 4.834 4.202 0.632 17705 3882 1 10 . 1 1 60 60 SER CA C 26 52.978 52.978 58.503 -5.525 17705 3883 1 10 . 1 1 60 60 SER CB C 26 61.637 61.637 62.924 -1.287 17705 3884 1 10 . 1 1 60 60 SER H H 26 8.404 8.404 7.932 0.472 17705 3885 1 10 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.288 -0.247 17705 3886 1 10 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.300 -2.223 17705 3887 1 10 . 1 1 62 62 ASP N N 28 115.821 115.821 118.627 -2.806 17705 3888 1 10 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.461 -0.088 17705 3889 1 10 . 1 1 62 62 ASP CA C 28 54.581 54.581 58.011 -3.430 17705 3890 1 10 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.154 -1.939 17705 3891 1 10 . 1 1 62 62 ASP H H 28 8.022 8.022 8.744 -0.722 17705 3892 1 10 . 1 1 63 63 THR N N 29 118.403 118.403 116.999 1.404 17705 3893 1 10 . 1 1 63 63 THR HA H 29 3.898 3.898 4.112 -0.214 17705 3894 1 10 . 1 1 63 63 THR CA C 29 63.704 63.704 65.810 -2.106 17705 3895 1 10 . 1 1 63 63 THR CB C 29 65.555 65.555 68.812 -3.257 17705 3896 1 10 . 1 1 63 63 THR H H 29 7.791 7.791 7.676 0.115 17705 3897 1 10 . 1 1 64 64 LEU N N 30 119.247 119.247 121.338 -2.091 17705 3898 1 10 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.168 -0.130 17705 3899 1 10 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.857 -2.757 17705 3900 1 10 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.622 -1.820 17705 3901 1 10 . 1 1 64 64 LEU H H 30 7.607 7.607 7.638 -0.031 17705 3902 1 10 . 1 1 65 65 ARG N N 31 118.798 118.798 119.384 -0.586 17705 3903 1 10 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.105 -0.465 17705 3904 1 10 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.012 -0.697 17705 3905 1 10 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.846 -2.292 17705 3906 1 10 . 1 1 65 65 ARG H H 31 8.547 8.547 8.053 0.494 17705 3907 1 10 . 1 1 66 66 ARG N N 32 116.038 116.038 117.561 -1.523 17705 3908 1 10 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.323 -0.261 17705 3909 1 10 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.460 -1.774 17705 3910 1 10 . 1 1 66 66 ARG H H 32 7.732 7.732 7.662 0.070 17705 3911 1 10 . 1 1 67 67 VAL N N 33 115.825 115.825 118.130 -2.305 17705 3912 1 10 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.923 -0.079 17705 3913 1 10 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.461 -1.731 17705 3914 1 10 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.434 -2.944 17705 3915 1 10 . 1 1 67 67 VAL H H 33 7.837 7.837 7.604 0.233 17705 3916 1 10 . 1 1 68 68 PHE N N 34 116.175 116.175 116.658 -0.483 17705 3917 1 10 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.891 -0.394 17705 3918 1 10 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.596 0.658 17705 3919 1 10 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.212 -4.952 17705 3920 1 10 . 1 1 68 68 PHE H H 34 8.194 8.194 7.730 0.464 17705 3921 1 10 . 1 1 69 69 GLU N N 35 119.377 119.377 121.187 -1.810 17705 3922 1 10 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.221 0.828 17705 3923 1 10 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.959 -4.048 17705 3924 1 10 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.822 -2.600 17705 3925 1 10 . 1 1 69 69 GLU H H 35 8.669 8.669 8.864 -0.195 17705 3926 1 10 . 1 1 70 70 LYS N N 36 118.371 118.371 118.722 -0.351 17705 3927 1 10 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.024 -0.152 17705 3928 1 10 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.365 -2.886 17705 3929 1 10 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.461 -2.241 17705 3930 1 10 . 1 1 70 70 LYS H H 36 6.866 6.866 8.244 -1.378 17705 3931 1 10 . 1 1 71 71 TYR N N 37 115.053 115.053 118.120 -3.067 17705 3932 1 10 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.350 -0.037 17705 3933 1 10 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.765 -3.634 17705 3934 1 10 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.070 -2.308 17705 3935 1 10 . 1 1 71 71 TYR H H 37 7.637 7.637 7.744 -0.107 17705 3936 1 10 . 1 1 72 72 GLY N N 38 104.732 104.732 105.825 -1.093 17705 3937 1 10 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.355 -3.662 17705 3938 1 10 . 1 1 72 72 GLY H H 38 7.353 7.353 7.958 -0.605 17705 3939 1 10 . 1 1 73 73 ARG N N 39 115.823 115.823 119.041 -3.218 17705 3940 1 10 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.457 -0.131 17705 3941 1 10 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.833 -0.269 17705 3942 1 10 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.070 -5.219 17705 3943 1 10 . 1 1 73 73 ARG H H 39 7.975 7.975 8.158 -0.183 17705 3944 1 10 . 1 1 74 74 VAL N N 40 129.287 129.287 121.106 8.181 17705 3945 1 10 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.465 0.226 17705 3946 1 10 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.648 -1.371 17705 3947 1 10 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.343 -2.625 17705 3948 1 10 . 1 1 74 74 VAL H H 40 8.826 8.826 8.431 0.395 17705 3949 1 10 . 1 1 75 75 GLY N N 41 115.247 115.247 114.649 0.598 17705 3950 1 10 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.042 -2.832 17705 3951 1 10 . 1 1 75 75 GLY H H 41 9.023 9.023 8.354 0.669 17705 3952 1 10 . 1 1 76 76 ASP N N 42 117.313 117.313 118.488 -1.175 17705 3953 1 10 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.869 -0.222 17705 3954 1 10 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.832 -3.251 17705 3955 1 10 . 1 1 76 76 ASP H H 42 7.375 7.375 8.104 -0.729 17705 3956 1 10 . 1 1 77 77 VAL N N 43 121.209 121.209 122.864 -1.655 17705 3957 1 10 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.327 0.316 17705 3958 1 10 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.866 -1.824 17705 3959 1 10 . 1 1 77 77 VAL H H 43 7.799 7.799 8.485 -0.686 17705 3960 1 10 . 1 1 78 78 TYR N N 44 127.478 127.478 126.530 0.948 17705 3961 1 10 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.818 0.236 17705 3962 1 10 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.460 -3.567 17705 3963 1 10 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.122 -2.348 17705 3964 1 10 . 1 1 78 78 TYR H H 44 9.056 9.056 8.082 0.974 17705 3965 1 10 . 1 1 79 79 ILE N N 45 128.848 128.848 119.984 8.864 17705 3966 1 10 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.288 0.109 17705 3967 1 10 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.233 -1.578 17705 3968 1 10 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.801 -3.431 17705 3969 1 10 . 1 1 79 79 ILE H H 45 8.484 8.484 8.497 -0.013 17705 3970 1 10 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.687 -0.628 17705 3971 1 10 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.565 -2.804 17705 3972 1 10 . 1 1 81 81 ARG N N 47 119.796 119.796 119.466 0.330 17705 3973 1 10 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.094 0.342 17705 3974 1 10 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.476 -0.502 17705 3975 1 10 . 1 1 81 81 ARG H H 47 8.131 8.131 7.644 0.487 17705 3976 1 10 . 1 1 82 82 ASP N N 48 122.427 122.427 119.856 2.571 17705 3977 1 10 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.257 0.180 17705 3978 1 10 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.771 -3.123 17705 3979 1 10 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.145 -0.791 17705 3980 1 10 . 1 1 82 82 ASP H H 48 8.511 8.511 8.306 0.205 17705 3981 1 10 . 1 1 83 83 ARG N N 49 124.150 124.150 117.539 6.611 17705 3982 1 10 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.387 -0.388 17705 3983 1 10 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.310 -3.652 17705 3984 1 10 . 1 1 83 83 ARG H H 49 8.546 8.546 8.277 0.269 17705 3985 1 10 . 1 1 84 84 TYR N N 50 118.236 118.236 114.467 3.769 17705 3986 1 10 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.987 -0.334 17705 3987 1 10 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.451 -2.519 17705 3988 1 10 . 1 1 84 84 TYR H H 50 8.376 8.376 7.289 1.087 17705 3989 1 10 . 1 1 85 85 THR N N 51 111.445 111.445 113.958 -2.513 17705 3990 1 10 . 1 1 85 85 THR HA H 51 4.306 4.306 4.663 -0.357 17705 3991 1 10 . 1 1 85 85 THR CA C 51 59.280 59.280 60.328 -1.048 17705 3992 1 10 . 1 1 85 85 THR CB C 51 67.748 67.748 70.664 -2.916 17705 3993 1 10 . 1 1 85 85 THR H H 51 8.790 8.790 8.302 0.488 17705 3994 1 10 . 1 1 86 86 LYS N N 52 115.778 115.778 119.457 -3.679 17705 3995 1 10 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.591 -0.605 17705 3996 1 10 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.840 -0.650 17705 3997 1 10 . 1 1 86 86 LYS H H 52 7.947 7.947 8.534 -0.587 17705 3998 1 10 . 1 1 87 87 GLU N N 53 118.931 118.931 117.137 1.794 17705 3999 1 10 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.801 -0.479 17705 4000 1 10 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.141 -3.780 17705 4001 1 10 . 1 1 87 87 GLU H H 53 7.881 7.881 7.756 0.125 17705 4002 1 10 . 1 1 88 88 SER N N 54 116.268 116.268 114.219 2.049 17705 4003 1 10 . 1 1 88 88 SER HA H 54 4.324 4.324 4.728 -0.404 17705 4004 1 10 . 1 1 88 88 SER CA C 54 55.543 55.543 56.556 -1.013 17705 4005 1 10 . 1 1 88 88 SER CB C 54 61.291 61.291 65.188 -3.897 17705 4006 1 10 . 1 1 88 88 SER H H 54 8.472 8.472 8.556 -0.084 17705 4007 1 10 . 1 1 89 89 ARG N N 55 121.084 121.084 120.064 1.020 17705 4008 1 10 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.354 -0.021 17705 4009 1 10 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.323 -2.084 17705 4010 1 10 . 1 1 89 89 ARG H H 55 8.121 8.121 8.624 -0.503 17705 4011 1 10 . 1 1 90 90 GLY CA C 56 43.195 43.195 45.297 -2.102 17705 4012 1 10 . 1 1 90 90 GLY H H 56 8.334 8.334 8.316 0.018 17705 4013 1 10 . 1 1 91 91 PHE N N 57 113.361 113.361 114.616 -1.255 17705 4014 1 10 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.009 0.654 17705 4015 1 10 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.118 -3.234 17705 4016 1 10 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.411 -0.951 17705 4017 1 10 . 1 1 91 91 PHE H H 57 6.980 6.980 7.616 -0.636 17705 4018 1 10 . 1 1 92 92 ALA N N 58 118.350 118.350 123.064 -4.714 17705 4019 1 10 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.535 0.281 17705 4020 1 10 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.617 -3.448 17705 4021 1 10 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.457 1.824 17705 4022 1 10 . 1 1 92 92 ALA H H 58 8.854 8.854 8.071 0.783 17705 4023 1 10 . 1 1 93 93 PHE N N 59 116.210 116.210 118.674 -2.464 17705 4024 1 10 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.619 1.172 17705 4025 1 10 . 1 1 93 93 PHE CA C 59 53.739 53.739 57.057 -3.318 17705 4026 1 10 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.300 -2.374 17705 4027 1 10 . 1 1 93 93 PHE H H 59 9.011 9.011 7.950 1.061 17705 4028 1 10 . 1 1 94 94 VAL N N 60 123.082 123.082 120.711 2.371 17705 4029 1 10 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.341 0.006 17705 4030 1 10 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.837 -3.141 17705 4031 1 10 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.715 -1.121 17705 4032 1 10 . 1 1 94 94 VAL H H 60 8.878 8.878 7.544 1.334 17705 4033 1 10 . 1 1 95 95 ARG N N 61 125.689 125.689 127.176 -1.487 17705 4034 1 10 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.216 0.016 17705 4035 1 10 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.273 -2.088 17705 4036 1 10 . 1 1 95 95 ARG H H 61 8.649 8.649 8.936 -0.287 17705 4037 1 10 . 1 1 96 96 PHE N N 62 123.552 123.552 122.913 0.639 17705 4038 1 10 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.590 0.239 17705 4039 1 10 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.632 -0.633 17705 4040 1 10 . 1 1 96 96 PHE CB C 62 39.483 39.483 42.258 -2.776 17705 4041 1 10 . 1 1 96 96 PHE H H 62 9.152 9.152 9.124 0.028 17705 4042 1 10 . 1 1 97 97 HIS N N 63 119.487 119.487 117.652 1.835 17705 4043 1 10 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.727 -0.326 17705 4044 1 10 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.622 -3.205 17705 4045 1 10 . 1 1 97 97 HIS H H 63 7.904 7.904 7.953 -0.049 17705 4046 1 10 . 1 1 98 98 ASP N N 64 119.624 119.624 120.108 -0.484 17705 4047 1 10 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.912 0.120 17705 4048 1 10 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.320 -3.082 17705 4049 1 10 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.764 -1.194 17705 4050 1 10 . 1 1 98 98 ASP H H 64 9.103 9.103 7.951 1.152 17705 4051 1 10 . 1 1 99 99 LYS N N 65 127.479 127.479 125.587 1.892 17705 4052 1 10 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.090 -0.230 17705 4053 1 10 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.627 -1.502 17705 4054 1 10 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.304 -2.019 17705 4055 1 10 . 1 1 99 99 LYS H H 65 8.743 8.743 8.800 -0.057 17705 4056 1 10 . 1 1 100 100 ARG N N 66 118.795 118.795 119.113 -0.318 17705 4057 1 10 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.402 -0.339 17705 4058 1 10 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.352 -2.292 17705 4059 1 10 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.476 -2.703 17705 4060 1 10 . 1 1 100 100 ARG H H 66 8.604 8.604 8.904 -0.300 17705 4061 1 10 . 1 1 101 101 ASP N N 67 119.686 119.686 119.113 0.573 17705 4062 1 10 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.641 -0.439 17705 4063 1 10 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.279 -3.061 17705 4064 1 10 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.534 -2.460 17705 4065 1 10 . 1 1 101 101 ASP H H 67 7.105 7.105 7.924 -0.819 17705 4066 1 10 . 1 1 102 102 ALA N N 68 119.709 119.709 122.891 -3.182 17705 4067 1 10 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.671 -0.845 17705 4068 1 10 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.764 -3.085 17705 4069 1 10 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.504 -2.914 17705 4070 1 10 . 1 1 102 102 ALA H H 68 6.848 6.848 7.911 -1.063 17705 4071 1 10 . 1 1 103 103 GLU N N 69 117.431 117.431 119.962 -2.531 17705 4072 1 10 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.890 -0.235 17705 4073 1 10 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.963 -2.794 17705 4074 1 10 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.552 -3.052 17705 4075 1 10 . 1 1 103 103 GLU H H 69 8.008 8.008 8.386 -0.378 17705 4076 1 10 . 1 1 104 104 ASP N N 70 120.512 120.512 118.861 1.651 17705 4077 1 10 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.390 -0.124 17705 4078 1 10 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.522 -3.005 17705 4079 1 10 . 1 1 104 104 ASP H H 70 8.022 8.022 7.661 0.361 17705 4080 1 10 . 1 1 105 105 ALA N N 71 122.325 122.325 121.811 0.514 17705 4081 1 10 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.583 0.202 17705 4082 1 10 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.400 -2.666 17705 4083 1 10 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.415 -1.267 17705 4084 1 10 . 1 1 105 105 ALA H H 71 8.109 8.109 7.346 0.763 17705 4085 1 10 . 1 1 106 106 MET N N 72 118.595 118.595 118.708 -0.113 17705 4086 1 10 . 1 1 106 106 MET HA H 72 3.657 3.657 4.043 -0.386 17705 4087 1 10 . 1 1 106 106 MET CA C 72 57.163 57.163 58.756 -1.593 17705 4088 1 10 . 1 1 106 106 MET CB C 72 30.248 30.248 32.739 -2.491 17705 4089 1 10 . 1 1 106 106 MET H H 72 8.293 8.293 8.030 0.263 17705 4090 1 10 . 1 1 107 107 ASP N N 73 117.126 117.126 118.350 -1.224 17705 4091 1 10 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.503 -0.179 17705 4092 1 10 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.229 -2.181 17705 4093 1 10 . 1 1 107 107 ASP CB C 73 38.348 38.348 41.080 -2.732 17705 4094 1 10 . 1 1 107 107 ASP H H 73 7.784 7.784 8.202 -0.418 17705 4095 1 10 . 1 1 108 108 ALA N N 74 117.971 117.971 116.737 1.234 17705 4096 1 10 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.470 -0.359 17705 4097 1 10 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.163 -0.789 17705 4098 1 10 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.011 -2.358 17705 4099 1 10 . 1 1 108 108 ALA H H 74 7.366 7.366 7.350 0.016 17705 4100 1 10 . 1 1 109 109 MET N N 75 112.248 112.248 114.905 -2.657 17705 4101 1 10 . 1 1 109 109 MET HA H 75 4.756 4.756 4.508 0.248 17705 4102 1 10 . 1 1 109 109 MET CA C 75 50.696 50.696 54.406 -3.710 17705 4103 1 10 . 1 1 109 109 MET H H 75 8.077 8.077 7.449 0.628 17705 4104 1 10 . 1 1 110 110 ASP N N 76 120.144 120.144 121.545 -1.401 17705 4105 1 10 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.380 0.033 17705 4106 1 10 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.680 -0.750 17705 4107 1 10 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.856 -2.276 17705 4108 1 10 . 1 1 110 110 ASP H H 76 7.915 7.915 7.946 -0.031 17705 4109 1 10 . 1 1 111 111 GLY N N 77 117.810 117.810 113.828 3.982 17705 4110 1 10 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.843 -2.995 17705 4111 1 10 . 1 1 111 111 GLY H H 77 8.680 8.680 8.724 -0.044 17705 4112 1 10 . 1 1 112 112 ALA N N 78 123.748 123.748 122.384 1.364 17705 4113 1 10 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.501 -0.174 17705 4114 1 10 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.019 -2.051 17705 4115 1 10 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.663 -2.184 17705 4116 1 10 . 1 1 112 112 ALA H H 78 7.918 7.918 7.472 0.446 17705 4117 1 10 . 1 1 113 113 VAL N N 79 118.622 118.622 117.313 1.309 17705 4118 1 10 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.817 0.823 17705 4119 1 10 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.452 -1.830 17705 4120 1 10 . 1 1 113 113 VAL H H 79 8.091 8.091 8.014 0.077 17705 4121 1 10 . 1 1 114 114 LEU N N 80 129.451 129.451 120.687 8.764 17705 4122 1 10 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.341 0.204 17705 4123 1 10 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.458 -4.510 17705 4124 1 10 . 1 1 114 114 LEU CB C 80 42.680 42.680 40.812 1.868 17705 4125 1 10 . 1 1 114 114 LEU H H 80 8.875 8.875 8.239 0.636 17705 4126 1 10 . 1 1 115 115 ASP N N 81 129.610 129.610 118.489 11.121 17705 4127 1 10 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.671 -0.438 17705 4128 1 10 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.220 -1.945 17705 4129 1 10 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.927 -4.669 17705 4130 1 10 . 1 1 115 115 ASP H H 81 9.445 9.445 8.121 1.324 17705 4131 1 10 . 1 1 116 116 GLY N N 82 100.657 100.657 107.372 -6.715 17705 4132 1 10 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.633 -2.748 17705 4133 1 10 . 1 1 116 116 GLY H H 82 8.008 8.008 8.313 -0.305 17705 4134 1 10 . 1 1 117 117 ARG N N 83 120.179 120.179 117.888 2.291 17705 4135 1 10 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.503 0.043 17705 4136 1 10 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.758 -4.810 17705 4137 1 10 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.566 -0.998 17705 4138 1 10 . 1 1 117 117 ARG H H 83 7.499 7.499 7.857 -0.358 17705 4139 1 10 . 1 1 118 118 GLU N N 84 121.274 121.274 116.941 4.333 17705 4140 1 10 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.458 -0.139 17705 4141 1 10 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.165 -3.148 17705 4142 1 10 . 1 1 118 118 GLU CB C 84 27.189 27.189 30.885 -3.696 17705 4143 1 10 . 1 1 118 118 GLU H H 84 8.369 8.369 7.933 0.436 17705 4144 1 10 . 1 1 119 119 LEU N N 85 128.104 128.104 119.040 9.064 17705 4145 1 10 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.719 -0.169 17705 4146 1 10 . 1 1 119 119 LEU CA C 85 51.786 51.786 53.014 -1.228 17705 4147 1 10 . 1 1 119 119 LEU CB C 85 40.888 40.888 46.357 -5.469 17705 4148 1 10 . 1 1 119 119 LEU H H 85 9.356 9.356 8.567 0.789 17705 4149 1 10 . 1 1 120 120 ARG N N 86 121.349 121.349 120.081 1.268 17705 4150 1 10 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.105 0.049 17705 4151 1 10 . 1 1 120 120 ARG CA C 86 51.649 51.649 54.141 -2.492 17705 4152 1 10 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.495 -3.920 17705 4153 1 10 . 1 1 120 120 ARG H H 86 7.677 7.677 8.394 -0.717 17705 4154 1 10 . 1 1 121 121 VAL N N 87 126.888 126.888 123.206 3.682 17705 4155 1 10 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.717 0.424 17705 4156 1 10 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.770 -2.245 17705 4157 1 10 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.053 -3.120 17705 4158 1 10 . 1 1 121 121 VAL H H 87 9.435 9.435 9.189 0.246 17705 4159 1 10 . 1 1 122 122 GLN N N 88 122.184 122.184 120.705 1.479 17705 4160 1 10 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.701 0.234 17705 4161 1 10 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.523 -2.534 17705 4162 1 10 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.777 -0.417 17705 4163 1 10 . 1 1 122 122 GLN H H 88 8.520 8.520 8.679 -0.159 17705 4164 1 10 . 1 1 123 123 MET N N 89 122.187 122.187 120.201 1.986 17705 4165 1 10 . 1 1 123 123 MET HA H 89 4.660 4.660 4.315 0.345 17705 4166 1 10 . 1 1 123 123 MET CB C 89 29.398 29.398 31.973 -2.575 17705 4167 1 10 . 1 1 123 123 MET H H 89 8.699 8.699 8.957 -0.258 17705 4168 1 10 . 1 1 124 124 ALA N N 90 127.406 127.406 125.958 1.448 17705 4169 1 10 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.149 0.300 17705 4170 1 10 . 1 1 124 124 ALA CA C 90 49.582 49.582 51.758 -2.176 17705 4171 1 10 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.137 -2.339 17705 4172 1 10 . 1 1 124 124 ALA H H 90 8.592 8.592 8.758 -0.166 17705 4173 1 10 . 1 1 125 125 ARG N N 91 119.981 119.981 114.591 5.390 17705 4174 1 10 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.830 0.489 17705 4175 1 10 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.321 -4.103 17705 4176 1 10 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.776 0.858 17705 4177 1 10 . 1 1 125 125 ARG H H 91 8.299 8.299 8.004 0.295 17705 4178 1 10 . 1 1 126 126 TYR N N 92 121.757 121.757 116.276 5.481 17705 4179 1 10 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.831 -0.365 17705 4180 1 10 . 1 1 126 126 TYR CA C 92 55.090 55.090 57.024 -1.934 17705 4181 1 10 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.872 -2.402 17705 4182 1 10 . 1 1 126 126 TYR H H 92 8.182 8.182 7.674 0.508 17705 4183 1 10 . 1 1 127 127 GLY N N 93 110.707 110.707 107.103 3.604 17705 4184 1 10 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.451 -2.109 17705 4185 1 10 . 1 1 127 127 GLY H H 93 7.969 7.969 7.508 0.461 17705 4186 1 10 . 1 1 128 128 ARG N N 94 121.504 121.504 120.686 0.818 17705 4187 1 10 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.716 -0.251 17705 4188 1 10 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.553 -2.504 17705 4189 1 10 . 1 1 128 128 ARG H H 94 7.930 7.930 8.366 -0.436 17705 4190 1 10 . 1 1 131 131 ASP N N 97 120.004 120.004 121.428 -1.424 17705 4191 1 10 . 1 1 131 131 ASP H H 97 8.289 8.289 8.656 -0.367 17705 4192 1 10 . 1 1 132 132 SER N N 98 115.594 115.594 113.428 2.166 17705 4193 1 10 . 1 1 132 132 SER HA H 98 4.348 4.348 4.659 -0.311 17705 4194 1 10 . 1 1 132 132 SER CB C 98 61.181 61.181 63.826 -2.645 17705 4195 1 10 . 1 1 132 132 SER H H 98 8.128 8.128 8.152 -0.024 17705 4196 1 10 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.046 -2.977 17705 4197 1 10 . 1 1 133 133 HIS H H 99 8.290 8.290 8.603 -0.313 17705 4198 1 10 . 1 1 134 134 HIS N N 100 120.371 120.371 117.235 3.136 17705 4199 1 10 . 1 1 134 134 HIS CB C 100 27.050 27.050 32.042 -4.992 17705 4200 1 10 . 1 1 134 134 HIS H H 100 7.251 7.251 8.769 -1.518 17705 4201 1 11 . 1 1 36 36 SER N N 2 116.240 116.240 116.302 -0.062 17705 4202 1 11 . 1 1 36 36 SER HA H 2 4.389 4.389 5.320 -0.931 17705 4203 1 11 . 1 1 36 36 SER CB C 2 61.141 61.141 65.501 -4.360 17705 4204 1 11 . 1 1 36 36 SER H H 2 8.111 8.111 8.977 -0.866 17705 4205 1 11 . 1 1 37 37 TYR N N 3 121.776 121.776 118.254 3.522 17705 4206 1 11 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.384 -0.839 17705 4207 1 11 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.074 -1.779 17705 4208 1 11 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.547 -3.434 17705 4209 1 11 . 1 1 37 37 TYR H H 3 8.062 8.062 8.764 -0.702 17705 4210 1 11 . 1 1 38 38 GLY N N 4 110.102 110.102 108.269 1.833 17705 4211 1 11 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.862 -2.284 17705 4212 1 11 . 1 1 38 38 GLY H H 4 8.221 8.221 8.366 -0.145 17705 4213 1 11 . 1 1 39 39 ARG N N 5 121.307 121.307 121.832 -0.525 17705 4214 1 11 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.461 0.121 17705 4215 1 11 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.544 -4.524 17705 4216 1 11 . 1 1 39 39 ARG CB C 5 27.731 27.731 30.370 -2.639 17705 4217 1 11 . 1 1 39 39 ARG H H 5 7.967 7.967 8.499 -0.532 17705 4218 1 11 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.478 -0.147 17705 4219 1 11 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.948 -2.429 17705 4220 1 11 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.391 -4.101 17705 4221 1 11 . 1 1 43 43 ASP N N 9 119.234 119.234 117.705 1.529 17705 4222 1 11 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.618 -0.076 17705 4223 1 11 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.255 -3.836 17705 4224 1 11 . 1 1 43 43 ASP H H 9 8.260 8.260 8.535 -0.275 17705 4225 1 11 . 1 1 44 44 VAL N N 10 119.005 119.005 114.237 4.768 17705 4226 1 11 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.606 0.425 17705 4227 1 11 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.373 -3.305 17705 4228 1 11 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.295 -0.447 17705 4229 1 11 . 1 1 44 44 VAL H H 10 7.903 7.903 8.038 -0.135 17705 4230 1 11 . 1 1 45 45 GLU N N 11 122.556 122.556 119.786 2.770 17705 4231 1 11 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.193 -0.061 17705 4232 1 11 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.431 -2.673 17705 4233 1 11 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.318 -2.108 17705 4234 1 11 . 1 1 45 45 GLU H H 11 8.304 8.304 8.730 -0.426 17705 4235 1 11 . 1 1 46 46 GLY N N 12 108.250 108.250 105.587 2.663 17705 4236 1 11 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.006 -2.234 17705 4237 1 11 . 1 1 46 46 GLY H H 12 8.187 8.187 8.019 0.168 17705 4238 1 11 . 1 1 47 47 MET N N 13 118.678 118.678 117.943 0.735 17705 4239 1 11 . 1 1 47 47 MET HA H 13 4.606 4.606 4.843 -0.237 17705 4240 1 11 . 1 1 47 47 MET CB C 13 30.713 30.713 35.915 -5.202 17705 4241 1 11 . 1 1 47 47 MET H H 13 7.798 7.798 7.420 0.378 17705 4242 1 11 . 1 1 48 48 THR N N 14 116.971 116.971 115.005 1.966 17705 4243 1 11 . 1 1 48 48 THR HA H 14 4.469 4.469 4.598 -0.129 17705 4244 1 11 . 1 1 48 48 THR CA C 14 60.072 60.072 62.425 -2.353 17705 4245 1 11 . 1 1 48 48 THR CB C 14 67.533 67.533 71.206 -3.672 17705 4246 1 11 . 1 1 48 48 THR H H 14 8.693 8.693 9.081 -0.388 17705 4247 1 11 . 1 1 49 49 SER N N 15 121.549 121.549 119.606 1.943 17705 4248 1 11 . 1 1 49 49 SER HA H 15 5.369 5.369 5.186 0.183 17705 4249 1 11 . 1 1 49 49 SER CA C 15 55.530 55.530 59.816 -4.286 17705 4250 1 11 . 1 1 49 49 SER CB C 15 62.465 62.465 64.283 -1.818 17705 4251 1 11 . 1 1 49 49 SER H H 15 8.813 8.813 8.128 0.685 17705 4252 1 11 . 1 1 50 50 LEU N N 16 122.760 122.760 125.233 -2.473 17705 4253 1 11 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.444 0.671 17705 4254 1 11 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.970 -3.773 17705 4255 1 11 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.731 -3.110 17705 4256 1 11 . 1 1 50 50 LEU H H 16 9.287 9.287 8.333 0.954 17705 4257 1 11 . 1 1 51 51 LYS N N 17 123.384 123.384 123.469 -0.085 17705 4258 1 11 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.246 -0.452 17705 4259 1 11 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.506 -1.925 17705 4260 1 11 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.794 -3.542 17705 4261 1 11 . 1 1 51 51 LYS H H 17 9.240 9.240 8.828 0.412 17705 4262 1 11 . 1 1 52 52 VAL N N 18 129.496 129.496 124.663 4.833 17705 4263 1 11 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.874 -0.109 17705 4264 1 11 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.540 -2.310 17705 4265 1 11 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.866 -5.113 17705 4266 1 11 . 1 1 52 52 VAL H H 18 9.194 9.194 7.939 1.255 17705 4267 1 11 . 1 1 53 53 ASP N N 19 126.148 126.148 125.679 0.469 17705 4268 1 11 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.015 0.283 17705 4269 1 11 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.454 -2.391 17705 4270 1 11 . 1 1 53 53 ASP CB C 19 42.733 42.733 45.002 -2.268 17705 4271 1 11 . 1 1 53 53 ASP H H 19 9.382 9.382 9.060 0.322 17705 4272 1 11 . 1 1 54 54 ASN N N 20 113.840 113.840 117.174 -3.334 17705 4273 1 11 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.658 -0.200 17705 4274 1 11 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.131 -3.004 17705 4275 1 11 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.135 -3.085 17705 4276 1 11 . 1 1 54 54 ASN H H 20 8.736 8.736 8.520 0.216 17705 4277 1 11 . 1 1 55 55 LEU N N 21 115.267 115.267 122.452 -7.185 17705 4278 1 11 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.771 -0.382 17705 4279 1 11 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.385 -2.216 17705 4280 1 11 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.535 -4.359 17705 4281 1 11 . 1 1 55 55 LEU H H 21 7.661 7.661 8.705 -1.044 17705 4282 1 11 . 1 1 56 56 THR N N 22 111.721 111.721 113.562 -1.841 17705 4283 1 11 . 1 1 56 56 THR CB C 22 68.066 68.066 69.998 -1.932 17705 4284 1 11 . 1 1 56 56 THR H H 22 8.377 8.377 8.319 0.058 17705 4285 1 11 . 1 1 57 57 TYR N N 23 122.454 122.454 117.173 5.281 17705 4286 1 11 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.190 0.118 17705 4287 1 11 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.330 -2.753 17705 4288 1 11 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.123 -1.730 17705 4289 1 11 . 1 1 57 57 TYR H H 23 8.601 8.601 8.037 0.564 17705 4290 1 11 . 1 1 58 58 ARG N N 24 114.958 114.958 118.013 -3.055 17705 4291 1 11 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.247 -0.033 17705 4292 1 11 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.636 -2.365 17705 4293 1 11 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.961 -3.573 17705 4294 1 11 . 1 1 58 58 ARG H H 24 7.366 7.366 7.800 -0.434 17705 4295 1 11 . 1 1 59 59 THR N N 25 119.016 119.016 116.610 2.406 17705 4296 1 11 . 1 1 59 59 THR HA H 25 4.037 4.037 4.099 -0.062 17705 4297 1 11 . 1 1 59 59 THR CA C 25 62.031 62.031 64.986 -2.955 17705 4298 1 11 . 1 1 59 59 THR CB C 25 65.705 65.705 69.120 -3.415 17705 4299 1 11 . 1 1 59 59 THR H H 25 7.356 7.356 8.232 -0.876 17705 4300 1 11 . 1 1 60 60 SER N N 26 124.554 124.554 114.325 10.229 17705 4301 1 11 . 1 1 60 60 SER HA H 26 4.834 4.834 4.254 0.580 17705 4302 1 11 . 1 1 60 60 SER CA C 26 52.978 52.978 59.239 -6.261 17705 4303 1 11 . 1 1 60 60 SER CB C 26 61.637 61.637 62.563 -0.926 17705 4304 1 11 . 1 1 60 60 SER H H 26 8.404 8.404 7.924 0.480 17705 4305 1 11 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.285 -0.244 17705 4306 1 11 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.364 -2.287 17705 4307 1 11 . 1 1 62 62 ASP N N 28 115.821 115.821 117.132 -1.311 17705 4308 1 11 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.458 -0.085 17705 4309 1 11 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.724 -3.143 17705 4310 1 11 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.627 -2.412 17705 4311 1 11 . 1 1 62 62 ASP H H 28 8.022 8.022 8.661 -0.639 17705 4312 1 11 . 1 1 63 63 THR N N 29 118.403 118.403 116.650 1.753 17705 4313 1 11 . 1 1 63 63 THR HA H 29 3.898 3.898 4.112 -0.214 17705 4314 1 11 . 1 1 63 63 THR CA C 29 63.704 63.704 66.160 -2.456 17705 4315 1 11 . 1 1 63 63 THR CB C 29 65.555 65.555 68.632 -3.078 17705 4316 1 11 . 1 1 63 63 THR H H 29 7.791 7.791 7.668 0.123 17705 4317 1 11 . 1 1 64 64 LEU N N 30 119.247 119.247 121.432 -2.185 17705 4318 1 11 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.191 -0.153 17705 4319 1 11 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.843 -2.743 17705 4320 1 11 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.609 -1.807 17705 4321 1 11 . 1 1 64 64 LEU H H 30 7.607 7.607 7.705 -0.098 17705 4322 1 11 . 1 1 65 65 ARG N N 31 118.798 118.798 119.412 -0.614 17705 4323 1 11 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.114 -0.474 17705 4324 1 11 . 1 1 65 65 ARG CA C 31 58.315 58.315 58.992 -0.677 17705 4325 1 11 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.870 -2.316 17705 4326 1 11 . 1 1 65 65 ARG H H 31 8.547 8.547 8.123 0.424 17705 4327 1 11 . 1 1 66 66 ARG N N 32 116.038 116.038 117.262 -1.224 17705 4328 1 11 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.351 -0.289 17705 4329 1 11 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.456 -1.770 17705 4330 1 11 . 1 1 66 66 ARG H H 32 7.732 7.732 7.771 -0.039 17705 4331 1 11 . 1 1 67 67 VAL N N 33 115.825 115.825 118.301 -2.476 17705 4332 1 11 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.898 -0.054 17705 4333 1 11 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.182 -1.452 17705 4334 1 11 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.707 -3.217 17705 4335 1 11 . 1 1 67 67 VAL H H 33 7.837 7.837 7.471 0.366 17705 4336 1 11 . 1 1 68 68 PHE N N 34 116.175 116.175 116.726 -0.551 17705 4337 1 11 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.925 -0.428 17705 4338 1 11 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.502 0.752 17705 4339 1 11 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.331 -5.071 17705 4340 1 11 . 1 1 68 68 PHE H H 34 8.194 8.194 7.750 0.444 17705 4341 1 11 . 1 1 69 69 GLU N N 35 119.377 119.377 121.198 -1.821 17705 4342 1 11 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.217 0.832 17705 4343 1 11 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.043 -4.132 17705 4344 1 11 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.809 -2.587 17705 4345 1 11 . 1 1 69 69 GLU H H 35 8.669 8.669 8.880 -0.211 17705 4346 1 11 . 1 1 70 70 LYS N N 36 118.371 118.371 118.661 -0.290 17705 4347 1 11 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.036 -0.164 17705 4348 1 11 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.362 -2.883 17705 4349 1 11 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.486 -2.266 17705 4350 1 11 . 1 1 70 70 LYS H H 36 6.866 6.866 8.260 -1.394 17705 4351 1 11 . 1 1 71 71 TYR N N 37 115.053 115.053 118.137 -3.084 17705 4352 1 11 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.357 -0.044 17705 4353 1 11 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.707 -3.576 17705 4354 1 11 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.105 -2.344 17705 4355 1 11 . 1 1 71 71 TYR H H 37 7.637 7.637 7.759 -0.122 17705 4356 1 11 . 1 1 72 72 GLY N N 38 104.732 104.732 105.885 -1.153 17705 4357 1 11 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.366 -3.673 17705 4358 1 11 . 1 1 72 72 GLY H H 38 7.353 7.353 7.978 -0.625 17705 4359 1 11 . 1 1 73 73 ARG N N 39 115.823 115.823 119.029 -3.206 17705 4360 1 11 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.463 -0.137 17705 4361 1 11 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.855 -0.291 17705 4362 1 11 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.077 -5.226 17705 4363 1 11 . 1 1 73 73 ARG H H 39 7.975 7.975 8.169 -0.194 17705 4364 1 11 . 1 1 74 74 VAL N N 40 129.287 129.287 120.485 8.802 17705 4365 1 11 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.468 0.223 17705 4366 1 11 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.735 -1.458 17705 4367 1 11 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.447 -2.728 17705 4368 1 11 . 1 1 74 74 VAL H H 40 8.826 8.826 8.479 0.347 17705 4369 1 11 . 1 1 75 75 GLY N N 41 115.247 115.247 114.939 0.308 17705 4370 1 11 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.963 -2.753 17705 4371 1 11 . 1 1 75 75 GLY H H 41 9.023 9.023 8.150 0.873 17705 4372 1 11 . 1 1 76 76 ASP N N 42 117.313 117.313 118.702 -1.389 17705 4373 1 11 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.831 -0.184 17705 4374 1 11 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.560 -2.979 17705 4375 1 11 . 1 1 76 76 ASP H H 42 7.375 7.375 8.128 -0.753 17705 4376 1 11 . 1 1 77 77 VAL N N 43 121.209 121.209 122.914 -1.705 17705 4377 1 11 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.335 0.308 17705 4378 1 11 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.861 -1.819 17705 4379 1 11 . 1 1 77 77 VAL H H 43 7.799 7.799 8.490 -0.691 17705 4380 1 11 . 1 1 78 78 TYR N N 44 127.478 127.478 126.472 1.006 17705 4381 1 11 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.811 0.243 17705 4382 1 11 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.511 -3.618 17705 4383 1 11 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.068 -2.294 17705 4384 1 11 . 1 1 78 78 TYR H H 44 9.056 9.056 8.075 0.981 17705 4385 1 11 . 1 1 79 79 ILE N N 45 128.848 128.848 119.886 8.962 17705 4386 1 11 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.285 0.112 17705 4387 1 11 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.193 -1.538 17705 4388 1 11 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.814 -3.444 17705 4389 1 11 . 1 1 79 79 ILE H H 45 8.484 8.484 8.496 -0.012 17705 4390 1 11 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.616 -0.557 17705 4391 1 11 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.385 -2.624 17705 4392 1 11 . 1 1 81 81 ARG N N 47 119.796 119.796 120.615 -0.819 17705 4393 1 11 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.035 0.401 17705 4394 1 11 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.940 -0.966 17705 4395 1 11 . 1 1 81 81 ARG H H 47 8.131 8.131 7.757 0.374 17705 4396 1 11 . 1 1 82 82 ASP N N 48 122.427 122.427 120.282 2.145 17705 4397 1 11 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.490 -0.053 17705 4398 1 11 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.291 -3.643 17705 4399 1 11 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.046 -0.692 17705 4400 1 11 . 1 1 82 82 ASP H H 48 8.511 8.511 8.209 0.302 17705 4401 1 11 . 1 1 83 83 ARG N N 49 124.150 124.150 118.752 5.398 17705 4402 1 11 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.471 -0.472 17705 4403 1 11 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.159 -3.501 17705 4404 1 11 . 1 1 83 83 ARG H H 49 8.546 8.546 8.498 0.048 17705 4405 1 11 . 1 1 84 84 TYR N N 50 118.236 118.236 115.842 2.394 17705 4406 1 11 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.837 -0.184 17705 4407 1 11 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.944 -3.012 17705 4408 1 11 . 1 1 84 84 TYR H H 50 8.376 8.376 7.574 0.802 17705 4409 1 11 . 1 1 85 85 THR N N 51 111.445 111.445 111.878 -0.433 17705 4410 1 11 . 1 1 85 85 THR HA H 51 4.306 4.306 4.550 -0.244 17705 4411 1 11 . 1 1 85 85 THR CA C 51 59.280 59.280 60.808 -1.528 17705 4412 1 11 . 1 1 85 85 THR CB C 51 67.748 67.748 71.619 -3.871 17705 4413 1 11 . 1 1 85 85 THR H H 51 8.790 8.790 7.256 1.534 17705 4414 1 11 . 1 1 86 86 LYS N N 52 115.778 115.778 120.175 -4.397 17705 4415 1 11 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.602 -0.616 17705 4416 1 11 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.605 -0.415 17705 4417 1 11 . 1 1 86 86 LYS H H 52 7.947 7.947 8.657 -0.710 17705 4418 1 11 . 1 1 87 87 GLU N N 53 118.931 118.931 117.062 1.869 17705 4419 1 11 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.816 -0.494 17705 4420 1 11 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.165 -3.804 17705 4421 1 11 . 1 1 87 87 GLU H H 53 7.881 7.881 7.638 0.243 17705 4422 1 11 . 1 1 88 88 SER N N 54 116.268 116.268 112.412 3.856 17705 4423 1 11 . 1 1 88 88 SER HA H 54 4.324 4.324 4.950 -0.626 17705 4424 1 11 . 1 1 88 88 SER CA C 54 55.543 55.543 56.422 -0.879 17705 4425 1 11 . 1 1 88 88 SER CB C 54 61.291 61.291 66.685 -5.394 17705 4426 1 11 . 1 1 88 88 SER H H 54 8.472 8.472 8.307 0.165 17705 4427 1 11 . 1 1 89 89 ARG N N 55 121.084 121.084 120.407 0.677 17705 4428 1 11 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.405 -0.072 17705 4429 1 11 . 1 1 89 89 ARG CB C 55 28.239 28.239 29.975 -1.736 17705 4430 1 11 . 1 1 89 89 ARG H H 55 8.121 8.121 8.587 -0.466 17705 4431 1 11 . 1 1 90 90 GLY CA C 56 43.195 43.195 45.120 -1.925 17705 4432 1 11 . 1 1 90 90 GLY H H 56 8.334 8.334 8.035 0.299 17705 4433 1 11 . 1 1 91 91 PHE N N 57 113.361 113.361 114.485 -1.124 17705 4434 1 11 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.018 0.645 17705 4435 1 11 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.130 -3.246 17705 4436 1 11 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.476 -1.016 17705 4437 1 11 . 1 1 91 91 PHE H H 57 6.980 6.980 7.585 -0.605 17705 4438 1 11 . 1 1 92 92 ALA N N 58 118.350 118.350 123.307 -4.957 17705 4439 1 11 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.526 0.290 17705 4440 1 11 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.628 -3.459 17705 4441 1 11 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.407 1.874 17705 4442 1 11 . 1 1 92 92 ALA H H 58 8.854 8.854 8.101 0.753 17705 4443 1 11 . 1 1 93 93 PHE N N 59 116.210 116.210 118.875 -2.665 17705 4444 1 11 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.648 1.143 17705 4445 1 11 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.831 -3.092 17705 4446 1 11 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.211 -2.285 17705 4447 1 11 . 1 1 93 93 PHE H H 59 9.011 9.011 7.929 1.082 17705 4448 1 11 . 1 1 94 94 VAL N N 60 123.082 123.082 120.812 2.270 17705 4449 1 11 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.386 -0.039 17705 4450 1 11 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.752 -3.056 17705 4451 1 11 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.843 -1.250 17705 4452 1 11 . 1 1 94 94 VAL H H 60 8.878 8.878 7.568 1.310 17705 4453 1 11 . 1 1 95 95 ARG N N 61 125.689 125.689 126.856 -1.167 17705 4454 1 11 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.274 -0.042 17705 4455 1 11 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.252 -2.067 17705 4456 1 11 . 1 1 95 95 ARG H H 61 8.649 8.649 9.000 -0.351 17705 4457 1 11 . 1 1 96 96 PHE N N 62 123.552 123.552 123.835 -0.283 17705 4458 1 11 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.679 0.150 17705 4459 1 11 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.589 -0.590 17705 4460 1 11 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.555 -2.072 17705 4461 1 11 . 1 1 96 96 PHE H H 62 9.152 9.152 8.496 0.656 17705 4462 1 11 . 1 1 97 97 HIS N N 63 119.487 119.487 118.043 1.444 17705 4463 1 11 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.721 -0.320 17705 4464 1 11 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.580 -3.163 17705 4465 1 11 . 1 1 97 97 HIS H H 63 7.904 7.904 8.001 -0.097 17705 4466 1 11 . 1 1 98 98 ASP N N 64 119.624 119.624 120.112 -0.488 17705 4467 1 11 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.927 0.105 17705 4468 1 11 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.305 -3.067 17705 4469 1 11 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.652 -1.082 17705 4470 1 11 . 1 1 98 98 ASP H H 64 9.103 9.103 7.942 1.161 17705 4471 1 11 . 1 1 99 99 LYS N N 65 127.479 127.479 125.901 1.578 17705 4472 1 11 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.178 -0.318 17705 4473 1 11 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.771 -1.647 17705 4474 1 11 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.298 -2.013 17705 4475 1 11 . 1 1 99 99 LYS H H 65 8.743 8.743 8.849 -0.106 17705 4476 1 11 . 1 1 100 100 ARG N N 66 118.795 118.795 118.973 -0.178 17705 4477 1 11 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.450 -0.387 17705 4478 1 11 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.278 -2.218 17705 4479 1 11 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.514 -2.741 17705 4480 1 11 . 1 1 100 100 ARG H H 66 8.604 8.604 8.945 -0.341 17705 4481 1 11 . 1 1 101 101 ASP N N 67 119.686 119.686 119.545 0.141 17705 4482 1 11 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.647 -0.445 17705 4483 1 11 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.219 -3.001 17705 4484 1 11 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.543 -2.469 17705 4485 1 11 . 1 1 101 101 ASP H H 67 7.105 7.105 7.906 -0.801 17705 4486 1 11 . 1 1 102 102 ALA N N 68 119.709 119.709 122.999 -3.290 17705 4487 1 11 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.674 -0.848 17705 4488 1 11 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.884 -3.205 17705 4489 1 11 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.515 -2.925 17705 4490 1 11 . 1 1 102 102 ALA H H 68 6.848 6.848 8.046 -1.198 17705 4491 1 11 . 1 1 103 103 GLU N N 69 117.431 117.431 119.829 -2.398 17705 4492 1 11 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.887 -0.232 17705 4493 1 11 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.949 -2.780 17705 4494 1 11 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.544 -3.043 17705 4495 1 11 . 1 1 103 103 GLU H H 69 8.008 8.008 8.366 -0.358 17705 4496 1 11 . 1 1 104 104 ASP N N 70 120.512 120.512 119.157 1.355 17705 4497 1 11 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.390 -0.124 17705 4498 1 11 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.463 -2.946 17705 4499 1 11 . 1 1 104 104 ASP H H 70 8.022 8.022 7.691 0.331 17705 4500 1 11 . 1 1 105 105 ALA N N 71 122.325 122.325 121.858 0.467 17705 4501 1 11 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.551 0.234 17705 4502 1 11 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.410 -2.676 17705 4503 1 11 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.395 -1.247 17705 4504 1 11 . 1 1 105 105 ALA H H 71 8.109 8.109 7.345 0.764 17705 4505 1 11 . 1 1 106 106 MET N N 72 118.595 118.595 118.550 0.045 17705 4506 1 11 . 1 1 106 106 MET HA H 72 3.657 3.657 4.064 -0.407 17705 4507 1 11 . 1 1 106 106 MET CA C 72 57.163 57.163 58.749 -1.586 17705 4508 1 11 . 1 1 106 106 MET CB C 72 30.248 30.248 32.751 -2.503 17705 4509 1 11 . 1 1 106 106 MET H H 72 8.293 8.293 8.156 0.137 17705 4510 1 11 . 1 1 107 107 ASP N N 73 117.126 117.126 118.525 -1.399 17705 4511 1 11 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.431 -0.107 17705 4512 1 11 . 1 1 107 107 ASP CA C 73 54.048 54.048 56.032 -1.984 17705 4513 1 11 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.887 -2.539 17705 4514 1 11 . 1 1 107 107 ASP H H 73 7.784 7.784 8.095 -0.311 17705 4515 1 11 . 1 1 108 108 ALA N N 74 117.971 117.971 117.570 0.401 17705 4516 1 11 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.445 -0.334 17705 4517 1 11 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.209 -0.834 17705 4518 1 11 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.455 -2.802 17705 4519 1 11 . 1 1 108 108 ALA H H 74 7.366 7.366 7.406 -0.040 17705 4520 1 11 . 1 1 109 109 MET N N 75 112.248 112.248 115.015 -2.767 17705 4521 1 11 . 1 1 109 109 MET HA H 75 4.756 4.756 4.543 0.213 17705 4522 1 11 . 1 1 109 109 MET CA C 75 50.696 50.696 54.398 -3.702 17705 4523 1 11 . 1 1 109 109 MET H H 75 8.077 8.077 7.406 0.671 17705 4524 1 11 . 1 1 110 110 ASP N N 76 120.144 120.144 121.732 -1.588 17705 4525 1 11 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.414 -0.001 17705 4526 1 11 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.095 -1.165 17705 4527 1 11 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.797 -2.217 17705 4528 1 11 . 1 1 110 110 ASP H H 76 7.915 7.915 7.777 0.138 17705 4529 1 11 . 1 1 111 111 GLY N N 77 117.810 117.810 113.546 4.264 17705 4530 1 11 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.724 -2.877 17705 4531 1 11 . 1 1 111 111 GLY H H 77 8.680 8.680 8.540 0.140 17705 4532 1 11 . 1 1 112 112 ALA N N 78 123.748 123.748 122.425 1.323 17705 4533 1 11 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.319 0.008 17705 4534 1 11 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.543 -2.575 17705 4535 1 11 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.367 -1.888 17705 4536 1 11 . 1 1 112 112 ALA H H 78 7.918 7.918 7.585 0.333 17705 4537 1 11 . 1 1 113 113 VAL N N 79 118.622 118.622 117.679 0.943 17705 4538 1 11 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.823 0.817 17705 4539 1 11 . 1 1 113 113 VAL CB C 79 29.622 29.622 30.980 -1.358 17705 4540 1 11 . 1 1 113 113 VAL H H 79 8.091 8.091 7.971 0.120 17705 4541 1 11 . 1 1 114 114 LEU N N 80 129.451 129.451 119.841 9.610 17705 4542 1 11 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.403 0.142 17705 4543 1 11 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.368 -4.420 17705 4544 1 11 . 1 1 114 114 LEU CB C 80 42.680 42.680 40.834 1.846 17705 4545 1 11 . 1 1 114 114 LEU H H 80 8.875 8.875 8.242 0.633 17705 4546 1 11 . 1 1 115 115 ASP N N 81 129.610 129.610 119.204 10.406 17705 4547 1 11 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.640 -0.407 17705 4548 1 11 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.615 -2.340 17705 4549 1 11 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.732 -4.474 17705 4550 1 11 . 1 1 115 115 ASP H H 81 9.445 9.445 8.229 1.216 17705 4551 1 11 . 1 1 116 116 GLY N N 82 100.657 100.657 107.685 -7.028 17705 4552 1 11 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.134 -2.249 17705 4553 1 11 . 1 1 116 116 GLY H H 82 8.008 8.008 8.440 -0.432 17705 4554 1 11 . 1 1 117 117 ARG N N 83 120.179 120.179 117.702 2.477 17705 4555 1 11 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.512 0.034 17705 4556 1 11 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.773 -4.824 17705 4557 1 11 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.616 -1.048 17705 4558 1 11 . 1 1 117 117 ARG H H 83 7.499 7.499 7.870 -0.371 17705 4559 1 11 . 1 1 118 118 GLU N N 84 121.274 121.274 117.022 4.252 17705 4560 1 11 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.487 -0.168 17705 4561 1 11 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.200 -3.183 17705 4562 1 11 . 1 1 118 118 GLU CB C 84 27.189 27.189 31.062 -3.873 17705 4563 1 11 . 1 1 118 118 GLU H H 84 8.369 8.369 7.935 0.434 17705 4564 1 11 . 1 1 119 119 LEU N N 85 128.104 128.104 118.857 9.247 17705 4565 1 11 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.753 -0.203 17705 4566 1 11 . 1 1 119 119 LEU CA C 85 51.786 51.786 53.046 -1.260 17705 4567 1 11 . 1 1 119 119 LEU CB C 85 40.888 40.888 46.547 -5.659 17705 4568 1 11 . 1 1 119 119 LEU H H 85 9.356 9.356 8.519 0.837 17705 4569 1 11 . 1 1 120 120 ARG N N 86 121.349 121.349 119.923 1.426 17705 4570 1 11 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.126 0.028 17705 4571 1 11 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.926 -2.277 17705 4572 1 11 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.588 -4.013 17705 4573 1 11 . 1 1 120 120 ARG H H 86 7.677 7.677 8.494 -0.817 17705 4574 1 11 . 1 1 121 121 VAL N N 87 126.888 126.888 123.415 3.473 17705 4575 1 11 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.732 0.409 17705 4576 1 11 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.876 -2.351 17705 4577 1 11 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.944 -3.011 17705 4578 1 11 . 1 1 121 121 VAL H H 87 9.435 9.435 9.208 0.227 17705 4579 1 11 . 1 1 122 122 GLN N N 88 122.184 122.184 120.978 1.206 17705 4580 1 11 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.701 0.234 17705 4581 1 11 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.321 -2.331 17705 4582 1 11 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.524 -0.164 17705 4583 1 11 . 1 1 122 122 GLN H H 88 8.520 8.520 8.747 -0.227 17705 4584 1 11 . 1 1 123 123 MET N N 89 122.187 122.187 120.417 1.770 17705 4585 1 11 . 1 1 123 123 MET HA H 89 4.660 4.660 4.302 0.358 17705 4586 1 11 . 1 1 123 123 MET CB C 89 29.398 29.398 32.011 -2.613 17705 4587 1 11 . 1 1 123 123 MET H H 89 8.699 8.699 8.978 -0.279 17705 4588 1 11 . 1 1 124 124 ALA N N 90 127.406 127.406 125.766 1.640 17705 4589 1 11 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.177 0.272 17705 4590 1 11 . 1 1 124 124 ALA CA C 90 49.582 49.582 51.986 -2.404 17705 4591 1 11 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.990 -2.192 17705 4592 1 11 . 1 1 124 124 ALA H H 90 8.592 8.592 8.781 -0.189 17705 4593 1 11 . 1 1 125 125 ARG N N 91 119.981 119.981 113.932 6.049 17705 4594 1 11 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.809 0.510 17705 4595 1 11 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.344 -4.126 17705 4596 1 11 . 1 1 125 125 ARG CB C 91 28.634 28.634 28.164 0.470 17705 4597 1 11 . 1 1 125 125 ARG H H 91 8.299 8.299 8.287 0.012 17705 4598 1 11 . 1 1 126 126 TYR N N 92 121.757 121.757 116.736 5.021 17705 4599 1 11 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.721 -0.255 17705 4600 1 11 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.175 -1.085 17705 4601 1 11 . 1 1 126 126 TYR CB C 92 36.470 36.470 40.944 -4.474 17705 4602 1 11 . 1 1 126 126 TYR H H 92 8.182 8.182 7.411 0.771 17705 4603 1 11 . 1 1 127 127 GLY N N 93 110.707 110.707 107.189 3.518 17705 4604 1 11 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.460 -3.118 17705 4605 1 11 . 1 1 127 127 GLY H H 93 7.969 7.969 8.525 -0.556 17705 4606 1 11 . 1 1 128 128 ARG N N 94 121.504 121.504 122.814 -1.310 17705 4607 1 11 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.543 -0.078 17705 4608 1 11 . 1 1 128 128 ARG CA C 94 51.049 51.049 54.703 -3.654 17705 4609 1 11 . 1 1 128 128 ARG H H 94 7.930 7.930 8.099 -0.169 17705 4610 1 11 . 1 1 131 131 ASP N N 97 120.004 120.004 118.077 1.927 17705 4611 1 11 . 1 1 131 131 ASP H H 97 8.289 8.289 8.118 0.171 17705 4612 1 11 . 1 1 132 132 SER N N 98 115.594 115.594 114.926 0.668 17705 4613 1 11 . 1 1 132 132 SER HA H 98 4.348 4.348 4.181 0.167 17705 4614 1 11 . 1 1 132 132 SER CB C 98 61.181 61.181 62.704 -1.523 17705 4615 1 11 . 1 1 132 132 SER H H 98 8.128 8.128 8.749 -0.621 17705 4616 1 11 . 1 1 133 133 HIS CB C 99 27.069 27.069 32.184 -5.115 17705 4617 1 11 . 1 1 133 133 HIS H H 99 8.290 8.290 7.770 0.520 17705 4618 1 11 . 1 1 134 134 HIS N N 100 120.371 120.371 119.522 0.849 17705 4619 1 11 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.520 -4.470 17705 4620 1 11 . 1 1 134 134 HIS H H 100 7.251 7.251 7.560 -0.309 17705 4621 1 12 . 1 1 36 36 SER N N 2 116.240 116.240 118.388 -2.148 17705 4622 1 12 . 1 1 36 36 SER HA H 2 4.389 4.389 4.838 -0.449 17705 4623 1 12 . 1 1 36 36 SER CB C 2 61.141 61.141 64.451 -3.310 17705 4624 1 12 . 1 1 36 36 SER H H 2 8.111 8.111 8.336 -0.225 17705 4625 1 12 . 1 1 37 37 TYR N N 3 121.776 121.776 117.205 4.571 17705 4626 1 12 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.077 -0.532 17705 4627 1 12 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.267 -2.971 17705 4628 1 12 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.650 -3.537 17705 4629 1 12 . 1 1 37 37 TYR H H 3 8.062 8.062 8.800 -0.738 17705 4630 1 12 . 1 1 38 38 GLY N N 4 110.102 110.102 108.866 1.236 17705 4631 1 12 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.195 -1.617 17705 4632 1 12 . 1 1 38 38 GLY H H 4 8.221 8.221 7.329 0.892 17705 4633 1 12 . 1 1 39 39 ARG N N 5 121.307 121.307 120.240 1.067 17705 4634 1 12 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.708 -0.126 17705 4635 1 12 . 1 1 39 39 ARG CA C 5 51.020 51.020 54.196 -3.176 17705 4636 1 12 . 1 1 39 39 ARG CB C 5 27.731 27.731 31.497 -3.766 17705 4637 1 12 . 1 1 39 39 ARG H H 5 7.967 7.967 8.271 -0.304 17705 4638 1 12 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.502 -0.171 17705 4639 1 12 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.627 -2.108 17705 4640 1 12 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.702 -3.412 17705 4641 1 12 . 1 1 43 43 ASP N N 9 119.234 119.234 119.413 -0.179 17705 4642 1 12 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.566 -0.024 17705 4643 1 12 . 1 1 43 43 ASP CB C 9 38.419 38.419 40.953 -2.534 17705 4644 1 12 . 1 1 43 43 ASP H H 9 8.260 8.260 8.646 -0.386 17705 4645 1 12 . 1 1 44 44 VAL N N 10 119.005 119.005 113.126 5.879 17705 4646 1 12 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.710 0.321 17705 4647 1 12 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.484 -3.416 17705 4648 1 12 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.824 -0.976 17705 4649 1 12 . 1 1 44 44 VAL H H 10 7.903 7.903 7.733 0.170 17705 4650 1 12 . 1 1 45 45 GLU N N 11 122.556 122.556 119.721 2.835 17705 4651 1 12 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.318 -0.186 17705 4652 1 12 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.786 -3.029 17705 4653 1 12 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.299 -2.088 17705 4654 1 12 . 1 1 45 45 GLU H H 11 8.304 8.304 8.803 -0.499 17705 4655 1 12 . 1 1 46 46 GLY N N 12 108.250 108.250 106.207 2.043 17705 4656 1 12 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.902 -2.130 17705 4657 1 12 . 1 1 46 46 GLY H H 12 8.187 8.187 8.004 0.183 17705 4658 1 12 . 1 1 47 47 MET N N 13 118.678 118.678 116.961 1.717 17705 4659 1 12 . 1 1 47 47 MET HA H 13 4.606 4.606 5.195 -0.589 17705 4660 1 12 . 1 1 47 47 MET CB C 13 30.713 30.713 36.431 -5.718 17705 4661 1 12 . 1 1 47 47 MET H H 13 7.798 7.798 7.612 0.186 17705 4662 1 12 . 1 1 48 48 THR N N 14 116.971 116.971 114.989 1.982 17705 4663 1 12 . 1 1 48 48 THR HA H 14 4.469 4.469 4.843 -0.374 17705 4664 1 12 . 1 1 48 48 THR CA C 14 60.072 60.072 61.589 -1.517 17705 4665 1 12 . 1 1 48 48 THR CB C 14 67.533 67.533 71.841 -4.308 17705 4666 1 12 . 1 1 48 48 THR H H 14 8.693 8.693 8.198 0.495 17705 4667 1 12 . 1 1 49 49 SER N N 15 121.549 121.549 114.656 6.893 17705 4668 1 12 . 1 1 49 49 SER HA H 15 5.369 5.369 4.772 0.597 17705 4669 1 12 . 1 1 49 49 SER CA C 15 55.530 55.530 58.943 -3.413 17705 4670 1 12 . 1 1 49 49 SER CB C 15 62.465 62.465 63.780 -1.315 17705 4671 1 12 . 1 1 49 49 SER H H 15 8.813 8.813 8.752 0.061 17705 4672 1 12 . 1 1 50 50 LEU N N 16 122.760 122.760 124.444 -1.684 17705 4673 1 12 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.584 0.531 17705 4674 1 12 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.846 -3.649 17705 4675 1 12 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.956 -3.335 17705 4676 1 12 . 1 1 50 50 LEU H H 16 9.287 9.287 8.408 0.879 17705 4677 1 12 . 1 1 51 51 LYS N N 17 123.384 123.384 123.206 0.178 17705 4678 1 12 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.297 -0.503 17705 4679 1 12 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.254 -1.673 17705 4680 1 12 . 1 1 51 51 LYS CB C 17 32.253 32.253 36.207 -3.954 17705 4681 1 12 . 1 1 51 51 LYS H H 17 9.240 9.240 8.965 0.275 17705 4682 1 12 . 1 1 52 52 VAL N N 18 129.496 129.496 124.556 4.940 17705 4683 1 12 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.690 0.075 17705 4684 1 12 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.378 -2.148 17705 4685 1 12 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.591 -4.838 17705 4686 1 12 . 1 1 52 52 VAL H H 18 9.194 9.194 7.898 1.296 17705 4687 1 12 . 1 1 53 53 ASP N N 19 126.148 126.148 123.737 2.411 17705 4688 1 12 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.118 0.180 17705 4689 1 12 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.389 -2.326 17705 4690 1 12 . 1 1 53 53 ASP CB C 19 42.733 42.733 45.015 -2.282 17705 4691 1 12 . 1 1 53 53 ASP H H 19 9.382 9.382 8.890 0.492 17705 4692 1 12 . 1 1 54 54 ASN N N 20 113.840 113.840 117.089 -3.249 17705 4693 1 12 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.608 -0.150 17705 4694 1 12 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.216 -3.089 17705 4695 1 12 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.061 -3.011 17705 4696 1 12 . 1 1 54 54 ASN H H 20 8.736 8.736 8.695 0.041 17705 4697 1 12 . 1 1 55 55 LEU N N 21 115.267 115.267 122.495 -7.228 17705 4698 1 12 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.668 -0.279 17705 4699 1 12 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.450 -2.281 17705 4700 1 12 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.453 -4.278 17705 4701 1 12 . 1 1 55 55 LEU H H 21 7.661 7.661 8.478 -0.817 17705 4702 1 12 . 1 1 56 56 THR N N 22 111.721 111.721 113.846 -2.125 17705 4703 1 12 . 1 1 56 56 THR CB C 22 68.066 68.066 69.307 -1.241 17705 4704 1 12 . 1 1 56 56 THR H H 22 8.377 8.377 8.241 0.136 17705 4705 1 12 . 1 1 57 57 TYR N N 23 122.454 122.454 118.696 3.758 17705 4706 1 12 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.120 0.188 17705 4707 1 12 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.799 -3.222 17705 4708 1 12 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.212 -1.819 17705 4709 1 12 . 1 1 57 57 TYR H H 23 8.601 8.601 8.344 0.257 17705 4710 1 12 . 1 1 58 58 ARG N N 24 114.958 114.958 117.145 -2.187 17705 4711 1 12 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.203 0.011 17705 4712 1 12 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.801 -2.530 17705 4713 1 12 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.664 -3.276 17705 4714 1 12 . 1 1 58 58 ARG H H 24 7.366 7.366 7.645 -0.279 17705 4715 1 12 . 1 1 59 59 THR N N 25 119.016 119.016 115.957 3.059 17705 4716 1 12 . 1 1 59 59 THR HA H 25 4.037 4.037 4.058 -0.021 17705 4717 1 12 . 1 1 59 59 THR CA C 25 62.031 62.031 64.810 -2.779 17705 4718 1 12 . 1 1 59 59 THR CB C 25 65.705 65.705 68.939 -3.235 17705 4719 1 12 . 1 1 59 59 THR H H 25 7.356 7.356 8.142 -0.786 17705 4720 1 12 . 1 1 60 60 SER N N 26 124.554 124.554 112.971 11.583 17705 4721 1 12 . 1 1 60 60 SER HA H 26 4.834 4.834 4.194 0.640 17705 4722 1 12 . 1 1 60 60 SER CA C 26 52.978 52.978 59.103 -6.125 17705 4723 1 12 . 1 1 60 60 SER CB C 26 61.637 61.637 63.088 -1.451 17705 4724 1 12 . 1 1 60 60 SER H H 26 8.404 8.404 7.929 0.475 17705 4725 1 12 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.312 -0.271 17705 4726 1 12 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.403 -2.326 17705 4727 1 12 . 1 1 62 62 ASP N N 28 115.821 115.821 117.304 -1.483 17705 4728 1 12 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.506 -0.133 17705 4729 1 12 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.391 -2.810 17705 4730 1 12 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.415 -2.200 17705 4731 1 12 . 1 1 62 62 ASP H H 28 8.022 8.022 8.592 -0.570 17705 4732 1 12 . 1 1 63 63 THR N N 29 118.403 118.403 116.710 1.693 17705 4733 1 12 . 1 1 63 63 THR HA H 29 3.898 3.898 4.111 -0.213 17705 4734 1 12 . 1 1 63 63 THR CA C 29 63.704 63.704 66.623 -2.919 17705 4735 1 12 . 1 1 63 63 THR CB C 29 65.555 65.555 68.727 -3.172 17705 4736 1 12 . 1 1 63 63 THR H H 29 7.791 7.791 7.569 0.222 17705 4737 1 12 . 1 1 64 64 LEU N N 30 119.247 119.247 121.271 -2.024 17705 4738 1 12 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.176 -0.138 17705 4739 1 12 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.816 -2.716 17705 4740 1 12 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.560 -1.758 17705 4741 1 12 . 1 1 64 64 LEU H H 30 7.607 7.607 7.658 -0.051 17705 4742 1 12 . 1 1 65 65 ARG N N 31 118.798 118.798 119.340 -0.542 17705 4743 1 12 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.093 -0.453 17705 4744 1 12 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.016 -0.701 17705 4745 1 12 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.822 -2.268 17705 4746 1 12 . 1 1 65 65 ARG H H 31 8.547 8.547 8.039 0.508 17705 4747 1 12 . 1 1 66 66 ARG N N 32 116.038 116.038 117.667 -1.629 17705 4748 1 12 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.310 -0.248 17705 4749 1 12 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.514 -1.828 17705 4750 1 12 . 1 1 66 66 ARG H H 32 7.732 7.732 7.682 0.050 17705 4751 1 12 . 1 1 67 67 VAL N N 33 115.825 115.825 118.234 -2.409 17705 4752 1 12 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.897 -0.053 17705 4753 1 12 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.723 -1.993 17705 4754 1 12 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.305 -2.815 17705 4755 1 12 . 1 1 67 67 VAL H H 33 7.837 7.837 7.708 0.129 17705 4756 1 12 . 1 1 68 68 PHE N N 34 116.175 116.175 116.398 -0.223 17705 4757 1 12 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.894 -0.397 17705 4758 1 12 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.562 0.692 17705 4759 1 12 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.206 -4.946 17705 4760 1 12 . 1 1 68 68 PHE H H 34 8.194 8.194 7.671 0.523 17705 4761 1 12 . 1 1 69 69 GLU N N 35 119.377 119.377 121.231 -1.854 17705 4762 1 12 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.212 0.837 17705 4763 1 12 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.950 -4.039 17705 4764 1 12 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.820 -2.598 17705 4765 1 12 . 1 1 69 69 GLU H H 35 8.669 8.669 8.876 -0.207 17705 4766 1 12 . 1 1 70 70 LYS N N 36 118.371 118.371 118.725 -0.354 17705 4767 1 12 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.031 -0.159 17705 4768 1 12 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.362 -2.883 17705 4769 1 12 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.481 -2.261 17705 4770 1 12 . 1 1 70 70 LYS H H 36 6.866 6.866 8.247 -1.381 17705 4771 1 12 . 1 1 71 71 TYR N N 37 115.053 115.053 118.123 -3.070 17705 4772 1 12 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.338 -0.025 17705 4773 1 12 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.779 -3.648 17705 4774 1 12 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.054 -2.292 17705 4775 1 12 . 1 1 71 71 TYR H H 37 7.637 7.637 7.807 -0.170 17705 4776 1 12 . 1 1 72 72 GLY N N 38 104.732 104.732 105.757 -1.025 17705 4777 1 12 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.311 -3.618 17705 4778 1 12 . 1 1 72 72 GLY H H 38 7.353 7.353 7.964 -0.611 17705 4779 1 12 . 1 1 73 73 ARG N N 39 115.823 115.823 119.143 -3.320 17705 4780 1 12 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.459 -0.133 17705 4781 1 12 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.150 -0.586 17705 4782 1 12 . 1 1 73 73 ARG CB C 39 27.851 27.851 32.951 -5.100 17705 4783 1 12 . 1 1 73 73 ARG H H 39 7.975 7.975 8.105 -0.130 17705 4784 1 12 . 1 1 74 74 VAL N N 40 129.287 129.287 119.994 9.293 17705 4785 1 12 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.436 0.255 17705 4786 1 12 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.993 -1.716 17705 4787 1 12 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.535 -2.817 17705 4788 1 12 . 1 1 74 74 VAL H H 40 8.826 8.826 8.389 0.437 17705 4789 1 12 . 1 1 75 75 GLY N N 41 115.247 115.247 115.132 0.115 17705 4790 1 12 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.987 -2.777 17705 4791 1 12 . 1 1 75 75 GLY H H 41 9.023 9.023 8.061 0.962 17705 4792 1 12 . 1 1 76 76 ASP N N 42 117.313 117.313 118.739 -1.426 17705 4793 1 12 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.809 -0.162 17705 4794 1 12 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.517 -2.936 17705 4795 1 12 . 1 1 76 76 ASP H H 42 7.375 7.375 8.128 -0.753 17705 4796 1 12 . 1 1 77 77 VAL N N 43 121.209 121.209 122.868 -1.659 17705 4797 1 12 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.300 0.343 17705 4798 1 12 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.855 -1.813 17705 4799 1 12 . 1 1 77 77 VAL H H 43 7.799 7.799 8.463 -0.664 17705 4800 1 12 . 1 1 78 78 TYR N N 44 127.478 127.478 126.199 1.279 17705 4801 1 12 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.793 0.261 17705 4802 1 12 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.479 -3.586 17705 4803 1 12 . 1 1 78 78 TYR CB C 44 38.774 38.774 40.926 -2.152 17705 4804 1 12 . 1 1 78 78 TYR H H 44 9.056 9.056 8.036 1.020 17705 4805 1 12 . 1 1 79 79 ILE N N 45 128.848 128.848 119.884 8.964 17705 4806 1 12 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.303 0.094 17705 4807 1 12 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.169 -1.514 17705 4808 1 12 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.921 -3.551 17705 4809 1 12 . 1 1 79 79 ILE H H 45 8.484 8.484 8.483 0.001 17705 4810 1 12 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.687 -0.628 17705 4811 1 12 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.649 -2.888 17705 4812 1 12 . 1 1 81 81 ARG N N 47 119.796 119.796 119.826 -0.030 17705 4813 1 12 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.179 0.257 17705 4814 1 12 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.645 -0.671 17705 4815 1 12 . 1 1 81 81 ARG H H 47 8.131 8.131 8.012 0.119 17705 4816 1 12 . 1 1 82 82 ASP N N 48 122.427 122.427 119.564 2.863 17705 4817 1 12 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.337 0.100 17705 4818 1 12 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.768 -3.120 17705 4819 1 12 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.703 -1.349 17705 4820 1 12 . 1 1 82 82 ASP H H 48 8.511 8.511 8.404 0.107 17705 4821 1 12 . 1 1 83 83 ARG N N 49 124.150 124.150 117.734 6.416 17705 4822 1 12 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.374 -0.375 17705 4823 1 12 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.781 -4.123 17705 4824 1 12 . 1 1 83 83 ARG H H 49 8.546 8.546 8.378 0.168 17705 4825 1 12 . 1 1 84 84 TYR N N 50 118.236 118.236 114.637 3.599 17705 4826 1 12 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.013 -0.360 17705 4827 1 12 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.914 -2.982 17705 4828 1 12 . 1 1 84 84 TYR H H 50 8.376 8.376 7.390 0.986 17705 4829 1 12 . 1 1 85 85 THR N N 51 111.445 111.445 115.526 -4.081 17705 4830 1 12 . 1 1 85 85 THR HA H 51 4.306 4.306 4.608 -0.302 17705 4831 1 12 . 1 1 85 85 THR CA C 51 59.280 59.280 60.535 -1.255 17705 4832 1 12 . 1 1 85 85 THR CB C 51 67.748 67.748 70.794 -3.046 17705 4833 1 12 . 1 1 85 85 THR H H 51 8.790 8.790 8.302 0.488 17705 4834 1 12 . 1 1 86 86 LYS N N 52 115.778 115.778 118.452 -2.674 17705 4835 1 12 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.592 -0.606 17705 4836 1 12 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.910 -0.720 17705 4837 1 12 . 1 1 86 86 LYS H H 52 7.947 7.947 8.451 -0.504 17705 4838 1 12 . 1 1 87 87 GLU N N 53 118.931 118.931 117.259 1.672 17705 4839 1 12 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.733 -0.411 17705 4840 1 12 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.180 -3.819 17705 4841 1 12 . 1 1 87 87 GLU H H 53 7.881 7.881 7.696 0.185 17705 4842 1 12 . 1 1 88 88 SER N N 54 116.268 116.268 114.271 1.997 17705 4843 1 12 . 1 1 88 88 SER HA H 54 4.324 4.324 4.718 -0.394 17705 4844 1 12 . 1 1 88 88 SER CA C 54 55.543 55.543 57.009 -1.466 17705 4845 1 12 . 1 1 88 88 SER CB C 54 61.291 61.291 65.099 -3.808 17705 4846 1 12 . 1 1 88 88 SER H H 54 8.472 8.472 8.545 -0.073 17705 4847 1 12 . 1 1 89 89 ARG N N 55 121.084 121.084 121.650 -0.566 17705 4848 1 12 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.585 -0.252 17705 4849 1 12 . 1 1 89 89 ARG CB C 55 28.239 28.239 31.443 -3.204 17705 4850 1 12 . 1 1 89 89 ARG H H 55 8.121 8.121 8.419 -0.298 17705 4851 1 12 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.895 -1.700 17705 4852 1 12 . 1 1 90 90 GLY H H 56 8.334 8.334 8.926 -0.592 17705 4853 1 12 . 1 1 91 91 PHE N N 57 113.361 113.361 115.184 -1.823 17705 4854 1 12 . 1 1 91 91 PHE HA H 57 5.663 5.663 4.946 0.717 17705 4855 1 12 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.178 -3.294 17705 4856 1 12 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.565 -1.105 17705 4857 1 12 . 1 1 91 91 PHE H H 57 6.980 6.980 7.531 -0.551 17705 4858 1 12 . 1 1 92 92 ALA N N 58 118.350 118.350 122.830 -4.480 17705 4859 1 12 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.598 0.218 17705 4860 1 12 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.765 -3.596 17705 4861 1 12 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.497 1.784 17705 4862 1 12 . 1 1 92 92 ALA H H 58 8.854 8.854 8.077 0.777 17705 4863 1 12 . 1 1 93 93 PHE N N 59 116.210 116.210 118.896 -2.686 17705 4864 1 12 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.642 1.149 17705 4865 1 12 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.782 -3.043 17705 4866 1 12 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.027 -2.101 17705 4867 1 12 . 1 1 93 93 PHE H H 59 9.011 9.011 8.077 0.934 17705 4868 1 12 . 1 1 94 94 VAL N N 60 123.082 123.082 121.886 1.196 17705 4869 1 12 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.324 0.023 17705 4870 1 12 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.916 -3.220 17705 4871 1 12 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.601 -1.008 17705 4872 1 12 . 1 1 94 94 VAL H H 60 8.878 8.878 7.569 1.309 17705 4873 1 12 . 1 1 95 95 ARG N N 61 125.689 125.689 127.011 -1.322 17705 4874 1 12 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.161 0.071 17705 4875 1 12 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.313 -2.128 17705 4876 1 12 . 1 1 95 95 ARG H H 61 8.649 8.649 8.958 -0.309 17705 4877 1 12 . 1 1 96 96 PHE N N 62 123.552 123.552 123.383 0.169 17705 4878 1 12 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.688 0.141 17705 4879 1 12 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.496 -0.497 17705 4880 1 12 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.656 -2.173 17705 4881 1 12 . 1 1 96 96 PHE H H 62 9.152 9.152 8.488 0.664 17705 4882 1 12 . 1 1 97 97 HIS N N 63 119.487 119.487 118.193 1.294 17705 4883 1 12 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.695 -0.294 17705 4884 1 12 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.514 -3.097 17705 4885 1 12 . 1 1 97 97 HIS H H 63 7.904 7.904 8.002 -0.098 17705 4886 1 12 . 1 1 98 98 ASP N N 64 119.624 119.624 120.064 -0.440 17705 4887 1 12 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.912 0.120 17705 4888 1 12 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.375 -3.137 17705 4889 1 12 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.773 -1.203 17705 4890 1 12 . 1 1 98 98 ASP H H 64 9.103 9.103 7.969 1.134 17705 4891 1 12 . 1 1 99 99 LYS N N 65 127.479 127.479 125.857 1.622 17705 4892 1 12 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.091 -0.231 17705 4893 1 12 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.652 -1.528 17705 4894 1 12 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.328 -2.043 17705 4895 1 12 . 1 1 99 99 LYS H H 65 8.743 8.743 8.834 -0.091 17705 4896 1 12 . 1 1 100 100 ARG N N 66 118.795 118.795 119.109 -0.314 17705 4897 1 12 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.375 -0.312 17705 4898 1 12 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.575 -2.515 17705 4899 1 12 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.545 -2.772 17705 4900 1 12 . 1 1 100 100 ARG H H 66 8.604 8.604 8.958 -0.354 17705 4901 1 12 . 1 1 101 101 ASP N N 67 119.686 119.686 119.176 0.510 17705 4902 1 12 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.653 -0.451 17705 4903 1 12 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.239 -3.021 17705 4904 1 12 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.638 -2.564 17705 4905 1 12 . 1 1 101 101 ASP H H 67 7.105 7.105 7.912 -0.807 17705 4906 1 12 . 1 1 102 102 ALA N N 68 119.709 119.709 123.198 -3.489 17705 4907 1 12 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.640 -0.814 17705 4908 1 12 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.861 -3.182 17705 4909 1 12 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.518 -2.928 17705 4910 1 12 . 1 1 102 102 ALA H H 68 6.848 6.848 7.941 -1.093 17705 4911 1 12 . 1 1 103 103 GLU N N 69 117.431 117.431 119.835 -2.404 17705 4912 1 12 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.885 -0.230 17705 4913 1 12 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.966 -2.797 17705 4914 1 12 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.549 -3.049 17705 4915 1 12 . 1 1 103 103 GLU H H 69 8.008 8.008 8.380 -0.372 17705 4916 1 12 . 1 1 104 104 ASP N N 70 120.512 120.512 119.160 1.352 17705 4917 1 12 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.401 -0.135 17705 4918 1 12 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.435 -2.918 17705 4919 1 12 . 1 1 104 104 ASP H H 70 8.022 8.022 7.720 0.302 17705 4920 1 12 . 1 1 105 105 ALA N N 71 122.325 122.325 121.935 0.390 17705 4921 1 12 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.573 0.212 17705 4922 1 12 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.403 -2.669 17705 4923 1 12 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.349 -1.201 17705 4924 1 12 . 1 1 105 105 ALA H H 71 8.109 8.109 7.360 0.749 17705 4925 1 12 . 1 1 106 106 MET N N 72 118.595 118.595 118.517 0.078 17705 4926 1 12 . 1 1 106 106 MET HA H 72 3.657 3.657 4.083 -0.426 17705 4927 1 12 . 1 1 106 106 MET CA C 72 57.163 57.163 58.701 -1.538 17705 4928 1 12 . 1 1 106 106 MET CB C 72 30.248 30.248 32.791 -2.542 17705 4929 1 12 . 1 1 106 106 MET H H 72 8.293 8.293 8.164 0.129 17705 4930 1 12 . 1 1 107 107 ASP N N 73 117.126 117.126 119.989 -2.863 17705 4931 1 12 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.446 -0.122 17705 4932 1 12 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.925 -1.877 17705 4933 1 12 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.837 -2.489 17705 4934 1 12 . 1 1 107 107 ASP H H 73 7.784 7.784 8.171 -0.387 17705 4935 1 12 . 1 1 108 108 ALA N N 74 117.971 117.971 117.561 0.410 17705 4936 1 12 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.444 -0.333 17705 4937 1 12 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.269 -0.895 17705 4938 1 12 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.458 -2.805 17705 4939 1 12 . 1 1 108 108 ALA H H 74 7.366 7.366 7.307 0.059 17705 4940 1 12 . 1 1 109 109 MET N N 75 112.248 112.248 114.821 -2.573 17705 4941 1 12 . 1 1 109 109 MET HA H 75 4.756 4.756 4.538 0.218 17705 4942 1 12 . 1 1 109 109 MET CA C 75 50.696 50.696 54.412 -3.716 17705 4943 1 12 . 1 1 109 109 MET H H 75 8.077 8.077 7.427 0.650 17705 4944 1 12 . 1 1 110 110 ASP N N 76 120.144 120.144 121.890 -1.746 17705 4945 1 12 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.484 -0.071 17705 4946 1 12 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.784 -0.854 17705 4947 1 12 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.488 -1.908 17705 4948 1 12 . 1 1 110 110 ASP H H 76 7.915 7.915 7.936 -0.021 17705 4949 1 12 . 1 1 111 111 GLY N N 77 117.810 117.810 114.306 3.504 17705 4950 1 12 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.556 -2.708 17705 4951 1 12 . 1 1 111 111 GLY H H 77 8.680 8.680 8.502 0.178 17705 4952 1 12 . 1 1 112 112 ALA N N 78 123.748 123.748 121.642 2.106 17705 4953 1 12 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.360 -0.033 17705 4954 1 12 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.330 -2.362 17705 4955 1 12 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.384 -1.905 17705 4956 1 12 . 1 1 112 112 ALA H H 78 7.918 7.918 7.682 0.236 17705 4957 1 12 . 1 1 113 113 VAL N N 79 118.622 118.622 117.747 0.875 17705 4958 1 12 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.825 0.815 17705 4959 1 12 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.649 -2.027 17705 4960 1 12 . 1 1 113 113 VAL H H 79 8.091 8.091 7.936 0.155 17705 4961 1 12 . 1 1 114 114 LEU N N 80 129.451 129.451 119.777 9.674 17705 4962 1 12 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.298 0.247 17705 4963 1 12 . 1 1 114 114 LEU CA C 80 51.948 51.948 55.998 -4.050 17705 4964 1 12 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.205 1.476 17705 4965 1 12 . 1 1 114 114 LEU H H 80 8.875 8.875 8.322 0.553 17705 4966 1 12 . 1 1 115 115 ASP N N 81 129.610 129.610 117.934 11.676 17705 4967 1 12 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.773 -0.540 17705 4968 1 12 . 1 1 115 115 ASP CA C 81 52.275 52.275 53.747 -1.472 17705 4969 1 12 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.244 -4.986 17705 4970 1 12 . 1 1 115 115 ASP H H 81 9.445 9.445 8.005 1.440 17705 4971 1 12 . 1 1 116 116 GLY N N 82 100.657 100.657 107.378 -6.721 17705 4972 1 12 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.111 -2.226 17705 4973 1 12 . 1 1 116 116 GLY H H 82 8.008 8.008 8.269 -0.261 17705 4974 1 12 . 1 1 117 117 ARG N N 83 120.179 120.179 118.431 1.748 17705 4975 1 12 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.648 -0.102 17705 4976 1 12 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.040 -5.092 17705 4977 1 12 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.733 -1.165 17705 4978 1 12 . 1 1 117 117 ARG H H 83 7.499 7.499 8.219 -0.720 17705 4979 1 12 . 1 1 118 118 GLU N N 84 121.274 121.274 120.272 1.002 17705 4980 1 12 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.233 0.086 17705 4981 1 12 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.312 -3.295 17705 4982 1 12 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.292 -2.103 17705 4983 1 12 . 1 1 118 118 GLU H H 84 8.369 8.369 8.093 0.276 17705 4984 1 12 . 1 1 119 119 LEU N N 85 128.104 128.104 123.134 4.970 17705 4985 1 12 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.150 0.400 17705 4986 1 12 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.921 -5.135 17705 4987 1 12 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.709 -1.821 17705 4988 1 12 . 1 1 119 119 LEU H H 85 9.356 9.356 8.319 1.037 17705 4989 1 12 . 1 1 120 120 ARG N N 86 121.349 121.349 121.107 0.242 17705 4990 1 12 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.065 0.089 17705 4991 1 12 . 1 1 120 120 ARG CA C 86 51.649 51.649 54.036 -2.387 17705 4992 1 12 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.457 -3.882 17705 4993 1 12 . 1 1 120 120 ARG H H 86 7.677 7.677 8.078 -0.401 17705 4994 1 12 . 1 1 121 121 VAL N N 87 126.888 126.888 122.419 4.469 17705 4995 1 12 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.809 0.332 17705 4996 1 12 . 1 1 121 121 VAL CA C 87 58.525 58.525 61.032 -2.507 17705 4997 1 12 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.326 -3.393 17705 4998 1 12 . 1 1 121 121 VAL H H 87 9.435 9.435 8.845 0.590 17705 4999 1 12 . 1 1 122 122 GLN N N 88 122.184 122.184 121.683 0.501 17705 5000 1 12 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.749 0.186 17705 5001 1 12 . 1 1 122 122 GLN CA C 88 50.990 50.990 54.174 -3.184 17705 5002 1 12 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.102 -0.742 17705 5003 1 12 . 1 1 122 122 GLN H H 88 8.520 8.520 8.871 -0.351 17705 5004 1 12 . 1 1 123 123 MET N N 89 122.187 122.187 119.919 2.268 17705 5005 1 12 . 1 1 123 123 MET HA H 89 4.660 4.660 4.338 0.322 17705 5006 1 12 . 1 1 123 123 MET CB C 89 29.398 29.398 32.559 -3.161 17705 5007 1 12 . 1 1 123 123 MET H H 89 8.699 8.699 9.038 -0.339 17705 5008 1 12 . 1 1 124 124 ALA N N 90 127.406 127.406 122.365 5.041 17705 5009 1 12 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.704 -0.255 17705 5010 1 12 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.008 -2.426 17705 5011 1 12 . 1 1 124 124 ALA CB C 90 17.798 17.798 21.047 -3.249 17705 5012 1 12 . 1 1 124 124 ALA H H 90 8.592 8.592 9.135 -0.543 17705 5013 1 12 . 1 1 125 125 ARG N N 91 119.981 119.981 115.315 4.666 17705 5014 1 12 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.997 0.322 17705 5015 1 12 . 1 1 125 125 ARG CA C 91 53.218 53.218 56.866 -3.648 17705 5016 1 12 . 1 1 125 125 ARG CB C 91 28.634 28.634 26.923 1.711 17705 5017 1 12 . 1 1 125 125 ARG H H 91 8.299 8.299 7.733 0.566 17705 5018 1 12 . 1 1 126 126 TYR N N 92 121.757 121.757 116.771 4.986 17705 5019 1 12 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.392 0.074 17705 5020 1 12 . 1 1 126 126 TYR CA C 92 55.090 55.090 59.494 -4.404 17705 5021 1 12 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.462 -1.992 17705 5022 1 12 . 1 1 126 126 TYR H H 92 8.182 8.182 8.181 0.001 17705 5023 1 12 . 1 1 127 127 GLY N N 93 110.707 110.707 105.281 5.426 17705 5024 1 12 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.007 -1.665 17705 5025 1 12 . 1 1 127 127 GLY H H 93 7.969 7.969 7.942 0.027 17705 5026 1 12 . 1 1 128 128 ARG N N 94 121.504 121.504 118.949 2.555 17705 5027 1 12 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.542 -0.077 17705 5028 1 12 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.168 -2.119 17705 5029 1 12 . 1 1 128 128 ARG H H 94 7.930 7.930 8.297 -0.367 17705 5030 1 12 . 1 1 131 131 ASP N N 97 120.004 120.004 119.875 0.129 17705 5031 1 12 . 1 1 131 131 ASP H H 97 8.289 8.289 8.565 -0.276 17705 5032 1 12 . 1 1 132 132 SER N N 98 115.594 115.594 111.557 4.037 17705 5033 1 12 . 1 1 132 132 SER HA H 98 4.348 4.348 4.408 -0.060 17705 5034 1 12 . 1 1 132 132 SER CB C 98 61.181 61.181 63.548 -2.368 17705 5035 1 12 . 1 1 132 132 SER H H 98 8.128 8.128 8.161 -0.033 17705 5036 1 12 . 1 1 133 133 HIS CB C 99 27.069 27.069 32.192 -5.123 17705 5037 1 12 . 1 1 133 133 HIS H H 99 8.290 8.290 8.010 0.280 17705 5038 1 12 . 1 1 134 134 HIS N N 100 120.371 120.371 117.692 2.679 17705 5039 1 12 . 1 1 134 134 HIS CB C 100 27.050 27.050 32.898 -5.848 17705 5040 1 12 . 1 1 134 134 HIS H H 100 7.251 7.251 7.720 -0.469 17705 5041 1 13 . 1 1 36 36 SER N N 2 116.240 116.240 120.397 -4.157 17705 5042 1 13 . 1 1 36 36 SER HA H 2 4.389 4.389 4.867 -0.478 17705 5043 1 13 . 1 1 36 36 SER CB C 2 61.141 61.141 64.564 -3.423 17705 5044 1 13 . 1 1 36 36 SER H H 2 8.111 8.111 8.488 -0.377 17705 5045 1 13 . 1 1 37 37 TYR N N 3 121.776 121.776 117.198 4.578 17705 5046 1 13 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.752 -0.207 17705 5047 1 13 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.193 -2.898 17705 5048 1 13 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.532 -3.418 17705 5049 1 13 . 1 1 37 37 TYR H H 3 8.062 8.062 8.003 0.059 17705 5050 1 13 . 1 1 38 38 GLY N N 4 110.102 110.102 108.955 1.147 17705 5051 1 13 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.695 -2.117 17705 5052 1 13 . 1 1 38 38 GLY H H 4 8.221 8.221 7.345 0.876 17705 5053 1 13 . 1 1 39 39 ARG N N 5 121.307 121.307 120.306 1.001 17705 5054 1 13 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.764 -0.182 17705 5055 1 13 . 1 1 39 39 ARG CA C 5 51.020 51.020 53.997 -2.977 17705 5056 1 13 . 1 1 39 39 ARG CB C 5 27.731 27.731 32.222 -4.491 17705 5057 1 13 . 1 1 39 39 ARG H H 5 7.967 7.967 8.477 -0.510 17705 5058 1 13 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.370 -0.039 17705 5059 1 13 . 1 1 42 42 PRO CA C 8 60.519 60.519 64.680 -4.162 17705 5060 1 13 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.071 -2.781 17705 5061 1 13 . 1 1 43 43 ASP N N 9 119.234 119.234 115.759 3.475 17705 5062 1 13 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.610 -0.068 17705 5063 1 13 . 1 1 43 43 ASP CB C 9 38.419 38.419 40.648 -2.229 17705 5064 1 13 . 1 1 43 43 ASP H H 9 8.260 8.260 8.243 0.017 17705 5065 1 13 . 1 1 44 44 VAL N N 10 119.005 119.005 116.229 2.776 17705 5066 1 13 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.915 0.116 17705 5067 1 13 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.404 -3.336 17705 5068 1 13 . 1 1 44 44 VAL CB C 10 29.848 29.848 31.265 -1.417 17705 5069 1 13 . 1 1 44 44 VAL H H 10 7.903 7.903 7.745 0.158 17705 5070 1 13 . 1 1 45 45 GLU N N 11 122.556 122.556 120.929 1.627 17705 5071 1 13 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.179 -0.047 17705 5072 1 13 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.508 -2.750 17705 5073 1 13 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.673 -1.463 17705 5074 1 13 . 1 1 45 45 GLU H H 11 8.304 8.304 8.603 -0.299 17705 5075 1 13 . 1 1 46 46 GLY N N 12 108.250 108.250 107.026 1.224 17705 5076 1 13 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.971 -2.199 17705 5077 1 13 . 1 1 46 46 GLY H H 12 8.187 8.187 8.044 0.143 17705 5078 1 13 . 1 1 47 47 MET N N 13 118.678 118.678 118.349 0.329 17705 5079 1 13 . 1 1 47 47 MET HA H 13 4.606 4.606 4.871 -0.265 17705 5080 1 13 . 1 1 47 47 MET CB C 13 30.713 30.713 36.549 -5.836 17705 5081 1 13 . 1 1 47 47 MET H H 13 7.798 7.798 7.497 0.301 17705 5082 1 13 . 1 1 48 48 THR N N 14 116.971 116.971 114.745 2.226 17705 5083 1 13 . 1 1 48 48 THR HA H 14 4.469 4.469 4.672 -0.203 17705 5084 1 13 . 1 1 48 48 THR CA C 14 60.072 60.072 62.924 -2.852 17705 5085 1 13 . 1 1 48 48 THR CB C 14 67.533 67.533 71.731 -4.198 17705 5086 1 13 . 1 1 48 48 THR H H 14 8.693 8.693 9.048 -0.355 17705 5087 1 13 . 1 1 49 49 SER N N 15 121.549 121.549 119.876 1.673 17705 5088 1 13 . 1 1 49 49 SER HA H 15 5.369 5.369 5.069 0.300 17705 5089 1 13 . 1 1 49 49 SER CA C 15 55.530 55.530 59.456 -3.926 17705 5090 1 13 . 1 1 49 49 SER CB C 15 62.465 62.465 64.273 -1.808 17705 5091 1 13 . 1 1 49 49 SER H H 15 8.813 8.813 8.194 0.619 17705 5092 1 13 . 1 1 50 50 LEU N N 16 122.760 122.760 124.906 -2.146 17705 5093 1 13 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.476 0.639 17705 5094 1 13 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.871 -3.674 17705 5095 1 13 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.877 -3.256 17705 5096 1 13 . 1 1 50 50 LEU H H 16 9.287 9.287 8.258 1.029 17705 5097 1 13 . 1 1 51 51 LYS N N 17 123.384 123.384 123.482 -0.098 17705 5098 1 13 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.156 -0.362 17705 5099 1 13 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.557 -1.976 17705 5100 1 13 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.645 -3.392 17705 5101 1 13 . 1 1 51 51 LYS H H 17 9.240 9.240 8.847 0.393 17705 5102 1 13 . 1 1 52 52 VAL N N 18 129.496 129.496 124.998 4.498 17705 5103 1 13 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.867 -0.102 17705 5104 1 13 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.521 -2.291 17705 5105 1 13 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.813 -5.060 17705 5106 1 13 . 1 1 52 52 VAL H H 18 9.194 9.194 7.914 1.280 17705 5107 1 13 . 1 1 53 53 ASP N N 19 126.148 126.148 125.740 0.408 17705 5108 1 13 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.003 0.295 17705 5109 1 13 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.583 -2.520 17705 5110 1 13 . 1 1 53 53 ASP CB C 19 42.733 42.733 45.056 -2.323 17705 5111 1 13 . 1 1 53 53 ASP H H 19 9.382 9.382 9.027 0.355 17705 5112 1 13 . 1 1 54 54 ASN N N 20 113.840 113.840 117.484 -3.644 17705 5113 1 13 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.677 -0.219 17705 5114 1 13 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.057 -2.930 17705 5115 1 13 . 1 1 54 54 ASN CB C 20 35.050 35.050 37.887 -2.837 17705 5116 1 13 . 1 1 54 54 ASN H H 20 8.736 8.736 8.502 0.234 17705 5117 1 13 . 1 1 55 55 LEU N N 21 115.267 115.267 122.602 -7.335 17705 5118 1 13 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.787 -0.398 17705 5119 1 13 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.489 -2.320 17705 5120 1 13 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.229 -4.054 17705 5121 1 13 . 1 1 55 55 LEU H H 21 7.661 7.661 8.660 -0.999 17705 5122 1 13 . 1 1 56 56 THR N N 22 111.721 111.721 113.609 -1.888 17705 5123 1 13 . 1 1 56 56 THR CB C 22 68.066 68.066 69.519 -1.453 17705 5124 1 13 . 1 1 56 56 THR H H 22 8.377 8.377 8.543 -0.166 17705 5125 1 13 . 1 1 57 57 TYR N N 23 122.454 122.454 118.068 4.386 17705 5126 1 13 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.166 0.142 17705 5127 1 13 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.882 -3.304 17705 5128 1 13 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.171 -1.778 17705 5129 1 13 . 1 1 57 57 TYR H H 23 8.601 8.601 8.388 0.213 17705 5130 1 13 . 1 1 58 58 ARG N N 24 114.958 114.958 118.542 -3.584 17705 5131 1 13 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.226 -0.012 17705 5132 1 13 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.727 -2.456 17705 5133 1 13 . 1 1 58 58 ARG CB C 24 27.388 27.388 31.084 -3.696 17705 5134 1 13 . 1 1 58 58 ARG H H 24 7.366 7.366 7.935 -0.569 17705 5135 1 13 . 1 1 59 59 THR N N 25 119.016 119.016 115.826 3.190 17705 5136 1 13 . 1 1 59 59 THR HA H 25 4.037 4.037 4.167 -0.130 17705 5137 1 13 . 1 1 59 59 THR CA C 25 62.031 62.031 64.184 -2.153 17705 5138 1 13 . 1 1 59 59 THR CB C 25 65.705 65.705 69.088 -3.383 17705 5139 1 13 . 1 1 59 59 THR H H 25 7.356 7.356 7.755 -0.399 17705 5140 1 13 . 1 1 60 60 SER N N 26 124.554 124.554 113.254 11.300 17705 5141 1 13 . 1 1 60 60 SER HA H 26 4.834 4.834 4.174 0.660 17705 5142 1 13 . 1 1 60 60 SER CA C 26 52.978 52.978 58.103 -5.125 17705 5143 1 13 . 1 1 60 60 SER CB C 26 61.637 61.637 63.347 -1.710 17705 5144 1 13 . 1 1 60 60 SER H H 26 8.404 8.404 7.963 0.441 17705 5145 1 13 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.293 -0.252 17705 5146 1 13 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.268 -2.191 17705 5147 1 13 . 1 1 62 62 ASP N N 28 115.821 115.821 118.654 -2.833 17705 5148 1 13 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.459 -0.086 17705 5149 1 13 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.914 -3.333 17705 5150 1 13 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.126 -1.911 17705 5151 1 13 . 1 1 62 62 ASP H H 28 8.022 8.022 8.724 -0.702 17705 5152 1 13 . 1 1 63 63 THR N N 29 118.403 118.403 116.839 1.564 17705 5153 1 13 . 1 1 63 63 THR HA H 29 3.898 3.898 4.141 -0.243 17705 5154 1 13 . 1 1 63 63 THR CA C 29 63.704 63.704 66.035 -2.331 17705 5155 1 13 . 1 1 63 63 THR CB C 29 65.555 65.555 68.627 -3.072 17705 5156 1 13 . 1 1 63 63 THR H H 29 7.791 7.791 7.655 0.136 17705 5157 1 13 . 1 1 64 64 LEU N N 30 119.247 119.247 121.357 -2.110 17705 5158 1 13 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.199 -0.161 17705 5159 1 13 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.821 -2.721 17705 5160 1 13 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.558 -1.756 17705 5161 1 13 . 1 1 64 64 LEU H H 30 7.607 7.607 7.703 -0.096 17705 5162 1 13 . 1 1 65 65 ARG N N 31 118.798 118.798 119.368 -0.570 17705 5163 1 13 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.111 -0.471 17705 5164 1 13 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.002 -0.687 17705 5165 1 13 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.855 -2.300 17705 5166 1 13 . 1 1 65 65 ARG H H 31 8.547 8.547 7.943 0.604 17705 5167 1 13 . 1 1 66 66 ARG N N 32 116.038 116.038 117.574 -1.536 17705 5168 1 13 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.336 -0.274 17705 5169 1 13 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.444 -1.758 17705 5170 1 13 . 1 1 66 66 ARG H H 32 7.732 7.732 7.657 0.075 17705 5171 1 13 . 1 1 67 67 VAL N N 33 115.825 115.825 118.235 -2.410 17705 5172 1 13 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.917 -0.073 17705 5173 1 13 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.528 -1.798 17705 5174 1 13 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.392 -2.902 17705 5175 1 13 . 1 1 67 67 VAL H H 33 7.837 7.837 7.655 0.182 17705 5176 1 13 . 1 1 68 68 PHE N N 34 116.175 116.175 116.413 -0.238 17705 5177 1 13 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.892 -0.395 17705 5178 1 13 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.543 0.711 17705 5179 1 13 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.245 -4.985 17705 5180 1 13 . 1 1 68 68 PHE H H 34 8.194 8.194 7.673 0.521 17705 5181 1 13 . 1 1 69 69 GLU N N 35 119.377 119.377 121.243 -1.866 17705 5182 1 13 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.222 0.827 17705 5183 1 13 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.911 -4.000 17705 5184 1 13 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.847 -2.625 17705 5185 1 13 . 1 1 69 69 GLU H H 35 8.669 8.669 8.839 -0.170 17705 5186 1 13 . 1 1 70 70 LYS N N 36 118.371 118.371 119.434 -1.063 17705 5187 1 13 . 1 1 70 70 LYS HA H 36 3.872 3.872 3.998 -0.126 17705 5188 1 13 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.422 -2.943 17705 5189 1 13 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.383 -2.163 17705 5190 1 13 . 1 1 70 70 LYS H H 36 6.866 6.866 8.276 -1.410 17705 5191 1 13 . 1 1 71 71 TYR N N 37 115.053 115.053 118.129 -3.076 17705 5192 1 13 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.353 -0.040 17705 5193 1 13 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.724 -3.593 17705 5194 1 13 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.104 -2.342 17705 5195 1 13 . 1 1 71 71 TYR H H 37 7.637 7.637 7.771 -0.134 17705 5196 1 13 . 1 1 72 72 GLY N N 38 104.732 104.732 106.052 -1.320 17705 5197 1 13 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.377 -3.684 17705 5198 1 13 . 1 1 72 72 GLY H H 38 7.353 7.353 8.022 -0.669 17705 5199 1 13 . 1 1 73 73 ARG N N 39 115.823 115.823 119.226 -3.403 17705 5200 1 13 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.484 -0.158 17705 5201 1 13 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.171 -0.607 17705 5202 1 13 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.131 -5.280 17705 5203 1 13 . 1 1 73 73 ARG H H 39 7.975 7.975 8.154 -0.179 17705 5204 1 13 . 1 1 74 74 VAL N N 40 129.287 129.287 120.411 8.876 17705 5205 1 13 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.479 0.212 17705 5206 1 13 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.050 -1.773 17705 5207 1 13 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.716 -2.998 17705 5208 1 13 . 1 1 74 74 VAL H H 40 8.826 8.826 8.363 0.463 17705 5209 1 13 . 1 1 75 75 GLY N N 41 115.247 115.247 115.093 0.154 17705 5210 1 13 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.136 -2.926 17705 5211 1 13 . 1 1 75 75 GLY H H 41 9.023 9.023 8.174 0.849 17705 5212 1 13 . 1 1 76 76 ASP N N 42 117.313 117.313 118.452 -1.139 17705 5213 1 13 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.830 -0.183 17705 5214 1 13 . 1 1 76 76 ASP CB C 42 41.581 41.581 45.221 -3.639 17705 5215 1 13 . 1 1 76 76 ASP H H 42 7.375 7.375 8.099 -0.724 17705 5216 1 13 . 1 1 77 77 VAL N N 43 121.209 121.209 122.759 -1.550 17705 5217 1 13 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.333 0.310 17705 5218 1 13 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.898 -1.856 17705 5219 1 13 . 1 1 77 77 VAL H H 43 7.799 7.799 8.495 -0.696 17705 5220 1 13 . 1 1 78 78 TYR N N 44 127.478 127.478 126.146 1.332 17705 5221 1 13 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.802 0.252 17705 5222 1 13 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.487 -3.594 17705 5223 1 13 . 1 1 78 78 TYR CB C 44 38.774 38.774 40.943 -2.169 17705 5224 1 13 . 1 1 78 78 TYR H H 44 9.056 9.056 8.053 1.003 17705 5225 1 13 . 1 1 79 79 ILE N N 45 128.848 128.848 119.966 8.882 17705 5226 1 13 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.318 0.079 17705 5227 1 13 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.046 -1.391 17705 5228 1 13 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.859 -3.489 17705 5229 1 13 . 1 1 79 79 ILE H H 45 8.484 8.484 8.502 -0.018 17705 5230 1 13 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.682 -0.623 17705 5231 1 13 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.693 -2.932 17705 5232 1 13 . 1 1 81 81 ARG N N 47 119.796 119.796 120.216 -0.420 17705 5233 1 13 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.174 0.262 17705 5234 1 13 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.806 -0.832 17705 5235 1 13 . 1 1 81 81 ARG H H 47 8.131 8.131 8.057 0.074 17705 5236 1 13 . 1 1 82 82 ASP N N 48 122.427 122.427 119.547 2.880 17705 5237 1 13 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.465 -0.028 17705 5238 1 13 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.787 -3.139 17705 5239 1 13 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.597 -1.243 17705 5240 1 13 . 1 1 82 82 ASP H H 48 8.511 8.511 8.294 0.217 17705 5241 1 13 . 1 1 83 83 ARG N N 49 124.150 124.150 116.577 7.573 17705 5242 1 13 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.494 -0.495 17705 5243 1 13 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.668 -4.010 17705 5244 1 13 . 1 1 83 83 ARG H H 49 8.546 8.546 8.788 -0.242 17705 5245 1 13 . 1 1 84 84 TYR N N 50 118.236 118.236 116.050 2.186 17705 5246 1 13 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.988 -0.335 17705 5247 1 13 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.835 -2.903 17705 5248 1 13 . 1 1 84 84 TYR H H 50 8.376 8.376 7.661 0.715 17705 5249 1 13 . 1 1 85 85 THR N N 51 111.445 111.445 113.072 -1.627 17705 5250 1 13 . 1 1 85 85 THR HA H 51 4.306 4.306 4.606 -0.300 17705 5251 1 13 . 1 1 85 85 THR CA C 51 59.280 59.280 60.467 -1.187 17705 5252 1 13 . 1 1 85 85 THR CB C 51 67.748 67.748 70.849 -3.101 17705 5253 1 13 . 1 1 85 85 THR H H 51 8.790 8.790 8.437 0.353 17705 5254 1 13 . 1 1 86 86 LYS N N 52 115.778 115.778 119.533 -3.755 17705 5255 1 13 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.568 -0.582 17705 5256 1 13 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.980 -0.790 17705 5257 1 13 . 1 1 86 86 LYS H H 52 7.947 7.947 8.403 -0.456 17705 5258 1 13 . 1 1 87 87 GLU N N 53 118.931 118.931 117.212 1.719 17705 5259 1 13 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.675 -0.353 17705 5260 1 13 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.962 -3.601 17705 5261 1 13 . 1 1 87 87 GLU H H 53 7.881 7.881 7.642 0.239 17705 5262 1 13 . 1 1 88 88 SER N N 54 116.268 116.268 114.255 2.013 17705 5263 1 13 . 1 1 88 88 SER HA H 54 4.324 4.324 4.709 -0.385 17705 5264 1 13 . 1 1 88 88 SER CA C 54 55.543 55.543 56.946 -1.403 17705 5265 1 13 . 1 1 88 88 SER CB C 54 61.291 61.291 65.101 -3.810 17705 5266 1 13 . 1 1 88 88 SER H H 54 8.472 8.472 8.482 -0.010 17705 5267 1 13 . 1 1 89 89 ARG N N 55 121.084 121.084 121.601 -0.517 17705 5268 1 13 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.593 -0.260 17705 5269 1 13 . 1 1 89 89 ARG CB C 55 28.239 28.239 31.367 -3.128 17705 5270 1 13 . 1 1 89 89 ARG H H 55 8.121 8.121 8.446 -0.325 17705 5271 1 13 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.987 -1.792 17705 5272 1 13 . 1 1 90 90 GLY H H 56 8.334 8.334 8.918 -0.584 17705 5273 1 13 . 1 1 91 91 PHE N N 57 113.361 113.361 115.161 -1.800 17705 5274 1 13 . 1 1 91 91 PHE HA H 57 5.663 5.663 4.957 0.706 17705 5275 1 13 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.142 -3.258 17705 5276 1 13 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.572 -1.113 17705 5277 1 13 . 1 1 91 91 PHE H H 57 6.980 6.980 7.565 -0.585 17705 5278 1 13 . 1 1 92 92 ALA N N 58 118.350 118.350 123.145 -4.795 17705 5279 1 13 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.593 0.223 17705 5280 1 13 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.793 -3.624 17705 5281 1 13 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.556 1.725 17705 5282 1 13 . 1 1 92 92 ALA H H 58 8.854 8.854 8.112 0.742 17705 5283 1 13 . 1 1 93 93 PHE N N 59 116.210 116.210 118.834 -2.624 17705 5284 1 13 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.621 1.170 17705 5285 1 13 . 1 1 93 93 PHE CA C 59 53.739 53.739 57.005 -3.266 17705 5286 1 13 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.253 -2.327 17705 5287 1 13 . 1 1 93 93 PHE H H 59 9.011 9.011 7.920 1.091 17705 5288 1 13 . 1 1 94 94 VAL N N 60 123.082 123.082 120.778 2.304 17705 5289 1 13 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.355 -0.008 17705 5290 1 13 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.776 -3.080 17705 5291 1 13 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.782 -1.189 17705 5292 1 13 . 1 1 94 94 VAL H H 60 8.878 8.878 7.553 1.325 17705 5293 1 13 . 1 1 95 95 ARG N N 61 125.689 125.689 127.060 -1.371 17705 5294 1 13 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.241 -0.009 17705 5295 1 13 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.317 -2.132 17705 5296 1 13 . 1 1 95 95 ARG H H 61 8.649 8.649 8.971 -0.322 17705 5297 1 13 . 1 1 96 96 PHE N N 62 123.552 123.552 123.435 0.117 17705 5298 1 13 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.661 0.168 17705 5299 1 13 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.481 -0.482 17705 5300 1 13 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.567 -2.084 17705 5301 1 13 . 1 1 96 96 PHE H H 62 9.152 9.152 9.160 -0.008 17705 5302 1 13 . 1 1 97 97 HIS N N 63 119.487 119.487 117.476 2.011 17705 5303 1 13 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.690 -0.289 17705 5304 1 13 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.685 -3.268 17705 5305 1 13 . 1 1 97 97 HIS H H 63 7.904 7.904 8.099 -0.195 17705 5306 1 13 . 1 1 98 98 ASP N N 64 119.624 119.624 120.086 -0.462 17705 5307 1 13 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.895 0.137 17705 5308 1 13 . 1 1 98 98 ASP CA C 64 50.238 50.238 52.675 -2.437 17705 5309 1 13 . 1 1 98 98 ASP CB C 64 41.570 41.570 41.998 -0.428 17705 5310 1 13 . 1 1 98 98 ASP H H 64 9.103 9.103 8.112 0.991 17705 5311 1 13 . 1 1 99 99 LYS N N 65 127.479 127.479 125.894 1.585 17705 5312 1 13 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.172 -0.312 17705 5313 1 13 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.789 -1.665 17705 5314 1 13 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.287 -2.002 17705 5315 1 13 . 1 1 99 99 LYS H H 65 8.743 8.743 8.844 -0.101 17705 5316 1 13 . 1 1 100 100 ARG N N 66 118.795 118.795 118.769 0.026 17705 5317 1 13 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.431 -0.368 17705 5318 1 13 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.208 -2.148 17705 5319 1 13 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.491 -2.718 17705 5320 1 13 . 1 1 100 100 ARG H H 66 8.604 8.604 8.928 -0.324 17705 5321 1 13 . 1 1 101 101 ASP N N 67 119.686 119.686 119.627 0.059 17705 5322 1 13 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.652 -0.450 17705 5323 1 13 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.189 -2.971 17705 5324 1 13 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.597 -2.523 17705 5325 1 13 . 1 1 101 101 ASP H H 67 7.105 7.105 7.911 -0.806 17705 5326 1 13 . 1 1 102 102 ALA N N 68 119.709 119.709 123.008 -3.299 17705 5327 1 13 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.692 -0.866 17705 5328 1 13 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.831 -3.151 17705 5329 1 13 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.527 -2.937 17705 5330 1 13 . 1 1 102 102 ALA H H 68 6.848 6.848 8.033 -1.185 17705 5331 1 13 . 1 1 103 103 GLU N N 69 117.431 117.431 119.905 -2.474 17705 5332 1 13 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.876 -0.221 17705 5333 1 13 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.974 -2.804 17705 5334 1 13 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.525 -3.025 17705 5335 1 13 . 1 1 103 103 GLU H H 69 8.008 8.008 8.354 -0.346 17705 5336 1 13 . 1 1 104 104 ASP N N 70 120.512 120.512 118.741 1.771 17705 5337 1 13 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.395 -0.129 17705 5338 1 13 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.574 -3.057 17705 5339 1 13 . 1 1 104 104 ASP H H 70 8.022 8.022 7.627 0.395 17705 5340 1 13 . 1 1 105 105 ALA N N 71 122.325 122.325 121.694 0.631 17705 5341 1 13 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.586 0.199 17705 5342 1 13 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.402 -2.668 17705 5343 1 13 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.447 -1.299 17705 5344 1 13 . 1 1 105 105 ALA H H 71 8.109 8.109 7.355 0.754 17705 5345 1 13 . 1 1 106 106 MET N N 72 118.595 118.595 118.481 0.114 17705 5346 1 13 . 1 1 106 106 MET HA H 72 3.657 3.657 4.066 -0.409 17705 5347 1 13 . 1 1 106 106 MET CA C 72 57.163 57.163 58.725 -1.562 17705 5348 1 13 . 1 1 106 106 MET CB C 72 30.248 30.248 32.779 -2.531 17705 5349 1 13 . 1 1 106 106 MET H H 72 8.293 8.293 8.158 0.135 17705 5350 1 13 . 1 1 107 107 ASP N N 73 117.126 117.126 118.391 -1.265 17705 5351 1 13 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.408 -0.084 17705 5352 1 13 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.431 -1.383 17705 5353 1 13 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.934 -2.586 17705 5354 1 13 . 1 1 107 107 ASP H H 73 7.784 7.784 8.098 -0.314 17705 5355 1 13 . 1 1 108 108 ALA N N 74 117.971 117.971 117.389 0.582 17705 5356 1 13 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.484 -0.373 17705 5357 1 13 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.044 -0.670 17705 5358 1 13 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.266 -2.613 17705 5359 1 13 . 1 1 108 108 ALA H H 74 7.366 7.366 7.413 -0.047 17705 5360 1 13 . 1 1 109 109 MET N N 75 112.248 112.248 115.276 -3.028 17705 5361 1 13 . 1 1 109 109 MET HA H 75 4.756 4.756 4.543 0.213 17705 5362 1 13 . 1 1 109 109 MET CA C 75 50.696 50.696 54.444 -3.748 17705 5363 1 13 . 1 1 109 109 MET H H 75 8.077 8.077 7.405 0.672 17705 5364 1 13 . 1 1 110 110 ASP N N 76 120.144 120.144 121.386 -1.242 17705 5365 1 13 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.401 0.012 17705 5366 1 13 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.128 -1.198 17705 5367 1 13 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.029 -2.449 17705 5368 1 13 . 1 1 110 110 ASP H H 76 7.915 7.915 7.737 0.178 17705 5369 1 13 . 1 1 111 111 GLY N N 77 117.810 117.810 114.123 3.687 17705 5370 1 13 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.845 -2.997 17705 5371 1 13 . 1 1 111 111 GLY H H 77 8.680 8.680 8.600 0.080 17705 5372 1 13 . 1 1 112 112 ALA N N 78 123.748 123.748 121.483 2.265 17705 5373 1 13 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.340 -0.013 17705 5374 1 13 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.280 -2.312 17705 5375 1 13 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.410 -1.931 17705 5376 1 13 . 1 1 112 112 ALA H H 78 7.918 7.918 7.542 0.376 17705 5377 1 13 . 1 1 113 113 VAL N N 79 118.622 118.622 117.191 1.431 17705 5378 1 13 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.759 0.881 17705 5379 1 13 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.649 -2.027 17705 5380 1 13 . 1 1 113 113 VAL H H 79 8.091 8.091 7.744 0.347 17705 5381 1 13 . 1 1 114 114 LEU N N 80 129.451 129.451 125.381 4.070 17705 5382 1 13 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.111 0.434 17705 5383 1 13 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.947 -4.999 17705 5384 1 13 . 1 1 114 114 LEU CB C 80 42.680 42.680 42.189 0.491 17705 5385 1 13 . 1 1 114 114 LEU H H 80 8.875 8.875 8.383 0.492 17705 5386 1 13 . 1 1 115 115 ASP N N 81 129.610 129.610 116.860 12.750 17705 5387 1 13 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.668 -0.435 17705 5388 1 13 . 1 1 115 115 ASP CA C 81 52.275 52.275 53.958 -1.683 17705 5389 1 13 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.480 -5.222 17705 5390 1 13 . 1 1 115 115 ASP H H 81 9.445 9.445 8.232 1.213 17705 5391 1 13 . 1 1 116 116 GLY N N 82 100.657 100.657 107.391 -6.734 17705 5392 1 13 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.642 -2.757 17705 5393 1 13 . 1 1 116 116 GLY H H 82 8.008 8.008 8.296 -0.288 17705 5394 1 13 . 1 1 117 117 ARG N N 83 120.179 120.179 117.802 2.377 17705 5395 1 13 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.502 0.044 17705 5396 1 13 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.716 -4.768 17705 5397 1 13 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.548 -0.980 17705 5398 1 13 . 1 1 117 117 ARG H H 83 7.499 7.499 7.853 -0.354 17705 5399 1 13 . 1 1 118 118 GLU N N 84 121.274 121.274 116.909 4.365 17705 5400 1 13 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.449 -0.130 17705 5401 1 13 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.177 -3.160 17705 5402 1 13 . 1 1 118 118 GLU CB C 84 27.189 27.189 30.750 -3.561 17705 5403 1 13 . 1 1 118 118 GLU H H 84 8.369 8.369 7.946 0.423 17705 5404 1 13 . 1 1 119 119 LEU N N 85 128.104 128.104 119.013 9.091 17705 5405 1 13 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.718 -0.168 17705 5406 1 13 . 1 1 119 119 LEU CA C 85 51.786 51.786 53.054 -1.268 17705 5407 1 13 . 1 1 119 119 LEU CB C 85 40.888 40.888 46.406 -5.518 17705 5408 1 13 . 1 1 119 119 LEU H H 85 9.356 9.356 8.453 0.903 17705 5409 1 13 . 1 1 120 120 ARG N N 86 121.349 121.349 120.218 1.131 17705 5410 1 13 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.135 0.019 17705 5411 1 13 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.875 -2.226 17705 5412 1 13 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.294 -3.719 17705 5413 1 13 . 1 1 120 120 ARG H H 86 7.677 7.677 8.408 -0.731 17705 5414 1 13 . 1 1 121 121 VAL N N 87 126.888 126.888 123.419 3.469 17705 5415 1 13 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.795 0.346 17705 5416 1 13 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.911 -2.386 17705 5417 1 13 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.744 -2.811 17705 5418 1 13 . 1 1 121 121 VAL H H 87 9.435 9.435 8.576 0.859 17705 5419 1 13 . 1 1 122 122 GLN N N 88 122.184 122.184 122.479 -0.295 17705 5420 1 13 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.728 0.207 17705 5421 1 13 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.891 -2.901 17705 5422 1 13 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.146 -0.786 17705 5423 1 13 . 1 1 122 122 GLN H H 88 8.520 8.520 8.939 -0.419 17705 5424 1 13 . 1 1 123 123 MET N N 89 122.187 122.187 120.283 1.904 17705 5425 1 13 . 1 1 123 123 MET HA H 89 4.660 4.660 4.314 0.346 17705 5426 1 13 . 1 1 123 123 MET CB C 89 29.398 29.398 32.049 -2.651 17705 5427 1 13 . 1 1 123 123 MET H H 89 8.699 8.699 8.963 -0.264 17705 5428 1 13 . 1 1 124 124 ALA N N 90 127.406 127.406 125.763 1.643 17705 5429 1 13 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.176 0.273 17705 5430 1 13 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.066 -2.485 17705 5431 1 13 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.921 -2.123 17705 5432 1 13 . 1 1 124 124 ALA H H 90 8.592 8.592 8.762 -0.170 17705 5433 1 13 . 1 1 125 125 ARG N N 91 119.981 119.981 113.558 6.423 17705 5434 1 13 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.741 0.578 17705 5435 1 13 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.289 -4.071 17705 5436 1 13 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.693 0.941 17705 5437 1 13 . 1 1 125 125 ARG H H 91 8.299 8.299 8.251 0.048 17705 5438 1 13 . 1 1 126 126 TYR N N 92 121.757 121.757 116.799 4.958 17705 5439 1 13 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.737 -0.271 17705 5440 1 13 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.139 -1.050 17705 5441 1 13 . 1 1 126 126 TYR CB C 92 36.470 36.470 41.833 -5.363 17705 5442 1 13 . 1 1 126 126 TYR H H 92 8.182 8.182 7.522 0.660 17705 5443 1 13 . 1 1 127 127 GLY N N 93 110.707 110.707 107.839 2.868 17705 5444 1 13 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.919 -2.577 17705 5445 1 13 . 1 1 127 127 GLY H H 93 7.969 7.969 8.396 -0.427 17705 5446 1 13 . 1 1 128 128 ARG N N 94 121.504 121.504 119.578 1.926 17705 5447 1 13 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.812 -0.347 17705 5448 1 13 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.588 -2.539 17705 5449 1 13 . 1 1 128 128 ARG H H 94 7.930 7.930 8.546 -0.616 17705 5450 1 13 . 1 1 131 131 ASP N N 97 120.004 120.004 117.216 2.788 17705 5451 1 13 . 1 1 131 131 ASP H H 97 8.289 8.289 8.364 -0.075 17705 5452 1 13 . 1 1 132 132 SER N N 98 115.594 115.594 111.009 4.585 17705 5453 1 13 . 1 1 132 132 SER HA H 98 4.348 4.348 4.449 -0.101 17705 5454 1 13 . 1 1 132 132 SER CB C 98 61.181 61.181 64.079 -2.898 17705 5455 1 13 . 1 1 132 132 SER H H 98 8.128 8.128 7.680 0.448 17705 5456 1 13 . 1 1 133 133 HIS CB C 99 27.069 27.069 27.217 -0.148 17705 5457 1 13 . 1 1 133 133 HIS H H 99 8.290 8.290 7.981 0.309 17705 5458 1 13 . 1 1 134 134 HIS N N 100 120.371 120.371 115.682 4.689 17705 5459 1 13 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.037 -3.987 17705 5460 1 13 . 1 1 134 134 HIS H H 100 7.251 7.251 7.943 -0.692 17705 5461 1 14 . 1 1 36 36 SER N N 2 116.240 116.240 116.527 -0.287 17705 5462 1 14 . 1 1 36 36 SER HA H 2 4.389 4.389 5.471 -1.082 17705 5463 1 14 . 1 1 36 36 SER CB C 2 61.141 61.141 65.856 -4.715 17705 5464 1 14 . 1 1 36 36 SER H H 2 8.111 8.111 8.904 -0.793 17705 5465 1 14 . 1 1 37 37 TYR N N 3 121.776 121.776 118.249 3.527 17705 5466 1 14 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.420 -0.875 17705 5467 1 14 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.215 -1.920 17705 5468 1 14 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.570 -3.457 17705 5469 1 14 . 1 1 37 37 TYR H H 3 8.062 8.062 8.965 -0.903 17705 5470 1 14 . 1 1 38 38 GLY N N 4 110.102 110.102 108.555 1.547 17705 5471 1 14 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.316 -1.738 17705 5472 1 14 . 1 1 38 38 GLY H H 4 8.221 8.221 8.385 -0.164 17705 5473 1 14 . 1 1 39 39 ARG N N 5 121.307 121.307 121.592 -0.285 17705 5474 1 14 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.476 0.106 17705 5475 1 14 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.428 -4.408 17705 5476 1 14 . 1 1 39 39 ARG CB C 5 27.731 27.731 30.236 -2.505 17705 5477 1 14 . 1 1 39 39 ARG H H 5 7.967 7.967 8.362 -0.395 17705 5478 1 14 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.525 -0.194 17705 5479 1 14 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.672 -2.153 17705 5480 1 14 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.120 -3.830 17705 5481 1 14 . 1 1 43 43 ASP N N 9 119.234 119.234 117.189 2.045 17705 5482 1 14 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.813 -0.271 17705 5483 1 14 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.021 -3.602 17705 5484 1 14 . 1 1 43 43 ASP H H 9 8.260 8.260 8.373 -0.113 17705 5485 1 14 . 1 1 44 44 VAL N N 10 119.005 119.005 117.231 1.774 17705 5486 1 14 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.973 0.058 17705 5487 1 14 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.957 -3.889 17705 5488 1 14 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.914 -1.066 17705 5489 1 14 . 1 1 44 44 VAL H H 10 7.903 7.903 7.990 -0.087 17705 5490 1 14 . 1 1 45 45 GLU N N 11 122.556 122.556 120.523 2.033 17705 5491 1 14 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.109 0.023 17705 5492 1 14 . 1 1 45 45 GLU CA C 11 54.758 54.758 58.082 -3.324 17705 5493 1 14 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.872 -1.662 17705 5494 1 14 . 1 1 45 45 GLU H H 11 8.304 8.304 8.577 -0.273 17705 5495 1 14 . 1 1 46 46 GLY N N 12 108.250 108.250 103.292 4.958 17705 5496 1 14 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.908 -2.136 17705 5497 1 14 . 1 1 46 46 GLY H H 12 8.187 8.187 7.824 0.363 17705 5498 1 14 . 1 1 47 47 MET N N 13 118.678 118.678 116.931 1.747 17705 5499 1 14 . 1 1 47 47 MET HA H 13 4.606 4.606 4.885 -0.279 17705 5500 1 14 . 1 1 47 47 MET CB C 13 30.713 30.713 36.071 -5.358 17705 5501 1 14 . 1 1 47 47 MET H H 13 7.798 7.798 7.512 0.286 17705 5502 1 14 . 1 1 48 48 THR N N 14 116.971 116.971 112.489 4.482 17705 5503 1 14 . 1 1 48 48 THR HA H 14 4.469 4.469 4.555 -0.086 17705 5504 1 14 . 1 1 48 48 THR CA C 14 60.072 60.072 62.936 -2.864 17705 5505 1 14 . 1 1 48 48 THR CB C 14 67.533 67.533 71.027 -3.494 17705 5506 1 14 . 1 1 48 48 THR H H 14 8.693 8.693 8.286 0.407 17705 5507 1 14 . 1 1 49 49 SER N N 15 121.549 121.549 118.633 2.916 17705 5508 1 14 . 1 1 49 49 SER HA H 15 5.369 5.369 5.058 0.311 17705 5509 1 14 . 1 1 49 49 SER CA C 15 55.530 55.530 57.808 -2.278 17705 5510 1 14 . 1 1 49 49 SER CB C 15 62.465 62.465 64.623 -2.158 17705 5511 1 14 . 1 1 49 49 SER H H 15 8.813 8.813 7.908 0.905 17705 5512 1 14 . 1 1 50 50 LEU N N 16 122.760 122.760 122.829 -0.069 17705 5513 1 14 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.611 0.504 17705 5514 1 14 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.999 -3.802 17705 5515 1 14 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.515 -2.894 17705 5516 1 14 . 1 1 50 50 LEU H H 16 9.287 9.287 8.408 0.879 17705 5517 1 14 . 1 1 51 51 LYS N N 17 123.384 123.384 128.375 -4.991 17705 5518 1 14 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.473 -0.679 17705 5519 1 14 . 1 1 51 51 LYS CA C 17 52.581 52.581 53.926 -1.345 17705 5520 1 14 . 1 1 51 51 LYS CB C 17 32.253 32.253 34.602 -2.349 17705 5521 1 14 . 1 1 51 51 LYS H H 17 9.240 9.240 9.052 0.188 17705 5522 1 14 . 1 1 52 52 VAL N N 18 129.496 129.496 125.946 3.550 17705 5523 1 14 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.787 -0.022 17705 5524 1 14 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.982 -2.752 17705 5525 1 14 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.533 -4.780 17705 5526 1 14 . 1 1 52 52 VAL H H 18 9.194 9.194 7.794 1.400 17705 5527 1 14 . 1 1 53 53 ASP N N 19 126.148 126.148 123.688 2.460 17705 5528 1 14 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.121 0.177 17705 5529 1 14 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.341 -2.278 17705 5530 1 14 . 1 1 53 53 ASP CB C 19 42.733 42.733 45.304 -2.571 17705 5531 1 14 . 1 1 53 53 ASP H H 19 9.382 9.382 8.905 0.477 17705 5532 1 14 . 1 1 54 54 ASN N N 20 113.840 113.840 117.097 -3.257 17705 5533 1 14 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.617 -0.159 17705 5534 1 14 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.231 -3.104 17705 5535 1 14 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.071 -3.021 17705 5536 1 14 . 1 1 54 54 ASN H H 20 8.736 8.736 8.690 0.046 17705 5537 1 14 . 1 1 55 55 LEU N N 21 115.267 115.267 122.720 -7.453 17705 5538 1 14 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.746 -0.357 17705 5539 1 14 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.488 -2.319 17705 5540 1 14 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.883 -4.708 17705 5541 1 14 . 1 1 55 55 LEU H H 21 7.661 7.661 8.571 -0.910 17705 5542 1 14 . 1 1 56 56 THR N N 22 111.721 111.721 114.974 -3.253 17705 5543 1 14 . 1 1 56 56 THR CB C 22 68.066 68.066 69.655 -1.589 17705 5544 1 14 . 1 1 56 56 THR H H 22 8.377 8.377 8.511 -0.134 17705 5545 1 14 . 1 1 57 57 TYR N N 23 122.454 122.454 116.972 5.482 17705 5546 1 14 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.142 0.166 17705 5547 1 14 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.259 -2.682 17705 5548 1 14 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.852 -2.459 17705 5549 1 14 . 1 1 57 57 TYR H H 23 8.601 8.601 8.302 0.299 17705 5550 1 14 . 1 1 58 58 ARG N N 24 114.958 114.958 116.991 -2.033 17705 5551 1 14 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.127 0.087 17705 5552 1 14 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.753 -2.482 17705 5553 1 14 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.337 -2.950 17705 5554 1 14 . 1 1 58 58 ARG H H 24 7.366 7.366 8.187 -0.821 17705 5555 1 14 . 1 1 59 59 THR N N 25 119.016 119.016 114.977 4.039 17705 5556 1 14 . 1 1 59 59 THR HA H 25 4.037 4.037 4.107 -0.070 17705 5557 1 14 . 1 1 59 59 THR CA C 25 62.031 62.031 63.620 -1.589 17705 5558 1 14 . 1 1 59 59 THR CB C 25 65.705 65.705 68.883 -3.179 17705 5559 1 14 . 1 1 59 59 THR H H 25 7.356 7.356 8.067 -0.711 17705 5560 1 14 . 1 1 60 60 SER N N 26 124.554 124.554 112.142 12.412 17705 5561 1 14 . 1 1 60 60 SER HA H 26 4.834 4.834 4.249 0.585 17705 5562 1 14 . 1 1 60 60 SER CA C 26 52.978 52.978 59.328 -6.350 17705 5563 1 14 . 1 1 60 60 SER CB C 26 61.637 61.637 62.899 -1.262 17705 5564 1 14 . 1 1 60 60 SER H H 26 8.404 8.404 8.029 0.375 17705 5565 1 14 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.274 -0.233 17705 5566 1 14 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.346 -2.269 17705 5567 1 14 . 1 1 62 62 ASP N N 28 115.821 115.821 117.653 -1.832 17705 5568 1 14 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.453 -0.080 17705 5569 1 14 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.775 -3.194 17705 5570 1 14 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.588 -2.373 17705 5571 1 14 . 1 1 62 62 ASP H H 28 8.022 8.022 8.714 -0.692 17705 5572 1 14 . 1 1 63 63 THR N N 29 118.403 118.403 116.674 1.729 17705 5573 1 14 . 1 1 63 63 THR HA H 29 3.898 3.898 4.075 -0.177 17705 5574 1 14 . 1 1 63 63 THR CA C 29 63.704 63.704 65.898 -2.194 17705 5575 1 14 . 1 1 63 63 THR CB C 29 65.555 65.555 68.815 -3.260 17705 5576 1 14 . 1 1 63 63 THR H H 29 7.791 7.791 7.567 0.224 17705 5577 1 14 . 1 1 64 64 LEU N N 30 119.247 119.247 121.088 -1.841 17705 5578 1 14 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.158 -0.120 17705 5579 1 14 . 1 1 64 64 LEU CA C 30 55.100 55.100 58.173 -3.073 17705 5580 1 14 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.578 -1.776 17705 5581 1 14 . 1 1 64 64 LEU H H 30 7.607 7.607 7.692 -0.085 17705 5582 1 14 . 1 1 65 65 ARG N N 31 118.798 118.798 119.319 -0.521 17705 5583 1 14 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.081 -0.441 17705 5584 1 14 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.027 -0.712 17705 5585 1 14 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.870 -2.316 17705 5586 1 14 . 1 1 65 65 ARG H H 31 8.547 8.547 8.189 0.358 17705 5587 1 14 . 1 1 66 66 ARG N N 32 116.038 116.038 117.494 -1.456 17705 5588 1 14 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.326 -0.264 17705 5589 1 14 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.437 -1.751 17705 5590 1 14 . 1 1 66 66 ARG H H 32 7.732 7.732 7.737 -0.005 17705 5591 1 14 . 1 1 67 67 VAL N N 33 115.825 115.825 118.165 -2.340 17705 5592 1 14 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.958 -0.114 17705 5593 1 14 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.171 -1.441 17705 5594 1 14 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.251 -2.761 17705 5595 1 14 . 1 1 67 67 VAL H H 33 7.837 7.837 7.523 0.314 17705 5596 1 14 . 1 1 68 68 PHE N N 34 116.175 116.175 116.972 -0.797 17705 5597 1 14 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.897 -0.400 17705 5598 1 14 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.498 0.756 17705 5599 1 14 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.227 -4.967 17705 5600 1 14 . 1 1 68 68 PHE H H 34 8.194 8.194 7.740 0.454 17705 5601 1 14 . 1 1 69 69 GLU N N 35 119.377 119.377 121.238 -1.861 17705 5602 1 14 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.119 0.930 17705 5603 1 14 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.855 -3.944 17705 5604 1 14 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.880 -2.658 17705 5605 1 14 . 1 1 69 69 GLU H H 35 8.669 8.669 8.860 -0.191 17705 5606 1 14 . 1 1 70 70 LYS N N 36 118.371 118.371 119.439 -1.068 17705 5607 1 14 . 1 1 70 70 LYS HA H 36 3.872 3.872 3.986 -0.114 17705 5608 1 14 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.407 -2.928 17705 5609 1 14 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.408 -2.188 17705 5610 1 14 . 1 1 70 70 LYS H H 36 6.866 6.866 8.234 -1.368 17705 5611 1 14 . 1 1 71 71 TYR N N 37 115.053 115.053 118.257 -3.204 17705 5612 1 14 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.330 -0.017 17705 5613 1 14 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.922 -3.791 17705 5614 1 14 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.067 -2.305 17705 5615 1 14 . 1 1 71 71 TYR H H 37 7.637 7.637 7.837 -0.200 17705 5616 1 14 . 1 1 72 72 GLY N N 38 104.732 104.732 105.414 -0.682 17705 5617 1 14 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.315 -3.622 17705 5618 1 14 . 1 1 72 72 GLY H H 38 7.353 7.353 7.940 -0.587 17705 5619 1 14 . 1 1 73 73 ARG N N 39 115.823 115.823 118.793 -2.970 17705 5620 1 14 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.465 -0.139 17705 5621 1 14 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.535 -0.971 17705 5622 1 14 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.187 -5.336 17705 5623 1 14 . 1 1 73 73 ARG H H 39 7.975 7.975 8.012 -0.037 17705 5624 1 14 . 1 1 74 74 VAL N N 40 129.287 129.287 120.207 9.080 17705 5625 1 14 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.544 0.147 17705 5626 1 14 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.208 -1.931 17705 5627 1 14 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.571 -2.853 17705 5628 1 14 . 1 1 74 74 VAL H H 40 8.826 8.826 8.404 0.422 17705 5629 1 14 . 1 1 75 75 GLY N N 41 115.247 115.247 115.097 0.150 17705 5630 1 14 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.033 -2.823 17705 5631 1 14 . 1 1 75 75 GLY H H 41 9.023 9.023 8.345 0.678 17705 5632 1 14 . 1 1 76 76 ASP N N 42 117.313 117.313 117.632 -0.319 17705 5633 1 14 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.840 -0.193 17705 5634 1 14 . 1 1 76 76 ASP CB C 42 41.581 41.581 45.056 -3.475 17705 5635 1 14 . 1 1 76 76 ASP H H 42 7.375 7.375 7.729 -0.354 17705 5636 1 14 . 1 1 77 77 VAL N N 43 121.209 121.209 122.441 -1.232 17705 5637 1 14 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.226 0.417 17705 5638 1 14 . 1 1 77 77 VAL CB C 43 32.042 32.042 34.123 -2.081 17705 5639 1 14 . 1 1 77 77 VAL H H 43 7.799 7.799 8.538 -0.739 17705 5640 1 14 . 1 1 78 78 TYR N N 44 127.478 127.478 126.183 1.295 17705 5641 1 14 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.787 0.267 17705 5642 1 14 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.474 -3.581 17705 5643 1 14 . 1 1 78 78 TYR CB C 44 38.774 38.774 40.912 -2.138 17705 5644 1 14 . 1 1 78 78 TYR H H 44 9.056 9.056 8.051 1.005 17705 5645 1 14 . 1 1 79 79 ILE N N 45 128.848 128.848 119.776 9.072 17705 5646 1 14 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.283 0.114 17705 5647 1 14 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.103 -1.448 17705 5648 1 14 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.847 -3.477 17705 5649 1 14 . 1 1 79 79 ILE H H 45 8.484 8.484 8.476 0.008 17705 5650 1 14 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.614 -0.555 17705 5651 1 14 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.369 -2.608 17705 5652 1 14 . 1 1 81 81 ARG N N 47 119.796 119.796 119.241 0.555 17705 5653 1 14 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.155 0.281 17705 5654 1 14 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.750 -0.775 17705 5655 1 14 . 1 1 81 81 ARG H H 47 8.131 8.131 7.997 0.134 17705 5656 1 14 . 1 1 82 82 ASP N N 48 122.427 122.427 120.437 1.990 17705 5657 1 14 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.409 0.028 17705 5658 1 14 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.917 -3.269 17705 5659 1 14 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.698 -1.344 17705 5660 1 14 . 1 1 82 82 ASP H H 48 8.511 8.511 8.438 0.073 17705 5661 1 14 . 1 1 83 83 ARG N N 49 124.150 124.150 119.624 4.526 17705 5662 1 14 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.398 -0.399 17705 5663 1 14 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.533 -3.875 17705 5664 1 14 . 1 1 83 83 ARG H H 49 8.546 8.546 8.313 0.233 17705 5665 1 14 . 1 1 84 84 TYR N N 50 118.236 118.236 117.199 1.037 17705 5666 1 14 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.005 -0.352 17705 5667 1 14 . 1 1 84 84 TYR CB C 50 35.932 35.932 39.284 -3.352 17705 5668 1 14 . 1 1 84 84 TYR H H 50 8.376 8.376 8.735 -0.359 17705 5669 1 14 . 1 1 85 85 THR N N 51 111.445 111.445 113.839 -2.394 17705 5670 1 14 . 1 1 85 85 THR HA H 51 4.306 4.306 4.524 -0.218 17705 5671 1 14 . 1 1 85 85 THR CA C 51 59.280 59.280 60.710 -1.430 17705 5672 1 14 . 1 1 85 85 THR CB C 51 67.748 67.748 71.272 -3.524 17705 5673 1 14 . 1 1 85 85 THR H H 51 8.790 8.790 7.427 1.363 17705 5674 1 14 . 1 1 86 86 LYS N N 52 115.778 115.778 119.894 -4.116 17705 5675 1 14 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.652 -0.666 17705 5676 1 14 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.350 -0.160 17705 5677 1 14 . 1 1 86 86 LYS H H 52 7.947 7.947 8.462 -0.515 17705 5678 1 14 . 1 1 87 87 GLU N N 53 118.931 118.931 117.363 1.568 17705 5679 1 14 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.665 -0.343 17705 5680 1 14 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.065 -3.704 17705 5681 1 14 . 1 1 87 87 GLU H H 53 7.881 7.881 7.619 0.262 17705 5682 1 14 . 1 1 88 88 SER N N 54 116.268 116.268 113.828 2.440 17705 5683 1 14 . 1 1 88 88 SER HA H 54 4.324 4.324 4.729 -0.405 17705 5684 1 14 . 1 1 88 88 SER CA C 54 55.543 55.543 57.145 -1.601 17705 5685 1 14 . 1 1 88 88 SER CB C 54 61.291 61.291 65.571 -4.280 17705 5686 1 14 . 1 1 88 88 SER H H 54 8.472 8.472 8.386 0.086 17705 5687 1 14 . 1 1 89 89 ARG N N 55 121.084 121.084 121.698 -0.614 17705 5688 1 14 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.633 -0.300 17705 5689 1 14 . 1 1 89 89 ARG CB C 55 28.239 28.239 31.467 -3.228 17705 5690 1 14 . 1 1 89 89 ARG H H 55 8.121 8.121 8.376 -0.255 17705 5691 1 14 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.872 -1.677 17705 5692 1 14 . 1 1 90 90 GLY H H 56 8.334 8.334 8.917 -0.583 17705 5693 1 14 . 1 1 91 91 PHE N N 57 113.361 113.361 115.427 -2.066 17705 5694 1 14 . 1 1 91 91 PHE HA H 57 5.663 5.663 4.920 0.743 17705 5695 1 14 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.146 -3.262 17705 5696 1 14 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.530 -1.070 17705 5697 1 14 . 1 1 91 91 PHE H H 57 6.980 6.980 7.536 -0.556 17705 5698 1 14 . 1 1 92 92 ALA N N 58 118.350 118.350 123.546 -5.196 17705 5699 1 14 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.560 0.256 17705 5700 1 14 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.873 -3.704 17705 5701 1 14 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.094 2.187 17705 5702 1 14 . 1 1 92 92 ALA H H 58 8.854 8.854 8.139 0.715 17705 5703 1 14 . 1 1 93 93 PHE N N 59 116.210 116.210 118.930 -2.720 17705 5704 1 14 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.665 1.126 17705 5705 1 14 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.447 -2.708 17705 5706 1 14 . 1 1 93 93 PHE CB C 59 38.926 38.926 40.626 -1.700 17705 5707 1 14 . 1 1 93 93 PHE H H 59 9.011 9.011 7.998 1.013 17705 5708 1 14 . 1 1 94 94 VAL N N 60 123.082 123.082 121.218 1.864 17705 5709 1 14 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.325 0.022 17705 5710 1 14 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.885 -3.189 17705 5711 1 14 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.906 -1.312 17705 5712 1 14 . 1 1 94 94 VAL H H 60 8.878 8.878 7.612 1.266 17705 5713 1 14 . 1 1 95 95 ARG N N 61 125.689 125.689 125.456 0.233 17705 5714 1 14 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.100 0.132 17705 5715 1 14 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.868 -2.683 17705 5716 1 14 . 1 1 95 95 ARG H H 61 8.649 8.649 8.868 -0.219 17705 5717 1 14 . 1 1 96 96 PHE N N 62 123.552 123.552 125.436 -1.884 17705 5718 1 14 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.399 0.430 17705 5719 1 14 . 1 1 96 96 PHE CA C 62 54.999 54.999 56.367 -1.369 17705 5720 1 14 . 1 1 96 96 PHE CB C 62 39.483 39.483 40.200 -0.717 17705 5721 1 14 . 1 1 96 96 PHE H H 62 9.152 9.152 8.416 0.736 17705 5722 1 14 . 1 1 97 97 HIS N N 63 119.487 119.487 117.310 2.177 17705 5723 1 14 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.639 -0.238 17705 5724 1 14 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.779 -3.362 17705 5725 1 14 . 1 1 97 97 HIS H H 63 7.904 7.904 7.988 -0.084 17705 5726 1 14 . 1 1 98 98 ASP N N 64 119.624 119.624 120.223 -0.599 17705 5727 1 14 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.887 0.145 17705 5728 1 14 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.126 -2.888 17705 5729 1 14 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.773 -1.203 17705 5730 1 14 . 1 1 98 98 ASP H H 64 9.103 9.103 8.055 1.048 17705 5731 1 14 . 1 1 99 99 LYS N N 65 127.479 127.479 125.892 1.587 17705 5732 1 14 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.191 -0.331 17705 5733 1 14 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.731 -1.607 17705 5734 1 14 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.336 -2.051 17705 5735 1 14 . 1 1 99 99 LYS H H 65 8.743 8.743 8.842 -0.099 17705 5736 1 14 . 1 1 100 100 ARG N N 66 118.795 118.795 119.301 -0.506 17705 5737 1 14 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.455 -0.392 17705 5738 1 14 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.256 -2.196 17705 5739 1 14 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.523 -2.749 17705 5740 1 14 . 1 1 100 100 ARG H H 66 8.604 8.604 8.974 -0.370 17705 5741 1 14 . 1 1 101 101 ASP N N 67 119.686 119.686 119.207 0.479 17705 5742 1 14 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.631 -0.429 17705 5743 1 14 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.344 -3.126 17705 5744 1 14 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.478 -2.405 17705 5745 1 14 . 1 1 101 101 ASP H H 67 7.105 7.105 7.956 -0.851 17705 5746 1 14 . 1 1 102 102 ALA N N 68 119.709 119.709 122.980 -3.271 17705 5747 1 14 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.746 -0.920 17705 5748 1 14 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.885 -3.206 17705 5749 1 14 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.544 -2.954 17705 5750 1 14 . 1 1 102 102 ALA H H 68 6.848 6.848 8.069 -1.221 17705 5751 1 14 . 1 1 103 103 GLU N N 69 117.431 117.431 119.861 -2.430 17705 5752 1 14 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.897 -0.242 17705 5753 1 14 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.938 -2.769 17705 5754 1 14 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.531 -3.031 17705 5755 1 14 . 1 1 103 103 GLU H H 69 8.008 8.008 8.296 -0.288 17705 5756 1 14 . 1 1 104 104 ASP N N 70 120.512 120.512 118.789 1.723 17705 5757 1 14 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.415 -0.149 17705 5758 1 14 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.610 -3.093 17705 5759 1 14 . 1 1 104 104 ASP H H 70 8.022 8.022 7.653 0.369 17705 5760 1 14 . 1 1 105 105 ALA N N 71 122.325 122.325 122.172 0.153 17705 5761 1 14 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.670 0.115 17705 5762 1 14 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.521 -2.787 17705 5763 1 14 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.392 -1.244 17705 5764 1 14 . 1 1 105 105 ALA H H 71 8.109 8.109 7.448 0.661 17705 5765 1 14 . 1 1 106 106 MET N N 72 118.595 118.595 118.229 0.366 17705 5766 1 14 . 1 1 106 106 MET HA H 72 3.657 3.657 4.082 -0.425 17705 5767 1 14 . 1 1 106 106 MET CA C 72 57.163 57.163 58.691 -1.528 17705 5768 1 14 . 1 1 106 106 MET CB C 72 30.248 30.248 32.757 -2.509 17705 5769 1 14 . 1 1 106 106 MET H H 72 8.293 8.293 8.127 0.166 17705 5770 1 14 . 1 1 107 107 ASP N N 73 117.126 117.126 118.749 -1.623 17705 5771 1 14 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.445 -0.121 17705 5772 1 14 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.569 -1.521 17705 5773 1 14 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.955 -2.607 17705 5774 1 14 . 1 1 107 107 ASP H H 73 7.784 7.784 8.042 -0.258 17705 5775 1 14 . 1 1 108 108 ALA N N 74 117.971 117.971 117.467 0.504 17705 5776 1 14 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.495 -0.384 17705 5777 1 14 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.197 -0.823 17705 5778 1 14 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.155 -2.502 17705 5779 1 14 . 1 1 108 108 ALA H H 74 7.366 7.366 7.376 -0.010 17705 5780 1 14 . 1 1 109 109 MET N N 75 112.248 112.248 114.952 -2.704 17705 5781 1 14 . 1 1 109 109 MET HA H 75 4.756 4.756 4.532 0.224 17705 5782 1 14 . 1 1 109 109 MET CA C 75 50.696 50.696 54.480 -3.784 17705 5783 1 14 . 1 1 109 109 MET H H 75 8.077 8.077 7.370 0.707 17705 5784 1 14 . 1 1 110 110 ASP N N 76 120.144 120.144 121.816 -1.672 17705 5785 1 14 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.410 0.003 17705 5786 1 14 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.968 -1.038 17705 5787 1 14 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.675 -2.095 17705 5788 1 14 . 1 1 110 110 ASP H H 76 7.915 7.915 7.915 0.000 17705 5789 1 14 . 1 1 111 111 GLY N N 77 117.810 117.810 114.345 3.465 17705 5790 1 14 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.610 -2.762 17705 5791 1 14 . 1 1 111 111 GLY H H 77 8.680 8.680 8.493 0.187 17705 5792 1 14 . 1 1 112 112 ALA N N 78 123.748 123.748 121.581 2.167 17705 5793 1 14 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.349 -0.022 17705 5794 1 14 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.394 -2.426 17705 5795 1 14 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.358 -1.879 17705 5796 1 14 . 1 1 112 112 ALA H H 78 7.918 7.918 7.629 0.289 17705 5797 1 14 . 1 1 113 113 VAL N N 79 118.622 118.622 118.343 0.279 17705 5798 1 14 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.745 0.894 17705 5799 1 14 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.274 -1.652 17705 5800 1 14 . 1 1 113 113 VAL H H 79 8.091 8.091 7.866 0.225 17705 5801 1 14 . 1 1 114 114 LEU N N 80 129.451 129.451 119.858 9.593 17705 5802 1 14 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.349 0.196 17705 5803 1 14 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.473 -4.525 17705 5804 1 14 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.317 1.363 17705 5805 1 14 . 1 1 114 114 LEU H H 80 8.875 8.875 8.464 0.411 17705 5806 1 14 . 1 1 115 115 ASP N N 81 129.610 129.610 116.495 13.115 17705 5807 1 14 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.720 -0.487 17705 5808 1 14 . 1 1 115 115 ASP CA C 81 52.275 52.275 55.076 -2.801 17705 5809 1 14 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.174 -4.916 17705 5810 1 14 . 1 1 115 115 ASP H H 81 9.445 9.445 8.259 1.186 17705 5811 1 14 . 1 1 116 116 GLY N N 82 100.657 100.657 108.916 -8.259 17705 5812 1 14 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.014 -2.129 17705 5813 1 14 . 1 1 116 116 GLY H H 82 8.008 8.008 8.254 -0.246 17705 5814 1 14 . 1 1 117 117 ARG N N 83 120.179 120.179 119.005 1.174 17705 5815 1 14 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.471 0.075 17705 5816 1 14 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.550 -4.601 17705 5817 1 14 . 1 1 117 117 ARG CB C 83 30.568 30.568 32.848 -2.280 17705 5818 1 14 . 1 1 117 117 ARG H H 83 7.499 7.499 8.050 -0.551 17705 5819 1 14 . 1 1 118 118 GLU N N 84 121.274 121.274 118.709 2.565 17705 5820 1 14 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.154 0.165 17705 5821 1 14 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.878 -3.861 17705 5822 1 14 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.268 -2.079 17705 5823 1 14 . 1 1 118 118 GLU H H 84 8.369 8.369 7.928 0.441 17705 5824 1 14 . 1 1 119 119 LEU N N 85 128.104 128.104 122.612 5.492 17705 5825 1 14 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.131 0.419 17705 5826 1 14 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.846 -5.059 17705 5827 1 14 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.911 -2.023 17705 5828 1 14 . 1 1 119 119 LEU H H 85 9.356 9.356 8.644 0.712 17705 5829 1 14 . 1 1 120 120 ARG N N 86 121.349 121.349 120.056 1.293 17705 5830 1 14 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.132 0.022 17705 5831 1 14 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.838 -2.189 17705 5832 1 14 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.842 -4.267 17705 5833 1 14 . 1 1 120 120 ARG H H 86 7.677 7.677 8.136 -0.459 17705 5834 1 14 . 1 1 121 121 VAL N N 87 126.888 126.888 122.418 4.470 17705 5835 1 14 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.992 0.149 17705 5836 1 14 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.736 -2.211 17705 5837 1 14 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.273 -3.340 17705 5838 1 14 . 1 1 121 121 VAL H H 87 9.435 9.435 8.849 0.586 17705 5839 1 14 . 1 1 122 122 GLN N N 88 122.184 122.184 121.743 0.441 17705 5840 1 14 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.669 0.266 17705 5841 1 14 . 1 1 122 122 GLN CA C 88 50.990 50.990 54.180 -3.190 17705 5842 1 14 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.957 -0.597 17705 5843 1 14 . 1 1 122 122 GLN H H 88 8.520 8.520 9.198 -0.678 17705 5844 1 14 . 1 1 123 123 MET N N 89 122.187 122.187 121.771 0.416 17705 5845 1 14 . 1 1 123 123 MET HA H 89 4.660 4.660 4.308 0.352 17705 5846 1 14 . 1 1 123 123 MET CB C 89 29.398 29.398 32.008 -2.611 17705 5847 1 14 . 1 1 123 123 MET H H 89 8.699 8.699 8.991 -0.292 17705 5848 1 14 . 1 1 124 124 ALA N N 90 127.406 127.406 125.958 1.448 17705 5849 1 14 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.212 0.237 17705 5850 1 14 . 1 1 124 124 ALA CA C 90 49.582 49.582 53.384 -3.802 17705 5851 1 14 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.941 -2.143 17705 5852 1 14 . 1 1 124 124 ALA H H 90 8.592 8.592 8.666 -0.074 17705 5853 1 14 . 1 1 125 125 ARG N N 91 119.981 119.981 112.960 7.021 17705 5854 1 14 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.890 0.429 17705 5855 1 14 . 1 1 125 125 ARG CA C 91 53.218 53.218 58.010 -4.792 17705 5856 1 14 . 1 1 125 125 ARG CB C 91 28.634 28.634 28.801 -0.167 17705 5857 1 14 . 1 1 125 125 ARG H H 91 8.299 8.299 8.298 0.001 17705 5858 1 14 . 1 1 126 126 TYR N N 92 121.757 121.757 118.885 2.872 17705 5859 1 14 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.531 -0.065 17705 5860 1 14 . 1 1 126 126 TYR CA C 92 55.090 55.090 59.312 -4.222 17705 5861 1 14 . 1 1 126 126 TYR CB C 92 36.470 36.470 37.827 -1.357 17705 5862 1 14 . 1 1 126 126 TYR H H 92 8.182 8.182 8.395 -0.213 17705 5863 1 14 . 1 1 127 127 GLY N N 93 110.707 110.707 106.817 3.890 17705 5864 1 14 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.174 -2.832 17705 5865 1 14 . 1 1 127 127 GLY H H 93 7.969 7.969 7.969 0.000 17705 5866 1 14 . 1 1 128 128 ARG N N 94 121.504 121.504 118.246 3.258 17705 5867 1 14 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.048 0.417 17705 5868 1 14 . 1 1 128 128 ARG CA C 94 51.049 51.049 56.107 -5.058 17705 5869 1 14 . 1 1 128 128 ARG H H 94 7.930 7.930 7.607 0.323 17705 5870 1 14 . 1 1 131 131 ASP N N 97 120.004 120.004 115.713 4.291 17705 5871 1 14 . 1 1 131 131 ASP H H 97 8.289 8.289 8.586 -0.297 17705 5872 1 14 . 1 1 132 132 SER N N 98 115.594 115.594 112.088 3.506 17705 5873 1 14 . 1 1 132 132 SER HA H 98 4.348 4.348 4.744 -0.396 17705 5874 1 14 . 1 1 132 132 SER CB C 98 61.181 61.181 64.283 -3.102 17705 5875 1 14 . 1 1 132 132 SER H H 98 8.128 8.128 7.399 0.729 17705 5876 1 14 . 1 1 133 133 HIS CB C 99 27.069 27.069 29.058 -1.989 17705 5877 1 14 . 1 1 133 133 HIS H H 99 8.290 8.290 8.629 -0.339 17705 5878 1 14 . 1 1 134 134 HIS N N 100 120.371 120.371 118.210 2.161 17705 5879 1 14 . 1 1 134 134 HIS CB C 100 27.050 27.050 29.326 -2.276 17705 5880 1 14 . 1 1 134 134 HIS H H 100 7.251 7.251 7.789 -0.538 17705 5881 1 15 . 1 1 36 36 SER N N 2 116.240 116.240 117.626 -1.386 17705 5882 1 15 . 1 1 36 36 SER HA H 2 4.389 4.389 5.387 -0.998 17705 5883 1 15 . 1 1 36 36 SER CB C 2 61.141 61.141 65.716 -4.575 17705 5884 1 15 . 1 1 36 36 SER H H 2 8.111 8.111 8.922 -0.811 17705 5885 1 15 . 1 1 37 37 TYR N N 3 121.776 121.776 118.259 3.517 17705 5886 1 15 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.374 -0.829 17705 5887 1 15 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.083 -1.788 17705 5888 1 15 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.540 -3.427 17705 5889 1 15 . 1 1 37 37 TYR H H 3 8.062 8.062 8.781 -0.719 17705 5890 1 15 . 1 1 38 38 GLY N N 4 110.102 110.102 108.533 1.569 17705 5891 1 15 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.312 -1.734 17705 5892 1 15 . 1 1 38 38 GLY H H 4 8.221 8.221 8.378 -0.157 17705 5893 1 15 . 1 1 39 39 ARG N N 5 121.307 121.307 121.446 -0.139 17705 5894 1 15 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.485 0.097 17705 5895 1 15 . 1 1 39 39 ARG CA C 5 51.020 51.020 55.371 -4.351 17705 5896 1 15 . 1 1 39 39 ARG CB C 5 27.731 27.731 30.219 -2.488 17705 5897 1 15 . 1 1 39 39 ARG H H 5 7.967 7.967 8.349 -0.382 17705 5898 1 15 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.507 -0.176 17705 5899 1 15 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.849 -2.330 17705 5900 1 15 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.322 -4.032 17705 5901 1 15 . 1 1 43 43 ASP N N 9 119.234 119.234 116.521 2.713 17705 5902 1 15 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.693 -0.151 17705 5903 1 15 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.714 -4.295 17705 5904 1 15 . 1 1 43 43 ASP H H 9 8.260 8.260 8.241 0.019 17705 5905 1 15 . 1 1 44 44 VAL N N 10 119.005 119.005 113.899 5.106 17705 5906 1 15 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.683 0.348 17705 5907 1 15 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.823 -3.755 17705 5908 1 15 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.814 -0.966 17705 5909 1 15 . 1 1 44 44 VAL H H 10 7.903 7.903 7.850 0.053 17705 5910 1 15 . 1 1 45 45 GLU N N 11 122.556 122.556 120.444 2.112 17705 5911 1 15 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.170 -0.038 17705 5912 1 15 . 1 1 45 45 GLU CA C 11 54.758 54.758 58.287 -3.529 17705 5913 1 15 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.244 -2.034 17705 5914 1 15 . 1 1 45 45 GLU H H 11 8.304 8.304 8.936 -0.632 17705 5915 1 15 . 1 1 46 46 GLY N N 12 108.250 108.250 103.906 4.344 17705 5916 1 15 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.493 -1.721 17705 5917 1 15 . 1 1 46 46 GLY H H 12 8.187 8.187 8.146 0.041 17705 5918 1 15 . 1 1 47 47 MET N N 13 118.678 118.678 117.715 0.963 17705 5919 1 15 . 1 1 47 47 MET HA H 13 4.606 4.606 5.173 -0.567 17705 5920 1 15 . 1 1 47 47 MET CB C 13 30.713 30.713 36.909 -6.196 17705 5921 1 15 . 1 1 47 47 MET H H 13 7.798 7.798 7.539 0.259 17705 5922 1 15 . 1 1 48 48 THR N N 14 116.971 116.971 114.281 2.690 17705 5923 1 15 . 1 1 48 48 THR HA H 14 4.469 4.469 4.617 -0.148 17705 5924 1 15 . 1 1 48 48 THR CA C 14 60.072 60.072 62.570 -2.498 17705 5925 1 15 . 1 1 48 48 THR CB C 14 67.533 67.533 71.461 -3.928 17705 5926 1 15 . 1 1 48 48 THR H H 14 8.693 8.693 8.522 0.171 17705 5927 1 15 . 1 1 49 49 SER N N 15 121.549 121.549 119.361 2.188 17705 5928 1 15 . 1 1 49 49 SER HA H 15 5.369 5.369 5.032 0.337 17705 5929 1 15 . 1 1 49 49 SER CA C 15 55.530 55.530 58.375 -2.845 17705 5930 1 15 . 1 1 49 49 SER CB C 15 62.465 62.465 63.985 -1.520 17705 5931 1 15 . 1 1 49 49 SER H H 15 8.813 8.813 7.686 1.127 17705 5932 1 15 . 1 1 50 50 LEU N N 16 122.760 122.760 123.369 -0.609 17705 5933 1 15 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.521 0.594 17705 5934 1 15 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.922 -3.725 17705 5935 1 15 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.603 -2.982 17705 5936 1 15 . 1 1 50 50 LEU H H 16 9.287 9.287 8.220 1.067 17705 5937 1 15 . 1 1 51 51 LYS N N 17 123.384 123.384 123.440 -0.056 17705 5938 1 15 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.467 -0.673 17705 5939 1 15 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.270 -1.689 17705 5940 1 15 . 1 1 51 51 LYS CB C 17 32.253 32.253 36.233 -3.980 17705 5941 1 15 . 1 1 51 51 LYS H H 17 9.240 9.240 8.716 0.524 17705 5942 1 15 . 1 1 52 52 VAL N N 18 129.496 129.496 125.791 3.705 17705 5943 1 15 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.732 0.033 17705 5944 1 15 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.680 -2.450 17705 5945 1 15 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.500 -4.747 17705 5946 1 15 . 1 1 52 52 VAL H H 18 9.194 9.194 7.948 1.246 17705 5947 1 15 . 1 1 53 53 ASP N N 19 126.148 126.148 123.871 2.277 17705 5948 1 15 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.158 0.140 17705 5949 1 15 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.560 -2.497 17705 5950 1 15 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.845 -2.112 17705 5951 1 15 . 1 1 53 53 ASP H H 19 9.382 9.382 8.813 0.569 17705 5952 1 15 . 1 1 54 54 ASN N N 20 113.840 113.840 117.356 -3.516 17705 5953 1 15 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.633 -0.175 17705 5954 1 15 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.235 -3.108 17705 5955 1 15 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.263 -3.213 17705 5956 1 15 . 1 1 54 54 ASN H H 20 8.736 8.736 8.692 0.044 17705 5957 1 15 . 1 1 55 55 LEU N N 21 115.267 115.267 122.842 -7.575 17705 5958 1 15 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.699 -0.310 17705 5959 1 15 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.340 -2.171 17705 5960 1 15 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.310 -4.135 17705 5961 1 15 . 1 1 55 55 LEU H H 21 7.661 7.661 8.504 -0.843 17705 5962 1 15 . 1 1 56 56 THR N N 22 111.721 111.721 113.870 -2.149 17705 5963 1 15 . 1 1 56 56 THR CB C 22 68.066 68.066 70.003 -1.937 17705 5964 1 15 . 1 1 56 56 THR H H 22 8.377 8.377 8.469 -0.092 17705 5965 1 15 . 1 1 57 57 TYR N N 23 122.454 122.454 118.416 4.038 17705 5966 1 15 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.157 0.151 17705 5967 1 15 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.070 -2.493 17705 5968 1 15 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.338 -1.945 17705 5969 1 15 . 1 1 57 57 TYR H H 23 8.601 8.601 7.988 0.613 17705 5970 1 15 . 1 1 58 58 ARG N N 24 114.958 114.958 118.262 -3.304 17705 5971 1 15 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.269 -0.055 17705 5972 1 15 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.525 -2.254 17705 5973 1 15 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.985 -3.597 17705 5974 1 15 . 1 1 58 58 ARG H H 24 7.366 7.366 7.946 -0.580 17705 5975 1 15 . 1 1 59 59 THR N N 25 119.016 119.016 115.458 3.558 17705 5976 1 15 . 1 1 59 59 THR HA H 25 4.037 4.037 4.139 -0.102 17705 5977 1 15 . 1 1 59 59 THR CA C 25 62.031 62.031 64.647 -2.616 17705 5978 1 15 . 1 1 59 59 THR CB C 25 65.705 65.705 68.803 -3.098 17705 5979 1 15 . 1 1 59 59 THR H H 25 7.356 7.356 8.034 -0.678 17705 5980 1 15 . 1 1 60 60 SER N N 26 124.554 124.554 113.960 10.594 17705 5981 1 15 . 1 1 60 60 SER HA H 26 4.834 4.834 4.208 0.626 17705 5982 1 15 . 1 1 60 60 SER CA C 26 52.978 52.978 58.313 -5.335 17705 5983 1 15 . 1 1 60 60 SER CB C 26 61.637 61.637 62.970 -1.333 17705 5984 1 15 . 1 1 60 60 SER H H 26 8.404 8.404 7.822 0.582 17705 5985 1 15 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.285 -0.244 17705 5986 1 15 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.248 -2.171 17705 5987 1 15 . 1 1 62 62 ASP N N 28 115.821 115.821 118.650 -2.829 17705 5988 1 15 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.460 -0.087 17705 5989 1 15 . 1 1 62 62 ASP CA C 28 54.581 54.581 58.015 -3.434 17705 5990 1 15 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.215 -2.000 17705 5991 1 15 . 1 1 62 62 ASP H H 28 8.022 8.022 8.744 -0.722 17705 5992 1 15 . 1 1 63 63 THR N N 29 118.403 118.403 117.024 1.379 17705 5993 1 15 . 1 1 63 63 THR HA H 29 3.898 3.898 4.118 -0.220 17705 5994 1 15 . 1 1 63 63 THR CA C 29 63.704 63.704 65.846 -2.142 17705 5995 1 15 . 1 1 63 63 THR CB C 29 65.555 65.555 68.818 -3.263 17705 5996 1 15 . 1 1 63 63 THR H H 29 7.791 7.791 7.628 0.163 17705 5997 1 15 . 1 1 64 64 LEU N N 30 119.247 119.247 121.293 -2.046 17705 5998 1 15 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.194 -0.156 17705 5999 1 15 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.800 -2.700 17705 6000 1 15 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.599 -1.797 17705 6001 1 15 . 1 1 64 64 LEU H H 30 7.607 7.607 7.647 -0.040 17705 6002 1 15 . 1 1 65 65 ARG N N 31 118.798 118.798 119.445 -0.647 17705 6003 1 15 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.111 -0.471 17705 6004 1 15 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.007 -0.692 17705 6005 1 15 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.849 -2.295 17705 6006 1 15 . 1 1 65 65 ARG H H 31 8.547 8.547 8.020 0.527 17705 6007 1 15 . 1 1 66 66 ARG N N 32 116.038 116.038 117.549 -1.511 17705 6008 1 15 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.339 -0.277 17705 6009 1 15 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.437 -1.751 17705 6010 1 15 . 1 1 66 66 ARG H H 32 7.732 7.732 7.659 0.073 17705 6011 1 15 . 1 1 67 67 VAL N N 33 115.825 115.825 118.252 -2.427 17705 6012 1 15 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.917 -0.073 17705 6013 1 15 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.540 -1.810 17705 6014 1 15 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.406 -2.916 17705 6015 1 15 . 1 1 67 67 VAL H H 33 7.837 7.837 7.673 0.164 17705 6016 1 15 . 1 1 68 68 PHE N N 34 116.175 116.175 116.521 -0.346 17705 6017 1 15 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.915 -0.418 17705 6018 1 15 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.592 0.662 17705 6019 1 15 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.294 -5.034 17705 6020 1 15 . 1 1 68 68 PHE H H 34 8.194 8.194 7.661 0.533 17705 6021 1 15 . 1 1 69 69 GLU N N 35 119.377 119.377 121.251 -1.874 17705 6022 1 15 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.187 0.862 17705 6023 1 15 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.983 -4.072 17705 6024 1 15 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.811 -2.589 17705 6025 1 15 . 1 1 69 69 GLU H H 35 8.669 8.669 8.862 -0.193 17705 6026 1 15 . 1 1 70 70 LYS N N 36 118.371 118.371 119.411 -1.040 17705 6027 1 15 . 1 1 70 70 LYS HA H 36 3.872 3.872 3.988 -0.116 17705 6028 1 15 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.413 -2.933 17705 6029 1 15 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.376 -2.156 17705 6030 1 15 . 1 1 70 70 LYS H H 36 6.866 6.866 8.248 -1.382 17705 6031 1 15 . 1 1 71 71 TYR N N 37 115.053 115.053 118.237 -3.184 17705 6032 1 15 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.340 -0.027 17705 6033 1 15 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.877 -3.747 17705 6034 1 15 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.069 -2.307 17705 6035 1 15 . 1 1 71 71 TYR H H 37 7.637 7.637 7.773 -0.136 17705 6036 1 15 . 1 1 72 72 GLY N N 38 104.732 104.732 105.902 -1.170 17705 6037 1 15 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.354 -3.661 17705 6038 1 15 . 1 1 72 72 GLY H H 38 7.353 7.353 7.984 -0.631 17705 6039 1 15 . 1 1 73 73 ARG N N 39 115.823 115.823 119.104 -3.281 17705 6040 1 15 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.466 -0.140 17705 6041 1 15 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.821 -0.257 17705 6042 1 15 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.186 -5.335 17705 6043 1 15 . 1 1 73 73 ARG H H 39 7.975 7.975 8.162 -0.187 17705 6044 1 15 . 1 1 74 74 VAL N N 40 129.287 129.287 120.502 8.785 17705 6045 1 15 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.490 0.201 17705 6046 1 15 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.773 -1.496 17705 6047 1 15 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.417 -2.699 17705 6048 1 15 . 1 1 74 74 VAL H H 40 8.826 8.826 8.482 0.344 17705 6049 1 15 . 1 1 75 75 GLY N N 41 115.247 115.247 114.910 0.337 17705 6050 1 15 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.938 -2.728 17705 6051 1 15 . 1 1 75 75 GLY H H 41 9.023 9.023 8.166 0.857 17705 6052 1 15 . 1 1 76 76 ASP N N 42 117.313 117.313 118.769 -1.456 17705 6053 1 15 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.836 -0.189 17705 6054 1 15 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.615 -3.034 17705 6055 1 15 . 1 1 76 76 ASP H H 42 7.375 7.375 8.149 -0.774 17705 6056 1 15 . 1 1 77 77 VAL N N 43 121.209 121.209 122.911 -1.702 17705 6057 1 15 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.327 0.316 17705 6058 1 15 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.785 -1.744 17705 6059 1 15 . 1 1 77 77 VAL H H 43 7.799 7.799 8.492 -0.693 17705 6060 1 15 . 1 1 78 78 TYR N N 44 127.478 127.478 126.424 1.054 17705 6061 1 15 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.812 0.242 17705 6062 1 15 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.461 -3.567 17705 6063 1 15 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.037 -2.263 17705 6064 1 15 . 1 1 78 78 TYR H H 44 9.056 9.056 8.093 0.963 17705 6065 1 15 . 1 1 79 79 ILE N N 45 128.848 128.848 119.852 8.996 17705 6066 1 15 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.269 0.128 17705 6067 1 15 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.156 -1.501 17705 6068 1 15 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.802 -3.432 17705 6069 1 15 . 1 1 79 79 ILE H H 45 8.484 8.484 8.488 -0.004 17705 6070 1 15 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.711 -0.652 17705 6071 1 15 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.331 -2.570 17705 6072 1 15 . 1 1 81 81 ARG N N 47 119.796 119.796 120.156 -0.360 17705 6073 1 15 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.188 0.248 17705 6074 1 15 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.730 -0.756 17705 6075 1 15 . 1 1 81 81 ARG H H 47 8.131 8.131 7.947 0.184 17705 6076 1 15 . 1 1 82 82 ASP N N 48 122.427 122.427 120.111 2.316 17705 6077 1 15 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.419 0.018 17705 6078 1 15 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.720 -4.072 17705 6079 1 15 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.188 -0.834 17705 6080 1 15 . 1 1 82 82 ASP H H 48 8.511 8.511 8.198 0.313 17705 6081 1 15 . 1 1 83 83 ARG N N 49 124.150 124.150 118.781 5.369 17705 6082 1 15 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.473 -0.474 17705 6083 1 15 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.159 -3.501 17705 6084 1 15 . 1 1 83 83 ARG H H 49 8.546 8.546 8.491 0.055 17705 6085 1 15 . 1 1 84 84 TYR N N 50 118.236 118.236 115.852 2.384 17705 6086 1 15 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.840 -0.187 17705 6087 1 15 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.993 -3.061 17705 6088 1 15 . 1 1 84 84 TYR H H 50 8.376 8.376 7.555 0.821 17705 6089 1 15 . 1 1 85 85 THR N N 51 111.445 111.445 111.892 -0.447 17705 6090 1 15 . 1 1 85 85 THR HA H 51 4.306 4.306 4.545 -0.239 17705 6091 1 15 . 1 1 85 85 THR CA C 51 59.280 59.280 60.875 -1.595 17705 6092 1 15 . 1 1 85 85 THR CB C 51 67.748 67.748 71.575 -3.827 17705 6093 1 15 . 1 1 85 85 THR H H 51 8.790 8.790 7.253 1.537 17705 6094 1 15 . 1 1 86 86 LYS N N 52 115.778 115.778 120.075 -4.297 17705 6095 1 15 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.605 -0.619 17705 6096 1 15 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.620 -0.430 17705 6097 1 15 . 1 1 86 86 LYS H H 52 7.947 7.947 8.654 -0.707 17705 6098 1 15 . 1 1 87 87 GLU N N 53 118.931 118.931 116.846 2.085 17705 6099 1 15 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.779 -0.457 17705 6100 1 15 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.904 -3.543 17705 6101 1 15 . 1 1 87 87 GLU H H 53 7.881 7.881 7.589 0.292 17705 6102 1 15 . 1 1 88 88 SER N N 54 116.268 116.268 113.008 3.260 17705 6103 1 15 . 1 1 88 88 SER HA H 54 4.324 4.324 4.897 -0.573 17705 6104 1 15 . 1 1 88 88 SER CA C 54 55.543 55.543 56.335 -0.792 17705 6105 1 15 . 1 1 88 88 SER CB C 54 61.291 61.291 64.933 -3.642 17705 6106 1 15 . 1 1 88 88 SER H H 54 8.472 8.472 8.348 0.124 17705 6107 1 15 . 1 1 89 89 ARG N N 55 121.084 121.084 122.127 -1.043 17705 6108 1 15 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.366 -0.033 17705 6109 1 15 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.501 -2.262 17705 6110 1 15 . 1 1 89 89 ARG H H 55 8.121 8.121 8.714 -0.593 17705 6111 1 15 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.688 -1.493 17705 6112 1 15 . 1 1 90 90 GLY H H 56 8.334 8.334 7.917 0.417 17705 6113 1 15 . 1 1 91 91 PHE N N 57 113.361 113.361 115.399 -2.038 17705 6114 1 15 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.059 0.604 17705 6115 1 15 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.377 -3.493 17705 6116 1 15 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.390 -0.930 17705 6117 1 15 . 1 1 91 91 PHE H H 57 6.980 6.980 7.287 -0.307 17705 6118 1 15 . 1 1 92 92 ALA N N 58 118.350 118.350 123.025 -4.675 17705 6119 1 15 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.039 0.777 17705 6120 1 15 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.764 -3.595 17705 6121 1 15 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.095 2.186 17705 6122 1 15 . 1 1 92 92 ALA H H 58 8.854 8.854 8.142 0.712 17705 6123 1 15 . 1 1 93 93 PHE N N 59 116.210 116.210 118.869 -2.659 17705 6124 1 15 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.709 1.082 17705 6125 1 15 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.377 -2.639 17705 6126 1 15 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.001 -2.075 17705 6127 1 15 . 1 1 93 93 PHE H H 59 9.011 9.011 8.042 0.969 17705 6128 1 15 . 1 1 94 94 VAL N N 60 123.082 123.082 121.637 1.445 17705 6129 1 15 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.376 -0.029 17705 6130 1 15 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.700 -3.004 17705 6131 1 15 . 1 1 94 94 VAL CB C 60 31.593 31.593 33.111 -1.518 17705 6132 1 15 . 1 1 94 94 VAL H H 60 8.878 8.878 7.619 1.259 17705 6133 1 15 . 1 1 95 95 ARG N N 61 125.689 125.689 125.592 0.097 17705 6134 1 15 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.369 -0.137 17705 6135 1 15 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.466 -2.281 17705 6136 1 15 . 1 1 95 95 ARG H H 61 8.649 8.649 9.099 -0.450 17705 6137 1 15 . 1 1 96 96 PHE N N 62 123.552 123.552 123.584 -0.032 17705 6138 1 15 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.703 0.126 17705 6139 1 15 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.180 -0.181 17705 6140 1 15 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.520 -2.037 17705 6141 1 15 . 1 1 96 96 PHE H H 62 9.152 9.152 8.535 0.617 17705 6142 1 15 . 1 1 97 97 HIS N N 63 119.487 119.487 118.900 0.587 17705 6143 1 15 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.627 -0.226 17705 6144 1 15 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.526 -3.110 17705 6145 1 15 . 1 1 97 97 HIS H H 63 7.904 7.904 8.062 -0.158 17705 6146 1 15 . 1 1 98 98 ASP N N 64 119.624 119.624 119.951 -0.327 17705 6147 1 15 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.894 0.138 17705 6148 1 15 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.089 -2.851 17705 6149 1 15 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.593 -1.023 17705 6150 1 15 . 1 1 98 98 ASP H H 64 9.103 9.103 7.984 1.119 17705 6151 1 15 . 1 1 99 99 LYS N N 65 127.479 127.479 125.847 1.632 17705 6152 1 15 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.160 -0.300 17705 6153 1 15 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.758 -1.634 17705 6154 1 15 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.261 -1.976 17705 6155 1 15 . 1 1 99 99 LYS H H 65 8.743 8.743 8.834 -0.091 17705 6156 1 15 . 1 1 100 100 ARG N N 66 118.795 118.795 118.857 -0.062 17705 6157 1 15 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.467 -0.404 17705 6158 1 15 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.258 -2.197 17705 6159 1 15 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.576 -2.803 17705 6160 1 15 . 1 1 100 100 ARG H H 66 8.604 8.604 8.862 -0.258 17705 6161 1 15 . 1 1 101 101 ASP N N 67 119.686 119.686 119.716 -0.030 17705 6162 1 15 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.679 -0.477 17705 6163 1 15 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.090 -2.872 17705 6164 1 15 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.651 -2.577 17705 6165 1 15 . 1 1 101 101 ASP H H 67 7.105 7.105 7.941 -0.836 17705 6166 1 15 . 1 1 102 102 ALA N N 68 119.709 119.709 123.209 -3.500 17705 6167 1 15 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.657 -0.831 17705 6168 1 15 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.907 -3.228 17705 6169 1 15 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.488 -2.898 17705 6170 1 15 . 1 1 102 102 ALA H H 68 6.848 6.848 8.019 -1.171 17705 6171 1 15 . 1 1 103 103 GLU N N 69 117.431 117.431 119.807 -2.376 17705 6172 1 15 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.884 -0.229 17705 6173 1 15 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.941 -2.772 17705 6174 1 15 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.536 -3.036 17705 6175 1 15 . 1 1 103 103 GLU H H 69 8.008 8.008 8.348 -0.340 17705 6176 1 15 . 1 1 104 104 ASP N N 70 120.512 120.512 118.862 1.650 17705 6177 1 15 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.393 -0.127 17705 6178 1 15 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.531 -3.014 17705 6179 1 15 . 1 1 104 104 ASP H H 70 8.022 8.022 7.662 0.360 17705 6180 1 15 . 1 1 105 105 ALA N N 71 122.325 122.325 122.139 0.186 17705 6181 1 15 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.661 0.124 17705 6182 1 15 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.507 -2.773 17705 6183 1 15 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.389 -1.241 17705 6184 1 15 . 1 1 105 105 ALA H H 71 8.109 8.109 7.479 0.630 17705 6185 1 15 . 1 1 106 106 MET N N 72 118.595 118.595 118.306 0.289 17705 6186 1 15 . 1 1 106 106 MET HA H 72 3.657 3.657 4.076 -0.419 17705 6187 1 15 . 1 1 106 106 MET CA C 72 57.163 57.163 58.679 -1.516 17705 6188 1 15 . 1 1 106 106 MET CB C 72 30.248 30.248 32.771 -2.523 17705 6189 1 15 . 1 1 106 106 MET H H 72 8.293 8.293 8.201 0.092 17705 6190 1 15 . 1 1 107 107 ASP N N 73 117.126 117.126 119.947 -2.821 17705 6191 1 15 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.449 -0.125 17705 6192 1 15 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.856 -1.808 17705 6193 1 15 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.850 -2.502 17705 6194 1 15 . 1 1 107 107 ASP H H 73 7.784 7.784 8.143 -0.359 17705 6195 1 15 . 1 1 108 108 ALA N N 74 117.971 117.971 117.597 0.374 17705 6196 1 15 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.440 -0.329 17705 6197 1 15 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.254 -0.880 17705 6198 1 15 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.461 -2.808 17705 6199 1 15 . 1 1 108 108 ALA H H 74 7.366 7.366 7.335 0.031 17705 6200 1 15 . 1 1 109 109 MET N N 75 112.248 112.248 114.768 -2.520 17705 6201 1 15 . 1 1 109 109 MET HA H 75 4.756 4.756 4.542 0.214 17705 6202 1 15 . 1 1 109 109 MET CA C 75 50.696 50.696 54.395 -3.699 17705 6203 1 15 . 1 1 109 109 MET H H 75 8.077 8.077 7.398 0.679 17705 6204 1 15 . 1 1 110 110 ASP N N 76 120.144 120.144 121.553 -1.409 17705 6205 1 15 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.499 -0.086 17705 6206 1 15 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.799 -0.869 17705 6207 1 15 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.756 -2.176 17705 6208 1 15 . 1 1 110 110 ASP H H 76 7.915 7.915 7.864 0.051 17705 6209 1 15 . 1 1 111 111 GLY N N 77 117.810 117.810 114.454 3.356 17705 6210 1 15 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.728 -2.880 17705 6211 1 15 . 1 1 111 111 GLY H H 77 8.680 8.680 8.614 0.066 17705 6212 1 15 . 1 1 112 112 ALA N N 78 123.748 123.748 121.596 2.152 17705 6213 1 15 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.293 0.034 17705 6214 1 15 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.593 -2.625 17705 6215 1 15 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.525 -2.046 17705 6216 1 15 . 1 1 112 112 ALA H H 78 7.918 7.918 7.571 0.347 17705 6217 1 15 . 1 1 113 113 VAL N N 79 118.622 118.622 117.654 0.968 17705 6218 1 15 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.829 0.811 17705 6219 1 15 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.641 -2.019 17705 6220 1 15 . 1 1 113 113 VAL H H 79 8.091 8.091 7.931 0.160 17705 6221 1 15 . 1 1 114 114 LEU N N 80 129.451 129.451 120.119 9.332 17705 6222 1 15 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.340 0.205 17705 6223 1 15 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.433 -4.485 17705 6224 1 15 . 1 1 114 114 LEU CB C 80 42.680 42.680 40.945 1.735 17705 6225 1 15 . 1 1 114 114 LEU H H 80 8.875 8.875 8.238 0.637 17705 6226 1 15 . 1 1 115 115 ASP N N 81 129.610 129.610 117.414 12.196 17705 6227 1 15 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.835 -0.602 17705 6228 1 15 . 1 1 115 115 ASP CA C 81 52.275 52.275 55.431 -3.156 17705 6229 1 15 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.286 -5.028 17705 6230 1 15 . 1 1 115 115 ASP H H 81 9.445 9.445 8.270 1.175 17705 6231 1 15 . 1 1 116 116 GLY N N 82 100.657 100.657 107.591 -6.934 17705 6232 1 15 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.191 -2.306 17705 6233 1 15 . 1 1 116 116 GLY H H 82 8.008 8.008 8.267 -0.259 17705 6234 1 15 . 1 1 117 117 ARG N N 83 120.179 120.179 118.353 1.826 17705 6235 1 15 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.661 -0.115 17705 6236 1 15 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.171 -5.223 17705 6237 1 15 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.656 -1.088 17705 6238 1 15 . 1 1 117 117 ARG H H 83 7.499 7.499 8.224 -0.725 17705 6239 1 15 . 1 1 118 118 GLU N N 84 121.274 121.274 119.690 1.584 17705 6240 1 15 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.311 0.008 17705 6241 1 15 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.416 -3.399 17705 6242 1 15 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.718 -2.529 17705 6243 1 15 . 1 1 118 118 GLU H H 84 8.369 8.369 8.203 0.166 17705 6244 1 15 . 1 1 119 119 LEU N N 85 128.104 128.104 121.700 6.404 17705 6245 1 15 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.087 0.463 17705 6246 1 15 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.839 -5.053 17705 6247 1 15 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.682 -1.794 17705 6248 1 15 . 1 1 119 119 LEU H H 85 9.356 9.356 8.445 0.911 17705 6249 1 15 . 1 1 120 120 ARG N N 86 121.349 121.349 120.225 1.124 17705 6250 1 15 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.064 0.090 17705 6251 1 15 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.870 -2.221 17705 6252 1 15 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.582 -4.007 17705 6253 1 15 . 1 1 120 120 ARG H H 86 7.677 7.677 8.058 -0.381 17705 6254 1 15 . 1 1 121 121 VAL N N 87 126.888 126.888 122.814 4.074 17705 6255 1 15 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.903 0.238 17705 6256 1 15 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.899 -2.374 17705 6257 1 15 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.079 -3.146 17705 6258 1 15 . 1 1 121 121 VAL H H 87 9.435 9.435 8.839 0.596 17705 6259 1 15 . 1 1 122 122 GLN N N 88 122.184 122.184 122.114 0.070 17705 6260 1 15 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.692 0.243 17705 6261 1 15 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.881 -2.891 17705 6262 1 15 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.133 -0.773 17705 6263 1 15 . 1 1 122 122 GLN H H 88 8.520 8.520 9.131 -0.611 17705 6264 1 15 . 1 1 123 123 MET N N 89 122.187 122.187 120.306 1.881 17705 6265 1 15 . 1 1 123 123 MET HA H 89 4.660 4.660 4.295 0.365 17705 6266 1 15 . 1 1 123 123 MET CB C 89 29.398 29.398 31.784 -2.386 17705 6267 1 15 . 1 1 123 123 MET H H 89 8.699 8.699 8.937 -0.238 17705 6268 1 15 . 1 1 124 124 ALA N N 90 127.406 127.406 127.128 0.278 17705 6269 1 15 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.088 0.361 17705 6270 1 15 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.385 -2.803 17705 6271 1 15 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.056 -2.258 17705 6272 1 15 . 1 1 124 124 ALA H H 90 8.592 8.592 8.673 -0.081 17705 6273 1 15 . 1 1 125 125 ARG N N 91 119.981 119.981 114.433 5.548 17705 6274 1 15 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.827 0.492 17705 6275 1 15 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.410 -4.192 17705 6276 1 15 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.858 0.776 17705 6277 1 15 . 1 1 125 125 ARG H H 91 8.299 8.299 7.907 0.392 17705 6278 1 15 . 1 1 126 126 TYR N N 92 121.757 121.757 116.477 5.280 17705 6279 1 15 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.810 -0.344 17705 6280 1 15 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.674 -1.584 17705 6281 1 15 . 1 1 126 126 TYR CB C 92 36.470 36.470 39.272 -2.802 17705 6282 1 15 . 1 1 126 126 TYR H H 92 8.182 8.182 8.042 0.140 17705 6283 1 15 . 1 1 127 127 GLY N N 93 110.707 110.707 107.006 3.701 17705 6284 1 15 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.715 -3.373 17705 6285 1 15 . 1 1 127 127 GLY H H 93 7.969 7.969 7.519 0.450 17705 6286 1 15 . 1 1 128 128 ARG N N 94 121.504 121.504 121.547 -0.043 17705 6287 1 15 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.716 -0.251 17705 6288 1 15 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.765 -2.716 17705 6289 1 15 . 1 1 128 128 ARG H H 94 7.930 7.930 8.311 -0.381 17705 6290 1 15 . 1 1 131 131 ASP N N 97 120.004 120.004 116.969 3.035 17705 6291 1 15 . 1 1 131 131 ASP H H 97 8.289 8.289 8.418 -0.129 17705 6292 1 15 . 1 1 132 132 SER N N 98 115.594 115.594 113.150 2.444 17705 6293 1 15 . 1 1 132 132 SER HA H 98 4.348 4.348 4.653 -0.305 17705 6294 1 15 . 1 1 132 132 SER CB C 98 61.181 61.181 64.120 -2.939 17705 6295 1 15 . 1 1 132 132 SER H H 98 8.128 8.128 7.583 0.545 17705 6296 1 15 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.269 -3.200 17705 6297 1 15 . 1 1 133 133 HIS H H 99 8.290 8.290 8.818 -0.528 17705 6298 1 15 . 1 1 134 134 HIS N N 100 120.371 120.371 118.312 2.059 17705 6299 1 15 . 1 1 134 134 HIS CB C 100 27.050 27.050 32.748 -5.698 17705 6300 1 15 . 1 1 134 134 HIS H H 100 7.251 7.251 7.874 -0.623 17705 6301 1 16 . 1 1 36 36 SER N N 2 116.240 116.240 115.815 0.425 17705 6302 1 16 . 1 1 36 36 SER HA H 2 4.389 4.389 4.727 -0.338 17705 6303 1 16 . 1 1 36 36 SER CB C 2 61.141 61.141 64.487 -3.346 17705 6304 1 16 . 1 1 36 36 SER H H 2 8.111 8.111 8.421 -0.310 17705 6305 1 16 . 1 1 37 37 TYR N N 3 121.776 121.776 118.411 3.365 17705 6306 1 16 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.595 -0.050 17705 6307 1 16 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.960 -2.665 17705 6308 1 16 . 1 1 37 37 TYR CB C 3 36.113 36.113 38.670 -2.557 17705 6309 1 16 . 1 1 37 37 TYR H H 3 8.062 8.062 7.884 0.178 17705 6310 1 16 . 1 1 38 38 GLY N N 4 110.102 110.102 107.076 3.026 17705 6311 1 16 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.029 -1.451 17705 6312 1 16 . 1 1 38 38 GLY H H 4 8.221 8.221 7.589 0.632 17705 6313 1 16 . 1 1 39 39 ARG N N 5 121.307 121.307 120.363 0.944 17705 6314 1 16 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.745 -0.163 17705 6315 1 16 . 1 1 39 39 ARG CA C 5 51.020 51.020 54.239 -3.219 17705 6316 1 16 . 1 1 39 39 ARG CB C 5 27.731 27.731 30.875 -3.144 17705 6317 1 16 . 1 1 39 39 ARG H H 5 7.967 7.967 8.509 -0.542 17705 6318 1 16 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.642 -0.311 17705 6319 1 16 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.882 -2.362 17705 6320 1 16 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.035 -3.745 17705 6321 1 16 . 1 1 43 43 ASP N N 9 119.234 119.234 117.236 1.998 17705 6322 1 16 . 1 1 43 43 ASP HA H 9 4.542 4.542 5.011 -0.469 17705 6323 1 16 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.642 -4.223 17705 6324 1 16 . 1 1 43 43 ASP H H 9 8.260 8.260 8.456 -0.196 17705 6325 1 16 . 1 1 44 44 VAL N N 10 119.005 119.005 117.745 1.260 17705 6326 1 16 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.888 0.143 17705 6327 1 16 . 1 1 44 44 VAL CA C 10 60.068 60.068 64.469 -4.402 17705 6328 1 16 . 1 1 44 44 VAL CB C 10 29.848 29.848 31.611 -1.763 17705 6329 1 16 . 1 1 44 44 VAL H H 10 7.903 7.903 7.965 -0.062 17705 6330 1 16 . 1 1 45 45 GLU N N 11 122.556 122.556 121.012 1.544 17705 6331 1 16 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.188 -0.056 17705 6332 1 16 . 1 1 45 45 GLU CA C 11 54.758 54.758 58.300 -3.542 17705 6333 1 16 . 1 1 45 45 GLU CB C 11 27.210 27.210 28.929 -1.719 17705 6334 1 16 . 1 1 45 45 GLU H H 11 8.304 8.304 8.742 -0.438 17705 6335 1 16 . 1 1 46 46 GLY N N 12 108.250 108.250 105.112 3.138 17705 6336 1 16 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.056 -2.284 17705 6337 1 16 . 1 1 46 46 GLY H H 12 8.187 8.187 7.979 0.208 17705 6338 1 16 . 1 1 47 47 MET N N 13 118.678 118.678 120.652 -1.974 17705 6339 1 16 . 1 1 47 47 MET HA H 13 4.606 4.606 5.093 -0.487 17705 6340 1 16 . 1 1 47 47 MET CB C 13 30.713 30.713 35.721 -5.008 17705 6341 1 16 . 1 1 47 47 MET H H 13 7.798 7.798 7.386 0.412 17705 6342 1 16 . 1 1 48 48 THR N N 14 116.971 116.971 116.990 -0.019 17705 6343 1 16 . 1 1 48 48 THR HA H 14 4.469 4.469 4.751 -0.282 17705 6344 1 16 . 1 1 48 48 THR CA C 14 60.072 60.072 60.950 -0.879 17705 6345 1 16 . 1 1 48 48 THR CB C 14 67.533 67.533 71.926 -4.393 17705 6346 1 16 . 1 1 48 48 THR H H 14 8.693 8.693 8.197 0.496 17705 6347 1 16 . 1 1 49 49 SER N N 15 121.549 121.549 113.402 8.147 17705 6348 1 16 . 1 1 49 49 SER HA H 15 5.369 5.369 4.539 0.830 17705 6349 1 16 . 1 1 49 49 SER CA C 15 55.530 55.530 59.137 -3.607 17705 6350 1 16 . 1 1 49 49 SER CB C 15 62.465 62.465 63.549 -1.084 17705 6351 1 16 . 1 1 49 49 SER H H 15 8.813 8.813 8.530 0.283 17705 6352 1 16 . 1 1 50 50 LEU N N 16 122.760 122.760 124.687 -1.927 17705 6353 1 16 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.490 0.625 17705 6354 1 16 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.547 -3.350 17705 6355 1 16 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.793 -3.172 17705 6356 1 16 . 1 1 50 50 LEU H H 16 9.287 9.287 8.369 0.918 17705 6357 1 16 . 1 1 51 51 LYS N N 17 123.384 123.384 123.415 -0.031 17705 6358 1 16 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.253 -0.459 17705 6359 1 16 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.515 -1.934 17705 6360 1 16 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.815 -3.562 17705 6361 1 16 . 1 1 51 51 LYS H H 17 9.240 9.240 8.842 0.398 17705 6362 1 16 . 1 1 52 52 VAL N N 18 129.496 129.496 125.211 4.285 17705 6363 1 16 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.732 0.033 17705 6364 1 16 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.583 -2.353 17705 6365 1 16 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.819 -5.066 17705 6366 1 16 . 1 1 52 52 VAL H H 18 9.194 9.194 7.961 1.233 17705 6367 1 16 . 1 1 53 53 ASP N N 19 126.148 126.148 124.494 1.654 17705 6368 1 16 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.037 0.261 17705 6369 1 16 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.916 -1.853 17705 6370 1 16 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.783 -2.050 17705 6371 1 16 . 1 1 53 53 ASP H H 19 9.382 9.382 8.859 0.523 17705 6372 1 16 . 1 1 54 54 ASN N N 20 113.840 113.840 117.620 -3.780 17705 6373 1 16 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.656 -0.198 17705 6374 1 16 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.192 -3.065 17705 6375 1 16 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.259 -3.209 17705 6376 1 16 . 1 1 54 54 ASN H H 20 8.736 8.736 8.714 0.022 17705 6377 1 16 . 1 1 55 55 LEU N N 21 115.267 115.267 122.774 -7.507 17705 6378 1 16 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.734 -0.345 17705 6379 1 16 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.623 -2.454 17705 6380 1 16 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.670 -4.495 17705 6381 1 16 . 1 1 55 55 LEU H H 21 7.661 7.661 8.671 -1.010 17705 6382 1 16 . 1 1 56 56 THR N N 22 111.721 111.721 115.854 -4.133 17705 6383 1 16 . 1 1 56 56 THR CB C 22 68.066 68.066 69.073 -1.007 17705 6384 1 16 . 1 1 56 56 THR H H 22 8.377 8.377 8.644 -0.267 17705 6385 1 16 . 1 1 57 57 TYR N N 23 122.454 122.454 117.703 4.751 17705 6386 1 16 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.198 0.110 17705 6387 1 16 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.373 -2.796 17705 6388 1 16 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.236 -1.843 17705 6389 1 16 . 1 1 57 57 TYR H H 23 8.601 8.601 7.770 0.831 17705 6390 1 16 . 1 1 58 58 ARG N N 24 114.958 114.958 118.727 -3.769 17705 6391 1 16 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.309 -0.095 17705 6392 1 16 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.788 -2.517 17705 6393 1 16 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.888 -3.500 17705 6394 1 16 . 1 1 58 58 ARG H H 24 7.366 7.366 7.979 -0.613 17705 6395 1 16 . 1 1 59 59 THR N N 25 119.016 119.016 116.871 2.145 17705 6396 1 16 . 1 1 59 59 THR HA H 25 4.037 4.037 4.104 -0.067 17705 6397 1 16 . 1 1 59 59 THR CA C 25 62.031 62.031 65.638 -3.607 17705 6398 1 16 . 1 1 59 59 THR CB C 25 65.705 65.705 68.593 -2.888 17705 6399 1 16 . 1 1 59 59 THR H H 25 7.356 7.356 8.268 -0.912 17705 6400 1 16 . 1 1 60 60 SER N N 26 124.554 124.554 113.765 10.789 17705 6401 1 16 . 1 1 60 60 SER HA H 26 4.834 4.834 4.232 0.602 17705 6402 1 16 . 1 1 60 60 SER CA C 26 52.978 52.978 59.350 -6.372 17705 6403 1 16 . 1 1 60 60 SER CB C 26 61.637 61.637 62.573 -0.936 17705 6404 1 16 . 1 1 60 60 SER H H 26 8.404 8.404 7.855 0.549 17705 6405 1 16 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.220 -0.179 17705 6406 1 16 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.278 -2.201 17705 6407 1 16 . 1 1 62 62 ASP N N 28 115.821 115.821 117.466 -1.645 17705 6408 1 16 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.472 -0.099 17705 6409 1 16 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.898 -3.317 17705 6410 1 16 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.553 -2.338 17705 6411 1 16 . 1 1 62 62 ASP H H 28 8.022 8.022 8.651 -0.629 17705 6412 1 16 . 1 1 63 63 THR N N 29 118.403 118.403 117.036 1.367 17705 6413 1 16 . 1 1 63 63 THR HA H 29 3.898 3.898 4.107 -0.209 17705 6414 1 16 . 1 1 63 63 THR CA C 29 63.704 63.704 66.395 -2.691 17705 6415 1 16 . 1 1 63 63 THR CB C 29 65.555 65.555 68.697 -3.142 17705 6416 1 16 . 1 1 63 63 THR H H 29 7.791 7.791 7.687 0.104 17705 6417 1 16 . 1 1 64 64 LEU N N 30 119.247 119.247 121.284 -2.037 17705 6418 1 16 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.173 -0.135 17705 6419 1 16 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.860 -2.760 17705 6420 1 16 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.622 -1.820 17705 6421 1 16 . 1 1 64 64 LEU H H 30 7.607 7.607 7.651 -0.044 17705 6422 1 16 . 1 1 65 65 ARG N N 31 118.798 118.798 119.328 -0.530 17705 6423 1 16 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.109 -0.469 17705 6424 1 16 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.014 -0.699 17705 6425 1 16 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.869 -2.315 17705 6426 1 16 . 1 1 65 65 ARG H H 31 8.547 8.547 8.126 0.421 17705 6427 1 16 . 1 1 66 66 ARG N N 32 116.038 116.038 117.559 -1.521 17705 6428 1 16 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.340 -0.278 17705 6429 1 16 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.465 -1.778 17705 6430 1 16 . 1 1 66 66 ARG H H 32 7.732 7.732 7.738 -0.006 17705 6431 1 16 . 1 1 67 67 VAL N N 33 115.825 115.825 118.181 -2.356 17705 6432 1 16 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.929 -0.085 17705 6433 1 16 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.279 -1.549 17705 6434 1 16 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.172 -2.683 17705 6435 1 16 . 1 1 67 67 VAL H H 33 7.837 7.837 7.613 0.224 17705 6436 1 16 . 1 1 68 68 PHE N N 34 116.175 116.175 116.644 -0.469 17705 6437 1 16 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.874 -0.377 17705 6438 1 16 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.355 0.899 17705 6439 1 16 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.131 -4.871 17705 6440 1 16 . 1 1 68 68 PHE H H 34 8.194 8.194 7.682 0.512 17705 6441 1 16 . 1 1 69 69 GLU N N 35 119.377 119.377 121.154 -1.777 17705 6442 1 16 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.227 0.822 17705 6443 1 16 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.079 -4.168 17705 6444 1 16 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.791 -2.569 17705 6445 1 16 . 1 1 69 69 GLU H H 35 8.669 8.669 8.907 -0.238 17705 6446 1 16 . 1 1 70 70 LYS N N 36 118.371 118.371 119.522 -1.151 17705 6447 1 16 . 1 1 70 70 LYS HA H 36 3.872 3.872 3.999 -0.127 17705 6448 1 16 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.427 -2.948 17705 6449 1 16 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.392 -2.172 17705 6450 1 16 . 1 1 70 70 LYS H H 36 6.866 6.866 8.267 -1.401 17705 6451 1 16 . 1 1 71 71 TYR N N 37 115.053 115.053 118.122 -3.069 17705 6452 1 16 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.344 -0.031 17705 6453 1 16 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.744 -3.613 17705 6454 1 16 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.063 -2.301 17705 6455 1 16 . 1 1 71 71 TYR H H 37 7.637 7.637 7.787 -0.150 17705 6456 1 16 . 1 1 72 72 GLY N N 38 104.732 104.732 105.828 -1.096 17705 6457 1 16 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.382 -3.689 17705 6458 1 16 . 1 1 72 72 GLY H H 38 7.353 7.353 7.988 -0.635 17705 6459 1 16 . 1 1 73 73 ARG N N 39 115.823 115.823 118.924 -3.101 17705 6460 1 16 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.444 -0.118 17705 6461 1 16 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.814 -1.250 17705 6462 1 16 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.610 -5.759 17705 6463 1 16 . 1 1 73 73 ARG H H 39 7.975 7.975 8.197 -0.222 17705 6464 1 16 . 1 1 74 74 VAL N N 40 129.287 129.287 119.588 9.699 17705 6465 1 16 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.446 0.245 17705 6466 1 16 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.063 -1.786 17705 6467 1 16 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.527 -2.809 17705 6468 1 16 . 1 1 74 74 VAL H H 40 8.826 8.826 8.420 0.406 17705 6469 1 16 . 1 1 75 75 GLY N N 41 115.247 115.247 115.244 0.003 17705 6470 1 16 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.998 -2.788 17705 6471 1 16 . 1 1 75 75 GLY H H 41 9.023 9.023 8.141 0.882 17705 6472 1 16 . 1 1 76 76 ASP N N 42 117.313 117.313 118.535 -1.222 17705 6473 1 16 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.830 -0.183 17705 6474 1 16 . 1 1 76 76 ASP CB C 42 41.581 41.581 45.206 -3.625 17705 6475 1 16 . 1 1 76 76 ASP H H 42 7.375 7.375 8.079 -0.704 17705 6476 1 16 . 1 1 77 77 VAL N N 43 121.209 121.209 122.906 -1.697 17705 6477 1 16 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.333 0.310 17705 6478 1 16 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.835 -1.793 17705 6479 1 16 . 1 1 77 77 VAL H H 43 7.799 7.799 8.487 -0.688 17705 6480 1 16 . 1 1 78 78 TYR N N 44 127.478 127.478 126.466 1.012 17705 6481 1 16 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.811 0.243 17705 6482 1 16 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.509 -3.616 17705 6483 1 16 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.087 -2.313 17705 6484 1 16 . 1 1 78 78 TYR H H 44 9.056 9.056 8.088 0.968 17705 6485 1 16 . 1 1 79 79 ILE N N 45 128.848 128.848 120.015 8.833 17705 6486 1 16 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.277 0.120 17705 6487 1 16 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.161 -1.506 17705 6488 1 16 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.861 -3.491 17705 6489 1 16 . 1 1 79 79 ILE H H 45 8.484 8.484 8.497 -0.013 17705 6490 1 16 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.704 -0.645 17705 6491 1 16 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.463 -2.702 17705 6492 1 16 . 1 1 81 81 ARG N N 47 119.796 119.796 120.495 -0.699 17705 6493 1 16 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.236 0.200 17705 6494 1 16 . 1 1 81 81 ARG CB C 47 29.974 29.974 31.033 -1.059 17705 6495 1 16 . 1 1 81 81 ARG H H 47 8.131 8.131 7.893 0.238 17705 6496 1 16 . 1 1 82 82 ASP N N 48 122.427 122.427 119.562 2.865 17705 6497 1 16 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.384 0.053 17705 6498 1 16 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.834 -3.186 17705 6499 1 16 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.263 -0.909 17705 6500 1 16 . 1 1 82 82 ASP H H 48 8.511 8.511 8.204 0.307 17705 6501 1 16 . 1 1 83 83 ARG N N 49 124.150 124.150 117.722 6.428 17705 6502 1 16 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.444 -0.445 17705 6503 1 16 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.467 -3.809 17705 6504 1 16 . 1 1 83 83 ARG H H 49 8.546 8.546 8.551 -0.005 17705 6505 1 16 . 1 1 84 84 TYR N N 50 118.236 118.236 115.019 3.217 17705 6506 1 16 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.058 -0.405 17705 6507 1 16 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.946 -3.014 17705 6508 1 16 . 1 1 84 84 TYR H H 50 8.376 8.376 7.713 0.663 17705 6509 1 16 . 1 1 85 85 THR N N 51 111.445 111.445 114.550 -3.105 17705 6510 1 16 . 1 1 85 85 THR HA H 51 4.306 4.306 4.575 -0.269 17705 6511 1 16 . 1 1 85 85 THR CA C 51 59.280 59.280 60.348 -1.068 17705 6512 1 16 . 1 1 85 85 THR CB C 51 67.748 67.748 70.522 -2.774 17705 6513 1 16 . 1 1 85 85 THR H H 51 8.790 8.790 8.429 0.361 17705 6514 1 16 . 1 1 86 86 LYS N N 52 115.778 115.778 118.944 -3.166 17705 6515 1 16 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.613 -0.627 17705 6516 1 16 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.666 -0.476 17705 6517 1 16 . 1 1 86 86 LYS H H 52 7.947 7.947 8.523 -0.576 17705 6518 1 16 . 1 1 87 87 GLU N N 53 118.931 118.931 117.667 1.264 17705 6519 1 16 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.737 -0.415 17705 6520 1 16 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.701 -3.340 17705 6521 1 16 . 1 1 87 87 GLU H H 53 7.881 7.881 7.678 0.203 17705 6522 1 16 . 1 1 88 88 SER N N 54 116.268 116.268 113.359 2.909 17705 6523 1 16 . 1 1 88 88 SER HA H 54 4.324 4.324 4.820 -0.496 17705 6524 1 16 . 1 1 88 88 SER CA C 54 55.543 55.543 55.989 -0.446 17705 6525 1 16 . 1 1 88 88 SER CB C 54 61.291 61.291 64.496 -3.205 17705 6526 1 16 . 1 1 88 88 SER H H 54 8.472 8.472 8.411 0.061 17705 6527 1 16 . 1 1 89 89 ARG N N 55 121.084 121.084 120.925 0.159 17705 6528 1 16 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.388 -0.055 17705 6529 1 16 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.156 -1.917 17705 6530 1 16 . 1 1 89 89 ARG H H 55 8.121 8.121 8.590 -0.469 17705 6531 1 16 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.834 -1.639 17705 6532 1 16 . 1 1 90 90 GLY H H 56 8.334 8.334 7.982 0.352 17705 6533 1 16 . 1 1 91 91 PHE N N 57 113.361 113.361 115.213 -1.852 17705 6534 1 16 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.047 0.616 17705 6535 1 16 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.337 -3.453 17705 6536 1 16 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.543 -1.083 17705 6537 1 16 . 1 1 91 91 PHE H H 57 6.980 6.980 7.295 -0.315 17705 6538 1 16 . 1 1 92 92 ALA N N 58 118.350 118.350 123.399 -5.049 17705 6539 1 16 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.072 0.744 17705 6540 1 16 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.798 -3.629 17705 6541 1 16 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.116 2.165 17705 6542 1 16 . 1 1 92 92 ALA H H 58 8.854 8.854 8.132 0.722 17705 6543 1 16 . 1 1 93 93 PHE N N 59 116.210 116.210 118.962 -2.752 17705 6544 1 16 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.669 1.122 17705 6545 1 16 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.624 -2.885 17705 6546 1 16 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.066 -2.140 17705 6547 1 16 . 1 1 93 93 PHE H H 59 9.011 9.011 8.009 1.002 17705 6548 1 16 . 1 1 94 94 VAL N N 60 123.082 123.082 122.091 0.991 17705 6549 1 16 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.391 -0.044 17705 6550 1 16 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.947 -3.251 17705 6551 1 16 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.586 -0.993 17705 6552 1 16 . 1 1 94 94 VAL H H 60 8.878 8.878 7.616 1.262 17705 6553 1 16 . 1 1 95 95 ARG N N 61 125.689 125.689 127.149 -1.460 17705 6554 1 16 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.234 -0.002 17705 6555 1 16 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.301 -2.116 17705 6556 1 16 . 1 1 95 95 ARG H H 61 8.649 8.649 8.972 -0.323 17705 6557 1 16 . 1 1 96 96 PHE N N 62 123.552 123.552 123.588 -0.036 17705 6558 1 16 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.662 0.167 17705 6559 1 16 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.575 -0.576 17705 6560 1 16 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.552 -2.069 17705 6561 1 16 . 1 1 96 96 PHE H H 62 9.152 9.152 8.501 0.651 17705 6562 1 16 . 1 1 97 97 HIS N N 63 119.487 119.487 118.081 1.406 17705 6563 1 16 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.709 -0.308 17705 6564 1 16 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.501 -3.084 17705 6565 1 16 . 1 1 97 97 HIS H H 63 7.904 7.904 7.887 0.017 17705 6566 1 16 . 1 1 98 98 ASP N N 64 119.624 119.624 119.849 -0.225 17705 6567 1 16 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.903 0.129 17705 6568 1 16 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.147 -2.909 17705 6569 1 16 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.268 -0.698 17705 6570 1 16 . 1 1 98 98 ASP H H 64 9.103 9.103 7.983 1.120 17705 6571 1 16 . 1 1 99 99 LYS N N 65 127.479 127.479 125.991 1.488 17705 6572 1 16 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.069 -0.209 17705 6573 1 16 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.749 -1.625 17705 6574 1 16 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.309 -2.024 17705 6575 1 16 . 1 1 99 99 LYS H H 65 8.743 8.743 8.824 -0.081 17705 6576 1 16 . 1 1 100 100 ARG N N 66 118.795 118.795 119.140 -0.345 17705 6577 1 16 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.395 -0.332 17705 6578 1 16 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.578 -2.518 17705 6579 1 16 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.586 -2.813 17705 6580 1 16 . 1 1 100 100 ARG H H 66 8.604 8.604 8.935 -0.331 17705 6581 1 16 . 1 1 101 101 ASP N N 67 119.686 119.686 119.015 0.671 17705 6582 1 16 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.639 -0.437 17705 6583 1 16 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.306 -3.088 17705 6584 1 16 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.540 -2.466 17705 6585 1 16 . 1 1 101 101 ASP H H 67 7.105 7.105 7.935 -0.830 17705 6586 1 16 . 1 1 102 102 ALA N N 68 119.709 119.709 123.060 -3.351 17705 6587 1 16 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.625 -0.799 17705 6588 1 16 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.846 -3.167 17705 6589 1 16 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.506 -2.916 17705 6590 1 16 . 1 1 102 102 ALA H H 68 6.848 6.848 7.956 -1.108 17705 6591 1 16 . 1 1 103 103 GLU N N 69 117.431 117.431 119.805 -2.374 17705 6592 1 16 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.879 -0.224 17705 6593 1 16 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.938 -2.769 17705 6594 1 16 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.550 -3.050 17705 6595 1 16 . 1 1 103 103 GLU H H 69 8.008 8.008 8.337 -0.329 17705 6596 1 16 . 1 1 104 104 ASP N N 70 120.512 120.512 119.148 1.364 17705 6597 1 16 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.398 -0.132 17705 6598 1 16 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.447 -2.930 17705 6599 1 16 . 1 1 104 104 ASP H H 70 8.022 8.022 7.708 0.314 17705 6600 1 16 . 1 1 105 105 ALA N N 71 122.325 122.325 121.992 0.333 17705 6601 1 16 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.585 0.200 17705 6602 1 16 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.421 -2.687 17705 6603 1 16 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.340 -1.192 17705 6604 1 16 . 1 1 105 105 ALA H H 71 8.109 8.109 7.342 0.767 17705 6605 1 16 . 1 1 106 106 MET N N 72 118.595 118.595 118.454 0.141 17705 6606 1 16 . 1 1 106 106 MET HA H 72 3.657 3.657 4.073 -0.416 17705 6607 1 16 . 1 1 106 106 MET CA C 72 57.163 57.163 58.681 -1.518 17705 6608 1 16 . 1 1 106 106 MET CB C 72 30.248 30.248 32.747 -2.499 17705 6609 1 16 . 1 1 106 106 MET H H 72 8.293 8.293 8.114 0.179 17705 6610 1 16 . 1 1 107 107 ASP N N 73 117.126 117.126 119.942 -2.816 17705 6611 1 16 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.444 -0.120 17705 6612 1 16 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.872 -1.824 17705 6613 1 16 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.842 -2.494 17705 6614 1 16 . 1 1 107 107 ASP H H 73 7.784 7.784 8.126 -0.342 17705 6615 1 16 . 1 1 108 108 ALA N N 74 117.971 117.971 117.727 0.244 17705 6616 1 16 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.444 -0.333 17705 6617 1 16 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.255 -0.881 17705 6618 1 16 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.412 -2.759 17705 6619 1 16 . 1 1 108 108 ALA H H 74 7.366 7.366 7.310 0.056 17705 6620 1 16 . 1 1 109 109 MET N N 75 112.248 112.248 114.942 -2.694 17705 6621 1 16 . 1 1 109 109 MET HA H 75 4.756 4.756 4.548 0.208 17705 6622 1 16 . 1 1 109 109 MET CA C 75 50.696 50.696 54.427 -3.731 17705 6623 1 16 . 1 1 109 109 MET H H 75 8.077 8.077 7.399 0.678 17705 6624 1 16 . 1 1 110 110 ASP N N 76 120.144 120.144 122.041 -1.897 17705 6625 1 16 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.400 0.013 17705 6626 1 16 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.082 -1.152 17705 6627 1 16 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.625 -2.045 17705 6628 1 16 . 1 1 110 110 ASP H H 76 7.915 7.915 7.966 -0.051 17705 6629 1 16 . 1 1 111 111 GLY N N 77 117.810 117.810 114.295 3.515 17705 6630 1 16 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.600 -2.752 17705 6631 1 16 . 1 1 111 111 GLY H H 77 8.680 8.680 8.528 0.152 17705 6632 1 16 . 1 1 112 112 ALA N N 78 123.748 123.748 121.889 1.859 17705 6633 1 16 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.400 -0.073 17705 6634 1 16 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.230 -2.262 17705 6635 1 16 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.165 -1.686 17705 6636 1 16 . 1 1 112 112 ALA H H 78 7.918 7.918 7.690 0.228 17705 6637 1 16 . 1 1 113 113 VAL N N 79 118.622 118.622 118.114 0.508 17705 6638 1 16 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.858 0.782 17705 6639 1 16 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.029 -1.407 17705 6640 1 16 . 1 1 113 113 VAL H H 79 8.091 8.091 8.054 0.037 17705 6641 1 16 . 1 1 114 114 LEU N N 80 129.451 129.451 119.455 9.996 17705 6642 1 16 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.378 0.167 17705 6643 1 16 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.398 -4.450 17705 6644 1 16 . 1 1 114 114 LEU CB C 80 42.680 42.680 40.998 1.682 17705 6645 1 16 . 1 1 114 114 LEU H H 80 8.875 8.875 8.220 0.655 17705 6646 1 16 . 1 1 115 115 ASP N N 81 129.610 129.610 119.156 10.454 17705 6647 1 16 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.666 -0.433 17705 6648 1 16 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.363 -2.088 17705 6649 1 16 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.627 -4.369 17705 6650 1 16 . 1 1 115 115 ASP H H 81 9.445 9.445 8.096 1.349 17705 6651 1 16 . 1 1 116 116 GLY N N 82 100.657 100.657 106.678 -6.021 17705 6652 1 16 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.278 -2.393 17705 6653 1 16 . 1 1 116 116 GLY H H 82 8.008 8.008 8.251 -0.243 17705 6654 1 16 . 1 1 117 117 ARG N N 83 120.179 120.179 118.269 1.910 17705 6655 1 16 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.637 -0.091 17705 6656 1 16 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.121 -5.173 17705 6657 1 16 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.763 -1.195 17705 6658 1 16 . 1 1 117 117 ARG H H 83 7.499 7.499 8.215 -0.716 17705 6659 1 16 . 1 1 118 118 GLU N N 84 121.274 121.274 120.308 0.966 17705 6660 1 16 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.233 0.086 17705 6661 1 16 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.304 -3.287 17705 6662 1 16 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.319 -2.130 17705 6663 1 16 . 1 1 118 118 GLU H H 84 8.369 8.369 8.108 0.261 17705 6664 1 16 . 1 1 119 119 LEU N N 85 128.104 128.104 123.492 4.612 17705 6665 1 16 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.169 0.381 17705 6666 1 16 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.769 -4.983 17705 6667 1 16 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.794 -1.906 17705 6668 1 16 . 1 1 119 119 LEU H H 85 9.356 9.356 8.320 1.036 17705 6669 1 16 . 1 1 120 120 ARG N N 86 121.349 121.349 121.135 0.214 17705 6670 1 16 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.098 0.056 17705 6671 1 16 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.790 -2.141 17705 6672 1 16 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.559 -3.984 17705 6673 1 16 . 1 1 120 120 ARG H H 86 7.677 7.677 8.365 -0.688 17705 6674 1 16 . 1 1 121 121 VAL N N 87 126.888 126.888 122.244 4.644 17705 6675 1 16 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.838 0.303 17705 6676 1 16 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.556 -2.030 17705 6677 1 16 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.801 -2.868 17705 6678 1 16 . 1 1 121 121 VAL H H 87 9.435 9.435 8.750 0.685 17705 6679 1 16 . 1 1 122 122 GLN N N 88 122.184 122.184 121.654 0.530 17705 6680 1 16 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.712 0.223 17705 6681 1 16 . 1 1 122 122 GLN CA C 88 50.990 50.990 54.130 -3.140 17705 6682 1 16 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.986 -0.626 17705 6683 1 16 . 1 1 122 122 GLN H H 88 8.520 8.520 8.899 -0.379 17705 6684 1 16 . 1 1 123 123 MET N N 89 122.187 122.187 120.274 1.913 17705 6685 1 16 . 1 1 123 123 MET HA H 89 4.660 4.660 4.309 0.351 17705 6686 1 16 . 1 1 123 123 MET CB C 89 29.398 29.398 31.957 -2.559 17705 6687 1 16 . 1 1 123 123 MET H H 89 8.699 8.699 8.959 -0.260 17705 6688 1 16 . 1 1 124 124 ALA N N 90 127.406 127.406 126.563 0.843 17705 6689 1 16 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.149 0.300 17705 6690 1 16 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.268 -2.686 17705 6691 1 16 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.105 -2.307 17705 6692 1 16 . 1 1 124 124 ALA H H 90 8.592 8.592 8.754 -0.162 17705 6693 1 16 . 1 1 125 125 ARG N N 91 119.981 119.981 114.236 5.745 17705 6694 1 16 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.822 0.497 17705 6695 1 16 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.403 -4.185 17705 6696 1 16 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.848 0.786 17705 6697 1 16 . 1 1 125 125 ARG H H 91 8.299 8.299 8.037 0.262 17705 6698 1 16 . 1 1 126 126 TYR N N 92 121.757 121.757 116.061 5.696 17705 6699 1 16 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.822 -0.356 17705 6700 1 16 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.216 -1.126 17705 6701 1 16 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.658 -2.188 17705 6702 1 16 . 1 1 126 126 TYR H H 92 8.182 8.182 7.913 0.269 17705 6703 1 16 . 1 1 127 127 GLY N N 93 110.707 110.707 106.410 4.297 17705 6704 1 16 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.183 -2.841 17705 6705 1 16 . 1 1 127 127 GLY H H 93 7.969 7.969 7.569 0.400 17705 6706 1 16 . 1 1 128 128 ARG N N 94 121.504 121.504 118.893 2.611 17705 6707 1 16 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.814 -0.349 17705 6708 1 16 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.281 -2.232 17705 6709 1 16 . 1 1 128 128 ARG H H 94 7.930 7.930 8.504 -0.574 17705 6710 1 16 . 1 1 131 131 ASP N N 97 120.004 120.004 115.106 4.898 17705 6711 1 16 . 1 1 131 131 ASP H H 97 8.289 8.289 8.581 -0.292 17705 6712 1 16 . 1 1 132 132 SER N N 98 115.594 115.594 111.291 4.303 17705 6713 1 16 . 1 1 132 132 SER HA H 98 4.348 4.348 4.566 -0.218 17705 6714 1 16 . 1 1 132 132 SER CB C 98 61.181 61.181 64.573 -3.392 17705 6715 1 16 . 1 1 132 132 SER H H 98 8.128 8.128 7.988 0.140 17705 6716 1 16 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.239 -3.170 17705 6717 1 16 . 1 1 133 133 HIS H H 99 8.290 8.290 8.108 0.182 17705 6718 1 16 . 1 1 134 134 HIS N N 100 120.371 120.371 113.091 7.280 17705 6719 1 16 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.572 -3.522 17705 6720 1 16 . 1 1 134 134 HIS H H 100 7.251 7.251 7.657 -0.406 17705 6721 1 17 . 1 1 36 36 SER N N 2 116.240 116.240 115.503 0.737 17705 6722 1 17 . 1 1 36 36 SER HA H 2 4.389 4.389 5.044 -0.655 17705 6723 1 17 . 1 1 36 36 SER CB C 2 61.141 61.141 64.626 -3.485 17705 6724 1 17 . 1 1 36 36 SER H H 2 8.111 8.111 8.787 -0.676 17705 6725 1 17 . 1 1 37 37 TYR N N 3 121.776 121.776 116.435 5.341 17705 6726 1 17 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.223 -0.678 17705 6727 1 17 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.101 -1.806 17705 6728 1 17 . 1 1 37 37 TYR CB C 3 36.113 36.113 40.121 -4.008 17705 6729 1 17 . 1 1 37 37 TYR H H 3 8.062 8.062 8.550 -0.488 17705 6730 1 17 . 1 1 38 38 GLY N N 4 110.102 110.102 108.719 1.383 17705 6731 1 17 . 1 1 38 38 GLY CA C 4 42.578 42.578 45.005 -2.427 17705 6732 1 17 . 1 1 38 38 GLY H H 4 8.221 8.221 8.689 -0.468 17705 6733 1 17 . 1 1 39 39 ARG N N 5 121.307 121.307 120.566 0.741 17705 6734 1 17 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.708 -0.126 17705 6735 1 17 . 1 1 39 39 ARG CA C 5 51.020 51.020 54.062 -3.042 17705 6736 1 17 . 1 1 39 39 ARG CB C 5 27.731 27.731 31.578 -3.847 17705 6737 1 17 . 1 1 39 39 ARG H H 5 7.967 7.967 8.022 -0.055 17705 6738 1 17 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.567 -0.236 17705 6739 1 17 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.872 -2.353 17705 6740 1 17 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.121 -3.831 17705 6741 1 17 . 1 1 43 43 ASP N N 9 119.234 119.234 116.611 2.623 17705 6742 1 17 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.656 -0.114 17705 6743 1 17 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.497 -4.078 17705 6744 1 17 . 1 1 43 43 ASP H H 9 8.260 8.260 8.343 -0.083 17705 6745 1 17 . 1 1 44 44 VAL N N 10 119.005 119.005 114.753 4.252 17705 6746 1 17 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.676 0.355 17705 6747 1 17 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.215 -3.147 17705 6748 1 17 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.457 -0.609 17705 6749 1 17 . 1 1 44 44 VAL H H 10 7.903 7.903 7.904 -0.001 17705 6750 1 17 . 1 1 45 45 GLU N N 11 122.556 122.556 119.534 3.022 17705 6751 1 17 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.184 -0.052 17705 6752 1 17 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.084 -2.326 17705 6753 1 17 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.116 -1.906 17705 6754 1 17 . 1 1 45 45 GLU H H 11 8.304 8.304 8.555 -0.251 17705 6755 1 17 . 1 1 46 46 GLY N N 12 108.250 108.250 106.709 1.541 17705 6756 1 17 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.025 -2.253 17705 6757 1 17 . 1 1 46 46 GLY H H 12 8.187 8.187 8.002 0.185 17705 6758 1 17 . 1 1 47 47 MET N N 13 118.678 118.678 118.444 0.234 17705 6759 1 17 . 1 1 47 47 MET HA H 13 4.606 4.606 4.845 -0.239 17705 6760 1 17 . 1 1 47 47 MET CB C 13 30.713 30.713 36.140 -5.427 17705 6761 1 17 . 1 1 47 47 MET H H 13 7.798 7.798 7.456 0.342 17705 6762 1 17 . 1 1 48 48 THR N N 14 116.971 116.971 115.274 1.697 17705 6763 1 17 . 1 1 48 48 THR HA H 14 4.469 4.469 4.634 -0.165 17705 6764 1 17 . 1 1 48 48 THR CA C 14 60.072 60.072 62.673 -2.601 17705 6765 1 17 . 1 1 48 48 THR CB C 14 67.533 67.533 71.295 -3.762 17705 6766 1 17 . 1 1 48 48 THR H H 14 8.693 8.693 9.119 -0.426 17705 6767 1 17 . 1 1 49 49 SER N N 15 121.549 121.549 119.614 1.935 17705 6768 1 17 . 1 1 49 49 SER HA H 15 5.369 5.369 5.041 0.328 17705 6769 1 17 . 1 1 49 49 SER CA C 15 55.530 55.530 59.660 -4.130 17705 6770 1 17 . 1 1 49 49 SER CB C 15 62.465 62.465 64.222 -1.757 17705 6771 1 17 . 1 1 49 49 SER H H 15 8.813 8.813 8.043 0.770 17705 6772 1 17 . 1 1 50 50 LEU N N 16 122.760 122.760 125.223 -2.463 17705 6773 1 17 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.459 0.656 17705 6774 1 17 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.981 -3.784 17705 6775 1 17 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.519 -2.898 17705 6776 1 17 . 1 1 50 50 LEU H H 16 9.287 9.287 8.257 1.030 17705 6777 1 17 . 1 1 51 51 LYS N N 17 123.384 123.384 123.161 0.223 17705 6778 1 17 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.238 -0.444 17705 6779 1 17 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.530 -1.949 17705 6780 1 17 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.898 -3.644 17705 6781 1 17 . 1 1 51 51 LYS H H 17 9.240 9.240 8.830 0.410 17705 6782 1 17 . 1 1 52 52 VAL N N 18 129.496 129.496 124.951 4.545 17705 6783 1 17 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.739 0.026 17705 6784 1 17 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.594 -2.364 17705 6785 1 17 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.822 -5.069 17705 6786 1 17 . 1 1 52 52 VAL H H 18 9.194 9.194 7.951 1.243 17705 6787 1 17 . 1 1 53 53 ASP N N 19 126.148 126.148 124.654 1.494 17705 6788 1 17 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.010 0.288 17705 6789 1 17 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.415 -2.352 17705 6790 1 17 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.782 -2.049 17705 6791 1 17 . 1 1 53 53 ASP H H 19 9.382 9.382 8.887 0.495 17705 6792 1 17 . 1 1 54 54 ASN N N 20 113.840 113.840 117.514 -3.674 17705 6793 1 17 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.670 -0.212 17705 6794 1 17 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.168 -3.041 17705 6795 1 17 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.022 -2.972 17705 6796 1 17 . 1 1 54 54 ASN H H 20 8.736 8.736 8.564 0.172 17705 6797 1 17 . 1 1 55 55 LEU N N 21 115.267 115.267 122.650 -7.383 17705 6798 1 17 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.704 -0.315 17705 6799 1 17 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.513 -2.344 17705 6800 1 17 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.679 -4.504 17705 6801 1 17 . 1 1 55 55 LEU H H 21 7.661 7.661 8.725 -1.064 17705 6802 1 17 . 1 1 56 56 THR N N 22 111.721 111.721 113.409 -1.688 17705 6803 1 17 . 1 1 56 56 THR CB C 22 68.066 68.066 70.070 -2.004 17705 6804 1 17 . 1 1 56 56 THR H H 22 8.377 8.377 8.337 0.040 17705 6805 1 17 . 1 1 57 57 TYR N N 23 122.454 122.454 118.382 4.072 17705 6806 1 17 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.202 0.106 17705 6807 1 17 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.008 -2.431 17705 6808 1 17 . 1 1 57 57 TYR CB C 23 34.393 34.393 35.851 -1.458 17705 6809 1 17 . 1 1 57 57 TYR H H 23 8.601 8.601 7.911 0.690 17705 6810 1 17 . 1 1 58 58 ARG N N 24 114.958 114.958 118.810 -3.852 17705 6811 1 17 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.298 -0.084 17705 6812 1 17 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.268 -1.997 17705 6813 1 17 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.916 -3.529 17705 6814 1 17 . 1 1 58 58 ARG H H 24 7.366 7.366 7.976 -0.610 17705 6815 1 17 . 1 1 59 59 THR N N 25 119.016 119.016 115.384 3.632 17705 6816 1 17 . 1 1 59 59 THR HA H 25 4.037 4.037 4.104 -0.067 17705 6817 1 17 . 1 1 59 59 THR CA C 25 62.031 62.031 64.579 -2.548 17705 6818 1 17 . 1 1 59 59 THR CB C 25 65.705 65.705 68.796 -3.091 17705 6819 1 17 . 1 1 59 59 THR H H 25 7.356 7.356 8.048 -0.692 17705 6820 1 17 . 1 1 60 60 SER N N 26 124.554 124.554 114.230 10.324 17705 6821 1 17 . 1 1 60 60 SER HA H 26 4.834 4.834 4.210 0.624 17705 6822 1 17 . 1 1 60 60 SER CA C 26 52.978 52.978 58.283 -5.305 17705 6823 1 17 . 1 1 60 60 SER CB C 26 61.637 61.637 62.981 -1.344 17705 6824 1 17 . 1 1 60 60 SER H H 26 8.404 8.404 7.822 0.582 17705 6825 1 17 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.286 -0.245 17705 6826 1 17 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.467 -2.390 17705 6827 1 17 . 1 1 62 62 ASP N N 28 115.821 115.821 117.537 -1.716 17705 6828 1 17 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.459 -0.086 17705 6829 1 17 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.770 -3.189 17705 6830 1 17 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.715 -2.500 17705 6831 1 17 . 1 1 62 62 ASP H H 28 8.022 8.022 8.610 -0.588 17705 6832 1 17 . 1 1 63 63 THR N N 29 118.403 118.403 116.301 2.102 17705 6833 1 17 . 1 1 63 63 THR HA H 29 3.898 3.898 4.052 -0.154 17705 6834 1 17 . 1 1 63 63 THR CA C 29 63.704 63.704 66.200 -2.496 17705 6835 1 17 . 1 1 63 63 THR CB C 29 65.555 65.555 68.811 -3.256 17705 6836 1 17 . 1 1 63 63 THR H H 29 7.791 7.791 7.576 0.215 17705 6837 1 17 . 1 1 64 64 LEU N N 30 119.247 119.247 121.472 -2.225 17705 6838 1 17 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.182 -0.144 17705 6839 1 17 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.893 -2.793 17705 6840 1 17 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.606 -1.804 17705 6841 1 17 . 1 1 64 64 LEU H H 30 7.607 7.607 7.654 -0.047 17705 6842 1 17 . 1 1 65 65 ARG N N 31 118.798 118.798 119.436 -0.638 17705 6843 1 17 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.102 -0.462 17705 6844 1 17 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.059 -0.744 17705 6845 1 17 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.844 -2.290 17705 6846 1 17 . 1 1 65 65 ARG H H 31 8.547 8.547 8.138 0.409 17705 6847 1 17 . 1 1 66 66 ARG N N 32 116.038 116.038 117.816 -1.778 17705 6848 1 17 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.326 -0.264 17705 6849 1 17 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.616 -1.930 17705 6850 1 17 . 1 1 66 66 ARG H H 32 7.732 7.732 7.719 0.013 17705 6851 1 17 . 1 1 67 67 VAL N N 33 115.825 115.825 118.685 -2.860 17705 6852 1 17 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.877 -0.033 17705 6853 1 17 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.888 -2.158 17705 6854 1 17 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.220 -2.730 17705 6855 1 17 . 1 1 67 67 VAL H H 33 7.837 7.837 7.867 -0.030 17705 6856 1 17 . 1 1 68 68 PHE N N 34 116.175 116.175 116.229 -0.054 17705 6857 1 17 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.891 -0.394 17705 6858 1 17 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.576 0.678 17705 6859 1 17 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.158 -4.898 17705 6860 1 17 . 1 1 68 68 PHE H H 34 8.194 8.194 7.710 0.484 17705 6861 1 17 . 1 1 69 69 GLU N N 35 119.377 119.377 121.098 -1.721 17705 6862 1 17 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.214 0.835 17705 6863 1 17 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.032 -4.121 17705 6864 1 17 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.835 -2.613 17705 6865 1 17 . 1 1 69 69 GLU H H 35 8.669 8.669 8.886 -0.217 17705 6866 1 17 . 1 1 70 70 LYS N N 36 118.371 118.371 118.278 0.093 17705 6867 1 17 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.036 -0.164 17705 6868 1 17 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.312 -2.833 17705 6869 1 17 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.478 -2.258 17705 6870 1 17 . 1 1 70 70 LYS H H 36 6.866 6.866 8.017 -1.151 17705 6871 1 17 . 1 1 71 71 TYR N N 37 115.053 115.053 118.134 -3.081 17705 6872 1 17 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.343 -0.030 17705 6873 1 17 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.772 -3.640 17705 6874 1 17 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.068 -2.306 17705 6875 1 17 . 1 1 71 71 TYR H H 37 7.637 7.637 7.761 -0.124 17705 6876 1 17 . 1 1 72 72 GLY N N 38 104.732 104.732 105.785 -1.053 17705 6877 1 17 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.327 -3.634 17705 6878 1 17 . 1 1 72 72 GLY H H 38 7.353 7.353 7.962 -0.609 17705 6879 1 17 . 1 1 73 73 ARG N N 39 115.823 115.823 119.115 -3.292 17705 6880 1 17 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.465 -0.139 17705 6881 1 17 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.161 -0.597 17705 6882 1 17 . 1 1 73 73 ARG CB C 39 27.851 27.851 32.977 -5.126 17705 6883 1 17 . 1 1 73 73 ARG H H 39 7.975 7.975 8.122 -0.147 17705 6884 1 17 . 1 1 74 74 VAL N N 40 129.287 129.287 119.934 9.353 17705 6885 1 17 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.444 0.247 17705 6886 1 17 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.999 -1.722 17705 6887 1 17 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.594 -2.876 17705 6888 1 17 . 1 1 74 74 VAL H H 40 8.826 8.826 8.383 0.443 17705 6889 1 17 . 1 1 75 75 GLY N N 41 115.247 115.247 115.233 0.014 17705 6890 1 17 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.199 -2.989 17705 6891 1 17 . 1 1 75 75 GLY H H 41 9.023 9.023 8.042 0.981 17705 6892 1 17 . 1 1 76 76 ASP N N 42 117.313 117.313 118.518 -1.205 17705 6893 1 17 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.860 -0.213 17705 6894 1 17 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.810 -3.229 17705 6895 1 17 . 1 1 76 76 ASP H H 42 7.375 7.375 8.029 -0.654 17705 6896 1 17 . 1 1 77 77 VAL N N 43 121.209 121.209 123.056 -1.847 17705 6897 1 17 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.342 0.301 17705 6898 1 17 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.860 -1.818 17705 6899 1 17 . 1 1 77 77 VAL H H 43 7.799 7.799 8.493 -0.694 17705 6900 1 17 . 1 1 78 78 TYR N N 44 127.478 127.478 126.373 1.105 17705 6901 1 17 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.798 0.256 17705 6902 1 17 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.490 -3.597 17705 6903 1 17 . 1 1 78 78 TYR CB C 44 38.774 38.774 40.922 -2.148 17705 6904 1 17 . 1 1 78 78 TYR H H 44 9.056 9.056 8.087 0.969 17705 6905 1 17 . 1 1 79 79 ILE N N 45 128.848 128.848 119.846 9.002 17705 6906 1 17 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.266 0.131 17705 6907 1 17 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.160 -1.505 17705 6908 1 17 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.845 -3.475 17705 6909 1 17 . 1 1 79 79 ILE H H 45 8.484 8.484 8.479 0.005 17705 6910 1 17 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.780 -0.721 17705 6911 1 17 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.561 -2.800 17705 6912 1 17 . 1 1 81 81 ARG N N 47 119.796 119.796 119.999 -0.203 17705 6913 1 17 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.145 0.291 17705 6914 1 17 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.656 -0.682 17705 6915 1 17 . 1 1 81 81 ARG H H 47 8.131 8.131 7.945 0.186 17705 6916 1 17 . 1 1 82 82 ASP N N 48 122.427 122.427 118.932 3.495 17705 6917 1 17 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.426 0.011 17705 6918 1 17 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.952 -3.304 17705 6919 1 17 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.377 -1.023 17705 6920 1 17 . 1 1 82 82 ASP H H 48 8.511 8.511 8.264 0.247 17705 6921 1 17 . 1 1 83 83 ARG N N 49 124.150 124.150 119.036 5.114 17705 6922 1 17 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.442 -0.443 17705 6923 1 17 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.524 -3.866 17705 6924 1 17 . 1 1 83 83 ARG H H 49 8.546 8.546 8.564 -0.018 17705 6925 1 17 . 1 1 84 84 TYR N N 50 118.236 118.236 115.188 3.048 17705 6926 1 17 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.039 -0.386 17705 6927 1 17 . 1 1 84 84 TYR CB C 50 35.932 35.932 39.350 -3.418 17705 6928 1 17 . 1 1 84 84 TYR H H 50 8.376 8.376 7.671 0.705 17705 6929 1 17 . 1 1 85 85 THR N N 51 111.445 111.445 115.217 -3.772 17705 6930 1 17 . 1 1 85 85 THR HA H 51 4.306 4.306 4.608 -0.302 17705 6931 1 17 . 1 1 85 85 THR CA C 51 59.280 59.280 60.604 -1.324 17705 6932 1 17 . 1 1 85 85 THR CB C 51 67.748 67.748 71.134 -3.386 17705 6933 1 17 . 1 1 85 85 THR H H 51 8.790 8.790 8.361 0.429 17705 6934 1 17 . 1 1 86 86 LYS N N 52 115.778 115.778 119.752 -3.974 17705 6935 1 17 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.617 -0.631 17705 6936 1 17 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.801 -0.612 17705 6937 1 17 . 1 1 86 86 LYS H H 52 7.947 7.947 8.475 -0.528 17705 6938 1 17 . 1 1 87 87 GLU N N 53 118.931 118.931 117.433 1.498 17705 6939 1 17 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.775 -0.453 17705 6940 1 17 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.145 -3.784 17705 6941 1 17 . 1 1 87 87 GLU H H 53 7.881 7.881 8.326 -0.445 17705 6942 1 17 . 1 1 88 88 SER N N 54 116.268 116.268 112.897 3.371 17705 6943 1 17 . 1 1 88 88 SER HA H 54 4.324 4.324 4.681 -0.357 17705 6944 1 17 . 1 1 88 88 SER CA C 54 55.543 55.543 56.611 -1.067 17705 6945 1 17 . 1 1 88 88 SER CB C 54 61.291 61.291 64.300 -3.009 17705 6946 1 17 . 1 1 88 88 SER H H 54 8.472 8.472 8.237 0.235 17705 6947 1 17 . 1 1 89 89 ARG N N 55 121.084 121.084 122.257 -1.173 17705 6948 1 17 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.450 -0.117 17705 6949 1 17 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.709 -2.470 17705 6950 1 17 . 1 1 89 89 ARG H H 55 8.121 8.121 8.740 -0.619 17705 6951 1 17 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.871 -1.676 17705 6952 1 17 . 1 1 90 90 GLY H H 56 8.334 8.334 7.944 0.390 17705 6953 1 17 . 1 1 91 91 PHE N N 57 113.361 113.361 115.249 -1.888 17705 6954 1 17 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.061 0.602 17705 6955 1 17 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.376 -3.492 17705 6956 1 17 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.422 -0.962 17705 6957 1 17 . 1 1 91 91 PHE H H 57 6.980 6.980 7.314 -0.334 17705 6958 1 17 . 1 1 92 92 ALA N N 58 118.350 118.350 123.516 -5.166 17705 6959 1 17 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.030 0.786 17705 6960 1 17 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.751 -3.582 17705 6961 1 17 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.122 2.159 17705 6962 1 17 . 1 1 92 92 ALA H H 58 8.854 8.854 8.123 0.731 17705 6963 1 17 . 1 1 93 93 PHE N N 59 116.210 116.210 118.897 -2.687 17705 6964 1 17 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.647 1.144 17705 6965 1 17 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.777 -3.038 17705 6966 1 17 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.235 -2.309 17705 6967 1 17 . 1 1 93 93 PHE H H 59 9.011 9.011 7.924 1.087 17705 6968 1 17 . 1 1 94 94 VAL N N 60 123.082 123.082 121.017 2.065 17705 6969 1 17 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.430 -0.083 17705 6970 1 17 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.701 -3.005 17705 6971 1 17 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.833 -1.240 17705 6972 1 17 . 1 1 94 94 VAL H H 60 8.878 8.878 7.580 1.298 17705 6973 1 17 . 1 1 95 95 ARG N N 61 125.689 125.689 126.909 -1.220 17705 6974 1 17 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.283 -0.051 17705 6975 1 17 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.180 -1.995 17705 6976 1 17 . 1 1 95 95 ARG H H 61 8.649 8.649 9.025 -0.376 17705 6977 1 17 . 1 1 96 96 PHE N N 62 123.552 123.552 124.136 -0.584 17705 6978 1 17 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.730 0.099 17705 6979 1 17 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.316 -0.317 17705 6980 1 17 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.354 -1.871 17705 6981 1 17 . 1 1 96 96 PHE H H 62 9.152 9.152 8.573 0.579 17705 6982 1 17 . 1 1 97 97 HIS N N 63 119.487 119.487 119.665 -0.178 17705 6983 1 17 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.599 -0.198 17705 6984 1 17 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.182 -2.765 17705 6985 1 17 . 1 1 97 97 HIS H H 63 7.904 7.904 8.155 -0.251 17705 6986 1 17 . 1 1 98 98 ASP N N 64 119.624 119.624 119.726 -0.102 17705 6987 1 17 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.904 0.128 17705 6988 1 17 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.235 -2.997 17705 6989 1 17 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.689 -1.119 17705 6990 1 17 . 1 1 98 98 ASP H H 64 9.103 9.103 7.911 1.192 17705 6991 1 17 . 1 1 99 99 LYS N N 65 127.479 127.479 125.759 1.720 17705 6992 1 17 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.156 -0.296 17705 6993 1 17 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.783 -1.659 17705 6994 1 17 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.267 -1.982 17705 6995 1 17 . 1 1 99 99 LYS H H 65 8.743 8.743 8.832 -0.089 17705 6996 1 17 . 1 1 100 100 ARG N N 66 118.795 118.795 119.094 -0.299 17705 6997 1 17 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.461 -0.398 17705 6998 1 17 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.182 -2.122 17705 6999 1 17 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.546 -2.773 17705 7000 1 17 . 1 1 100 100 ARG H H 66 8.604 8.604 8.929 -0.325 17705 7001 1 17 . 1 1 101 101 ASP N N 67 119.686 119.686 119.257 0.429 17705 7002 1 17 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.631 -0.429 17705 7003 1 17 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.307 -3.089 17705 7004 1 17 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.525 -2.451 17705 7005 1 17 . 1 1 101 101 ASP H H 67 7.105 7.105 7.937 -0.832 17705 7006 1 17 . 1 1 102 102 ALA N N 68 119.709 119.709 122.931 -3.222 17705 7007 1 17 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.691 -0.865 17705 7008 1 17 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.821 -3.142 17705 7009 1 17 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.518 -2.928 17705 7010 1 17 . 1 1 102 102 ALA H H 68 6.848 6.848 7.952 -1.104 17705 7011 1 17 . 1 1 103 103 GLU N N 69 117.431 117.431 119.956 -2.525 17705 7012 1 17 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.876 -0.221 17705 7013 1 17 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.955 -2.786 17705 7014 1 17 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.511 -3.011 17705 7015 1 17 . 1 1 103 103 GLU H H 69 8.008 8.008 8.214 -0.206 17705 7016 1 17 . 1 1 104 104 ASP N N 70 120.512 120.512 118.707 1.805 17705 7017 1 17 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.398 -0.132 17705 7018 1 17 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.531 -3.014 17705 7019 1 17 . 1 1 104 104 ASP H H 70 8.022 8.022 7.645 0.377 17705 7020 1 17 . 1 1 105 105 ALA N N 71 122.325 122.325 121.877 0.448 17705 7021 1 17 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.571 0.214 17705 7022 1 17 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.406 -2.672 17705 7023 1 17 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.406 -1.258 17705 7024 1 17 . 1 1 105 105 ALA H H 71 8.109 8.109 7.358 0.751 17705 7025 1 17 . 1 1 106 106 MET N N 72 118.595 118.595 118.488 0.107 17705 7026 1 17 . 1 1 106 106 MET HA H 72 3.657 3.657 4.072 -0.415 17705 7027 1 17 . 1 1 106 106 MET CA C 72 57.163 57.163 58.721 -1.558 17705 7028 1 17 . 1 1 106 106 MET CB C 72 30.248 30.248 32.766 -2.518 17705 7029 1 17 . 1 1 106 106 MET H H 72 8.293 8.293 8.148 0.145 17705 7030 1 17 . 1 1 107 107 ASP N N 73 117.126 117.126 119.881 -2.755 17705 7031 1 17 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.435 -0.111 17705 7032 1 17 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.793 -1.745 17705 7033 1 17 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.788 -2.439 17705 7034 1 17 . 1 1 107 107 ASP H H 73 7.784 7.784 8.089 -0.305 17705 7035 1 17 . 1 1 108 108 ALA N N 74 117.971 117.971 117.546 0.425 17705 7036 1 17 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.438 -0.327 17705 7037 1 17 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.232 -0.858 17705 7038 1 17 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.485 -2.833 17705 7039 1 17 . 1 1 108 108 ALA H H 74 7.366 7.366 7.352 0.014 17705 7040 1 17 . 1 1 109 109 MET N N 75 112.248 112.248 114.911 -2.663 17705 7041 1 17 . 1 1 109 109 MET HA H 75 4.756 4.756 4.542 0.214 17705 7042 1 17 . 1 1 109 109 MET CA C 75 50.696 50.696 54.410 -3.714 17705 7043 1 17 . 1 1 109 109 MET H H 75 8.077 8.077 7.432 0.645 17705 7044 1 17 . 1 1 110 110 ASP N N 76 120.144 120.144 121.668 -1.524 17705 7045 1 17 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.431 -0.018 17705 7046 1 17 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.989 -1.059 17705 7047 1 17 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.931 -2.351 17705 7048 1 17 . 1 1 110 110 ASP H H 76 7.915 7.915 7.939 -0.024 17705 7049 1 17 . 1 1 111 111 GLY N N 77 117.810 117.810 114.470 3.340 17705 7050 1 17 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.797 -2.949 17705 7051 1 17 . 1 1 111 111 GLY H H 77 8.680 8.680 8.678 0.002 17705 7052 1 17 . 1 1 112 112 ALA N N 78 123.748 123.748 121.701 2.047 17705 7053 1 17 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.278 0.049 17705 7054 1 17 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.514 -2.546 17705 7055 1 17 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.434 -1.955 17705 7056 1 17 . 1 1 112 112 ALA H H 78 7.918 7.918 7.558 0.360 17705 7057 1 17 . 1 1 113 113 VAL N N 79 118.622 118.622 117.880 0.742 17705 7058 1 17 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.852 0.788 17705 7059 1 17 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.570 -1.948 17705 7060 1 17 . 1 1 113 113 VAL H H 79 8.091 8.091 7.868 0.223 17705 7061 1 17 . 1 1 114 114 LEU N N 80 129.451 129.451 124.424 5.027 17705 7062 1 17 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.194 0.351 17705 7063 1 17 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.820 -4.872 17705 7064 1 17 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.898 0.783 17705 7065 1 17 . 1 1 114 114 LEU H H 80 8.875 8.875 8.473 0.402 17705 7066 1 17 . 1 1 115 115 ASP N N 81 129.610 129.610 116.838 12.772 17705 7067 1 17 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.779 -0.546 17705 7068 1 17 . 1 1 115 115 ASP CA C 81 52.275 52.275 53.866 -1.591 17705 7069 1 17 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.315 -5.057 17705 7070 1 17 . 1 1 115 115 ASP H H 81 9.445 9.445 7.955 1.490 17705 7071 1 17 . 1 1 116 116 GLY N N 82 100.657 100.657 107.528 -6.871 17705 7072 1 17 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.104 -2.219 17705 7073 1 17 . 1 1 116 116 GLY H H 82 8.008 8.008 8.253 -0.245 17705 7074 1 17 . 1 1 117 117 ARG N N 83 120.179 120.179 118.608 1.571 17705 7075 1 17 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.461 0.085 17705 7076 1 17 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.678 -4.730 17705 7077 1 17 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.451 -0.883 17705 7078 1 17 . 1 1 117 117 ARG H H 83 7.499 7.499 7.931 -0.432 17705 7079 1 17 . 1 1 118 118 GLU N N 84 121.274 121.274 119.279 1.995 17705 7080 1 17 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.312 0.007 17705 7081 1 17 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.240 -3.223 17705 7082 1 17 . 1 1 118 118 GLU CB C 84 27.189 27.189 30.035 -2.846 17705 7083 1 17 . 1 1 118 118 GLU H H 84 8.369 8.369 8.028 0.341 17705 7084 1 17 . 1 1 119 119 LEU N N 85 128.104 128.104 122.665 5.439 17705 7085 1 17 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.074 0.476 17705 7086 1 17 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.430 -4.644 17705 7087 1 17 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.514 -1.626 17705 7088 1 17 . 1 1 119 119 LEU H H 85 9.356 9.356 8.499 0.857 17705 7089 1 17 . 1 1 120 120 ARG N N 86 121.349 121.349 120.676 0.673 17705 7090 1 17 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.070 0.084 17705 7091 1 17 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.660 -2.010 17705 7092 1 17 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.377 -3.802 17705 7093 1 17 . 1 1 120 120 ARG H H 86 7.677 7.677 8.381 -0.704 17705 7094 1 17 . 1 1 121 121 VAL N N 87 126.888 126.888 122.920 3.968 17705 7095 1 17 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.784 0.357 17705 7096 1 17 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.915 -2.390 17705 7097 1 17 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.912 -2.979 17705 7098 1 17 . 1 1 121 121 VAL H H 87 9.435 9.435 8.692 0.743 17705 7099 1 17 . 1 1 122 122 GLN N N 88 122.184 122.184 122.245 -0.061 17705 7100 1 17 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.715 0.220 17705 7101 1 17 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.980 -2.990 17705 7102 1 17 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.076 -0.716 17705 7103 1 17 . 1 1 122 122 GLN H H 88 8.520 8.520 8.973 -0.453 17705 7104 1 17 . 1 1 123 123 MET N N 89 122.187 122.187 120.295 1.892 17705 7105 1 17 . 1 1 123 123 MET HA H 89 4.660 4.660 4.300 0.360 17705 7106 1 17 . 1 1 123 123 MET CB C 89 29.398 29.398 31.978 -2.580 17705 7107 1 17 . 1 1 123 123 MET H H 89 8.699 8.699 8.968 -0.269 17705 7108 1 17 . 1 1 124 124 ALA N N 90 127.406 127.406 125.038 2.368 17705 7109 1 17 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.166 0.283 17705 7110 1 17 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.285 -2.703 17705 7111 1 17 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.688 -1.890 17705 7112 1 17 . 1 1 124 124 ALA H H 90 8.592 8.592 8.684 -0.092 17705 7113 1 17 . 1 1 125 125 ARG N N 91 119.981 119.981 114.344 5.637 17705 7114 1 17 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.883 0.436 17705 7115 1 17 . 1 1 125 125 ARG CA C 91 53.218 53.218 56.769 -3.551 17705 7116 1 17 . 1 1 125 125 ARG CB C 91 28.634 28.634 26.866 1.768 17705 7117 1 17 . 1 1 125 125 ARG H H 91 8.299 8.299 8.077 0.222 17705 7118 1 17 . 1 1 126 126 TYR N N 92 121.757 121.757 117.053 4.704 17705 7119 1 17 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.852 -0.386 17705 7120 1 17 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.489 -1.399 17705 7121 1 17 . 1 1 126 126 TYR CB C 92 36.470 36.470 43.053 -6.583 17705 7122 1 17 . 1 1 126 126 TYR H H 92 8.182 8.182 7.544 0.638 17705 7123 1 17 . 1 1 127 127 GLY N N 93 110.707 110.707 108.464 2.243 17705 7124 1 17 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.529 -3.187 17705 7125 1 17 . 1 1 127 127 GLY H H 93 7.969 7.969 8.181 -0.212 17705 7126 1 17 . 1 1 128 128 ARG N N 94 121.504 121.504 120.615 0.889 17705 7127 1 17 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.727 -0.262 17705 7128 1 17 . 1 1 128 128 ARG CA C 94 51.049 51.049 54.305 -3.256 17705 7129 1 17 . 1 1 128 128 ARG H H 94 7.930 7.930 8.436 -0.506 17705 7130 1 17 . 1 1 131 131 ASP N N 97 120.004 120.004 117.856 2.148 17705 7131 1 17 . 1 1 131 131 ASP H H 97 8.289 8.289 8.434 -0.145 17705 7132 1 17 . 1 1 132 132 SER N N 98 115.594 115.594 110.724 4.870 17705 7133 1 17 . 1 1 132 132 SER HA H 98 4.348 4.348 4.569 -0.221 17705 7134 1 17 . 1 1 132 132 SER CB C 98 61.181 61.181 64.114 -2.933 17705 7135 1 17 . 1 1 132 132 SER H H 98 8.128 8.128 7.665 0.463 17705 7136 1 17 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.702 -3.633 17705 7137 1 17 . 1 1 133 133 HIS H H 99 8.290 8.290 8.546 -0.256 17705 7138 1 17 . 1 1 134 134 HIS N N 100 120.371 120.371 117.778 2.593 17705 7139 1 17 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.728 -3.678 17705 7140 1 17 . 1 1 134 134 HIS H H 100 7.251 7.251 7.669 -0.418 17705 7141 1 18 . 1 1 36 36 SER N N 2 116.240 116.240 118.160 -1.920 17705 7142 1 18 . 1 1 36 36 SER HA H 2 4.389 4.389 4.803 -0.414 17705 7143 1 18 . 1 1 36 36 SER CB C 2 61.141 61.141 64.743 -3.602 17705 7144 1 18 . 1 1 36 36 SER H H 2 8.111 8.111 8.434 -0.323 17705 7145 1 18 . 1 1 37 37 TYR N N 3 121.776 121.776 117.759 4.017 17705 7146 1 18 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.009 -0.464 17705 7147 1 18 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.229 -2.934 17705 7148 1 18 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.520 -3.407 17705 7149 1 18 . 1 1 37 37 TYR H H 3 8.062 8.062 8.504 -0.442 17705 7150 1 18 . 1 1 38 38 GLY N N 4 110.102 110.102 110.073 0.029 17705 7151 1 18 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.956 -2.378 17705 7152 1 18 . 1 1 38 38 GLY H H 4 8.221 8.221 7.347 0.874 17705 7153 1 18 . 1 1 39 39 ARG N N 5 121.307 121.307 119.041 2.266 17705 7154 1 18 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.765 -0.183 17705 7155 1 18 . 1 1 39 39 ARG CA C 5 51.020 51.020 54.166 -3.146 17705 7156 1 18 . 1 1 39 39 ARG CB C 5 27.731 27.731 30.734 -3.003 17705 7157 1 18 . 1 1 39 39 ARG H H 5 7.967 7.967 8.322 -0.355 17705 7158 1 18 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.472 -0.141 17705 7159 1 18 . 1 1 42 42 PRO CA C 8 60.519 60.519 63.390 -2.871 17705 7160 1 18 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.686 -3.396 17705 7161 1 18 . 1 1 43 43 ASP N N 9 119.234 119.234 114.728 4.506 17705 7162 1 18 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.526 0.016 17705 7163 1 18 . 1 1 43 43 ASP CB C 9 38.419 38.419 40.919 -2.500 17705 7164 1 18 . 1 1 43 43 ASP H H 9 8.260 8.260 8.379 -0.119 17705 7165 1 18 . 1 1 44 44 VAL N N 10 119.005 119.005 114.596 4.409 17705 7166 1 18 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.668 0.363 17705 7167 1 18 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.318 -3.250 17705 7168 1 18 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.121 -0.273 17705 7169 1 18 . 1 1 44 44 VAL H H 10 7.903 7.903 7.593 0.310 17705 7170 1 18 . 1 1 45 45 GLU N N 11 122.556 122.556 119.908 2.648 17705 7171 1 18 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.193 -0.061 17705 7172 1 18 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.453 -2.695 17705 7173 1 18 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.067 -1.857 17705 7174 1 18 . 1 1 45 45 GLU H H 11 8.304 8.304 8.558 -0.254 17705 7175 1 18 . 1 1 46 46 GLY N N 12 108.250 108.250 104.606 3.644 17705 7176 1 18 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.830 -2.058 17705 7177 1 18 . 1 1 46 46 GLY H H 12 8.187 8.187 8.172 0.015 17705 7178 1 18 . 1 1 47 47 MET N N 13 118.678 118.678 117.491 1.187 17705 7179 1 18 . 1 1 47 47 MET HA H 13 4.606 4.606 5.170 -0.564 17705 7180 1 18 . 1 1 47 47 MET CB C 13 30.713 30.713 36.879 -6.166 17705 7181 1 18 . 1 1 47 47 MET H H 13 7.798 7.798 7.499 0.299 17705 7182 1 18 . 1 1 48 48 THR N N 14 116.971 116.971 113.937 3.034 17705 7183 1 18 . 1 1 48 48 THR HA H 14 4.469 4.469 4.574 -0.105 17705 7184 1 18 . 1 1 48 48 THR CA C 14 60.072 60.072 62.877 -2.805 17705 7185 1 18 . 1 1 48 48 THR CB C 14 67.533 67.533 71.023 -3.490 17705 7186 1 18 . 1 1 48 48 THR H H 14 8.693 8.693 8.407 0.286 17705 7187 1 18 . 1 1 49 49 SER N N 15 121.549 121.549 118.858 2.691 17705 7188 1 18 . 1 1 49 49 SER HA H 15 5.369 5.369 5.009 0.360 17705 7189 1 18 . 1 1 49 49 SER CA C 15 55.530 55.530 58.757 -3.227 17705 7190 1 18 . 1 1 49 49 SER CB C 15 62.465 62.465 64.001 -1.536 17705 7191 1 18 . 1 1 49 49 SER H H 15 8.813 8.813 7.874 0.939 17705 7192 1 18 . 1 1 50 50 LEU N N 16 122.760 122.760 125.103 -2.343 17705 7193 1 18 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.446 0.669 17705 7194 1 18 . 1 1 50 50 LEU CA C 16 50.197 50.197 54.053 -3.856 17705 7195 1 18 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.680 -3.059 17705 7196 1 18 . 1 1 50 50 LEU H H 16 9.287 9.287 8.302 0.985 17705 7197 1 18 . 1 1 51 51 LYS N N 17 123.384 123.384 123.190 0.194 17705 7198 1 18 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.242 -0.448 17705 7199 1 18 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.503 -1.922 17705 7200 1 18 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.947 -3.694 17705 7201 1 18 . 1 1 51 51 LYS H H 17 9.240 9.240 8.775 0.465 17705 7202 1 18 . 1 1 52 52 VAL N N 18 129.496 129.496 124.813 4.683 17705 7203 1 18 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.718 0.047 17705 7204 1 18 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.580 -2.350 17705 7205 1 18 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.846 -5.093 17705 7206 1 18 . 1 1 52 52 VAL H H 18 9.194 9.194 7.954 1.240 17705 7207 1 18 . 1 1 53 53 ASP N N 19 126.148 126.148 124.451 1.697 17705 7208 1 18 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.029 0.269 17705 7209 1 18 . 1 1 53 53 ASP CA C 19 50.063 50.063 51.905 -1.842 17705 7210 1 18 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.757 -2.024 17705 7211 1 18 . 1 1 53 53 ASP H H 19 9.382 9.382 8.840 0.542 17705 7212 1 18 . 1 1 54 54 ASN N N 20 113.840 113.840 117.808 -3.968 17705 7213 1 18 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.648 -0.190 17705 7214 1 18 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.260 -3.133 17705 7215 1 18 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.206 -3.156 17705 7216 1 18 . 1 1 54 54 ASN H H 20 8.736 8.736 8.614 0.122 17705 7217 1 18 . 1 1 55 55 LEU N N 21 115.267 115.267 121.129 -5.862 17705 7218 1 18 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.691 -0.302 17705 7219 1 18 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.358 -2.189 17705 7220 1 18 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.614 -4.439 17705 7221 1 18 . 1 1 55 55 LEU H H 21 7.661 7.661 8.582 -0.921 17705 7222 1 18 . 1 1 56 56 THR N N 22 111.721 111.721 114.652 -2.931 17705 7223 1 18 . 1 1 56 56 THR CB C 22 68.066 68.066 69.545 -1.479 17705 7224 1 18 . 1 1 56 56 THR H H 22 8.377 8.377 8.282 0.095 17705 7225 1 18 . 1 1 57 57 TYR N N 23 122.454 122.454 117.763 4.691 17705 7226 1 18 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.095 0.213 17705 7227 1 18 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.935 -3.358 17705 7228 1 18 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.966 -2.573 17705 7229 1 18 . 1 1 57 57 TYR H H 23 8.601 8.601 8.430 0.171 17705 7230 1 18 . 1 1 58 58 ARG N N 24 114.958 114.958 117.243 -2.285 17705 7231 1 18 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.199 0.015 17705 7232 1 18 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.691 -2.420 17705 7233 1 18 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.685 -3.297 17705 7234 1 18 . 1 1 58 58 ARG H H 24 7.366 7.366 7.737 -0.371 17705 7235 1 18 . 1 1 59 59 THR N N 25 119.016 119.016 115.435 3.581 17705 7236 1 18 . 1 1 59 59 THR HA H 25 4.037 4.037 4.043 -0.006 17705 7237 1 18 . 1 1 59 59 THR CA C 25 62.031 62.031 64.701 -2.670 17705 7238 1 18 . 1 1 59 59 THR CB C 25 65.705 65.705 69.022 -3.317 17705 7239 1 18 . 1 1 59 59 THR H H 25 7.356 7.356 8.143 -0.787 17705 7240 1 18 . 1 1 60 60 SER N N 26 124.554 124.554 112.183 12.371 17705 7241 1 18 . 1 1 60 60 SER HA H 26 4.834 4.834 4.194 0.640 17705 7242 1 18 . 1 1 60 60 SER CA C 26 52.978 52.978 58.139 -5.161 17705 7243 1 18 . 1 1 60 60 SER CB C 26 61.637 61.637 63.137 -1.500 17705 7244 1 18 . 1 1 60 60 SER H H 26 8.404 8.404 7.972 0.432 17705 7245 1 18 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.282 -0.241 17705 7246 1 18 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.262 -2.185 17705 7247 1 18 . 1 1 62 62 ASP N N 28 115.821 115.821 118.616 -2.795 17705 7248 1 18 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.459 -0.086 17705 7249 1 18 . 1 1 62 62 ASP CA C 28 54.581 54.581 58.001 -3.420 17705 7250 1 18 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.168 -1.953 17705 7251 1 18 . 1 1 62 62 ASP H H 28 8.022 8.022 8.747 -0.725 17705 7252 1 18 . 1 1 63 63 THR N N 29 118.403 118.403 117.011 1.392 17705 7253 1 18 . 1 1 63 63 THR HA H 29 3.898 3.898 4.108 -0.210 17705 7254 1 18 . 1 1 63 63 THR CA C 29 63.704 63.704 65.825 -2.121 17705 7255 1 18 . 1 1 63 63 THR CB C 29 65.555 65.555 68.803 -3.248 17705 7256 1 18 . 1 1 63 63 THR H H 29 7.791 7.791 7.643 0.148 17705 7257 1 18 . 1 1 64 64 LEU N N 30 119.247 119.247 121.299 -2.052 17705 7258 1 18 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.164 -0.126 17705 7259 1 18 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.807 -2.707 17705 7260 1 18 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.615 -1.813 17705 7261 1 18 . 1 1 64 64 LEU H H 30 7.607 7.607 7.626 -0.019 17705 7262 1 18 . 1 1 65 65 ARG N N 31 118.798 118.798 119.575 -0.777 17705 7263 1 18 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.147 -0.507 17705 7264 1 18 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.000 -0.685 17705 7265 1 18 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.660 -2.106 17705 7266 1 18 . 1 1 65 65 ARG H H 31 8.547 8.547 8.002 0.545 17705 7267 1 18 . 1 1 66 66 ARG N N 32 116.038 116.038 117.534 -1.496 17705 7268 1 18 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.329 -0.267 17705 7269 1 18 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.450 -1.764 17705 7270 1 18 . 1 1 66 66 ARG H H 32 7.732 7.732 7.658 0.074 17705 7271 1 18 . 1 1 67 67 VAL N N 33 115.825 115.825 118.190 -2.365 17705 7272 1 18 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.909 -0.065 17705 7273 1 18 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.565 -1.835 17705 7274 1 18 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.395 -2.905 17705 7275 1 18 . 1 1 67 67 VAL H H 33 7.837 7.837 7.623 0.214 17705 7276 1 18 . 1 1 68 68 PHE N N 34 116.175 116.175 116.425 -0.250 17705 7277 1 18 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.901 -0.404 17705 7278 1 18 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.503 0.751 17705 7279 1 18 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.235 -4.975 17705 7280 1 18 . 1 1 68 68 PHE H H 34 8.194 8.194 7.660 0.534 17705 7281 1 18 . 1 1 69 69 GLU N N 35 119.377 119.377 121.229 -1.852 17705 7282 1 18 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.224 0.825 17705 7283 1 18 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.012 -4.101 17705 7284 1 18 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.815 -2.593 17705 7285 1 18 . 1 1 69 69 GLU H H 35 8.669 8.669 8.886 -0.217 17705 7286 1 18 . 1 1 70 70 LYS N N 36 118.371 118.371 118.715 -0.344 17705 7287 1 18 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.032 -0.160 17705 7288 1 18 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.365 -2.886 17705 7289 1 18 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.471 -2.251 17705 7290 1 18 . 1 1 70 70 LYS H H 36 6.866 6.866 8.255 -1.389 17705 7291 1 18 . 1 1 71 71 TYR N N 37 115.053 115.053 118.194 -3.141 17705 7292 1 18 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.352 -0.039 17705 7293 1 18 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.777 -3.646 17705 7294 1 18 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.107 -2.345 17705 7295 1 18 . 1 1 71 71 TYR H H 37 7.637 7.637 7.786 -0.149 17705 7296 1 18 . 1 1 72 72 GLY N N 38 104.732 104.732 105.835 -1.103 17705 7297 1 18 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.356 -3.663 17705 7298 1 18 . 1 1 72 72 GLY H H 38 7.353 7.353 7.978 -0.625 17705 7299 1 18 . 1 1 73 73 ARG N N 39 115.823 115.823 119.056 -3.233 17705 7300 1 18 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.461 -0.135 17705 7301 1 18 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.843 -0.279 17705 7302 1 18 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.084 -5.233 17705 7303 1 18 . 1 1 73 73 ARG H H 39 7.975 7.975 8.159 -0.184 17705 7304 1 18 . 1 1 74 74 VAL N N 40 129.287 129.287 120.512 8.775 17705 7305 1 18 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.460 0.231 17705 7306 1 18 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.756 -1.479 17705 7307 1 18 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.419 -2.701 17705 7308 1 18 . 1 1 74 74 VAL H H 40 8.826 8.826 8.473 0.353 17705 7309 1 18 . 1 1 75 75 GLY N N 41 115.247 115.247 114.850 0.397 17705 7310 1 18 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.086 -2.876 17705 7311 1 18 . 1 1 75 75 GLY H H 41 9.023 9.023 8.157 0.866 17705 7312 1 18 . 1 1 76 76 ASP N N 42 117.313 117.313 118.501 -1.188 17705 7313 1 18 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.868 -0.221 17705 7314 1 18 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.802 -3.221 17705 7315 1 18 . 1 1 76 76 ASP H H 42 7.375 7.375 8.012 -0.637 17705 7316 1 18 . 1 1 77 77 VAL N N 43 121.209 121.209 123.114 -1.905 17705 7317 1 18 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.336 0.307 17705 7318 1 18 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.855 -1.813 17705 7319 1 18 . 1 1 77 77 VAL H H 43 7.799 7.799 8.492 -0.693 17705 7320 1 18 . 1 1 78 78 TYR N N 44 127.478 127.478 126.350 1.128 17705 7321 1 18 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.802 0.252 17705 7322 1 18 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.516 -3.623 17705 7323 1 18 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.010 -2.236 17705 7324 1 18 . 1 1 78 78 TYR H H 44 9.056 9.056 8.080 0.976 17705 7325 1 18 . 1 1 79 79 ILE N N 45 128.848 128.848 119.835 9.013 17705 7326 1 18 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.291 0.106 17705 7327 1 18 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.141 -1.486 17705 7328 1 18 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.845 -3.475 17705 7329 1 18 . 1 1 79 79 ILE H H 45 8.484 8.484 8.489 -0.005 17705 7330 1 18 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.668 -0.609 17705 7331 1 18 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.451 -2.690 17705 7332 1 18 . 1 1 81 81 ARG N N 47 119.796 119.796 120.075 -0.279 17705 7333 1 18 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.147 0.289 17705 7334 1 18 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.385 -0.411 17705 7335 1 18 . 1 1 81 81 ARG H H 47 8.131 8.131 7.947 0.184 17705 7336 1 18 . 1 1 82 82 ASP N N 48 122.427 122.427 120.377 2.050 17705 7337 1 18 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.329 0.108 17705 7338 1 18 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.371 -3.723 17705 7339 1 18 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.166 -0.812 17705 7340 1 18 . 1 1 82 82 ASP H H 48 8.511 8.511 8.393 0.118 17705 7341 1 18 . 1 1 83 83 ARG N N 49 124.150 124.150 119.414 4.736 17705 7342 1 18 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.456 -0.457 17705 7343 1 18 . 1 1 83 83 ARG CB C 49 27.658 27.658 29.709 -2.051 17705 7344 1 18 . 1 1 83 83 ARG H H 49 8.546 8.546 8.409 0.137 17705 7345 1 18 . 1 1 84 84 TYR N N 50 118.236 118.236 116.712 1.524 17705 7346 1 18 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.881 -0.228 17705 7347 1 18 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.352 -2.420 17705 7348 1 18 . 1 1 84 84 TYR H H 50 8.376 8.376 7.566 0.810 17705 7349 1 18 . 1 1 85 85 THR N N 51 111.445 111.445 113.204 -1.759 17705 7350 1 18 . 1 1 85 85 THR HA H 51 4.306 4.306 4.489 -0.183 17705 7351 1 18 . 1 1 85 85 THR CA C 51 59.280 59.280 60.864 -1.584 17705 7352 1 18 . 1 1 85 85 THR CB C 51 67.748 67.748 71.303 -3.555 17705 7353 1 18 . 1 1 85 85 THR H H 51 8.790 8.790 7.376 1.414 17705 7354 1 18 . 1 1 86 86 LYS N N 52 115.778 115.778 119.232 -3.454 17705 7355 1 18 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.605 -0.619 17705 7356 1 18 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.451 -0.261 17705 7357 1 18 . 1 1 86 86 LYS H H 52 7.947 7.947 8.452 -0.505 17705 7358 1 18 . 1 1 87 87 GLU N N 53 118.931 118.931 117.913 1.018 17705 7359 1 18 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.662 -0.340 17705 7360 1 18 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.106 -3.745 17705 7361 1 18 . 1 1 87 87 GLU H H 53 7.881 7.881 7.655 0.226 17705 7362 1 18 . 1 1 88 88 SER N N 54 116.268 116.268 112.708 3.560 17705 7363 1 18 . 1 1 88 88 SER HA H 54 4.324 4.324 4.916 -0.592 17705 7364 1 18 . 1 1 88 88 SER CA C 54 55.543 55.543 57.017 -1.474 17705 7365 1 18 . 1 1 88 88 SER CB C 54 61.291 61.291 65.832 -4.542 17705 7366 1 18 . 1 1 88 88 SER H H 54 8.472 8.472 8.420 0.052 17705 7367 1 18 . 1 1 89 89 ARG N N 55 121.084 121.084 120.317 0.767 17705 7368 1 18 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.472 -0.139 17705 7369 1 18 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.945 -2.706 17705 7370 1 18 . 1 1 89 89 ARG H H 55 8.121 8.121 8.404 -0.283 17705 7371 1 18 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.864 -1.669 17705 7372 1 18 . 1 1 90 90 GLY H H 56 8.334 8.334 8.753 -0.419 17705 7373 1 18 . 1 1 91 91 PHE N N 57 113.361 113.361 115.264 -1.903 17705 7374 1 18 . 1 1 91 91 PHE HA H 57 5.663 5.663 4.939 0.724 17705 7375 1 18 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.204 -3.320 17705 7376 1 18 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.567 -1.107 17705 7377 1 18 . 1 1 91 91 PHE H H 57 6.980 6.980 7.546 -0.566 17705 7378 1 18 . 1 1 92 92 ALA N N 58 118.350 118.350 123.230 -4.880 17705 7379 1 18 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.590 0.226 17705 7380 1 18 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.779 -3.610 17705 7381 1 18 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.430 1.851 17705 7382 1 18 . 1 1 92 92 ALA H H 58 8.854 8.854 8.126 0.728 17705 7383 1 18 . 1 1 93 93 PHE N N 59 116.210 116.210 118.853 -2.643 17705 7384 1 18 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.650 1.141 17705 7385 1 18 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.767 -3.028 17705 7386 1 18 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.100 -2.174 17705 7387 1 18 . 1 1 93 93 PHE H H 59 9.011 9.011 7.971 1.040 17705 7388 1 18 . 1 1 94 94 VAL N N 60 123.082 123.082 122.157 0.925 17705 7389 1 18 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.457 -0.110 17705 7390 1 18 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.736 -3.040 17705 7391 1 18 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.638 -1.045 17705 7392 1 18 . 1 1 94 94 VAL H H 60 8.878 8.878 7.611 1.267 17705 7393 1 18 . 1 1 95 95 ARG N N 61 125.689 125.689 127.421 -1.732 17705 7394 1 18 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.208 0.024 17705 7395 1 18 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.271 -2.086 17705 7396 1 18 . 1 1 95 95 ARG H H 61 8.649 8.649 8.957 -0.308 17705 7397 1 18 . 1 1 96 96 PHE N N 62 123.552 123.552 123.832 -0.280 17705 7398 1 18 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.681 0.148 17705 7399 1 18 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.503 -0.504 17705 7400 1 18 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.448 -1.965 17705 7401 1 18 . 1 1 96 96 PHE H H 62 9.152 9.152 8.487 0.665 17705 7402 1 18 . 1 1 97 97 HIS N N 63 119.487 119.487 118.698 0.789 17705 7403 1 18 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.678 -0.277 17705 7404 1 18 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.453 -3.036 17705 7405 1 18 . 1 1 97 97 HIS H H 63 7.904 7.904 8.024 -0.120 17705 7406 1 18 . 1 1 98 98 ASP N N 64 119.624 119.624 119.982 -0.358 17705 7407 1 18 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.920 0.112 17705 7408 1 18 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.237 -2.999 17705 7409 1 18 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.664 -1.094 17705 7410 1 18 . 1 1 98 98 ASP H H 64 9.103 9.103 7.924 1.179 17705 7411 1 18 . 1 1 99 99 LYS N N 65 127.479 127.479 125.960 1.519 17705 7412 1 18 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.156 -0.296 17705 7413 1 18 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.785 -1.661 17705 7414 1 18 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.271 -1.986 17705 7415 1 18 . 1 1 99 99 LYS H H 65 8.743 8.743 8.842 -0.099 17705 7416 1 18 . 1 1 100 100 ARG N N 66 118.795 118.795 119.060 -0.265 17705 7417 1 18 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.236 -0.173 17705 7418 1 18 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.618 -2.558 17705 7419 1 18 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.495 -2.722 17705 7420 1 18 . 1 1 100 100 ARG H H 66 8.604 8.604 8.911 -0.307 17705 7421 1 18 . 1 1 101 101 ASP N N 67 119.686 119.686 119.241 0.445 17705 7422 1 18 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.650 -0.448 17705 7423 1 18 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.186 -2.968 17705 7424 1 18 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.525 -2.451 17705 7425 1 18 . 1 1 101 101 ASP H H 67 7.105 7.105 7.929 -0.824 17705 7426 1 18 . 1 1 102 102 ALA N N 68 119.709 119.709 123.093 -3.384 17705 7427 1 18 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.674 -0.848 17705 7428 1 18 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.819 -3.140 17705 7429 1 18 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.559 -2.969 17705 7430 1 18 . 1 1 102 102 ALA H H 68 6.848 6.848 7.983 -1.135 17705 7431 1 18 . 1 1 103 103 GLU N N 69 117.431 117.431 119.914 -2.483 17705 7432 1 18 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.878 -0.223 17705 7433 1 18 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.975 -2.806 17705 7434 1 18 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.554 -3.054 17705 7435 1 18 . 1 1 103 103 GLU H H 69 8.008 8.008 8.455 -0.447 17705 7436 1 18 . 1 1 104 104 ASP N N 70 120.512 120.512 119.092 1.420 17705 7437 1 18 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.403 -0.137 17705 7438 1 18 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.482 -2.965 17705 7439 1 18 . 1 1 104 104 ASP H H 70 8.022 8.022 7.709 0.313 17705 7440 1 18 . 1 1 105 105 ALA N N 71 122.325 122.325 122.003 0.322 17705 7441 1 18 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.586 0.199 17705 7442 1 18 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.434 -2.700 17705 7443 1 18 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.349 -1.201 17705 7444 1 18 . 1 1 105 105 ALA H H 71 8.109 8.109 7.362 0.747 17705 7445 1 18 . 1 1 106 106 MET N N 72 118.595 118.595 118.365 0.230 17705 7446 1 18 . 1 1 106 106 MET HA H 72 3.657 3.657 4.068 -0.411 17705 7447 1 18 . 1 1 106 106 MET CA C 72 57.163 57.163 58.720 -1.557 17705 7448 1 18 . 1 1 106 106 MET CB C 72 30.248 30.248 32.770 -2.522 17705 7449 1 18 . 1 1 106 106 MET H H 72 8.293 8.293 8.176 0.117 17705 7450 1 18 . 1 1 107 107 ASP N N 73 117.126 117.126 118.413 -1.287 17705 7451 1 18 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.462 -0.138 17705 7452 1 18 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.721 -1.673 17705 7453 1 18 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.862 -2.514 17705 7454 1 18 . 1 1 107 107 ASP H H 73 7.784 7.784 8.001 -0.217 17705 7455 1 18 . 1 1 108 108 ALA N N 74 117.971 117.971 117.904 0.067 17705 7456 1 18 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.450 -0.339 17705 7457 1 18 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.264 -0.889 17705 7458 1 18 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.437 -2.784 17705 7459 1 18 . 1 1 108 108 ALA H H 74 7.366 7.366 7.397 -0.031 17705 7460 1 18 . 1 1 109 109 MET N N 75 112.248 112.248 114.821 -2.573 17705 7461 1 18 . 1 1 109 109 MET HA H 75 4.756 4.756 4.544 0.212 17705 7462 1 18 . 1 1 109 109 MET CA C 75 50.696 50.696 54.366 -3.670 17705 7463 1 18 . 1 1 109 109 MET H H 75 8.077 8.077 7.392 0.685 17705 7464 1 18 . 1 1 110 110 ASP N N 76 120.144 120.144 121.728 -1.584 17705 7465 1 18 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.397 0.016 17705 7466 1 18 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.936 -1.006 17705 7467 1 18 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.852 -2.272 17705 7468 1 18 . 1 1 110 110 ASP H H 76 7.915 7.915 7.918 -0.003 17705 7469 1 18 . 1 1 111 111 GLY N N 77 117.810 117.810 114.358 3.452 17705 7470 1 18 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.803 -2.955 17705 7471 1 18 . 1 1 111 111 GLY H H 77 8.680 8.680 8.651 0.029 17705 7472 1 18 . 1 1 112 112 ALA N N 78 123.748 123.748 121.500 2.248 17705 7473 1 18 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.263 0.064 17705 7474 1 18 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.569 -2.601 17705 7475 1 18 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.463 -1.984 17705 7476 1 18 . 1 1 112 112 ALA H H 78 7.918 7.918 7.586 0.332 17705 7477 1 18 . 1 1 113 113 VAL N N 79 118.622 118.622 117.608 1.014 17705 7478 1 18 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.820 0.820 17705 7479 1 18 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.654 -2.032 17705 7480 1 18 . 1 1 113 113 VAL H H 79 8.091 8.091 7.934 0.157 17705 7481 1 18 . 1 1 114 114 LEU N N 80 129.451 129.451 120.122 9.329 17705 7482 1 18 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.360 0.185 17705 7483 1 18 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.339 -4.391 17705 7484 1 18 . 1 1 114 114 LEU CB C 80 42.680 42.680 40.972 1.708 17705 7485 1 18 . 1 1 114 114 LEU H H 80 8.875 8.875 8.207 0.668 17705 7486 1 18 . 1 1 115 115 ASP N N 81 129.610 129.610 117.263 12.347 17705 7487 1 18 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.824 -0.591 17705 7488 1 18 . 1 1 115 115 ASP CA C 81 52.275 52.275 55.319 -3.044 17705 7489 1 18 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.247 -4.989 17705 7490 1 18 . 1 1 115 115 ASP H H 81 9.445 9.445 8.279 1.166 17705 7491 1 18 . 1 1 116 116 GLY N N 82 100.657 100.657 107.851 -7.194 17705 7492 1 18 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.290 -2.405 17705 7493 1 18 . 1 1 116 116 GLY H H 82 8.008 8.008 8.269 -0.261 17705 7494 1 18 . 1 1 117 117 ARG N N 83 120.179 120.179 118.161 2.018 17705 7495 1 18 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.646 -0.100 17705 7496 1 18 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.175 -5.227 17705 7497 1 18 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.620 -1.052 17705 7498 1 18 . 1 1 117 117 ARG H H 83 7.499 7.499 8.234 -0.735 17705 7499 1 18 . 1 1 118 118 GLU N N 84 121.274 121.274 119.299 1.975 17705 7500 1 18 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.225 0.094 17705 7501 1 18 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.314 -3.297 17705 7502 1 18 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.824 -2.635 17705 7503 1 18 . 1 1 118 118 GLU H H 84 8.369 8.369 8.121 0.248 17705 7504 1 18 . 1 1 119 119 LEU N N 85 128.104 128.104 122.996 5.108 17705 7505 1 18 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.120 0.430 17705 7506 1 18 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.388 -4.602 17705 7507 1 18 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.480 -1.592 17705 7508 1 18 . 1 1 119 119 LEU H H 85 9.356 9.356 8.490 0.866 17705 7509 1 18 . 1 1 120 120 ARG N N 86 121.349 121.349 121.263 0.086 17705 7510 1 18 . 1 1 120 120 ARG HA H 86 5.154 5.154 4.984 0.170 17705 7511 1 18 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.748 -2.099 17705 7512 1 18 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.445 -3.870 17705 7513 1 18 . 1 1 120 120 ARG H H 86 7.677 7.677 8.287 -0.610 17705 7514 1 18 . 1 1 121 121 VAL N N 87 126.888 126.888 122.750 4.138 17705 7515 1 18 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.813 0.328 17705 7516 1 18 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.545 -2.020 17705 7517 1 18 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.842 -2.909 17705 7518 1 18 . 1 1 121 121 VAL H H 87 9.435 9.435 8.203 1.232 17705 7519 1 18 . 1 1 122 122 GLN N N 88 122.184 122.184 120.091 2.093 17705 7520 1 18 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.707 0.228 17705 7521 1 18 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.840 -2.850 17705 7522 1 18 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.799 -0.439 17705 7523 1 18 . 1 1 122 122 GLN H H 88 8.520 8.520 8.784 -0.264 17705 7524 1 18 . 1 1 123 123 MET N N 89 122.187 122.187 120.333 1.854 17705 7525 1 18 . 1 1 123 123 MET HA H 89 4.660 4.660 4.290 0.370 17705 7526 1 18 . 1 1 123 123 MET CB C 89 29.398 29.398 31.897 -2.499 17705 7527 1 18 . 1 1 123 123 MET H H 89 8.699 8.699 8.951 -0.252 17705 7528 1 18 . 1 1 124 124 ALA N N 90 127.406 127.406 126.730 0.676 17705 7529 1 18 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.119 0.330 17705 7530 1 18 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.361 -2.779 17705 7531 1 18 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.064 -2.265 17705 7532 1 18 . 1 1 124 124 ALA H H 90 8.592 8.592 8.746 -0.154 17705 7533 1 18 . 1 1 125 125 ARG N N 91 119.981 119.981 113.987 5.994 17705 7534 1 18 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.814 0.505 17705 7535 1 18 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.407 -4.189 17705 7536 1 18 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.709 0.926 17705 7537 1 18 . 1 1 125 125 ARG H H 91 8.299 8.299 8.023 0.276 17705 7538 1 18 . 1 1 126 126 TYR N N 92 121.757 121.757 117.055 4.702 17705 7539 1 18 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.702 -0.236 17705 7540 1 18 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.241 -1.151 17705 7541 1 18 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.744 -2.274 17705 7542 1 18 . 1 1 126 126 TYR H H 92 8.182 8.182 8.017 0.165 17705 7543 1 18 . 1 1 127 127 GLY N N 93 110.707 110.707 106.102 4.605 17705 7544 1 18 . 1 1 127 127 GLY CA C 93 42.342 42.342 44.815 -2.473 17705 7545 1 18 . 1 1 127 127 GLY H H 93 7.969 7.969 7.806 0.163 17705 7546 1 18 . 1 1 128 128 ARG N N 94 121.504 121.504 118.760 2.744 17705 7547 1 18 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.869 -0.404 17705 7548 1 18 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.143 -2.094 17705 7549 1 18 . 1 1 128 128 ARG H H 94 7.930 7.930 8.411 -0.481 17705 7550 1 18 . 1 1 131 131 ASP N N 97 120.004 120.004 117.776 2.228 17705 7551 1 18 . 1 1 131 131 ASP H H 97 8.289 8.289 7.691 0.598 17705 7552 1 18 . 1 1 132 132 SER N N 98 115.594 115.594 113.871 1.723 17705 7553 1 18 . 1 1 132 132 SER HA H 98 4.348 4.348 4.693 -0.345 17705 7554 1 18 . 1 1 132 132 SER CB C 98 61.181 61.181 64.265 -3.084 17705 7555 1 18 . 1 1 132 132 SER H H 98 8.128 8.128 8.190 -0.062 17705 7556 1 18 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.951 -3.882 17705 7557 1 18 . 1 1 133 133 HIS H H 99 8.290 8.290 8.603 -0.313 17705 7558 1 18 . 1 1 134 134 HIS N N 100 120.371 120.371 119.018 1.353 17705 7559 1 18 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.442 -4.392 17705 7560 1 18 . 1 1 134 134 HIS H H 100 7.251 7.251 7.964 -0.713 17705 7561 1 19 . 1 1 36 36 SER N N 2 116.240 116.240 117.933 -1.693 17705 7562 1 19 . 1 1 36 36 SER HA H 2 4.389 4.389 4.723 -0.334 17705 7563 1 19 . 1 1 36 36 SER CB C 2 61.141 61.141 65.096 -3.955 17705 7564 1 19 . 1 1 36 36 SER H H 2 8.111 8.111 8.046 0.065 17705 7565 1 19 . 1 1 37 37 TYR N N 3 121.776 121.776 114.298 7.478 17705 7566 1 19 . 1 1 37 37 TYR HA H 3 4.545 4.545 5.550 -1.005 17705 7567 1 19 . 1 1 37 37 TYR CA C 3 55.295 55.295 56.772 -1.477 17705 7568 1 19 . 1 1 37 37 TYR CB C 3 36.113 36.113 40.655 -4.542 17705 7569 1 19 . 1 1 37 37 TYR H H 3 8.062 8.062 7.832 0.230 17705 7570 1 19 . 1 1 38 38 GLY N N 4 110.102 110.102 107.216 2.886 17705 7571 1 19 . 1 1 38 38 GLY CA C 4 42.578 42.578 45.435 -2.857 17705 7572 1 19 . 1 1 38 38 GLY H H 4 8.221 8.221 8.839 -0.618 17705 7573 1 19 . 1 1 39 39 ARG N N 5 121.307 121.307 118.472 2.835 17705 7574 1 19 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.811 -0.229 17705 7575 1 19 . 1 1 39 39 ARG CA C 5 51.020 51.020 52.998 -1.978 17705 7576 1 19 . 1 1 39 39 ARG CB C 5 27.731 27.731 29.511 -1.780 17705 7577 1 19 . 1 1 39 39 ARG H H 5 7.967 7.967 7.836 0.131 17705 7578 1 19 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.596 -0.265 17705 7579 1 19 . 1 1 42 42 PRO CA C 8 60.519 60.519 62.833 -2.313 17705 7580 1 19 . 1 1 42 42 PRO CB C 8 29.290 29.290 33.060 -3.770 17705 7581 1 19 . 1 1 43 43 ASP N N 9 119.234 119.234 116.696 2.538 17705 7582 1 19 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.635 -0.093 17705 7583 1 19 . 1 1 43 43 ASP CB C 9 38.419 38.419 42.694 -4.276 17705 7584 1 19 . 1 1 43 43 ASP H H 9 8.260 8.260 8.591 -0.331 17705 7585 1 19 . 1 1 44 44 VAL N N 10 119.005 119.005 115.599 3.406 17705 7586 1 19 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.669 0.362 17705 7587 1 19 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.359 -3.291 17705 7588 1 19 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.733 -0.885 17705 7589 1 19 . 1 1 44 44 VAL H H 10 7.903 7.903 7.755 0.148 17705 7590 1 19 . 1 1 45 45 GLU N N 11 122.556 122.556 119.118 3.438 17705 7591 1 19 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.166 -0.034 17705 7592 1 19 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.981 -3.223 17705 7593 1 19 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.151 -1.941 17705 7594 1 19 . 1 1 45 45 GLU H H 11 8.304 8.304 8.820 -0.516 17705 7595 1 19 . 1 1 46 46 GLY N N 12 108.250 108.250 104.487 3.763 17705 7596 1 19 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.914 -2.142 17705 7597 1 19 . 1 1 46 46 GLY H H 12 8.187 8.187 7.841 0.346 17705 7598 1 19 . 1 1 47 47 MET N N 13 118.678 118.678 120.887 -2.209 17705 7599 1 19 . 1 1 47 47 MET HA H 13 4.606 4.606 4.913 -0.307 17705 7600 1 19 . 1 1 47 47 MET CB C 13 30.713 30.713 35.726 -5.013 17705 7601 1 19 . 1 1 47 47 MET H H 13 7.798 7.798 7.371 0.427 17705 7602 1 19 . 1 1 48 48 THR N N 14 116.971 116.971 116.768 0.203 17705 7603 1 19 . 1 1 48 48 THR HA H 14 4.469 4.469 4.755 -0.286 17705 7604 1 19 . 1 1 48 48 THR CA C 14 60.072 60.072 60.999 -0.927 17705 7605 1 19 . 1 1 48 48 THR CB C 14 67.533 67.533 71.438 -3.905 17705 7606 1 19 . 1 1 48 48 THR H H 14 8.693 8.693 8.506 0.187 17705 7607 1 19 . 1 1 49 49 SER N N 15 121.549 121.549 114.233 7.316 17705 7608 1 19 . 1 1 49 49 SER HA H 15 5.369 5.369 4.546 0.823 17705 7609 1 19 . 1 1 49 49 SER CA C 15 55.530 55.530 59.239 -3.709 17705 7610 1 19 . 1 1 49 49 SER CB C 15 62.465 62.465 63.563 -1.098 17705 7611 1 19 . 1 1 49 49 SER H H 15 8.813 8.813 8.611 0.202 17705 7612 1 19 . 1 1 50 50 LEU N N 16 122.760 122.760 123.447 -0.687 17705 7613 1 19 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.495 0.620 17705 7614 1 19 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.037 -2.840 17705 7615 1 19 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.496 -2.875 17705 7616 1 19 . 1 1 50 50 LEU H H 16 9.287 9.287 8.422 0.865 17705 7617 1 19 . 1 1 51 51 LYS N N 17 123.384 123.384 123.450 -0.066 17705 7618 1 19 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.320 -0.526 17705 7619 1 19 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.563 -1.982 17705 7620 1 19 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.949 -3.696 17705 7621 1 19 . 1 1 51 51 LYS H H 17 9.240 9.240 8.675 0.565 17705 7622 1 19 . 1 1 52 52 VAL N N 18 129.496 129.496 125.030 4.466 17705 7623 1 19 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.858 -0.093 17705 7624 1 19 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.659 -2.429 17705 7625 1 19 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.632 -4.879 17705 7626 1 19 . 1 1 52 52 VAL H H 18 9.194 9.194 7.955 1.239 17705 7627 1 19 . 1 1 53 53 ASP N N 19 126.148 126.148 125.660 0.488 17705 7628 1 19 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.041 0.257 17705 7629 1 19 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.083 -2.020 17705 7630 1 19 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.941 -2.208 17705 7631 1 19 . 1 1 53 53 ASP H H 19 9.382 9.382 8.966 0.416 17705 7632 1 19 . 1 1 54 54 ASN N N 20 113.840 113.840 117.552 -3.712 17705 7633 1 19 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.668 -0.210 17705 7634 1 19 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.162 -3.035 17705 7635 1 19 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.216 -3.166 17705 7636 1 19 . 1 1 54 54 ASN H H 20 8.736 8.736 8.701 0.035 17705 7637 1 19 . 1 1 55 55 LEU N N 21 115.267 115.267 122.023 -6.756 17705 7638 1 19 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.765 -0.376 17705 7639 1 19 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.693 -2.524 17705 7640 1 19 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.820 -4.645 17705 7641 1 19 . 1 1 55 55 LEU H H 21 7.661 7.661 8.651 -0.990 17705 7642 1 19 . 1 1 56 56 THR N N 22 111.721 111.721 114.345 -2.624 17705 7643 1 19 . 1 1 56 56 THR CB C 22 68.066 68.066 69.643 -1.577 17705 7644 1 19 . 1 1 56 56 THR H H 22 8.377 8.377 8.644 -0.267 17705 7645 1 19 . 1 1 57 57 TYR N N 23 122.454 122.454 116.659 5.795 17705 7646 1 19 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.210 0.098 17705 7647 1 19 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.431 -2.854 17705 7648 1 19 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.153 -1.760 17705 7649 1 19 . 1 1 57 57 TYR H H 23 8.601 8.601 8.086 0.515 17705 7650 1 19 . 1 1 58 58 ARG N N 24 114.958 114.958 118.260 -3.302 17705 7651 1 19 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.247 -0.033 17705 7652 1 19 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.466 -2.195 17705 7653 1 19 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.869 -3.481 17705 7654 1 19 . 1 1 58 58 ARG H H 24 7.366 7.366 7.727 -0.361 17705 7655 1 19 . 1 1 59 59 THR N N 25 119.016 119.016 115.464 3.552 17705 7656 1 19 . 1 1 59 59 THR HA H 25 4.037 4.037 4.087 -0.050 17705 7657 1 19 . 1 1 59 59 THR CA C 25 62.031 62.031 64.924 -2.893 17705 7658 1 19 . 1 1 59 59 THR CB C 25 65.705 65.705 68.970 -3.265 17705 7659 1 19 . 1 1 59 59 THR H H 25 7.356 7.356 8.137 -0.781 17705 7660 1 19 . 1 1 60 60 SER N N 26 124.554 124.554 113.579 10.975 17705 7661 1 19 . 1 1 60 60 SER HA H 26 4.834 4.834 4.205 0.629 17705 7662 1 19 . 1 1 60 60 SER CA C 26 52.978 52.978 58.470 -5.492 17705 7663 1 19 . 1 1 60 60 SER CB C 26 61.637 61.637 62.942 -1.305 17705 7664 1 19 . 1 1 60 60 SER H H 26 8.404 8.404 7.835 0.569 17705 7665 1 19 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.287 -0.246 17705 7666 1 19 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.478 -2.401 17705 7667 1 19 . 1 1 62 62 ASP N N 28 115.821 115.821 117.521 -1.700 17705 7668 1 19 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.476 -0.103 17705 7669 1 19 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.657 -3.076 17705 7670 1 19 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.712 -2.497 17705 7671 1 19 . 1 1 62 62 ASP H H 28 8.022 8.022 8.600 -0.578 17705 7672 1 19 . 1 1 63 63 THR N N 29 118.403 118.403 116.203 2.200 17705 7673 1 19 . 1 1 63 63 THR HA H 29 3.898 3.898 4.047 -0.149 17705 7674 1 19 . 1 1 63 63 THR CA C 29 63.704 63.704 66.078 -2.374 17705 7675 1 19 . 1 1 63 63 THR CB C 29 65.555 65.555 68.809 -3.254 17705 7676 1 19 . 1 1 63 63 THR H H 29 7.791 7.791 7.614 0.177 17705 7677 1 19 . 1 1 64 64 LEU N N 30 119.247 119.247 121.339 -2.092 17705 7678 1 19 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.190 -0.152 17705 7679 1 19 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.855 -2.755 17705 7680 1 19 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.649 -1.847 17705 7681 1 19 . 1 1 64 64 LEU H H 30 7.607 7.607 7.653 -0.046 17705 7682 1 19 . 1 1 65 65 ARG N N 31 118.798 118.798 119.377 -0.579 17705 7683 1 19 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.099 -0.459 17705 7684 1 19 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.016 -0.701 17705 7685 1 19 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.848 -2.294 17705 7686 1 19 . 1 1 65 65 ARG H H 31 8.547 8.547 8.098 0.449 17705 7687 1 19 . 1 1 66 66 ARG N N 32 116.038 116.038 117.592 -1.554 17705 7688 1 19 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.318 -0.256 17705 7689 1 19 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.479 -1.793 17705 7690 1 19 . 1 1 66 66 ARG H H 32 7.732 7.732 7.743 -0.011 17705 7691 1 19 . 1 1 67 67 VAL N N 33 115.825 115.825 118.067 -2.242 17705 7692 1 19 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.954 -0.110 17705 7693 1 19 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.204 -1.474 17705 7694 1 19 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.297 -2.807 17705 7695 1 19 . 1 1 67 67 VAL H H 33 7.837 7.837 7.529 0.308 17705 7696 1 19 . 1 1 68 68 PHE N N 34 116.175 116.175 116.753 -0.578 17705 7697 1 19 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.897 -0.400 17705 7698 1 19 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.429 0.825 17705 7699 1 19 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.221 -4.961 17705 7700 1 19 . 1 1 68 68 PHE H H 34 8.194 8.194 7.752 0.442 17705 7701 1 19 . 1 1 69 69 GLU N N 35 119.377 119.377 121.231 -1.854 17705 7702 1 19 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.188 0.861 17705 7703 1 19 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.933 -4.022 17705 7704 1 19 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.818 -2.596 17705 7705 1 19 . 1 1 69 69 GLU H H 35 8.669 8.669 8.897 -0.228 17705 7706 1 19 . 1 1 70 70 LYS N N 36 118.371 118.371 118.704 -0.333 17705 7707 1 19 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.027 -0.155 17705 7708 1 19 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.355 -2.877 17705 7709 1 19 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.483 -2.263 17705 7710 1 19 . 1 1 70 70 LYS H H 36 6.866 6.866 8.240 -1.374 17705 7711 1 19 . 1 1 71 71 TYR N N 37 115.053 115.053 118.345 -3.292 17705 7712 1 19 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.361 -0.048 17705 7713 1 19 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.976 -3.845 17705 7714 1 19 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.145 -2.384 17705 7715 1 19 . 1 1 71 71 TYR H H 37 7.637 7.637 7.764 -0.127 17705 7716 1 19 . 1 1 72 72 GLY N N 38 104.732 104.732 105.716 -0.984 17705 7717 1 19 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.315 -3.622 17705 7718 1 19 . 1 1 72 72 GLY H H 38 7.353 7.353 7.964 -0.611 17705 7719 1 19 . 1 1 73 73 ARG N N 39 115.823 115.823 118.989 -3.166 17705 7720 1 19 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.511 -0.185 17705 7721 1 19 . 1 1 73 73 ARG CA C 39 54.564 54.564 54.792 -0.228 17705 7722 1 19 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.057 -5.206 17705 7723 1 19 . 1 1 73 73 ARG H H 39 7.975 7.975 8.123 -0.148 17705 7724 1 19 . 1 1 74 74 VAL N N 40 129.287 129.287 120.421 8.866 17705 7725 1 19 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.497 0.194 17705 7726 1 19 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.737 -1.460 17705 7727 1 19 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.484 -2.766 17705 7728 1 19 . 1 1 74 74 VAL H H 40 8.826 8.826 8.476 0.350 17705 7729 1 19 . 1 1 75 75 GLY N N 41 115.247 115.247 114.992 0.255 17705 7730 1 19 . 1 1 75 75 GLY CA C 41 43.210 43.210 45.893 -2.683 17705 7731 1 19 . 1 1 75 75 GLY H H 41 9.023 9.023 8.170 0.853 17705 7732 1 19 . 1 1 76 76 ASP N N 42 117.313 117.313 118.817 -1.504 17705 7733 1 19 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.836 -0.189 17705 7734 1 19 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.577 -2.996 17705 7735 1 19 . 1 1 76 76 ASP H H 42 7.375 7.375 8.210 -0.835 17705 7736 1 19 . 1 1 77 77 VAL N N 43 121.209 121.209 122.829 -1.620 17705 7737 1 19 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.321 0.322 17705 7738 1 19 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.816 -1.774 17705 7739 1 19 . 1 1 77 77 VAL H H 43 7.799 7.799 8.479 -0.680 17705 7740 1 19 . 1 1 78 78 TYR N N 44 127.478 127.478 126.434 1.044 17705 7741 1 19 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.809 0.245 17705 7742 1 19 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.479 -3.586 17705 7743 1 19 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.029 -2.255 17705 7744 1 19 . 1 1 78 78 TYR H H 44 9.056 9.056 8.079 0.977 17705 7745 1 19 . 1 1 79 79 ILE N N 45 128.848 128.848 119.978 8.870 17705 7746 1 19 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.272 0.125 17705 7747 1 19 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.125 -1.470 17705 7748 1 19 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.909 -3.539 17705 7749 1 19 . 1 1 79 79 ILE H H 45 8.484 8.484 8.488 -0.004 17705 7750 1 19 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.694 -0.635 17705 7751 1 19 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.532 -2.771 17705 7752 1 19 . 1 1 81 81 ARG N N 47 119.796 119.796 119.830 -0.034 17705 7753 1 19 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.104 0.332 17705 7754 1 19 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.765 -0.791 17705 7755 1 19 . 1 1 81 81 ARG H H 47 8.131 8.131 7.996 0.135 17705 7756 1 19 . 1 1 82 82 ASP N N 48 122.427 122.427 119.480 2.947 17705 7757 1 19 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.468 -0.031 17705 7758 1 19 . 1 1 82 82 ASP CA C 48 51.648 51.648 54.853 -3.205 17705 7759 1 19 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.997 -1.643 17705 7760 1 19 . 1 1 82 82 ASP H H 48 8.511 8.511 8.055 0.456 17705 7761 1 19 . 1 1 83 83 ARG N N 49 124.150 124.150 119.908 4.242 17705 7762 1 19 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.381 -0.382 17705 7763 1 19 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.951 -4.293 17705 7764 1 19 . 1 1 83 83 ARG H H 49 8.546 8.546 8.318 0.228 17705 7765 1 19 . 1 1 84 84 TYR N N 50 118.236 118.236 115.507 2.729 17705 7766 1 19 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.947 -0.294 17705 7767 1 19 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.837 -2.905 17705 7768 1 19 . 1 1 84 84 TYR H H 50 8.376 8.376 8.619 -0.243 17705 7769 1 19 . 1 1 85 85 THR N N 51 111.445 111.445 111.956 -0.511 17705 7770 1 19 . 1 1 85 85 THR HA H 51 4.306 4.306 4.701 -0.395 17705 7771 1 19 . 1 1 85 85 THR CA C 51 59.280 59.280 59.804 -0.524 17705 7772 1 19 . 1 1 85 85 THR CB C 51 67.748 67.748 71.222 -3.474 17705 7773 1 19 . 1 1 85 85 THR H H 51 8.790 8.790 7.461 1.329 17705 7774 1 19 . 1 1 86 86 LYS N N 52 115.778 115.778 120.401 -4.623 17705 7775 1 19 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.528 -0.542 17705 7776 1 19 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.488 -0.298 17705 7777 1 19 . 1 1 86 86 LYS H H 52 7.947 7.947 8.636 -0.689 17705 7778 1 19 . 1 1 87 87 GLU N N 53 118.931 118.931 116.289 2.642 17705 7779 1 19 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.770 -0.448 17705 7780 1 19 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.985 -3.624 17705 7781 1 19 . 1 1 87 87 GLU H H 53 7.881 7.881 7.543 0.338 17705 7782 1 19 . 1 1 88 88 SER N N 54 116.268 116.268 114.015 2.253 17705 7783 1 19 . 1 1 88 88 SER HA H 54 4.324 4.324 4.854 -0.530 17705 7784 1 19 . 1 1 88 88 SER CA C 54 55.543 55.543 56.588 -1.045 17705 7785 1 19 . 1 1 88 88 SER CB C 54 61.291 61.291 66.572 -5.281 17705 7786 1 19 . 1 1 88 88 SER H H 54 8.472 8.472 8.377 0.095 17705 7787 1 19 . 1 1 89 89 ARG N N 55 121.084 121.084 119.216 1.868 17705 7788 1 19 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.343 -0.010 17705 7789 1 19 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.348 -2.109 17705 7790 1 19 . 1 1 89 89 ARG H H 55 8.121 8.121 8.587 -0.466 17705 7791 1 19 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.969 -1.774 17705 7792 1 19 . 1 1 90 90 GLY H H 56 8.334 8.334 8.035 0.299 17705 7793 1 19 . 1 1 91 91 PHE N N 57 113.361 113.361 114.610 -1.249 17705 7794 1 19 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.006 0.657 17705 7795 1 19 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.207 -3.323 17705 7796 1 19 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.449 -0.989 17705 7797 1 19 . 1 1 91 91 PHE H H 57 6.980 6.980 7.616 -0.636 17705 7798 1 19 . 1 1 92 92 ALA N N 58 118.350 118.350 123.172 -4.822 17705 7799 1 19 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.510 0.306 17705 7800 1 19 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.603 -3.434 17705 7801 1 19 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.320 1.961 17705 7802 1 19 . 1 1 92 92 ALA H H 58 8.854 8.854 8.101 0.753 17705 7803 1 19 . 1 1 93 93 PHE N N 59 116.210 116.210 118.818 -2.608 17705 7804 1 19 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.686 1.105 17705 7805 1 19 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.493 -2.754 17705 7806 1 19 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.124 -2.198 17705 7807 1 19 . 1 1 93 93 PHE H H 59 9.011 9.011 8.002 1.009 17705 7808 1 19 . 1 1 94 94 VAL N N 60 123.082 123.082 121.674 1.408 17705 7809 1 19 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.322 0.025 17705 7810 1 19 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.773 -3.077 17705 7811 1 19 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.935 -1.343 17705 7812 1 19 . 1 1 94 94 VAL H H 60 8.878 8.878 7.616 1.262 17705 7813 1 19 . 1 1 95 95 ARG N N 61 125.689 125.689 126.039 -0.350 17705 7814 1 19 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.317 -0.085 17705 7815 1 19 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.379 -2.194 17705 7816 1 19 . 1 1 95 95 ARG H H 61 8.649 8.649 9.014 -0.365 17705 7817 1 19 . 1 1 96 96 PHE N N 62 123.552 123.552 123.375 0.177 17705 7818 1 19 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.691 0.138 17705 7819 1 19 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.286 -0.287 17705 7820 1 19 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.463 -1.980 17705 7821 1 19 . 1 1 96 96 PHE H H 62 9.152 9.152 8.498 0.654 17705 7822 1 19 . 1 1 97 97 HIS N N 63 119.487 119.487 117.779 1.708 17705 7823 1 19 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.708 -0.307 17705 7824 1 19 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.502 -3.085 17705 7825 1 19 . 1 1 97 97 HIS H H 63 7.904 7.904 7.987 -0.083 17705 7826 1 19 . 1 1 98 98 ASP N N 64 119.624 119.624 120.004 -0.380 17705 7827 1 19 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.913 0.119 17705 7828 1 19 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.309 -3.071 17705 7829 1 19 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.787 -1.217 17705 7830 1 19 . 1 1 98 98 ASP H H 64 9.103 9.103 7.925 1.178 17705 7831 1 19 . 1 1 99 99 LYS N N 65 127.479 127.479 125.754 1.725 17705 7832 1 19 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.076 -0.216 17705 7833 1 19 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.684 -1.560 17705 7834 1 19 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.319 -2.034 17705 7835 1 19 . 1 1 99 99 LYS H H 65 8.743 8.743 8.834 -0.091 17705 7836 1 19 . 1 1 100 100 ARG N N 66 118.795 118.795 118.898 -0.103 17705 7837 1 19 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.214 -0.151 17705 7838 1 19 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.375 -2.315 17705 7839 1 19 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.513 -2.740 17705 7840 1 19 . 1 1 100 100 ARG H H 66 8.604 8.604 8.928 -0.324 17705 7841 1 19 . 1 1 101 101 ASP N N 67 119.686 119.686 119.083 0.603 17705 7842 1 19 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.639 -0.437 17705 7843 1 19 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.381 -3.163 17705 7844 1 19 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.533 -2.459 17705 7845 1 19 . 1 1 101 101 ASP H H 67 7.105 7.105 7.975 -0.870 17705 7846 1 19 . 1 1 102 102 ALA N N 68 119.709 119.709 122.743 -3.034 17705 7847 1 19 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.671 -0.845 17705 7848 1 19 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.884 -3.205 17705 7849 1 19 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.479 -2.889 17705 7850 1 19 . 1 1 102 102 ALA H H 68 6.848 6.848 8.020 -1.172 17705 7851 1 19 . 1 1 103 103 GLU N N 69 117.431 117.431 119.488 -2.057 17705 7852 1 19 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.949 -0.294 17705 7853 1 19 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.942 -2.773 17705 7854 1 19 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.357 -2.857 17705 7855 1 19 . 1 1 103 103 GLU H H 69 8.008 8.008 7.926 0.082 17705 7856 1 19 . 1 1 104 104 ASP N N 70 120.512 120.512 119.247 1.265 17705 7857 1 19 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.398 -0.132 17705 7858 1 19 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.473 -2.956 17705 7859 1 19 . 1 1 104 104 ASP H H 70 8.022 8.022 7.706 0.316 17705 7860 1 19 . 1 1 105 105 ALA N N 71 122.325 122.325 121.985 0.340 17705 7861 1 19 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.630 0.155 17705 7862 1 19 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.506 -2.772 17705 7863 1 19 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.366 -1.218 17705 7864 1 19 . 1 1 105 105 ALA H H 71 8.109 8.109 7.359 0.750 17705 7865 1 19 . 1 1 106 106 MET N N 72 118.595 118.595 118.020 0.575 17705 7866 1 19 . 1 1 106 106 MET HA H 72 3.657 3.657 4.113 -0.456 17705 7867 1 19 . 1 1 106 106 MET CA C 72 57.163 57.163 58.592 -1.429 17705 7868 1 19 . 1 1 106 106 MET CB C 72 30.248 30.248 32.776 -2.528 17705 7869 1 19 . 1 1 106 106 MET H H 72 8.293 8.293 7.981 0.312 17705 7870 1 19 . 1 1 107 107 ASP N N 73 117.126 117.126 118.096 -0.970 17705 7871 1 19 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.407 -0.083 17705 7872 1 19 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.573 -1.525 17705 7873 1 19 . 1 1 107 107 ASP CB C 73 38.348 38.348 41.069 -2.721 17705 7874 1 19 . 1 1 107 107 ASP H H 73 7.784 7.784 8.000 -0.216 17705 7875 1 19 . 1 1 108 108 ALA N N 74 117.971 117.971 116.394 1.577 17705 7876 1 19 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.478 -0.367 17705 7877 1 19 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.272 -0.898 17705 7878 1 19 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.447 -2.794 17705 7879 1 19 . 1 1 108 108 ALA H H 74 7.366 7.366 7.357 0.009 17705 7880 1 19 . 1 1 109 109 MET N N 75 112.248 112.248 115.525 -3.277 17705 7881 1 19 . 1 1 109 109 MET HA H 75 4.756 4.756 4.622 0.134 17705 7882 1 19 . 1 1 109 109 MET CA C 75 50.696 50.696 54.255 -3.559 17705 7883 1 19 . 1 1 109 109 MET H H 75 8.077 8.077 7.462 0.615 17705 7884 1 19 . 1 1 110 110 ASP N N 76 120.144 120.144 121.342 -1.198 17705 7885 1 19 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.446 -0.033 17705 7886 1 19 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.859 -0.929 17705 7887 1 19 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.114 -2.534 17705 7888 1 19 . 1 1 110 110 ASP H H 76 7.915 7.915 7.816 0.099 17705 7889 1 19 . 1 1 111 111 GLY N N 77 117.810 117.810 113.734 4.076 17705 7890 1 19 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.944 -3.096 17705 7891 1 19 . 1 1 111 111 GLY H H 77 8.680 8.680 8.721 -0.041 17705 7892 1 19 . 1 1 112 112 ALA N N 78 123.748 123.748 121.700 2.048 17705 7893 1 19 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.368 -0.041 17705 7894 1 19 . 1 1 112 112 ALA CA C 78 48.968 48.968 50.858 -1.890 17705 7895 1 19 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.346 -1.867 17705 7896 1 19 . 1 1 112 112 ALA H H 78 7.918 7.918 7.414 0.504 17705 7897 1 19 . 1 1 113 113 VAL N N 79 118.622 118.622 117.744 0.878 17705 7898 1 19 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.798 0.842 17705 7899 1 19 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.552 -1.930 17705 7900 1 19 . 1 1 113 113 VAL H H 79 8.091 8.091 7.835 0.256 17705 7901 1 19 . 1 1 114 114 LEU N N 80 129.451 129.451 124.328 5.123 17705 7902 1 19 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.209 0.336 17705 7903 1 19 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.798 -4.850 17705 7904 1 19 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.923 0.757 17705 7905 1 19 . 1 1 114 114 LEU H H 80 8.875 8.875 8.378 0.497 17705 7906 1 19 . 1 1 115 115 ASP N N 81 129.610 129.610 117.827 11.783 17705 7907 1 19 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.662 -0.429 17705 7908 1 19 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.407 -2.132 17705 7909 1 19 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.644 -4.386 17705 7910 1 19 . 1 1 115 115 ASP H H 81 9.445 9.445 7.992 1.453 17705 7911 1 19 . 1 1 116 116 GLY N N 82 100.657 100.657 106.778 -6.121 17705 7912 1 19 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.266 -2.381 17705 7913 1 19 . 1 1 116 116 GLY H H 82 8.008 8.008 8.250 -0.242 17705 7914 1 19 . 1 1 117 117 ARG N N 83 120.179 120.179 118.380 1.799 17705 7915 1 19 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.652 -0.106 17705 7916 1 19 . 1 1 117 117 ARG CA C 83 50.948 50.948 56.104 -5.156 17705 7917 1 19 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.766 -1.198 17705 7918 1 19 . 1 1 117 117 ARG H H 83 7.499 7.499 8.221 -0.722 17705 7919 1 19 . 1 1 118 118 GLU N N 84 121.274 121.274 118.702 2.572 17705 7920 1 19 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.128 0.191 17705 7921 1 19 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.685 -3.668 17705 7922 1 19 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.410 -2.221 17705 7923 1 19 . 1 1 118 118 GLU H H 84 8.369 8.369 8.071 0.298 17705 7924 1 19 . 1 1 119 119 LEU N N 85 128.104 128.104 123.563 4.541 17705 7925 1 19 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.205 0.345 17705 7926 1 19 . 1 1 119 119 LEU CA C 85 51.786 51.786 56.712 -4.926 17705 7927 1 19 . 1 1 119 119 LEU CB C 85 40.888 40.888 42.872 -1.984 17705 7928 1 19 . 1 1 119 119 LEU H H 85 9.356 9.356 8.374 0.982 17705 7929 1 19 . 1 1 120 120 ARG N N 86 121.349 121.349 118.580 2.769 17705 7930 1 19 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.019 0.135 17705 7931 1 19 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.986 -2.337 17705 7932 1 19 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.778 -4.203 17705 7933 1 19 . 1 1 120 120 ARG H H 86 7.677 7.677 8.259 -0.582 17705 7934 1 19 . 1 1 121 121 VAL N N 87 126.888 126.888 122.153 4.735 17705 7935 1 19 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.963 0.178 17705 7936 1 19 . 1 1 121 121 VAL CA C 87 58.525 58.525 61.222 -2.697 17705 7937 1 19 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.486 -3.553 17705 7938 1 19 . 1 1 121 121 VAL H H 87 9.435 9.435 9.121 0.314 17705 7939 1 19 . 1 1 122 122 GLN N N 88 122.184 122.184 120.725 1.459 17705 7940 1 19 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.904 0.031 17705 7941 1 19 . 1 1 122 122 GLN CA C 88 50.990 50.990 54.030 -3.040 17705 7942 1 19 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.474 -1.114 17705 7943 1 19 . 1 1 122 122 GLN H H 88 8.520 8.520 9.127 -0.607 17705 7944 1 19 . 1 1 123 123 MET N N 89 122.187 122.187 120.209 1.978 17705 7945 1 19 . 1 1 123 123 MET HA H 89 4.660 4.660 4.295 0.365 17705 7946 1 19 . 1 1 123 123 MET CB C 89 29.398 29.398 31.775 -2.377 17705 7947 1 19 . 1 1 123 123 MET H H 89 8.699 8.699 8.912 -0.213 17705 7948 1 19 . 1 1 124 124 ALA N N 90 127.406 127.406 127.082 0.324 17705 7949 1 19 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.082 0.367 17705 7950 1 19 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.557 -2.975 17705 7951 1 19 . 1 1 124 124 ALA CB C 90 17.798 17.798 20.005 -2.207 17705 7952 1 19 . 1 1 124 124 ALA H H 90 8.592 8.592 8.688 -0.096 17705 7953 1 19 . 1 1 125 125 ARG N N 91 119.981 119.981 114.388 5.593 17705 7954 1 19 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.820 0.499 17705 7955 1 19 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.427 -4.209 17705 7956 1 19 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.689 0.945 17705 7957 1 19 . 1 1 125 125 ARG H H 91 8.299 8.299 7.896 0.403 17705 7958 1 19 . 1 1 126 126 TYR N N 92 121.757 121.757 116.436 5.321 17705 7959 1 19 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.788 -0.322 17705 7960 1 19 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.400 -1.310 17705 7961 1 19 . 1 1 126 126 TYR CB C 92 36.470 36.470 38.770 -2.300 17705 7962 1 19 . 1 1 126 126 TYR H H 92 8.182 8.182 8.061 0.121 17705 7963 1 19 . 1 1 127 127 GLY N N 93 110.707 110.707 107.073 3.634 17705 7964 1 19 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.622 -3.280 17705 7965 1 19 . 1 1 127 127 GLY H H 93 7.969 7.969 7.554 0.415 17705 7966 1 19 . 1 1 128 128 ARG N N 94 121.504 121.504 120.919 0.585 17705 7967 1 19 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.733 -0.268 17705 7968 1 19 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.701 -2.652 17705 7969 1 19 . 1 1 128 128 ARG H H 94 7.930 7.930 8.373 -0.443 17705 7970 1 19 . 1 1 131 131 ASP N N 97 120.004 120.004 117.748 2.256 17705 7971 1 19 . 1 1 131 131 ASP H H 97 8.289 8.289 8.636 -0.347 17705 7972 1 19 . 1 1 132 132 SER N N 98 115.594 115.594 112.729 2.865 17705 7973 1 19 . 1 1 132 132 SER HA H 98 4.348 4.348 4.855 -0.507 17705 7974 1 19 . 1 1 132 132 SER CB C 98 61.181 61.181 66.176 -4.995 17705 7975 1 19 . 1 1 132 132 SER H H 98 8.128 8.128 8.041 0.087 17705 7976 1 19 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.537 -3.468 17705 7977 1 19 . 1 1 133 133 HIS H H 99 8.290 8.290 9.062 -0.772 17705 7978 1 19 . 1 1 134 134 HIS N N 100 120.371 120.371 116.505 3.866 17705 7979 1 19 . 1 1 134 134 HIS CB C 100 27.050 27.050 30.651 -3.601 17705 7980 1 19 . 1 1 134 134 HIS H H 100 7.251 7.251 8.448 -1.197 17705 7981 1 20 . 1 1 36 36 SER N N 2 116.240 116.240 118.122 -1.882 17705 7982 1 20 . 1 1 36 36 SER HA H 2 4.389 4.389 4.795 -0.406 17705 7983 1 20 . 1 1 36 36 SER CB C 2 61.141 61.141 64.868 -3.727 17705 7984 1 20 . 1 1 36 36 SER H H 2 8.111 8.111 8.871 -0.760 17705 7985 1 20 . 1 1 37 37 TYR N N 3 121.776 121.776 115.845 5.931 17705 7986 1 20 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.879 -0.334 17705 7987 1 20 . 1 1 37 37 TYR CA C 3 55.295 55.295 58.061 -2.766 17705 7988 1 20 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.172 -3.059 17705 7989 1 20 . 1 1 37 37 TYR H H 3 8.062 8.062 7.988 0.074 17705 7990 1 20 . 1 1 38 38 GLY N N 4 110.102 110.102 108.798 1.304 17705 7991 1 20 . 1 1 38 38 GLY CA C 4 42.578 42.578 45.215 -2.638 17705 7992 1 20 . 1 1 38 38 GLY H H 4 8.221 8.221 8.520 -0.299 17705 7993 1 20 . 1 1 39 39 ARG N N 5 121.307 121.307 120.119 1.188 17705 7994 1 20 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.822 -0.240 17705 7995 1 20 . 1 1 39 39 ARG CA C 5 51.020 51.020 54.208 -3.188 17705 7996 1 20 . 1 1 39 39 ARG CB C 5 27.731 27.731 31.129 -3.398 17705 7997 1 20 . 1 1 39 39 ARG H H 5 7.967 7.967 8.073 -0.106 17705 7998 1 20 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.356 -0.025 17705 7999 1 20 . 1 1 42 42 PRO CA C 8 60.519 60.519 64.663 -4.144 17705 8000 1 20 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.132 -2.842 17705 8001 1 20 . 1 1 43 43 ASP N N 9 119.234 119.234 115.774 3.460 17705 8002 1 20 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.602 -0.060 17705 8003 1 20 . 1 1 43 43 ASP CB C 9 38.419 38.419 40.807 -2.388 17705 8004 1 20 . 1 1 43 43 ASP H H 9 8.260 8.260 8.211 0.049 17705 8005 1 20 . 1 1 44 44 VAL N N 10 119.005 119.005 117.437 1.568 17705 8006 1 20 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.892 0.139 17705 8007 1 20 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.380 -3.312 17705 8008 1 20 . 1 1 44 44 VAL CB C 10 29.848 29.848 31.040 -1.192 17705 8009 1 20 . 1 1 44 44 VAL H H 10 7.903 7.903 7.705 0.198 17705 8010 1 20 . 1 1 45 45 GLU N N 11 122.556 122.556 119.918 2.638 17705 8011 1 20 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.119 0.013 17705 8012 1 20 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.875 -3.117 17705 8013 1 20 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.188 -1.978 17705 8014 1 20 . 1 1 45 45 GLU H H 11 8.304 8.304 8.548 -0.244 17705 8015 1 20 . 1 1 46 46 GLY N N 12 108.250 108.250 106.316 1.934 17705 8016 1 20 . 1 1 46 46 GLY CA C 12 42.772 42.772 45.283 -2.511 17705 8017 1 20 . 1 1 46 46 GLY H H 12 8.187 8.187 7.908 0.279 17705 8018 1 20 . 1 1 47 47 MET N N 13 118.678 118.678 117.756 0.922 17705 8019 1 20 . 1 1 47 47 MET HA H 13 4.606 4.606 4.983 -0.377 17705 8020 1 20 . 1 1 47 47 MET CB C 13 30.713 30.713 33.473 -2.760 17705 8021 1 20 . 1 1 47 47 MET H H 13 7.798 7.798 7.698 0.100 17705 8022 1 20 . 1 1 48 48 THR N N 14 116.971 116.971 116.610 0.361 17705 8023 1 20 . 1 1 48 48 THR HA H 14 4.469 4.469 4.105 0.364 17705 8024 1 20 . 1 1 48 48 THR CA C 14 60.072 60.072 65.185 -5.113 17705 8025 1 20 . 1 1 48 48 THR CB C 14 67.533 67.533 68.825 -1.292 17705 8026 1 20 . 1 1 48 48 THR H H 14 8.693 8.693 8.288 0.405 17705 8027 1 20 . 1 1 49 49 SER N N 15 121.549 121.549 116.340 5.209 17705 8028 1 20 . 1 1 49 49 SER HA H 15 5.369 5.369 5.097 0.272 17705 8029 1 20 . 1 1 49 49 SER CA C 15 55.530 55.530 60.014 -4.484 17705 8030 1 20 . 1 1 49 49 SER CB C 15 62.465 62.465 64.189 -1.724 17705 8031 1 20 . 1 1 49 49 SER H H 15 8.813 8.813 7.936 0.877 17705 8032 1 20 . 1 1 50 50 LEU N N 16 122.760 122.760 124.343 -1.583 17705 8033 1 20 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.622 0.493 17705 8034 1 20 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.992 -3.795 17705 8035 1 20 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.486 -2.865 17705 8036 1 20 . 1 1 50 50 LEU H H 16 9.287 9.287 8.315 0.972 17705 8037 1 20 . 1 1 51 51 LYS N N 17 123.384 123.384 128.295 -4.911 17705 8038 1 20 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.538 -0.744 17705 8039 1 20 . 1 1 51 51 LYS CA C 17 52.581 52.581 53.776 -1.195 17705 8040 1 20 . 1 1 51 51 LYS CB C 17 32.253 32.253 34.806 -2.553 17705 8041 1 20 . 1 1 51 51 LYS H H 17 9.240 9.240 9.082 0.158 17705 8042 1 20 . 1 1 52 52 VAL N N 18 129.496 129.496 125.374 4.122 17705 8043 1 20 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.871 -0.106 17705 8044 1 20 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.984 -2.754 17705 8045 1 20 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.654 -4.901 17705 8046 1 20 . 1 1 52 52 VAL H H 18 9.194 9.194 7.819 1.375 17705 8047 1 20 . 1 1 53 53 ASP N N 19 126.148 126.148 124.339 1.809 17705 8048 1 20 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.153 0.145 17705 8049 1 20 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.373 -2.310 17705 8050 1 20 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.946 -2.212 17705 8051 1 20 . 1 1 53 53 ASP H H 19 9.382 9.382 8.942 0.440 17705 8052 1 20 . 1 1 54 54 ASN N N 20 113.840 113.840 116.984 -3.144 17705 8053 1 20 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.614 -0.156 17705 8054 1 20 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.265 -3.138 17705 8055 1 20 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.324 -3.274 17705 8056 1 20 . 1 1 54 54 ASN H H 20 8.736 8.736 8.619 0.117 17705 8057 1 20 . 1 1 55 55 LEU N N 21 115.267 115.267 120.936 -5.669 17705 8058 1 20 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.660 -0.271 17705 8059 1 20 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.262 -2.093 17705 8060 1 20 . 1 1 55 55 LEU CB C 21 41.175 41.175 44.855 -3.680 17705 8061 1 20 . 1 1 55 55 LEU H H 21 7.661 7.661 8.527 -0.866 17705 8062 1 20 . 1 1 56 56 THR N N 22 111.721 111.721 113.534 -1.813 17705 8063 1 20 . 1 1 56 56 THR CB C 22 68.066 68.066 69.833 -1.767 17705 8064 1 20 . 1 1 56 56 THR H H 22 8.377 8.377 8.411 -0.034 17705 8065 1 20 . 1 1 57 57 TYR N N 23 122.454 122.454 117.707 4.747 17705 8066 1 20 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.154 0.154 17705 8067 1 20 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.340 -2.763 17705 8068 1 20 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.197 -1.804 17705 8069 1 20 . 1 1 57 57 TYR H H 23 8.601 8.601 8.051 0.550 17705 8070 1 20 . 1 1 58 58 ARG N N 24 114.958 114.958 118.161 -3.203 17705 8071 1 20 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.231 -0.017 17705 8072 1 20 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.415 -2.144 17705 8073 1 20 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.896 -3.508 17705 8074 1 20 . 1 1 58 58 ARG H H 24 7.366 7.366 7.710 -0.344 17705 8075 1 20 . 1 1 59 59 THR N N 25 119.016 119.016 115.516 3.500 17705 8076 1 20 . 1 1 59 59 THR HA H 25 4.037 4.037 4.073 -0.036 17705 8077 1 20 . 1 1 59 59 THR CA C 25 62.031 62.031 65.076 -3.046 17705 8078 1 20 . 1 1 59 59 THR CB C 25 65.705 65.705 68.956 -3.251 17705 8079 1 20 . 1 1 59 59 THR H H 25 7.356 7.356 8.101 -0.745 17705 8080 1 20 . 1 1 60 60 SER N N 26 124.554 124.554 113.984 10.570 17705 8081 1 20 . 1 1 60 60 SER HA H 26 4.834 4.834 4.223 0.611 17705 8082 1 20 . 1 1 60 60 SER CA C 26 52.978 52.978 58.273 -5.295 17705 8083 1 20 . 1 1 60 60 SER CB C 26 61.637 61.637 63.034 -1.397 17705 8084 1 20 . 1 1 60 60 SER H H 26 8.404 8.404 7.861 0.543 17705 8085 1 20 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.314 -0.273 17705 8086 1 20 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.136 -2.059 17705 8087 1 20 . 1 1 62 62 ASP N N 28 115.821 115.821 118.676 -2.855 17705 8088 1 20 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.477 -0.104 17705 8089 1 20 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.914 -3.333 17705 8090 1 20 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.063 -1.848 17705 8091 1 20 . 1 1 62 62 ASP H H 28 8.022 8.022 8.658 -0.636 17705 8092 1 20 . 1 1 63 63 THR N N 29 118.403 118.403 117.252 1.151 17705 8093 1 20 . 1 1 63 63 THR HA H 29 3.898 3.898 4.135 -0.237 17705 8094 1 20 . 1 1 63 63 THR CA C 29 63.704 63.704 66.280 -2.576 17705 8095 1 20 . 1 1 63 63 THR CB C 29 65.555 65.555 68.659 -3.104 17705 8096 1 20 . 1 1 63 63 THR H H 29 7.791 7.791 7.635 0.156 17705 8097 1 20 . 1 1 64 64 LEU N N 30 119.247 119.247 120.856 -1.609 17705 8098 1 20 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.210 -0.172 17705 8099 1 20 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.659 -2.559 17705 8100 1 20 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.509 -1.707 17705 8101 1 20 . 1 1 64 64 LEU H H 30 7.607 7.607 7.649 -0.042 17705 8102 1 20 . 1 1 65 65 ARG N N 31 118.798 118.798 119.833 -1.035 17705 8103 1 20 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.135 -0.495 17705 8104 1 20 . 1 1 65 65 ARG CA C 31 58.315 58.315 58.910 -0.595 17705 8105 1 20 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.513 -1.959 17705 8106 1 20 . 1 1 65 65 ARG H H 31 8.547 8.547 7.859 0.688 17705 8107 1 20 . 1 1 66 66 ARG N N 32 116.038 116.038 117.571 -1.533 17705 8108 1 20 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.338 -0.276 17705 8109 1 20 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.384 -1.698 17705 8110 1 20 . 1 1 66 66 ARG H H 32 7.732 7.732 7.642 0.090 17705 8111 1 20 . 1 1 67 67 VAL N N 33 115.825 115.825 118.187 -2.362 17705 8112 1 20 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.913 -0.069 17705 8113 1 20 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.618 -1.888 17705 8114 1 20 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.382 -2.892 17705 8115 1 20 . 1 1 67 67 VAL H H 33 7.837 7.837 7.622 0.215 17705 8116 1 20 . 1 1 68 68 PHE N N 34 116.175 116.175 116.506 -0.331 17705 8117 1 20 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.929 -0.432 17705 8118 1 20 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.687 0.567 17705 8119 1 20 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.276 -5.016 17705 8120 1 20 . 1 1 68 68 PHE H H 34 8.194 8.194 7.651 0.543 17705 8121 1 20 . 1 1 69 69 GLU N N 35 119.377 119.377 121.099 -1.722 17705 8122 1 20 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.090 0.959 17705 8123 1 20 . 1 1 69 69 GLU CA C 35 54.911 54.911 59.046 -4.135 17705 8124 1 20 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.742 -2.520 17705 8125 1 20 . 1 1 69 69 GLU H H 35 8.669 8.669 8.806 -0.137 17705 8126 1 20 . 1 1 70 70 LYS N N 36 118.371 118.371 119.438 -1.067 17705 8127 1 20 . 1 1 70 70 LYS HA H 36 3.872 3.872 3.990 -0.118 17705 8128 1 20 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.407 -2.928 17705 8129 1 20 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.357 -2.137 17705 8130 1 20 . 1 1 70 70 LYS H H 36 6.866 6.866 8.224 -1.358 17705 8131 1 20 . 1 1 71 71 TYR N N 37 115.053 115.053 118.273 -3.220 17705 8132 1 20 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.403 -0.090 17705 8133 1 20 . 1 1 71 71 TYR CA C 37 56.131 56.131 60.158 -4.027 17705 8134 1 20 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.130 -2.368 17705 8135 1 20 . 1 1 71 71 TYR H H 37 7.637 7.637 7.775 -0.138 17705 8136 1 20 . 1 1 72 72 GLY N N 38 104.732 104.732 105.705 -0.973 17705 8137 1 20 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.316 -3.623 17705 8138 1 20 . 1 1 72 72 GLY H H 38 7.353 7.353 7.962 -0.609 17705 8139 1 20 . 1 1 73 73 ARG N N 39 115.823 115.823 119.117 -3.294 17705 8140 1 20 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.452 -0.126 17705 8141 1 20 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.200 -0.636 17705 8142 1 20 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.084 -5.232 17705 8143 1 20 . 1 1 73 73 ARG H H 39 7.975 7.975 8.087 -0.112 17705 8144 1 20 . 1 1 74 74 VAL N N 40 129.287 129.287 120.543 8.744 17705 8145 1 20 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.448 0.243 17705 8146 1 20 . 1 1 74 74 VAL CA C 40 59.277 59.277 61.120 -1.843 17705 8147 1 20 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.143 -2.425 17705 8148 1 20 . 1 1 74 74 VAL H H 40 8.826 8.826 8.354 0.472 17705 8149 1 20 . 1 1 75 75 GLY N N 41 115.247 115.247 113.820 1.427 17705 8150 1 20 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.126 -2.916 17705 8151 1 20 . 1 1 75 75 GLY H H 41 9.023 9.023 8.219 0.804 17705 8152 1 20 . 1 1 76 76 ASP N N 42 117.313 117.313 118.500 -1.187 17705 8153 1 20 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.818 -0.171 17705 8154 1 20 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.453 -2.872 17705 8155 1 20 . 1 1 76 76 ASP H H 42 7.375 7.375 7.932 -0.557 17705 8156 1 20 . 1 1 77 77 VAL N N 43 121.209 121.209 123.201 -1.992 17705 8157 1 20 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.318 0.325 17705 8158 1 20 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.664 -1.622 17705 8159 1 20 . 1 1 77 77 VAL H H 43 7.799 7.799 8.463 -0.664 17705 8160 1 20 . 1 1 78 78 TYR N N 44 127.478 127.478 126.445 1.033 17705 8161 1 20 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.828 0.226 17705 8162 1 20 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.232 -3.339 17705 8163 1 20 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.130 -2.356 17705 8164 1 20 . 1 1 78 78 TYR H H 44 9.056 9.056 8.082 0.974 17705 8165 1 20 . 1 1 79 79 ILE N N 45 128.848 128.848 119.940 8.908 17705 8166 1 20 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.289 0.108 17705 8167 1 20 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.021 -1.366 17705 8168 1 20 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.941 -3.571 17705 8169 1 20 . 1 1 79 79 ILE H H 45 8.484 8.484 8.505 -0.021 17705 8170 1 20 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.664 -0.605 17705 8171 1 20 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.530 -2.769 17705 8172 1 20 . 1 1 81 81 ARG N N 47 119.796 119.796 121.323 -1.527 17705 8173 1 20 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.110 0.326 17705 8174 1 20 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.947 -0.973 17705 8175 1 20 . 1 1 81 81 ARG H H 47 8.131 8.131 8.045 0.086 17705 8176 1 20 . 1 1 82 82 ASP N N 48 122.427 122.427 119.033 3.394 17705 8177 1 20 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.446 -0.009 17705 8178 1 20 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.146 -3.498 17705 8179 1 20 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.473 -1.119 17705 8180 1 20 . 1 1 82 82 ASP H H 48 8.511 8.511 8.198 0.313 17705 8181 1 20 . 1 1 83 83 ARG N N 49 124.150 124.150 118.495 5.655 17705 8182 1 20 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.442 -0.443 17705 8183 1 20 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.743 -4.085 17705 8184 1 20 . 1 1 83 83 ARG H H 49 8.546 8.546 8.613 -0.067 17705 8185 1 20 . 1 1 84 84 TYR N N 50 118.236 118.236 115.245 2.991 17705 8186 1 20 . 1 1 84 84 TYR HA H 50 4.653 4.653 5.048 -0.395 17705 8187 1 20 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.983 -3.051 17705 8188 1 20 . 1 1 84 84 TYR H H 50 8.376 8.376 7.476 0.900 17705 8189 1 20 . 1 1 85 85 THR N N 51 111.445 111.445 115.091 -3.646 17705 8190 1 20 . 1 1 85 85 THR HA H 51 4.306 4.306 4.574 -0.268 17705 8191 1 20 . 1 1 85 85 THR CA C 51 59.280 59.280 60.745 -1.465 17705 8192 1 20 . 1 1 85 85 THR CB C 51 67.748 67.748 70.974 -3.225 17705 8193 1 20 . 1 1 85 85 THR H H 51 8.790 8.790 8.374 0.416 17705 8194 1 20 . 1 1 86 86 LYS N N 52 115.778 115.778 118.350 -2.572 17705 8195 1 20 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.614 -0.628 17705 8196 1 20 . 1 1 86 86 LYS CA C 52 55.190 55.190 56.034 -0.844 17705 8197 1 20 . 1 1 86 86 LYS H H 52 7.947 7.947 8.464 -0.517 17705 8198 1 20 . 1 1 87 87 GLU N N 53 118.931 118.931 117.664 1.267 17705 8199 1 20 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.803 -0.481 17705 8200 1 20 . 1 1 87 87 GLU CB C 53 28.361 28.361 31.989 -3.628 17705 8201 1 20 . 1 1 87 87 GLU H H 53 7.881 7.881 7.689 0.192 17705 8202 1 20 . 1 1 88 88 SER N N 54 116.268 116.268 112.147 4.121 17705 8203 1 20 . 1 1 88 88 SER HA H 54 4.324 4.324 4.823 -0.499 17705 8204 1 20 . 1 1 88 88 SER CA C 54 55.543 55.543 56.015 -0.472 17705 8205 1 20 . 1 1 88 88 SER CB C 54 61.291 61.291 66.269 -4.978 17705 8206 1 20 . 1 1 88 88 SER H H 54 8.472 8.472 8.185 0.287 17705 8207 1 20 . 1 1 89 89 ARG N N 55 121.084 121.084 120.563 0.521 17705 8208 1 20 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.389 -0.056 17705 8209 1 20 . 1 1 89 89 ARG CB C 55 28.239 28.239 29.938 -1.699 17705 8210 1 20 . 1 1 89 89 ARG H H 55 8.121 8.121 8.959 -0.838 17705 8211 1 20 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.974 -1.779 17705 8212 1 20 . 1 1 90 90 GLY H H 56 8.334 8.334 8.057 0.277 17705 8213 1 20 . 1 1 91 91 PHE N N 57 113.361 113.361 114.265 -0.904 17705 8214 1 20 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.046 0.617 17705 8215 1 20 . 1 1 91 91 PHE CA C 57 51.884 51.884 54.424 -2.540 17705 8216 1 20 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.745 -1.285 17705 8217 1 20 . 1 1 91 91 PHE H H 57 6.980 6.980 7.408 -0.428 17705 8218 1 20 . 1 1 92 92 ALA N N 58 118.350 118.350 123.649 -5.299 17705 8219 1 20 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.473 0.343 17705 8220 1 20 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.797 -3.628 17705 8221 1 20 . 1 1 92 92 ALA CB C 58 23.281 23.281 20.987 2.294 17705 8222 1 20 . 1 1 92 92 ALA H H 58 8.854 8.854 8.117 0.737 17705 8223 1 20 . 1 1 93 93 PHE N N 59 116.210 116.210 118.798 -2.588 17705 8224 1 20 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.736 1.055 17705 8225 1 20 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.281 -2.542 17705 8226 1 20 . 1 1 93 93 PHE CB C 59 38.926 38.926 40.810 -1.884 17705 8227 1 20 . 1 1 93 93 PHE H H 59 9.011 9.011 8.060 0.951 17705 8228 1 20 . 1 1 94 94 VAL N N 60 123.082 123.082 121.133 1.949 17705 8229 1 20 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.378 -0.031 17705 8230 1 20 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.747 -3.051 17705 8231 1 20 . 1 1 94 94 VAL CB C 60 31.593 31.593 33.312 -1.719 17705 8232 1 20 . 1 1 94 94 VAL H H 60 8.878 8.878 7.645 1.233 17705 8233 1 20 . 1 1 95 95 ARG N N 61 125.689 125.689 124.673 1.016 17705 8234 1 20 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.223 0.009 17705 8235 1 20 . 1 1 95 95 ARG CA C 61 52.185 52.185 55.050 -2.865 17705 8236 1 20 . 1 1 95 95 ARG H H 61 8.649 8.649 9.031 -0.382 17705 8237 1 20 . 1 1 96 96 PHE N N 62 123.552 123.552 125.642 -2.090 17705 8238 1 20 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.430 0.399 17705 8239 1 20 . 1 1 96 96 PHE CA C 62 54.999 54.999 56.368 -1.369 17705 8240 1 20 . 1 1 96 96 PHE CB C 62 39.483 39.483 40.212 -0.729 17705 8241 1 20 . 1 1 96 96 PHE H H 62 9.152 9.152 8.499 0.653 17705 8242 1 20 . 1 1 97 97 HIS N N 63 119.487 119.487 117.222 2.265 17705 8243 1 20 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.690 -0.289 17705 8244 1 20 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.527 -3.111 17705 8245 1 20 . 1 1 97 97 HIS H H 63 7.904 7.904 7.909 -0.005 17705 8246 1 20 . 1 1 98 98 ASP N N 64 119.624 119.624 120.127 -0.503 17705 8247 1 20 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.904 0.128 17705 8248 1 20 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.197 -2.959 17705 8249 1 20 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.711 -1.141 17705 8250 1 20 . 1 1 98 98 ASP H H 64 9.103 9.103 7.923 1.180 17705 8251 1 20 . 1 1 99 99 LYS N N 65 127.479 127.479 125.882 1.597 17705 8252 1 20 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.147 -0.287 17705 8253 1 20 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.812 -1.688 17705 8254 1 20 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.248 -1.963 17705 8255 1 20 . 1 1 99 99 LYS H H 65 8.743 8.743 8.831 -0.088 17705 8256 1 20 . 1 1 100 100 ARG N N 66 118.795 118.795 119.226 -0.431 17705 8257 1 20 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.449 -0.386 17705 8258 1 20 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.182 -2.122 17705 8259 1 20 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.538 -2.765 17705 8260 1 20 . 1 1 100 100 ARG H H 66 8.604 8.604 8.932 -0.328 17705 8261 1 20 . 1 1 101 101 ASP N N 67 119.686 119.686 119.224 0.462 17705 8262 1 20 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.631 -0.429 17705 8263 1 20 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.321 -3.103 17705 8264 1 20 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.485 -2.411 17705 8265 1 20 . 1 1 101 101 ASP H H 67 7.105 7.105 7.964 -0.859 17705 8266 1 20 . 1 1 102 102 ALA N N 68 119.709 119.709 122.966 -3.257 17705 8267 1 20 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.611 -0.785 17705 8268 1 20 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.819 -3.140 17705 8269 1 20 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.488 -2.898 17705 8270 1 20 . 1 1 102 102 ALA H H 68 6.848 6.848 7.953 -1.105 17705 8271 1 20 . 1 1 103 103 GLU N N 69 117.431 117.431 119.833 -2.402 17705 8272 1 20 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.878 -0.223 17705 8273 1 20 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.905 -2.736 17705 8274 1 20 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.496 -2.996 17705 8275 1 20 . 1 1 103 103 GLU H H 69 8.008 8.008 8.198 -0.190 17705 8276 1 20 . 1 1 104 104 ASP N N 70 120.512 120.512 118.655 1.857 17705 8277 1 20 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.432 -0.166 17705 8278 1 20 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.668 -3.151 17705 8279 1 20 . 1 1 104 104 ASP H H 70 8.022 8.022 7.635 0.387 17705 8280 1 20 . 1 1 105 105 ALA N N 71 122.325 122.325 122.046 0.279 17705 8281 1 20 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.641 0.144 17705 8282 1 20 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.511 -2.777 17705 8283 1 20 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.393 -1.246 17705 8284 1 20 . 1 1 105 105 ALA H H 71 8.109 8.109 7.438 0.671 17705 8285 1 20 . 1 1 106 106 MET N N 72 118.595 118.595 118.214 0.381 17705 8286 1 20 . 1 1 106 106 MET HA H 72 3.657 3.657 4.081 -0.424 17705 8287 1 20 . 1 1 106 106 MET CA C 72 57.163 57.163 58.706 -1.543 17705 8288 1 20 . 1 1 106 106 MET CB C 72 30.248 30.248 32.757 -2.509 17705 8289 1 20 . 1 1 106 106 MET H H 72 8.293 8.293 8.053 0.240 17705 8290 1 20 . 1 1 107 107 ASP N N 73 117.126 117.126 119.671 -2.545 17705 8291 1 20 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.480 -0.156 17705 8292 1 20 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.575 -1.527 17705 8293 1 20 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.851 -2.503 17705 8294 1 20 . 1 1 107 107 ASP H H 73 7.784 7.784 7.978 -0.194 17705 8295 1 20 . 1 1 108 108 ALA N N 74 117.971 117.971 117.787 0.184 17705 8296 1 20 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.457 -0.346 17705 8297 1 20 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.246 -0.872 17705 8298 1 20 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.478 -2.825 17705 8299 1 20 . 1 1 108 108 ALA H H 74 7.366 7.366 7.389 -0.023 17705 8300 1 20 . 1 1 109 109 MET N N 75 112.248 112.248 115.256 -3.008 17705 8301 1 20 . 1 1 109 109 MET HA H 75 4.756 4.756 4.551 0.205 17705 8302 1 20 . 1 1 109 109 MET CA C 75 50.696 50.696 54.422 -3.726 17705 8303 1 20 . 1 1 109 109 MET H H 75 8.077 8.077 7.397 0.680 17705 8304 1 20 . 1 1 110 110 ASP N N 76 120.144 120.144 121.143 -0.999 17705 8305 1 20 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.388 0.025 17705 8306 1 20 . 1 1 110 110 ASP CA C 76 54.930 54.930 56.231 -1.301 17705 8307 1 20 . 1 1 110 110 ASP CB C 76 38.580 38.580 41.137 -2.557 17705 8308 1 20 . 1 1 110 110 ASP H H 76 7.915 7.915 7.742 0.173 17705 8309 1 20 . 1 1 111 111 GLY N N 77 117.810 117.810 113.932 3.878 17705 8310 1 20 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.907 -3.059 17705 8311 1 20 . 1 1 111 111 GLY H H 77 8.680 8.680 8.626 0.054 17705 8312 1 20 . 1 1 112 112 ALA N N 78 123.748 123.748 121.571 2.177 17705 8313 1 20 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.334 -0.007 17705 8314 1 20 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.391 -2.423 17705 8315 1 20 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.576 -2.096 17705 8316 1 20 . 1 1 112 112 ALA H H 78 7.918 7.918 7.551 0.367 17705 8317 1 20 . 1 1 113 113 VAL N N 79 118.622 118.622 117.609 1.013 17705 8318 1 20 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.772 0.868 17705 8319 1 20 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.516 -1.894 17705 8320 1 20 . 1 1 113 113 VAL H H 79 8.091 8.091 7.742 0.349 17705 8321 1 20 . 1 1 114 114 LEU N N 80 129.451 129.451 125.105 4.346 17705 8322 1 20 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.111 0.434 17705 8323 1 20 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.986 -5.038 17705 8324 1 20 . 1 1 114 114 LEU CB C 80 42.680 42.680 42.216 0.464 17705 8325 1 20 . 1 1 114 114 LEU H H 80 8.875 8.875 8.365 0.510 17705 8326 1 20 . 1 1 115 115 ASP N N 81 129.610 129.610 117.051 12.559 17705 8327 1 20 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.666 -0.433 17705 8328 1 20 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.154 -1.879 17705 8329 1 20 . 1 1 115 115 ASP CB C 81 37.258 37.258 41.844 -4.586 17705 8330 1 20 . 1 1 115 115 ASP H H 81 9.445 9.445 8.112 1.333 17705 8331 1 20 . 1 1 116 116 GLY N N 82 100.657 100.657 106.722 -6.065 17705 8332 1 20 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.024 -2.139 17705 8333 1 20 . 1 1 116 116 GLY H H 82 8.008 8.008 8.204 -0.196 17705 8334 1 20 . 1 1 117 117 ARG N N 83 120.179 120.179 118.692 1.487 17705 8335 1 20 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.481 0.065 17705 8336 1 20 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.617 -4.669 17705 8337 1 20 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.936 -1.368 17705 8338 1 20 . 1 1 117 117 ARG H H 83 7.499 7.499 8.062 -0.563 17705 8339 1 20 . 1 1 118 118 GLU N N 84 121.274 121.274 116.787 4.487 17705 8340 1 20 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.505 -0.186 17705 8341 1 20 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.064 -3.047 17705 8342 1 20 . 1 1 118 118 GLU CB C 84 27.189 27.189 30.944 -3.755 17705 8343 1 20 . 1 1 118 118 GLU H H 84 8.369 8.369 7.885 0.484 17705 8344 1 20 . 1 1 119 119 LEU N N 85 128.104 128.104 119.563 8.541 17705 8345 1 20 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.735 -0.185 17705 8346 1 20 . 1 1 119 119 LEU CA C 85 51.786 51.786 53.155 -1.369 17705 8347 1 20 . 1 1 119 119 LEU CB C 85 40.888 40.888 46.263 -5.375 17705 8348 1 20 . 1 1 119 119 LEU H H 85 9.356 9.356 8.502 0.854 17705 8349 1 20 . 1 1 120 120 ARG N N 86 121.349 121.349 120.542 0.807 17705 8350 1 20 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.167 -0.013 17705 8351 1 20 . 1 1 120 120 ARG CA C 86 51.649 51.649 54.023 -2.374 17705 8352 1 20 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.471 -3.896 17705 8353 1 20 . 1 1 120 120 ARG H H 86 7.677 7.677 8.220 -0.543 17705 8354 1 20 . 1 1 121 121 VAL N N 87 126.888 126.888 123.250 3.638 17705 8355 1 20 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.990 0.151 17705 8356 1 20 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.782 -2.256 17705 8357 1 20 . 1 1 121 121 VAL CB C 87 31.933 31.933 34.974 -3.041 17705 8358 1 20 . 1 1 121 121 VAL H H 87 9.435 9.435 8.812 0.623 17705 8359 1 20 . 1 1 122 122 GLN N N 88 122.184 122.184 122.376 -0.192 17705 8360 1 20 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.678 0.257 17705 8361 1 20 . 1 1 122 122 GLN CA C 88 50.990 50.990 54.012 -3.022 17705 8362 1 20 . 1 1 122 122 GLN CB C 88 31.360 31.360 32.149 -0.789 17705 8363 1 20 . 1 1 122 122 GLN H H 88 8.520 8.520 9.191 -0.671 17705 8364 1 20 . 1 1 123 123 MET N N 89 122.187 122.187 121.841 0.346 17705 8365 1 20 . 1 1 123 123 MET HA H 89 4.660 4.660 4.267 0.393 17705 8366 1 20 . 1 1 123 123 MET CB C 89 29.398 29.398 31.930 -2.532 17705 8367 1 20 . 1 1 123 123 MET H H 89 8.699 8.699 8.967 -0.268 17705 8368 1 20 . 1 1 124 124 ALA N N 90 127.406 127.406 126.323 1.083 17705 8369 1 20 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.188 0.261 17705 8370 1 20 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.267 -2.684 17705 8371 1 20 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.687 -1.889 17705 8372 1 20 . 1 1 124 124 ALA H H 90 8.592 8.592 8.427 0.165 17705 8373 1 20 . 1 1 125 125 ARG N N 91 119.981 119.981 113.893 6.088 17705 8374 1 20 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.870 0.449 17705 8375 1 20 . 1 1 125 125 ARG CA C 91 53.218 53.218 56.667 -3.450 17705 8376 1 20 . 1 1 125 125 ARG CB C 91 28.634 28.634 26.955 1.679 17705 8377 1 20 . 1 1 125 125 ARG H H 91 8.299 8.299 8.060 0.239 17705 8378 1 20 . 1 1 126 126 TYR N N 92 121.757 121.757 116.489 5.268 17705 8379 1 20 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.856 -0.390 17705 8380 1 20 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.339 -1.249 17705 8381 1 20 . 1 1 126 126 TYR CB C 92 36.470 36.470 43.003 -6.533 17705 8382 1 20 . 1 1 126 126 TYR H H 92 8.182 8.182 7.647 0.535 17705 8383 1 20 . 1 1 127 127 GLY N N 93 110.707 110.707 107.219 3.488 17705 8384 1 20 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.076 -2.734 17705 8385 1 20 . 1 1 127 127 GLY H H 93 7.969 7.969 8.359 -0.390 17705 8386 1 20 . 1 1 128 128 ARG N N 94 121.504 121.504 122.734 -1.230 17705 8387 1 20 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.311 0.154 17705 8388 1 20 . 1 1 128 128 ARG CA C 94 51.049 51.049 55.155 -4.106 17705 8389 1 20 . 1 1 128 128 ARG H H 94 7.930 7.930 8.451 -0.521 17705 8390 1 20 . 1 1 131 131 ASP N N 97 120.004 120.004 119.799 0.205 17705 8391 1 20 . 1 1 131 131 ASP H H 97 8.289 8.289 8.942 -0.653 17705 8392 1 20 . 1 1 132 132 SER N N 98 115.594 115.594 111.401 4.193 17705 8393 1 20 . 1 1 132 132 SER HA H 98 4.348 4.348 4.666 -0.318 17705 8394 1 20 . 1 1 132 132 SER CB C 98 61.181 61.181 64.740 -3.559 17705 8395 1 20 . 1 1 132 132 SER H H 98 8.128 8.128 7.745 0.383 17705 8396 1 20 . 1 1 133 133 HIS CB C 99 27.069 27.069 33.031 -5.962 17705 8397 1 20 . 1 1 133 133 HIS H H 99 8.290 8.290 7.351 0.939 17705 8398 1 20 . 1 1 134 134 HIS N N 100 120.371 120.371 119.838 0.533 17705 8399 1 20 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.502 -4.452 17705 8400 1 20 . 1 1 134 134 HIS H H 100 7.251 7.251 7.767 -0.516 17705 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 90 3.602 -0.835 3.523 17705 2 1 1 "Average Difference" HA 99 0.366 -0.003 0.367 17705 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17705 4 1 1 "Average Difference" CA 76 2.903 2.643 1.207 17705 5 1 1 "Average Difference" CB 79 2.899 2.529 1.426 17705 6 1 1 "Average Difference" HN 92 0.643 -0.096 0.639 17705 7 1 2 "Average Difference" N 90 3.501 -0.840 3.417 17705 8 1 2 "Average Difference" HA 99 0.360 0.035 0.360 17705 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17705 10 1 2 "Average Difference" CA 76 2.891 2.644 1.177 17705 11 1 2 "Average Difference" CB 79 2.850 2.542 1.296 17705 12 1 2 "Average Difference" HN 92 0.591 -0.053 0.592 17705 13 1 3 "Average Difference" N 90 3.530 -0.960 3.417 17705 14 1 3 "Average Difference" HA 99 0.378 0.039 0.378 17705 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17705 16 1 3 "Average Difference" CA 76 2.883 2.625 1.199 17705 17 1 3 "Average Difference" CB 79 2.939 2.579 1.420 17705 18 1 3 "Average Difference" HN 92 0.602 -0.049 0.603 17705 19 1 4 "Average Difference" N 90 3.609 -0.986 3.491 17705 20 1 4 "Average Difference" HA 99 0.360 0.027 0.360 17705 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17705 22 1 4 "Average Difference" CA 76 2.772 2.529 1.142 17705 23 1 4 "Average Difference" CB 79 2.923 2.568 1.406 17705 24 1 4 "Average Difference" HN 92 0.597 -0.065 0.596 17705 25 1 5 "Average Difference" N 90 3.746 -1.101 3.601 17705 26 1 5 "Average Difference" HA 99 0.359 0.019 0.360 17705 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17705 28 1 5 "Average Difference" CA 76 2.816 2.555 1.190 17705 29 1 5 "Average Difference" CB 79 2.965 2.616 1.405 17705 30 1 5 "Average Difference" HN 92 0.620 -0.111 0.614 17705 31 1 6 "Average Difference" N 90 3.511 -0.889 3.416 17705 32 1 6 "Average Difference" HA 99 0.370 0.053 0.368 17705 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17705 34 1 6 "Average Difference" CA 76 2.743 2.510 1.114 17705 35 1 6 "Average Difference" CB 79 2.907 2.575 1.357 17705 36 1 6 "Average Difference" HN 92 0.593 -0.048 0.594 17705 37 1 7 "Average Difference" N 90 3.583 -0.987 3.464 17705 38 1 7 "Average Difference" HA 99 0.362 0.042 0.362 17705 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17705 40 1 7 "Average Difference" CA 76 2.749 2.493 1.167 17705 41 1 7 "Average Difference" CB 79 2.911 2.553 1.408 17705 42 1 7 "Average Difference" HN 92 0.583 -0.067 0.583 17705 43 1 8 "Average Difference" N 90 3.717 -0.975 3.607 17705 44 1 8 "Average Difference" HA 99 0.374 0.028 0.375 17705 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17705 46 1 8 "Average Difference" CA 76 2.741 2.529 1.064 17705 47 1 8 "Average Difference" CB 79 3.035 2.643 1.502 17705 48 1 8 "Average Difference" HN 92 0.589 -0.036 0.591 17705 49 1 9 "Average Difference" N 90 3.570 -0.955 3.459 17705 50 1 9 "Average Difference" HA 99 0.363 0.033 0.363 17705 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17705 52 1 9 "Average Difference" CA 76 2.830 2.612 1.096 17705 53 1 9 "Average Difference" CB 79 2.921 2.557 1.422 17705 54 1 9 "Average Difference" HN 92 0.573 -0.072 0.572 17705 55 1 10 "Average Difference" N 90 3.756 -1.156 3.594 17705 56 1 10 "Average Difference" HA 99 0.389 0.051 0.387 17705 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17705 58 1 10 "Average Difference" CA 76 2.682 2.452 1.095 17705 59 1 10 "Average Difference" CB 79 3.005 2.628 1.468 17705 60 1 10 "Average Difference" HN 92 0.577 -0.063 0.577 17705 61 1 11 "Average Difference" N 90 3.575 -0.934 3.470 17705 62 1 11 "Average Difference" HA 99 0.370 0.044 0.369 17705 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17705 64 1 11 "Average Difference" CA 76 2.780 2.539 1.139 17705 65 1 11 "Average Difference" CB 79 3.056 2.674 1.490 17705 66 1 11 "Average Difference" HN 92 0.604 -0.057 0.605 17705 67 1 12 "Average Difference" N 90 3.736 -1.040 3.609 17705 68 1 12 "Average Difference" HA 99 0.364 0.044 0.363 17705 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17705 70 1 12 "Average Difference" CA 76 2.805 2.572 1.125 17705 71 1 12 "Average Difference" CB 79 2.972 2.608 1.434 17705 72 1 12 "Average Difference" HN 92 0.570 -0.064 0.570 17705 73 1 13 "Average Difference" N 90 3.694 -0.944 3.591 17705 74 1 13 "Average Difference" HA 99 0.358 0.049 0.356 17705 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17705 76 1 13 "Average Difference" CA 76 2.745 2.530 1.074 17705 77 1 13 "Average Difference" CB 79 2.994 2.644 1.415 17705 78 1 13 "Average Difference" HN 92 0.570 -0.061 0.570 17705 79 1 14 "Average Difference" N 90 3.789 -0.962 3.685 17705 80 1 14 "Average Difference" HA 99 0.386 0.049 0.384 17705 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17705 82 1 14 "Average Difference" CA 76 2.935 2.681 1.203 17705 83 1 14 "Average Difference" CB 79 2.869 2.549 1.325 17705 84 1 14 "Average Difference" HN 92 0.575 -0.044 0.576 17705 85 1 15 "Average Difference" N 90 3.586 -0.901 3.490 17705 86 1 15 "Average Difference" HA 99 0.390 0.054 0.388 17705 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17705 88 1 15 "Average Difference" CA 76 2.818 2.571 1.161 17705 89 1 15 "Average Difference" CB 79 2.969 2.609 1.426 17705 90 1 15 "Average Difference" HN 92 0.604 -0.075 0.602 17705 91 1 16 "Average Difference" N 90 3.758 -0.956 3.655 17705 92 1 16 "Average Difference" HA 99 0.375 0.046 0.374 17705 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17705 94 1 16 "Average Difference" CA 76 2.828 2.569 1.191 17705 95 1 16 "Average Difference" CB 79 2.830 2.490 1.355 17705 96 1 16 "Average Difference" HN 92 0.571 -0.079 0.568 17705 97 1 17 "Average Difference" N 90 3.549 -0.850 3.465 17705 98 1 17 "Average Difference" HA 99 0.374 0.036 0.375 17705 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17705 100 1 17 "Average Difference" CA 76 2.764 2.549 1.077 17705 101 1 17 "Average Difference" CB 79 2.980 2.613 1.441 17705 102 1 17 "Average Difference" HN 92 0.573 -0.065 0.572 17705 103 1 18 "Average Difference" N 90 3.641 -0.973 3.528 17705 104 1 18 "Average Difference" HA 99 0.367 0.039 0.366 17705 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17705 106 1 18 "Average Difference" CA 76 2.787 2.567 1.094 17705 107 1 18 "Average Difference" CB 79 2.877 2.522 1.394 17705 108 1 18 "Average Difference" HN 92 0.595 -0.095 0.590 17705 109 1 19 "Average Difference" N 90 3.630 -1.119 3.472 17705 110 1 19 "Average Difference" HA 99 0.382 0.044 0.382 17705 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17705 112 1 19 "Average Difference" CA 76 2.760 2.503 1.172 17705 113 1 19 "Average Difference" CB 79 2.961 2.631 1.366 17705 114 1 19 "Average Difference" HN 92 0.594 -0.063 0.594 17705 115 1 20 "Average Difference" N 90 3.621 -0.866 3.536 17705 116 1 20 "Average Difference" HA 99 0.358 0.039 0.358 17705 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17705 118 1 20 "Average Difference" CA 76 2.842 2.613 1.125 17705 119 1 20 "Average Difference" CB 79 2.972 2.594 1.459 17705 120 1 20 "Average Difference" HN 92 0.580 -0.101 0.575 17705 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 17705 _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 36 36 SER N N 2 116.240 116.240 117.441 -1.201 17705 2 1 . 1 1 36 36 SER HA H 2 4.389 4.389 4.883 -0.494 17705 3 1 . 1 1 36 36 SER CB C 2 61.141 61.141 64.806 -3.665 17705 4 1 . 1 1 36 36 SER H H 2 8.111 8.111 8.554 -0.443 17705 5 1 . 1 1 37 37 TYR N N 3 121.776 121.776 117.099 4.677 17705 6 1 . 1 1 37 37 TYR HA H 3 4.545 4.545 4.992 -0.447 17705 7 1 . 1 1 37 37 TYR CA C 3 55.295 55.295 57.674 -2.379 17705 8 1 . 1 1 37 37 TYR CB C 3 36.113 36.113 39.567 -3.454 17705 9 1 . 1 1 37 37 TYR H H 3 8.062 8.062 8.295 -0.233 17705 10 1 . 1 1 38 38 GLY N N 4 110.102 110.102 107.691 2.411 17705 11 1 . 1 1 38 38 GLY CA C 4 42.578 42.578 44.725 -2.147 17705 12 1 . 1 1 38 38 GLY H H 4 8.221 8.221 7.915 0.306 17705 13 1 . 1 1 39 39 ARG N N 5 121.307 121.307 120.096 1.211 17705 14 1 . 1 1 39 39 ARG HA H 5 4.582 4.582 4.643 -0.061 17705 15 1 . 1 1 39 39 ARG CA C 5 51.020 51.020 54.220 -3.200 17705 16 1 . 1 1 39 39 ARG CB C 5 27.731 27.731 31.113 -3.382 17705 17 1 . 1 1 39 39 ARG H H 5 7.967 7.967 8.207 -0.240 17705 18 1 . 1 1 42 42 PRO HA H 8 4.331 4.331 4.470 -0.139 17705 19 1 . 1 1 42 42 PRO CA C 8 60.519 60.519 63.378 -2.859 17705 20 1 . 1 1 42 42 PRO CB C 8 29.290 29.290 32.640 -3.350 17705 21 1 . 1 1 43 43 ASP N N 9 119.234 119.234 116.636 2.598 17705 22 1 . 1 1 43 43 ASP HA H 9 4.542 4.542 4.640 -0.098 17705 23 1 . 1 1 43 43 ASP CB C 9 38.419 38.419 41.760 -3.341 17705 24 1 . 1 1 43 43 ASP H H 9 8.260 8.260 8.388 -0.128 17705 25 1 . 1 1 44 44 VAL N N 10 119.005 119.005 114.879 4.126 17705 26 1 . 1 1 44 44 VAL HA H 10 4.031 4.031 3.749 0.282 17705 27 1 . 1 1 44 44 VAL CA C 10 60.068 60.068 63.480 -3.412 17705 28 1 . 1 1 44 44 VAL CB C 10 29.848 29.848 30.761 -0.913 17705 29 1 . 1 1 44 44 VAL H H 10 7.903 7.903 7.826 0.077 17705 30 1 . 1 1 45 45 GLU N N 11 122.556 122.556 119.996 2.560 17705 31 1 . 1 1 45 45 GLU HA H 11 4.132 4.132 4.177 -0.045 17705 32 1 . 1 1 45 45 GLU CA C 11 54.758 54.758 57.711 -2.953 17705 33 1 . 1 1 45 45 GLU CB C 11 27.210 27.210 29.044 -1.834 17705 34 1 . 1 1 45 45 GLU H H 11 8.304 8.304 8.684 -0.380 17705 35 1 . 1 1 46 46 GLY N N 12 108.250 108.250 105.453 2.797 17705 36 1 . 1 1 46 46 GLY CA C 12 42.772 42.772 44.991 -2.219 17705 37 1 . 1 1 46 46 GLY H H 12 8.187 8.187 7.982 0.205 17705 38 1 . 1 1 47 47 MET N N 13 118.678 118.678 118.398 0.280 17705 39 1 . 1 1 47 47 MET HA H 13 4.606 4.606 4.971 -0.365 17705 40 1 . 1 1 47 47 MET CB C 13 30.713 30.713 36.334 -5.621 17705 41 1 . 1 1 47 47 MET H H 13 7.798 7.798 7.509 0.289 17705 42 1 . 1 1 48 48 THR N N 14 116.971 116.971 115.082 1.889 17705 43 1 . 1 1 48 48 THR HA H 14 4.469 4.469 4.644 -0.175 17705 44 1 . 1 1 48 48 THR CA C 14 60.072 60.072 62.448 -2.376 17705 45 1 . 1 1 48 48 THR CB C 14 67.533 67.533 71.198 -3.664 17705 46 1 . 1 1 48 48 THR H H 14 8.693 8.693 8.717 -0.024 17705 47 1 . 1 1 49 49 SER N N 15 121.549 121.549 117.907 3.642 17705 48 1 . 1 1 49 49 SER HA H 15 5.369 5.369 5.011 0.358 17705 49 1 . 1 1 49 49 SER CA C 15 55.530 55.530 59.370 -3.840 17705 50 1 . 1 1 49 49 SER CB C 15 62.465 62.465 64.140 -1.675 17705 51 1 . 1 1 49 49 SER H H 15 8.813 8.813 8.204 0.609 17705 52 1 . 1 1 50 50 LEU N N 16 122.760 122.760 124.661 -1.901 17705 53 1 . 1 1 50 50 LEU HA H 16 5.115 5.115 4.504 0.611 17705 54 1 . 1 1 50 50 LEU CA C 16 50.197 50.197 53.862 -3.665 17705 55 1 . 1 1 50 50 LEU CB C 16 41.621 41.621 44.764 -3.143 17705 56 1 . 1 1 50 50 LEU H H 16 9.287 9.287 8.317 0.970 17705 57 1 . 1 1 51 51 LYS N N 17 123.384 123.384 123.880 -0.496 17705 58 1 . 1 1 51 51 LYS HA H 17 4.794 4.794 5.286 -0.492 17705 59 1 . 1 1 51 51 LYS CA C 17 52.581 52.581 54.412 -1.831 17705 60 1 . 1 1 51 51 LYS CB C 17 32.253 32.253 35.770 -3.517 17705 61 1 . 1 1 51 51 LYS H H 17 9.240 9.240 8.868 0.372 17705 62 1 . 1 1 52 52 VAL N N 18 129.496 129.496 125.241 4.255 17705 63 1 . 1 1 52 52 VAL HA H 18 4.765 4.765 4.768 -0.003 17705 64 1 . 1 1 52 52 VAL CA C 18 58.230 58.230 60.671 -2.441 17705 65 1 . 1 1 52 52 VAL CB C 18 30.753 30.753 35.700 -4.947 17705 66 1 . 1 1 52 52 VAL H H 18 9.194 9.194 7.927 1.267 17705 67 1 . 1 1 53 53 ASP N N 19 126.148 126.148 124.473 1.675 17705 68 1 . 1 1 53 53 ASP HA H 19 5.298 5.298 5.060 0.238 17705 69 1 . 1 1 53 53 ASP CA C 19 50.063 50.063 52.199 -2.136 17705 70 1 . 1 1 53 53 ASP CB C 19 42.733 42.733 44.905 -2.172 17705 71 1 . 1 1 53 53 ASP H H 19 9.382 9.382 8.906 0.476 17705 72 1 . 1 1 54 54 ASN N N 20 113.840 113.840 117.400 -3.560 17705 73 1 . 1 1 54 54 ASN HA H 20 4.458 4.458 4.643 -0.185 17705 74 1 . 1 1 54 54 ASN CA C 20 51.127 51.127 54.193 -3.066 17705 75 1 . 1 1 54 54 ASN CB C 20 35.050 35.050 38.138 -3.088 17705 76 1 . 1 1 54 54 ASN H H 20 8.736 8.736 8.645 0.091 17705 77 1 . 1 1 55 55 LEU N N 21 115.267 115.267 122.307 -7.040 17705 78 1 . 1 1 55 55 LEU HA H 21 4.389 4.389 4.721 -0.332 17705 79 1 . 1 1 55 55 LEU CA C 21 51.169 51.169 53.478 -2.309 17705 80 1 . 1 1 55 55 LEU CB C 21 41.175 41.175 45.513 -4.338 17705 81 1 . 1 1 55 55 LEU H H 21 7.661 7.661 8.621 -0.960 17705 82 1 . 1 1 56 56 THR N N 22 111.721 111.721 113.825 -2.105 17705 83 1 . 1 1 56 56 THR CB C 22 68.066 68.066 69.726 -1.660 17705 84 1 . 1 1 56 56 THR H H 22 8.377 8.377 8.418 -0.041 17705 85 1 . 1 1 57 57 TYR N N 23 122.454 122.454 117.850 4.604 17705 86 1 . 1 1 57 57 TYR HA H 23 4.308 4.308 4.187 0.121 17705 87 1 . 1 1 57 57 TYR CA C 23 56.577 56.577 59.280 -2.703 17705 88 1 . 1 1 57 57 TYR CB C 23 34.393 34.393 36.308 -1.915 17705 89 1 . 1 1 57 57 TYR H H 23 8.601 8.601 8.057 0.544 17705 90 1 . 1 1 58 58 ARG N N 24 114.958 114.958 118.305 -3.346 17705 91 1 . 1 1 58 58 ARG HA H 24 4.214 4.214 4.246 -0.032 17705 92 1 . 1 1 58 58 ARG CA C 24 53.271 53.271 55.536 -2.265 17705 93 1 . 1 1 58 58 ARG CB C 24 27.388 27.388 30.904 -3.516 17705 94 1 . 1 1 58 58 ARG H H 24 7.366 7.366 7.920 -0.554 17705 95 1 . 1 1 59 59 THR N N 25 119.016 119.016 115.546 3.470 17705 96 1 . 1 1 59 59 THR HA H 25 4.037 4.037 4.105 -0.068 17705 97 1 . 1 1 59 59 THR CA C 25 62.031 62.031 64.753 -2.722 17705 98 1 . 1 1 59 59 THR CB C 25 65.705 65.705 68.924 -3.219 17705 99 1 . 1 1 59 59 THR H H 25 7.356 7.356 8.085 -0.729 17705 100 1 . 1 1 60 60 SER N N 26 124.554 124.554 113.665 10.889 17705 101 1 . 1 1 60 60 SER HA H 26 4.834 4.834 4.219 0.615 17705 102 1 . 1 1 60 60 SER CA C 26 52.978 52.978 58.590 -5.612 17705 103 1 . 1 1 60 60 SER CB C 26 61.637 61.637 62.962 -1.325 17705 104 1 . 1 1 60 60 SER H H 26 8.404 8.404 7.903 0.501 17705 105 1 . 1 1 61 61 PRO HA H 27 4.041 4.041 4.283 -0.242 17705 106 1 . 1 1 61 61 PRO CA C 27 63.077 63.077 65.334 -2.257 17705 107 1 . 1 1 62 62 ASP N N 28 115.821 115.821 117.868 -2.047 17705 108 1 . 1 1 62 62 ASP HA H 28 4.373 4.373 4.470 -0.097 17705 109 1 . 1 1 62 62 ASP CA C 28 54.581 54.581 57.797 -3.216 17705 110 1 . 1 1 62 62 ASP CB C 28 38.215 38.215 40.421 -2.206 17705 111 1 . 1 1 62 62 ASP H H 28 8.022 8.022 8.668 -0.646 17705 112 1 . 1 1 63 63 THR N N 29 118.403 118.403 116.737 1.666 17705 113 1 . 1 1 63 63 THR HA H 29 3.898 3.898 4.103 -0.205 17705 114 1 . 1 1 63 63 THR CA C 29 63.704 63.704 66.122 -2.418 17705 115 1 . 1 1 63 63 THR CB C 29 65.555 65.555 68.729 -3.174 17705 116 1 . 1 1 63 63 THR H H 29 7.791 7.791 7.644 0.147 17705 117 1 . 1 1 64 64 LEU N N 30 119.247 119.247 121.313 -2.066 17705 118 1 . 1 1 64 64 LEU HA H 30 4.038 4.038 4.183 -0.145 17705 119 1 . 1 1 64 64 LEU CA C 30 55.100 55.100 57.844 -2.744 17705 120 1 . 1 1 64 64 LEU CB C 30 39.802 39.802 41.603 -1.801 17705 121 1 . 1 1 64 64 LEU H H 30 7.607 7.607 7.665 -0.058 17705 122 1 . 1 1 65 65 ARG N N 31 118.798 118.798 119.394 -0.596 17705 123 1 . 1 1 65 65 ARG HA H 31 3.640 3.640 4.109 -0.469 17705 124 1 . 1 1 65 65 ARG CA C 31 58.315 58.315 59.008 -0.693 17705 125 1 . 1 1 65 65 ARG CB C 31 27.554 27.554 29.827 -2.273 17705 126 1 . 1 1 65 65 ARG H H 31 8.547 8.547 8.062 0.485 17705 127 1 . 1 1 66 66 ARG N N 32 116.038 116.038 117.571 -1.533 17705 128 1 . 1 1 66 66 ARG HA H 32 4.062 4.062 4.329 -0.267 17705 129 1 . 1 1 66 66 ARG CA C 32 56.686 56.686 58.469 -1.783 17705 130 1 . 1 1 66 66 ARG H H 32 7.732 7.732 7.701 0.031 17705 131 1 . 1 1 67 67 VAL N N 33 115.825 115.825 118.200 -2.375 17705 132 1 . 1 1 67 67 VAL HA H 33 3.844 3.844 3.920 -0.076 17705 133 1 . 1 1 67 67 VAL CA C 33 62.730 62.730 64.447 -1.717 17705 134 1 . 1 1 67 67 VAL CB C 33 29.490 29.490 32.339 -2.849 17705 135 1 . 1 1 67 67 VAL H H 33 7.837 7.837 7.611 0.226 17705 136 1 . 1 1 68 68 PHE N N 34 116.175 116.175 116.568 -0.393 17705 137 1 . 1 1 68 68 PHE HA H 34 4.497 4.497 4.899 -0.402 17705 138 1 . 1 1 68 68 PHE CA C 34 60.254 60.254 59.500 0.754 17705 139 1 . 1 1 68 68 PHE CB C 34 36.260 36.260 41.221 -4.961 17705 140 1 . 1 1 68 68 PHE H H 34 8.194 8.194 7.695 0.499 17705 141 1 . 1 1 69 69 GLU N N 35 119.377 119.377 121.207 -1.830 17705 142 1 . 1 1 69 69 GLU HA H 35 5.049 5.049 4.206 0.843 17705 143 1 . 1 1 69 69 GLU CA C 35 54.911 54.911 58.990 -4.079 17705 144 1 . 1 1 69 69 GLU CB C 35 26.222 26.222 28.820 -2.598 17705 145 1 . 1 1 69 69 GLU H H 35 8.669 8.669 8.875 -0.206 17705 146 1 . 1 1 70 70 LYS N N 36 118.371 118.371 118.957 -0.586 17705 147 1 . 1 1 70 70 LYS HA H 36 3.872 3.872 4.018 -0.146 17705 148 1 . 1 1 70 70 LYS CA C 36 55.479 55.479 58.385 -2.906 17705 149 1 . 1 1 70 70 LYS CB C 36 29.220 29.220 31.446 -2.226 17705 150 1 . 1 1 70 70 LYS H H 36 6.866 6.866 8.241 -1.375 17705 151 1 . 1 1 71 71 TYR N N 37 115.053 115.053 118.176 -3.123 17705 152 1 . 1 1 71 71 TYR HA H 37 4.313 4.313 4.352 -0.039 17705 153 1 . 1 1 71 71 TYR CA C 37 56.131 56.131 59.806 -3.675 17705 154 1 . 1 1 71 71 TYR CB C 37 36.762 36.762 39.085 -2.324 17705 155 1 . 1 1 71 71 TYR H H 37 7.637 7.637 7.776 -0.139 17705 156 1 . 1 1 72 72 GLY N N 38 104.732 104.732 105.815 -1.083 17705 157 1 . 1 1 72 72 GLY CA C 38 41.693 41.693 45.348 -3.655 17705 158 1 . 1 1 72 72 GLY H H 38 7.353 7.353 7.973 -0.620 17705 159 1 . 1 1 73 73 ARG N N 39 115.823 115.823 119.071 -3.248 17705 160 1 . 1 1 73 73 ARG HA H 39 4.326 4.326 4.467 -0.141 17705 161 1 . 1 1 73 73 ARG CA C 39 54.564 54.564 55.109 -0.545 17705 162 1 . 1 1 73 73 ARG CB C 39 27.851 27.851 33.103 -5.252 17705 163 1 . 1 1 73 73 ARG H H 39 7.975 7.975 8.137 -0.162 17705 164 1 . 1 1 74 74 VAL N N 40 129.287 129.287 120.327 8.960 17705 165 1 . 1 1 74 74 VAL HA H 40 3.691 3.691 3.469 0.222 17705 166 1 . 1 1 74 74 VAL CA C 40 59.277 59.277 60.926 -1.649 17705 167 1 . 1 1 74 74 VAL CB C 40 30.718 30.718 33.481 -2.763 17705 168 1 . 1 1 74 74 VAL H H 40 8.826 8.826 8.425 0.401 17705 169 1 . 1 1 75 75 GLY N N 41 115.247 115.247 114.986 0.261 17705 170 1 . 1 1 75 75 GLY CA C 41 43.210 43.210 46.040 -2.830 17705 171 1 . 1 1 75 75 GLY H H 41 9.023 9.023 8.156 0.867 17705 172 1 . 1 1 76 76 ASP N N 42 117.313 117.313 118.568 -1.255 17705 173 1 . 1 1 76 76 ASP HA H 42 4.647 4.647 4.840 -0.193 17705 174 1 . 1 1 76 76 ASP CB C 42 41.581 41.581 44.748 -3.167 17705 175 1 . 1 1 76 76 ASP H H 42 7.375 7.375 8.068 -0.693 17705 176 1 . 1 1 77 77 VAL N N 43 121.209 121.209 122.927 -1.718 17705 177 1 . 1 1 77 77 VAL HA H 43 4.643 4.643 4.324 0.319 17705 178 1 . 1 1 77 77 VAL CB C 43 32.042 32.042 33.851 -1.809 17705 179 1 . 1 1 77 77 VAL H H 43 7.799 7.799 8.489 -0.690 17705 180 1 . 1 1 78 78 TYR N N 44 127.478 127.478 126.393 1.085 17705 181 1 . 1 1 78 78 TYR HA H 44 5.054 5.054 4.809 0.245 17705 182 1 . 1 1 78 78 TYR CA C 44 52.893 52.893 56.465 -3.572 17705 183 1 . 1 1 78 78 TYR CB C 44 38.774 38.774 41.041 -2.267 17705 184 1 . 1 1 78 78 TYR H H 44 9.056 9.056 8.077 0.979 17705 185 1 . 1 1 79 79 ILE N N 45 128.848 128.848 119.923 8.925 17705 186 1 . 1 1 79 79 ILE HA H 45 4.397 4.397 4.289 0.108 17705 187 1 . 1 1 79 79 ILE CA C 45 55.655 55.655 57.137 -1.482 17705 188 1 . 1 1 79 79 ILE CB C 45 36.370 36.370 39.873 -3.502 17705 189 1 . 1 1 79 79 ILE H H 45 8.484 8.484 8.494 -0.010 17705 190 1 . 1 1 80 80 PRO HA H 46 4.059 4.059 4.675 -0.616 17705 191 1 . 1 1 80 80 PRO CA C 46 59.761 59.761 62.483 -2.722 17705 192 1 . 1 1 81 81 ARG N N 47 119.796 119.796 120.113 -0.317 17705 193 1 . 1 1 81 81 ARG HA H 47 4.436 4.436 4.137 0.299 17705 194 1 . 1 1 81 81 ARG CB C 47 29.974 29.974 30.743 -0.769 17705 195 1 . 1 1 81 81 ARG H H 47 8.131 8.131 7.924 0.207 17705 196 1 . 1 1 82 82 ASP N N 48 122.427 122.427 119.639 2.788 17705 197 1 . 1 1 82 82 ASP HA H 48 4.437 4.437 4.396 0.041 17705 198 1 . 1 1 82 82 ASP CA C 48 51.648 51.648 55.131 -3.483 17705 199 1 . 1 1 82 82 ASP CB C 48 40.354 40.354 41.403 -1.049 17705 200 1 . 1 1 82 82 ASP H H 48 8.511 8.511 8.219 0.293 17705 201 1 . 1 1 83 83 ARG N N 49 124.150 124.150 118.270 5.880 17705 202 1 . 1 1 83 83 ARG HA H 49 3.999 3.999 4.408 -0.409 17705 203 1 . 1 1 83 83 ARG CB C 49 27.658 27.658 31.248 -3.590 17705 204 1 . 1 1 83 83 ARG H H 49 8.546 8.546 8.441 0.105 17705 205 1 . 1 1 84 84 TYR N N 50 118.236 118.236 115.257 2.979 17705 206 1 . 1 1 84 84 TYR HA H 50 4.653 4.653 4.977 -0.324 17705 207 1 . 1 1 84 84 TYR CB C 50 35.932 35.932 38.844 -2.912 17705 208 1 . 1 1 84 84 TYR H H 50 8.376 8.376 7.752 0.624 17705 209 1 . 1 1 85 85 THR N N 51 111.445 111.445 113.538 -2.093 17705 210 1 . 1 1 85 85 THR HA H 51 4.306 4.306 4.584 -0.278 17705 211 1 . 1 1 85 85 THR CA C 51 59.280 59.280 60.520 -1.240 17705 212 1 . 1 1 85 85 THR CB C 51 67.748 67.748 70.960 -3.212 17705 213 1 . 1 1 85 85 THR H H 51 8.790 8.790 7.943 0.847 17705 214 1 . 1 1 86 86 LYS N N 52 115.778 115.778 119.351 -3.573 17705 215 1 . 1 1 86 86 LYS HA H 52 3.986 3.986 4.573 -0.587 17705 216 1 . 1 1 86 86 LYS CA C 52 55.190 55.190 55.716 -0.526 17705 217 1 . 1 1 86 86 LYS H H 52 7.947 7.947 8.521 -0.574 17705 218 1 . 1 1 87 87 GLU N N 53 118.931 118.931 117.116 1.815 17705 219 1 . 1 1 87 87 GLU HA H 53 4.322 4.322 4.758 -0.436 17705 220 1 . 1 1 87 87 GLU CB C 53 28.361 28.361 32.009 -3.648 17705 221 1 . 1 1 87 87 GLU H H 53 7.881 7.881 7.670 0.211 17705 222 1 . 1 1 88 88 SER N N 54 116.268 116.268 113.418 2.850 17705 223 1 . 1 1 88 88 SER HA H 54 4.324 4.324 4.782 -0.458 17705 224 1 . 1 1 88 88 SER CA C 54 55.543 55.543 56.432 -0.889 17705 225 1 . 1 1 88 88 SER CB C 54 61.291 61.291 65.247 -3.956 17705 226 1 . 1 1 88 88 SER H H 54 8.472 8.472 8.385 0.087 17705 227 1 . 1 1 89 89 ARG N N 55 121.084 121.084 121.173 -0.089 17705 228 1 . 1 1 89 89 ARG HA H 55 4.333 4.333 4.437 -0.104 17705 229 1 . 1 1 89 89 ARG CB C 55 28.239 28.239 30.566 -2.327 17705 230 1 . 1 1 89 89 ARG H H 55 8.121 8.121 8.616 -0.495 17705 231 1 . 1 1 90 90 GLY CA C 56 43.195 43.195 44.923 -1.728 17705 232 1 . 1 1 90 90 GLY H H 56 8.334 8.334 8.265 0.069 17705 233 1 . 1 1 91 91 PHE N N 57 113.361 113.361 114.929 -1.568 17705 234 1 . 1 1 91 91 PHE HA H 57 5.663 5.663 5.007 0.656 17705 235 1 . 1 1 91 91 PHE CA C 57 51.884 51.884 55.168 -3.285 17705 236 1 . 1 1 91 91 PHE CB C 57 39.460 39.460 40.511 -1.051 17705 237 1 . 1 1 91 91 PHE H H 57 6.980 6.980 7.425 -0.445 17705 238 1 . 1 1 92 92 ALA N N 58 118.350 118.350 123.231 -4.881 17705 239 1 . 1 1 92 92 ALA HA H 58 4.816 4.816 4.361 0.455 17705 240 1 . 1 1 92 92 ALA CA C 58 47.169 47.169 50.737 -3.568 17705 241 1 . 1 1 92 92 ALA CB C 58 23.281 23.281 21.263 2.018 17705 242 1 . 1 1 92 92 ALA H H 58 8.854 8.854 8.121 0.733 17705 243 1 . 1 1 93 93 PHE N N 59 116.210 116.210 118.831 -2.621 17705 244 1 . 1 1 93 93 PHE HA H 59 5.791 5.791 4.662 1.129 17705 245 1 . 1 1 93 93 PHE CA C 59 53.739 53.739 56.694 -2.955 17705 246 1 . 1 1 93 93 PHE CB C 59 38.926 38.926 41.080 -2.154 17705 247 1 . 1 1 93 93 PHE H H 59 9.011 9.011 7.985 1.026 17705 248 1 . 1 1 94 94 VAL N N 60 123.082 123.082 121.430 1.652 17705 249 1 . 1 1 94 94 VAL HA H 60 4.347 4.347 4.378 -0.031 17705 250 1 . 1 1 94 94 VAL CA C 60 58.696 58.696 61.800 -3.104 17705 251 1 . 1 1 94 94 VAL CB C 60 31.593 31.593 32.816 -1.223 17705 252 1 . 1 1 94 94 VAL H H 60 8.878 8.878 7.593 1.285 17705 253 1 . 1 1 95 95 ARG N N 61 125.689 125.689 126.631 -0.942 17705 254 1 . 1 1 95 95 ARG HA H 61 5.232 5.232 5.252 -0.020 17705 255 1 . 1 1 95 95 ARG CA C 61 52.185 52.185 54.358 -2.173 17705 256 1 . 1 1 95 95 ARG H H 61 8.649 8.649 8.992 -0.343 17705 257 1 . 1 1 96 96 PHE N N 62 123.552 123.552 123.833 -0.281 17705 258 1 . 1 1 96 96 PHE HA H 62 4.829 4.829 4.656 0.173 17705 259 1 . 1 1 96 96 PHE CA C 62 54.999 54.999 55.563 -0.564 17705 260 1 . 1 1 96 96 PHE CB C 62 39.483 39.483 41.515 -2.032 17705 261 1 . 1 1 96 96 PHE H H 62 9.152 9.152 8.578 0.574 17705 262 1 . 1 1 97 97 HIS N N 63 119.487 119.487 118.362 1.125 17705 263 1 . 1 1 97 97 HIS HA H 63 4.401 4.401 4.678 -0.277 17705 264 1 . 1 1 97 97 HIS CB C 63 27.417 27.417 30.483 -3.066 17705 265 1 . 1 1 97 97 HIS H H 63 7.904 7.904 8.023 -0.119 17705 266 1 . 1 1 98 98 ASP N N 64 119.624 119.624 119.864 -0.240 17705 267 1 . 1 1 98 98 ASP HA H 64 5.032 5.032 4.902 0.130 17705 268 1 . 1 1 98 98 ASP CA C 64 50.238 50.238 53.193 -2.955 17705 269 1 . 1 1 98 98 ASP CB C 64 41.570 41.570 42.594 -1.024 17705 270 1 . 1 1 98 98 ASP H H 64 9.103 9.103 7.951 1.152 17705 271 1 . 1 1 99 99 LYS N N 65 127.479 127.479 125.904 1.575 17705 272 1 . 1 1 99 99 LYS HA H 65 3.860 3.860 4.138 -0.277 17705 273 1 . 1 1 99 99 LYS CA C 65 57.124 57.124 58.771 -1.647 17705 274 1 . 1 1 99 99 LYS CB C 65 30.285 30.285 32.292 -2.007 17705 275 1 . 1 1 99 99 LYS H H 65 8.743 8.743 8.835 -0.092 17705 276 1 . 1 1 100 100 ARG N N 66 118.795 118.795 119.012 -0.217 17705 277 1 . 1 1 100 100 ARG HA H 66 4.063 4.063 4.409 -0.346 17705 278 1 . 1 1 100 100 ARG CA C 66 56.060 56.060 58.390 -2.330 17705 279 1 . 1 1 100 100 ARG CB C 66 26.773 26.773 29.540 -2.766 17705 280 1 . 1 1 100 100 ARG H H 66 8.604 8.604 8.938 -0.334 17705 281 1 . 1 1 101 101 ASP N N 67 119.686 119.686 119.299 0.387 17705 282 1 . 1 1 101 101 ASP HA H 67 4.202 4.202 4.650 -0.448 17705 283 1 . 1 1 101 101 ASP CA C 67 54.218 54.218 57.244 -3.026 17705 284 1 . 1 1 101 101 ASP CB C 67 38.074 38.074 40.560 -2.486 17705 285 1 . 1 1 101 101 ASP H H 67 7.105 7.105 7.937 -0.832 17705 286 1 . 1 1 102 102 ALA N N 68 119.709 119.709 123.016 -3.307 17705 287 1 . 1 1 102 102 ALA HA H 68 2.826 2.826 3.675 -0.849 17705 288 1 . 1 1 102 102 ALA CA C 68 51.679 51.679 54.838 -3.159 17705 289 1 . 1 1 102 102 ALA CB C 68 15.590 15.590 18.522 -2.932 17705 290 1 . 1 1 102 102 ALA H H 68 6.848 6.848 7.976 -1.128 17705 291 1 . 1 1 103 103 GLU N N 69 117.431 117.431 119.869 -2.438 17705 292 1 . 1 1 103 103 GLU HA H 69 3.655 3.655 3.888 -0.233 17705 293 1 . 1 1 103 103 GLU CA C 69 57.169 57.169 59.983 -2.814 17705 294 1 . 1 1 103 103 GLU CB C 69 26.500 26.500 29.541 -3.041 17705 295 1 . 1 1 103 103 GLU H H 69 8.008 8.008 8.309 -0.301 17705 296 1 . 1 1 104 104 ASP N N 70 120.512 120.512 118.973 1.539 17705 297 1 . 1 1 104 104 ASP HA H 70 4.266 4.266 4.404 -0.138 17705 298 1 . 1 1 104 104 ASP CB C 70 37.517 37.517 40.512 -2.995 17705 299 1 . 1 1 104 104 ASP H H 70 8.022 8.022 7.683 0.339 17705 300 1 . 1 1 105 105 ALA N N 71 122.325 122.325 121.907 0.417 17705 301 1 . 1 1 105 105 ALA HA H 71 2.785 2.785 2.595 0.190 17705 302 1 . 1 1 105 105 ALA CA C 71 51.734 51.734 54.436 -2.702 17705 303 1 . 1 1 105 105 ALA CB C 71 17.148 17.148 18.391 -1.243 17705 304 1 . 1 1 105 105 ALA H H 71 8.109 8.109 7.377 0.732 17705 305 1 . 1 1 106 106 MET N N 72 118.595 118.595 118.423 0.172 17705 306 1 . 1 1 106 106 MET HA H 72 3.657 3.657 4.079 -0.422 17705 307 1 . 1 1 106 106 MET CA C 72 57.163 57.163 58.709 -1.546 17705 308 1 . 1 1 106 106 MET CB C 72 30.248 30.248 32.771 -2.523 17705 309 1 . 1 1 106 106 MET H H 72 8.293 8.293 8.123 0.169 17705 310 1 . 1 1 107 107 ASP N N 73 117.126 117.126 119.146 -2.020 17705 311 1 . 1 1 107 107 ASP HA H 73 4.324 4.324 4.508 -0.184 17705 312 1 . 1 1 107 107 ASP CA C 73 54.048 54.048 55.896 -1.848 17705 313 1 . 1 1 107 107 ASP CB C 73 38.348 38.348 40.898 -2.550 17705 314 1 . 1 1 107 107 ASP H H 73 7.784 7.784 8.114 -0.330 17705 315 1 . 1 1 108 108 ALA N N 74 117.971 117.971 117.582 0.389 17705 316 1 . 1 1 108 108 ALA HA H 74 4.111 4.111 4.520 -0.409 17705 317 1 . 1 1 108 108 ALA CA C 74 51.374 51.374 52.189 -0.815 17705 318 1 . 1 1 108 108 ALA CB C 74 17.653 17.653 20.306 -2.653 17705 319 1 . 1 1 108 108 ALA H H 74 7.366 7.366 7.370 -0.003 17705 320 1 . 1 1 109 109 MET N N 75 112.248 112.248 114.969 -2.721 17705 321 1 . 1 1 109 109 MET HA H 75 4.756 4.756 4.548 0.209 17705 322 1 . 1 1 109 109 MET CA C 75 50.696 50.696 54.418 -3.722 17705 323 1 . 1 1 109 109 MET H H 75 8.077 8.077 7.420 0.657 17705 324 1 . 1 1 110 110 ASP N N 76 120.144 120.144 121.563 -1.419 17705 325 1 . 1 1 110 110 ASP HA H 76 4.413 4.413 4.425 -0.012 17705 326 1 . 1 1 110 110 ASP CA C 76 54.930 54.930 55.923 -0.993 17705 327 1 . 1 1 110 110 ASP CB C 76 38.580 38.580 40.904 -2.324 17705 328 1 . 1 1 110 110 ASP H H 76 7.915 7.915 7.914 0.001 17705 329 1 . 1 1 111 111 GLY N N 77 117.810 117.810 114.300 3.510 17705 330 1 . 1 1 111 111 GLY CA C 77 42.848 42.848 45.788 -2.940 17705 331 1 . 1 1 111 111 GLY H H 77 8.680 8.680 8.664 0.016 17705 332 1 . 1 1 112 112 ALA N N 78 123.748 123.748 121.710 2.038 17705 333 1 . 1 1 112 112 ALA HA H 78 4.327 4.327 4.321 0.006 17705 334 1 . 1 1 112 112 ALA CA C 78 48.968 48.968 51.359 -2.391 17705 335 1 . 1 1 112 112 ALA CB C 78 17.479 17.479 19.397 -1.918 17705 336 1 . 1 1 112 112 ALA H H 78 7.918 7.918 7.574 0.344 17705 337 1 . 1 1 113 113 VAL N N 79 118.622 118.622 117.763 0.859 17705 338 1 . 1 1 113 113 VAL HA H 79 4.640 4.640 3.829 0.811 17705 339 1 . 1 1 113 113 VAL CB C 79 29.622 29.622 31.441 -1.819 17705 340 1 . 1 1 113 113 VAL H H 79 8.091 8.091 7.882 0.209 17705 341 1 . 1 1 114 114 LEU N N 80 129.451 129.451 122.137 7.314 17705 342 1 . 1 1 114 114 LEU HA H 80 4.545 4.545 4.257 0.288 17705 343 1 . 1 1 114 114 LEU CA C 80 51.948 51.948 56.631 -4.683 17705 344 1 . 1 1 114 114 LEU CB C 80 42.680 42.680 41.485 1.195 17705 345 1 . 1 1 114 114 LEU H H 80 8.875 8.875 8.370 0.505 17705 346 1 . 1 1 115 115 ASP N N 81 129.610 129.610 117.605 12.005 17705 347 1 . 1 1 115 115 ASP HA H 81 4.233 4.233 4.723 -0.490 17705 348 1 . 1 1 115 115 ASP CA C 81 52.275 52.275 54.417 -2.142 17705 349 1 . 1 1 115 115 ASP CB C 81 37.258 37.258 42.081 -4.823 17705 350 1 . 1 1 115 115 ASP H H 81 9.445 9.445 8.092 1.353 17705 351 1 . 1 1 116 116 GLY N N 82 100.657 100.657 107.432 -6.775 17705 352 1 . 1 1 116 116 GLY CA C 82 42.885 42.885 45.252 -2.367 17705 353 1 . 1 1 116 116 GLY H H 82 8.008 8.008 8.256 -0.248 17705 354 1 . 1 1 117 117 ARG N N 83 120.179 120.179 118.409 1.770 17705 355 1 . 1 1 117 117 ARG HA H 83 4.546 4.546 4.582 -0.036 17705 356 1 . 1 1 117 117 ARG CA C 83 50.948 50.948 55.910 -4.962 17705 357 1 . 1 1 117 117 ARG CB C 83 30.568 30.568 31.792 -1.224 17705 358 1 . 1 1 117 117 ARG H H 83 7.499 7.499 8.114 -0.615 17705 359 1 . 1 1 118 118 GLU N N 84 121.274 121.274 118.854 2.420 17705 360 1 . 1 1 118 118 GLU HA H 84 4.319 4.319 4.282 0.037 17705 361 1 . 1 1 118 118 GLU CA C 84 53.017 53.017 56.351 -3.334 17705 362 1 . 1 1 118 118 GLU CB C 84 27.189 27.189 29.898 -2.709 17705 363 1 . 1 1 118 118 GLU H H 84 8.369 8.369 8.049 0.320 17705 364 1 . 1 1 119 119 LEU N N 85 128.104 128.104 122.078 6.026 17705 365 1 . 1 1 119 119 LEU HA H 85 4.550 4.550 4.244 0.306 17705 366 1 . 1 1 119 119 LEU CA C 85 51.786 51.786 55.881 -4.095 17705 367 1 . 1 1 119 119 LEU CB C 85 40.888 40.888 43.422 -2.534 17705 368 1 . 1 1 119 119 LEU H H 85 9.356 9.356 8.472 0.884 17705 369 1 . 1 1 120 120 ARG N N 86 121.349 121.349 120.524 0.825 17705 370 1 . 1 1 120 120 ARG HA H 86 5.154 5.154 5.073 0.081 17705 371 1 . 1 1 120 120 ARG CA C 86 51.649 51.649 53.847 -2.198 17705 372 1 . 1 1 120 120 ARG CB C 86 29.575 29.575 33.410 -3.835 17705 373 1 . 1 1 120 120 ARG H H 86 7.677 7.677 8.243 -0.566 17705 374 1 . 1 1 121 121 VAL N N 87 126.888 126.888 122.905 3.983 17705 375 1 . 1 1 121 121 VAL HA H 87 5.141 5.141 4.810 0.331 17705 376 1 . 1 1 121 121 VAL CA C 87 58.525 58.525 60.847 -2.322 17705 377 1 . 1 1 121 121 VAL CB C 87 31.933 31.933 35.077 -3.144 17705 378 1 . 1 1 121 121 VAL H H 87 9.435 9.435 8.888 0.547 17705 379 1 . 1 1 122 122 GLN N N 88 122.184 122.184 121.308 0.876 17705 380 1 . 1 1 122 122 GLN HA H 88 4.935 4.935 4.720 0.215 17705 381 1 . 1 1 122 122 GLN CA C 88 50.990 50.990 53.816 -2.826 17705 382 1 . 1 1 122 122 GLN CB C 88 31.360 31.360 31.928 -0.568 17705 383 1 . 1 1 122 122 GLN H H 88 8.520 8.520 8.915 -0.395 17705 384 1 . 1 1 123 123 MET N N 89 122.187 122.187 120.389 1.798 17705 385 1 . 1 1 123 123 MET HA H 89 4.660 4.660 4.307 0.353 17705 386 1 . 1 1 123 123 MET CB C 89 29.398 29.398 32.040 -2.642 17705 387 1 . 1 1 123 123 MET H H 89 8.699 8.699 8.978 -0.279 17705 388 1 . 1 1 124 124 ALA N N 90 127.406 127.406 125.803 1.603 17705 389 1 . 1 1 124 124 ALA HA H 90 4.449 4.449 4.186 0.263 17705 390 1 . 1 1 124 124 ALA CA C 90 49.582 49.582 52.273 -2.691 17705 391 1 . 1 1 124 124 ALA CB C 90 17.798 17.798 19.980 -2.182 17705 392 1 . 1 1 124 124 ALA H H 90 8.592 8.592 8.737 -0.145 17705 393 1 . 1 1 125 125 ARG N N 91 119.981 119.981 113.980 6.001 17705 394 1 . 1 1 125 125 ARG HA H 91 4.319 4.319 3.827 0.492 17705 395 1 . 1 1 125 125 ARG CA C 91 53.218 53.218 57.278 -4.061 17705 396 1 . 1 1 125 125 ARG CB C 91 28.634 28.634 27.732 0.902 17705 397 1 . 1 1 125 125 ARG H H 91 8.299 8.299 8.107 0.192 17705 398 1 . 1 1 126 126 TYR N N 92 121.757 121.757 116.845 4.912 17705 399 1 . 1 1 126 126 TYR HA H 92 4.466 4.466 4.716 -0.250 17705 400 1 . 1 1 126 126 TYR CA C 92 55.090 55.090 56.839 -1.749 17705 401 1 . 1 1 126 126 TYR CB C 92 36.470 36.470 40.384 -3.914 17705 402 1 . 1 1 126 126 TYR H H 92 8.182 8.182 7.746 0.436 17705 403 1 . 1 1 127 127 GLY N N 93 110.707 110.707 107.004 3.703 17705 404 1 . 1 1 127 127 GLY CA C 93 42.342 42.342 45.124 -2.782 17705 405 1 . 1 1 127 127 GLY H H 93 7.969 7.969 8.185 -0.216 17705 406 1 . 1 1 128 128 ARG N N 94 121.504 121.504 120.607 0.897 17705 407 1 . 1 1 128 128 ARG HA H 94 4.465 4.465 4.659 -0.194 17705 408 1 . 1 1 128 128 ARG CA C 94 51.049 51.049 53.996 -2.947 17705 409 1 . 1 1 128 128 ARG H H 94 7.930 7.930 8.333 -0.403 17705 410 1 . 1 1 131 131 ASP N N 97 120.004 120.004 117.988 2.016 17705 411 1 . 1 1 131 131 ASP H H 97 8.289 8.289 8.364 -0.075 17705 412 1 . 1 1 132 132 SER N N 98 115.594 115.594 113.000 2.594 17705 413 1 . 1 1 132 132 SER HA H 98 4.348 4.348 4.604 -0.256 17705 414 1 . 1 1 132 132 SER CB C 98 61.181 61.181 64.252 -3.071 17705 415 1 . 1 1 132 132 SER H H 98 8.128 8.128 8.067 0.061 17705 416 1 . 1 1 133 133 HIS CB C 99 27.069 27.069 30.646 -3.577 17705 417 1 . 1 1 133 133 HIS H H 99 8.290 8.290 8.247 0.043 17705 418 1 . 1 1 134 134 HIS N N 100 120.371 120.371 117.538 2.833 17705 419 1 . 1 1 134 134 HIS CB C 100 27.050 27.050 31.073 -4.023 17705 420 1 . 1 1 134 134 HIS H H 100 7.251 7.251 8.070 -0.819 17705 stop_ save_