data_25601 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25601 _Entry.PDB_ID 2N2K 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 25601 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2 1 1 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3 1 1 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4 1 1 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5 1 1 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6 1 1 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7 1 1 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8 1 1 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 9 1 1 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 10 1 1 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 11 1 1 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 12 1 1 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 13 1 1 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 14 1 1 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 15 1 1 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 16 1 1 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 17 1 1 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 18 1 1 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 19 1 1 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 20 1 1 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 21 1 1 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 22 1 1 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 23 1 1 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 24 1 1 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 25 1 1 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 26 1 1 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 27 1 1 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 28 1 1 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 29 1 1 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 30 1 1 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 31 1 1 . 1 1 17 17 VAL N N 17 117.729 117.729 120.569 -2.840 25601 32 1 1 . 1 1 17 17 VAL H H 17 8.944 8.944 8.823 0.121 25601 33 1 1 . 1 1 18 18 GLU N N 18 119.594 119.594 120.378 -0.784 25601 34 1 1 . 1 1 18 18 GLU H H 18 8.700 8.700 8.248 0.452 25601 35 1 1 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 36 1 1 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 37 1 1 . 1 1 21 21 ASP N N 21 124.036 124.036 122.832 1.204 25601 38 1 1 . 1 1 21 21 ASP H H 21 8.070 8.070 7.829 0.241 25601 39 1 1 . 1 1 22 22 THR N N 22 109.090 109.090 113.035 -3.945 25601 40 1 1 . 1 1 22 22 THR H H 22 7.886 7.886 8.162 -0.276 25601 41 1 1 . 1 1 23 23 ILE N N 23 121.455 121.455 121.980 -0.525 25601 42 1 1 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 43 1 1 . 1 1 25 25 CYS N N 25 121.510 121.510 117.809 3.701 25601 44 1 1 . 1 1 25 25 CYS H H 25 7.940 7.940 7.894 0.046 25601 45 1 1 . 1 1 26 26 VAL N N 26 122.322 122.322 119.670 2.652 25601 46 1 1 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 47 1 1 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 48 1 1 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 49 1 1 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 50 1 1 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 51 1 1 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 52 1 1 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 53 1 1 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 54 1 1 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 55 1 1 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 56 1 1 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 57 1 1 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 58 1 1 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 59 1 1 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 60 1 1 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 61 1 1 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 62 1 1 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 63 1 1 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 64 1 1 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 65 1 1 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 66 1 1 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 67 1 1 . 1 1 39 39 ASP N N 39 113.748 113.748 116.362 -2.614 25601 68 1 1 . 1 1 39 39 ASP H H 39 8.554 8.554 8.841 -0.287 25601 69 1 1 . 1 1 40 40 GLN N N 40 117.015 117.015 117.379 -0.364 25601 70 1 1 . 1 1 40 40 GLN H H 40 7.841 7.841 7.915 -0.074 25601 71 1 1 . 1 1 41 41 GLN N N 41 118.149 118.149 119.865 -1.716 25601 72 1 1 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.015 25601 73 1 1 . 1 1 42 42 ARG N N 42 123.178 123.178 124.167 -0.989 25601 74 1 1 . 1 1 42 42 ARG H H 42 8.514 8.514 8.627 -0.113 25601 75 1 1 . 1 1 43 43 LEU N N 43 124.593 124.593 124.721 -0.128 25601 76 1 1 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 77 1 1 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 78 1 1 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 79 1 1 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 80 1 1 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 81 1 1 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 82 1 1 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 83 1 1 . 1 1 47 47 GLY N N 47 123.105 123.105 104.295 18.810 25601 84 1 1 . 1 1 47 47 GLY H H 47 8.094 8.094 8.414 -0.320 25601 85 1 1 . 1 1 48 48 CYS N N 48 122.066 122.066 119.710 2.356 25601 86 1 1 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 87 1 1 . 1 1 49 49 GLN N N 49 123.249 123.249 121.842 1.407 25601 88 1 1 . 1 1 49 49 GLN H H 49 8.641 8.641 8.589 0.052 25601 89 1 1 . 1 1 50 50 LEU N N 50 125.854 125.854 123.641 2.213 25601 90 1 1 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 91 1 1 . 1 1 51 51 GLU N N 51 123.307 123.307 121.192 2.115 25601 92 1 1 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 93 1 1 . 1 1 52 52 ASP N N 52 120.548 120.548 125.140 -4.592 25601 94 1 1 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 95 1 1 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 96 1 1 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 97 1 1 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 98 1 1 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 99 1 1 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 100 1 1 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 101 1 1 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 102 1 1 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 103 1 1 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 104 1 1 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 105 1 1 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 106 1 1 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 107 1 1 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 108 1 1 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 109 1 1 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 110 1 1 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 111 1 1 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 112 1 1 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 113 1 1 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 114 1 1 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 115 1 1 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 116 1 1 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 117 1 1 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 118 1 1 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 119 1 1 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 120 1 1 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 121 1 1 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 122 1 1 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 123 1 1 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 124 1 1 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 125 1 1 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 126 1 1 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 127 1 1 . 1 1 70 70 VAL N N 70 127.016 127.016 121.547 5.469 25601 128 1 1 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 129 1 1 . 1 1 71 71 LEU N N 71 123.344 123.344 122.915 0.429 25601 130 1 1 . 1 1 71 71 LEU H H 71 8.116 8.116 8.356 -0.240 25601 131 1 1 . 1 1 72 72 ARG N N 72 123.792 123.792 122.304 1.488 25601 132 1 1 . 1 1 72 72 ARG H H 72 8.624 8.624 8.583 0.041 25601 133 1 1 . 1 1 73 73 LEU N N 73 124.467 124.467 120.110 4.357 25601 134 1 1 . 1 1 73 73 LEU H H 73 8.352 8.352 8.702 -0.350 25601 135 1 1 . 1 1 74 74 ARG N N 74 122.301 122.301 115.837 6.464 25601 136 1 1 . 1 1 74 74 ARG H H 74 8.487 8.487 8.078 0.409 25601 137 1 1 . 1 1 75 75 GLY N N 75 111.035 111.035 106.906 4.129 25601 138 1 1 . 1 1 75 75 GLY H H 75 8.568 8.568 7.997 0.571 25601 139 1 2 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 140 1 2 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 141 1 2 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 142 1 2 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 143 1 2 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 144 1 2 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 145 1 2 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 146 1 2 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 147 1 2 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 148 1 2 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 149 1 2 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 150 1 2 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 151 1 2 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 152 1 2 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 153 1 2 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 154 1 2 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 155 1 2 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 156 1 2 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 157 1 2 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 158 1 2 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 159 1 2 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 160 1 2 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 161 1 2 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 162 1 2 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 163 1 2 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 164 1 2 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 165 1 2 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 166 1 2 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 167 1 2 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 168 1 2 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 169 1 2 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 170 1 2 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 171 1 2 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 172 1 2 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 173 1 2 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 174 1 2 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 175 1 2 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 176 1 2 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 177 1 2 . 1 1 22 22 THR N N 22 109.090 109.090 112.418 -3.328 25601 178 1 2 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 179 1 2 . 1 1 23 23 ILE N N 23 121.455 121.455 121.980 -0.525 25601 180 1 2 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 181 1 2 . 1 1 25 25 CYS N N 25 121.510 121.510 118.059 3.451 25601 182 1 2 . 1 1 25 25 CYS H H 25 7.940 7.940 8.001 -0.061 25601 183 1 2 . 1 1 26 26 VAL N N 26 122.322 122.322 119.116 3.206 25601 184 1 2 . 1 1 26 26 VAL H H 26 8.123 8.123 7.964 0.159 25601 185 1 2 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 186 1 2 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 187 1 2 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 188 1 2 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 189 1 2 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 190 1 2 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 191 1 2 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 192 1 2 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 193 1 2 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 194 1 2 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 195 1 2 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 196 1 2 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 197 1 2 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 198 1 2 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 199 1 2 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 200 1 2 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 201 1 2 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 202 1 2 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 203 1 2 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 204 1 2 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 205 1 2 . 1 1 39 39 ASP N N 39 113.748 113.748 116.193 -2.445 25601 206 1 2 . 1 1 39 39 ASP H H 39 8.554 8.554 8.750 -0.196 25601 207 1 2 . 1 1 40 40 GLN N N 40 117.015 117.015 117.293 -0.278 25601 208 1 2 . 1 1 40 40 GLN H H 40 7.841 7.841 7.854 -0.013 25601 209 1 2 . 1 1 41 41 GLN N N 41 118.149 118.149 119.856 -1.707 25601 210 1 2 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 211 1 2 . 1 1 42 42 ARG N N 42 123.178 123.178 124.146 -0.968 25601 212 1 2 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 213 1 2 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 214 1 2 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 215 1 2 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 216 1 2 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 217 1 2 . 1 1 45 45 PHE N N 45 125.152 125.152 124.208 0.944 25601 218 1 2 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 219 1 2 . 1 1 46 46 ALA N N 46 112.473 112.473 127.224 -14.751 25601 220 1 2 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 221 1 2 . 1 1 47 47 GLY N N 47 123.105 123.105 104.198 18.907 25601 222 1 2 . 1 1 47 47 GLY H H 47 8.094 8.094 8.462 -0.368 25601 223 1 2 . 1 1 48 48 CYS N N 48 122.066 122.066 119.507 2.559 25601 224 1 2 . 1 1 48 48 CYS H H 48 8.001 8.001 7.961 0.040 25601 225 1 2 . 1 1 49 49 GLN N N 49 123.249 123.249 123.511 -0.262 25601 226 1 2 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 227 1 2 . 1 1 50 50 LEU N N 50 125.854 125.854 123.544 2.310 25601 228 1 2 . 1 1 50 50 LEU H H 50 8.576 8.576 8.574 0.002 25601 229 1 2 . 1 1 51 51 GLU N N 51 123.307 123.307 121.202 2.105 25601 230 1 2 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 231 1 2 . 1 1 52 52 ASP N N 52 120.548 120.548 125.152 -4.604 25601 232 1 2 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 233 1 2 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 234 1 2 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 235 1 2 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 236 1 2 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 237 1 2 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 238 1 2 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 239 1 2 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 240 1 2 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 241 1 2 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 242 1 2 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 243 1 2 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 244 1 2 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 245 1 2 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 246 1 2 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 247 1 2 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 248 1 2 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 249 1 2 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 250 1 2 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 251 1 2 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 252 1 2 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 253 1 2 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 254 1 2 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 255 1 2 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 256 1 2 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 257 1 2 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 258 1 2 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 259 1 2 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 260 1 2 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 261 1 2 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 262 1 2 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 263 1 2 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 264 1 2 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 265 1 2 . 1 1 70 70 VAL N N 70 127.016 127.016 121.547 5.469 25601 266 1 2 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 267 1 2 . 1 1 71 71 LEU N N 71 123.344 123.344 122.978 0.366 25601 268 1 2 . 1 1 71 71 LEU H H 71 8.116 8.116 8.389 -0.273 25601 269 1 2 . 1 1 72 72 ARG N N 72 123.792 123.792 123.113 0.679 25601 270 1 2 . 1 1 72 72 ARG H H 72 8.624 8.624 8.702 -0.078 25601 271 1 2 . 1 1 73 73 LEU N N 73 124.467 124.467 123.033 1.434 25601 272 1 2 . 1 1 73 73 LEU H H 73 8.352 8.352 8.655 -0.303 25601 273 1 2 . 1 1 74 74 ARG N N 74 122.301 122.301 114.425 7.876 25601 274 1 2 . 1 1 74 74 ARG H H 74 8.487 8.487 8.769 -0.282 25601 275 1 2 . 1 1 75 75 GLY N N 75 111.035 111.035 107.268 3.767 25601 276 1 2 . 1 1 75 75 GLY H H 75 8.568 8.568 7.769 0.799 25601 277 1 3 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 278 1 3 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 279 1 3 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 280 1 3 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 281 1 3 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 282 1 3 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 283 1 3 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 284 1 3 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 285 1 3 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 286 1 3 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 287 1 3 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 288 1 3 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 289 1 3 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 290 1 3 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 291 1 3 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 292 1 3 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 293 1 3 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 294 1 3 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 295 1 3 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 296 1 3 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 297 1 3 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 298 1 3 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 299 1 3 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 300 1 3 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 301 1 3 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 302 1 3 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 303 1 3 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 304 1 3 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 305 1 3 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 306 1 3 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 307 1 3 . 1 1 17 17 VAL N N 17 117.729 117.729 120.573 -2.844 25601 308 1 3 . 1 1 17 17 VAL H H 17 8.944 8.944 8.824 0.120 25601 309 1 3 . 1 1 18 18 GLU N N 18 119.594 119.594 120.368 -0.774 25601 310 1 3 . 1 1 18 18 GLU H H 18 8.700 8.700 8.250 0.450 25601 311 1 3 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 312 1 3 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 313 1 3 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 314 1 3 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 315 1 3 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 316 1 3 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 317 1 3 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 318 1 3 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 319 1 3 . 1 1 25 25 CYS N N 25 121.510 121.510 117.806 3.704 25601 320 1 3 . 1 1 25 25 CYS H H 25 7.940 7.940 7.893 0.047 25601 321 1 3 . 1 1 26 26 VAL N N 26 122.322 122.322 119.680 2.642 25601 322 1 3 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 323 1 3 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 324 1 3 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 325 1 3 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 326 1 3 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 327 1 3 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 328 1 3 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 329 1 3 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 330 1 3 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 331 1 3 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 332 1 3 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 333 1 3 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 334 1 3 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 335 1 3 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 336 1 3 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 337 1 3 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 338 1 3 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 339 1 3 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 340 1 3 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 341 1 3 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 342 1 3 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 343 1 3 . 1 1 39 39 ASP N N 39 113.748 113.748 116.065 -2.317 25601 344 1 3 . 1 1 39 39 ASP H H 39 8.554 8.554 8.659 -0.105 25601 345 1 3 . 1 1 40 40 GLN N N 40 117.015 117.015 117.406 -0.391 25601 346 1 3 . 1 1 40 40 GLN H H 40 7.841 7.841 7.819 0.022 25601 347 1 3 . 1 1 41 41 GLN N N 41 118.149 118.149 119.869 -1.720 25601 348 1 3 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 349 1 3 . 1 1 42 42 ARG N N 42 123.178 123.178 124.129 -0.951 25601 350 1 3 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 351 1 3 . 1 1 43 43 LEU N N 43 124.593 124.593 124.725 -0.132 25601 352 1 3 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 353 1 3 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 354 1 3 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 355 1 3 . 1 1 45 45 PHE N N 45 125.152 125.152 124.216 0.936 25601 356 1 3 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 357 1 3 . 1 1 46 46 ALA N N 46 112.473 112.473 127.231 -14.758 25601 358 1 3 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 359 1 3 . 1 1 47 47 GLY N N 47 123.105 123.105 104.232 18.873 25601 360 1 3 . 1 1 47 47 GLY H H 47 8.094 8.094 8.464 -0.370 25601 361 1 3 . 1 1 48 48 CYS N N 48 122.066 122.066 119.507 2.559 25601 362 1 3 . 1 1 48 48 CYS H H 48 8.001 8.001 7.962 0.039 25601 363 1 3 . 1 1 49 49 GLN N N 49 123.249 123.249 123.515 -0.266 25601 364 1 3 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 365 1 3 . 1 1 50 50 LEU N N 50 125.854 125.854 123.543 2.311 25601 366 1 3 . 1 1 50 50 LEU H H 50 8.576 8.576 8.574 0.002 25601 367 1 3 . 1 1 51 51 GLU N N 51 123.307 123.307 121.202 2.105 25601 368 1 3 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 369 1 3 . 1 1 52 52 ASP N N 52 120.548 120.548 125.152 -4.604 25601 370 1 3 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 371 1 3 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 372 1 3 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 373 1 3 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 374 1 3 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 375 1 3 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 376 1 3 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 377 1 3 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 378 1 3 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 379 1 3 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 380 1 3 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 381 1 3 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 382 1 3 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 383 1 3 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 384 1 3 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 385 1 3 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 386 1 3 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 387 1 3 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 388 1 3 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 389 1 3 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 390 1 3 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 391 1 3 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 392 1 3 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 393 1 3 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 394 1 3 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 395 1 3 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 396 1 3 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 397 1 3 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 398 1 3 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 399 1 3 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 400 1 3 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 401 1 3 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 402 1 3 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 403 1 3 . 1 1 70 70 VAL N N 70 127.016 127.016 121.539 5.477 25601 404 1 3 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 405 1 3 . 1 1 71 71 LEU N N 71 123.344 123.344 123.153 0.191 25601 406 1 3 . 1 1 71 71 LEU H H 71 8.116 8.116 8.337 -0.221 25601 407 1 3 . 1 1 72 72 ARG N N 72 123.792 123.792 123.303 0.489 25601 408 1 3 . 1 1 72 72 ARG H H 72 8.624 8.624 8.802 -0.178 25601 409 1 3 . 1 1 73 73 LEU N N 73 124.467 124.467 120.226 4.241 25601 410 1 3 . 1 1 73 73 LEU H H 73 8.352 8.352 8.251 0.101 25601 411 1 3 . 1 1 74 74 ARG N N 74 122.301 122.301 125.724 -3.423 25601 412 1 3 . 1 1 74 74 ARG H H 74 8.487 8.487 9.080 -0.593 25601 413 1 3 . 1 1 75 75 GLY N N 75 111.035 111.035 112.254 -1.219 25601 414 1 3 . 1 1 75 75 GLY H H 75 8.568 8.568 9.097 -0.529 25601 415 1 4 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 416 1 4 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 417 1 4 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 418 1 4 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 419 1 4 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 420 1 4 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 421 1 4 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 422 1 4 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 423 1 4 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 424 1 4 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 425 1 4 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 426 1 4 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 427 1 4 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 428 1 4 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 429 1 4 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 430 1 4 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 431 1 4 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 432 1 4 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 433 1 4 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 434 1 4 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 435 1 4 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 436 1 4 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 437 1 4 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 438 1 4 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 439 1 4 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 440 1 4 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 441 1 4 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 442 1 4 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 443 1 4 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 444 1 4 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 445 1 4 . 1 1 17 17 VAL N N 17 117.729 117.729 120.556 -2.827 25601 446 1 4 . 1 1 17 17 VAL H H 17 8.944 8.944 8.822 0.122 25601 447 1 4 . 1 1 18 18 GLU N N 18 119.594 119.594 120.408 -0.814 25601 448 1 4 . 1 1 18 18 GLU H H 18 8.700 8.700 8.242 0.458 25601 449 1 4 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 450 1 4 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 451 1 4 . 1 1 21 21 ASP N N 21 124.036 124.036 122.737 1.299 25601 452 1 4 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 453 1 4 . 1 1 22 22 THR N N 22 109.090 109.090 113.414 -4.324 25601 454 1 4 . 1 1 22 22 THR H H 22 7.886 7.886 8.324 -0.438 25601 455 1 4 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 456 1 4 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 457 1 4 . 1 1 25 25 CYS N N 25 121.510 121.510 117.819 3.691 25601 458 1 4 . 1 1 25 25 CYS H H 25 7.940 7.940 7.896 0.044 25601 459 1 4 . 1 1 26 26 VAL N N 26 122.322 122.322 119.642 2.680 25601 460 1 4 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 461 1 4 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 462 1 4 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 463 1 4 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 464 1 4 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 465 1 4 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 466 1 4 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 467 1 4 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 468 1 4 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 469 1 4 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 470 1 4 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 471 1 4 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 472 1 4 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 473 1 4 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 474 1 4 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 475 1 4 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 476 1 4 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 477 1 4 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 478 1 4 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 479 1 4 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 480 1 4 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 481 1 4 . 1 1 39 39 ASP N N 39 113.748 113.748 116.308 -2.560 25601 482 1 4 . 1 1 39 39 ASP H H 39 8.554 8.554 8.795 -0.241 25601 483 1 4 . 1 1 40 40 GLN N N 40 117.015 117.015 117.350 -0.335 25601 484 1 4 . 1 1 40 40 GLN H H 40 7.841 7.841 7.885 -0.044 25601 485 1 4 . 1 1 41 41 GLN N N 41 118.149 118.149 119.878 -1.729 25601 486 1 4 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 487 1 4 . 1 1 42 42 ARG N N 42 123.178 123.178 124.119 -0.941 25601 488 1 4 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 489 1 4 . 1 1 43 43 LEU N N 43 124.593 124.593 124.725 -0.132 25601 490 1 4 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 491 1 4 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 492 1 4 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 493 1 4 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 494 1 4 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 495 1 4 . 1 1 46 46 ALA N N 46 112.473 112.473 127.233 -14.760 25601 496 1 4 . 1 1 46 46 ALA H H 46 8.986 8.986 8.877 0.109 25601 497 1 4 . 1 1 47 47 GLY N N 47 123.105 123.105 104.242 18.863 25601 498 1 4 . 1 1 47 47 GLY H H 47 8.094 8.094 8.467 -0.373 25601 499 1 4 . 1 1 48 48 CYS N N 48 122.066 122.066 119.509 2.557 25601 500 1 4 . 1 1 48 48 CYS H H 48 8.001 8.001 7.961 0.040 25601 501 1 4 . 1 1 49 49 GLN N N 49 123.249 123.249 123.534 -0.285 25601 502 1 4 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 503 1 4 . 1 1 50 50 LEU N N 50 125.854 125.854 123.543 2.311 25601 504 1 4 . 1 1 50 50 LEU H H 50 8.576 8.576 8.574 0.002 25601 505 1 4 . 1 1 51 51 GLU N N 51 123.307 123.307 121.201 2.106 25601 506 1 4 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 507 1 4 . 1 1 52 52 ASP N N 52 120.548 120.548 123.537 -2.989 25601 508 1 4 . 1 1 52 52 ASP H H 52 8.166 8.166 8.753 -0.587 25601 509 1 4 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 510 1 4 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 511 1 4 . 1 1 55 55 THR N N 55 109.015 109.015 111.881 -2.866 25601 512 1 4 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 513 1 4 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 514 1 4 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 515 1 4 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 516 1 4 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 517 1 4 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 518 1 4 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 519 1 4 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 520 1 4 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 521 1 4 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 522 1 4 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 523 1 4 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 524 1 4 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 525 1 4 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 526 1 4 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 527 1 4 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 528 1 4 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 529 1 4 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 530 1 4 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 531 1 4 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 532 1 4 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 533 1 4 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 534 1 4 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 535 1 4 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 536 1 4 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 537 1 4 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 538 1 4 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 539 1 4 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 540 1 4 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 541 1 4 . 1 1 70 70 VAL N N 70 127.016 127.016 121.527 5.489 25601 542 1 4 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 543 1 4 . 1 1 71 71 LEU N N 71 123.344 123.344 122.813 0.531 25601 544 1 4 . 1 1 71 71 LEU H H 71 8.116 8.116 8.310 -0.194 25601 545 1 4 . 1 1 72 72 ARG N N 72 123.792 123.792 122.358 1.434 25601 546 1 4 . 1 1 72 72 ARG H H 72 8.624 8.624 8.332 0.292 25601 547 1 4 . 1 1 73 73 LEU N N 73 124.467 124.467 122.527 1.940 25601 548 1 4 . 1 1 73 73 LEU H H 73 8.352 8.352 8.202 0.150 25601 549 1 4 . 1 1 74 74 ARG N N 74 122.301 122.301 118.224 4.077 25601 550 1 4 . 1 1 74 74 ARG H H 74 8.487 8.487 8.204 0.283 25601 551 1 4 . 1 1 75 75 GLY N N 75 111.035 111.035 108.277 2.758 25601 552 1 4 . 1 1 75 75 GLY H H 75 8.568 8.568 8.327 0.241 25601 553 1 5 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 554 1 5 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 555 1 5 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 556 1 5 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 557 1 5 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 558 1 5 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 559 1 5 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 560 1 5 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 561 1 5 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 562 1 5 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 563 1 5 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 564 1 5 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 565 1 5 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 566 1 5 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 567 1 5 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 568 1 5 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 569 1 5 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 570 1 5 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 571 1 5 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 572 1 5 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 573 1 5 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 574 1 5 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 575 1 5 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 576 1 5 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 577 1 5 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 578 1 5 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 579 1 5 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 580 1 5 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 581 1 5 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 582 1 5 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 583 1 5 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 584 1 5 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 585 1 5 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 586 1 5 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 587 1 5 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 588 1 5 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 589 1 5 . 1 1 21 21 ASP N N 21 124.036 124.036 122.722 1.314 25601 590 1 5 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 591 1 5 . 1 1 22 22 THR N N 22 109.090 109.090 113.452 -4.362 25601 592 1 5 . 1 1 22 22 THR H H 22 7.886 7.886 8.322 -0.436 25601 593 1 5 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 594 1 5 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 595 1 5 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 596 1 5 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 597 1 5 . 1 1 26 26 VAL N N 26 122.322 122.322 119.088 3.234 25601 598 1 5 . 1 1 26 26 VAL H H 26 8.123 8.123 7.961 0.162 25601 599 1 5 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 600 1 5 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 601 1 5 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 602 1 5 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 603 1 5 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 604 1 5 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 605 1 5 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 606 1 5 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 607 1 5 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 608 1 5 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 609 1 5 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 610 1 5 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 611 1 5 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 612 1 5 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 613 1 5 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 614 1 5 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 615 1 5 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 616 1 5 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 617 1 5 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 618 1 5 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 619 1 5 . 1 1 39 39 ASP N N 39 113.748 113.748 116.200 -2.452 25601 620 1 5 . 1 1 39 39 ASP H H 39 8.554 8.554 8.703 -0.149 25601 621 1 5 . 1 1 40 40 GLN N N 40 117.015 117.015 117.428 -0.413 25601 622 1 5 . 1 1 40 40 GLN H H 40 7.841 7.841 7.833 0.008 25601 623 1 5 . 1 1 41 41 GLN N N 41 118.149 118.149 119.878 -1.729 25601 624 1 5 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 625 1 5 . 1 1 42 42 ARG N N 42 123.178 123.178 124.127 -0.949 25601 626 1 5 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 627 1 5 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 628 1 5 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 629 1 5 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 630 1 5 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 631 1 5 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 632 1 5 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 633 1 5 . 1 1 46 46 ALA N N 46 112.473 112.473 127.229 -14.756 25601 634 1 5 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 635 1 5 . 1 1 47 47 GLY N N 47 123.105 123.105 104.270 18.835 25601 636 1 5 . 1 1 47 47 GLY H H 47 8.094 8.094 8.413 -0.319 25601 637 1 5 . 1 1 48 48 CYS N N 48 122.066 122.066 119.685 2.381 25601 638 1 5 . 1 1 48 48 CYS H H 48 8.001 8.001 7.989 0.012 25601 639 1 5 . 1 1 49 49 GLN N N 49 123.249 123.249 121.995 1.254 25601 640 1 5 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 641 1 5 . 1 1 50 50 LEU N N 50 125.854 125.854 123.641 2.213 25601 642 1 5 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 643 1 5 . 1 1 51 51 GLU N N 51 123.307 123.307 121.191 2.116 25601 644 1 5 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 645 1 5 . 1 1 52 52 ASP N N 52 120.548 120.548 123.340 -2.792 25601 646 1 5 . 1 1 52 52 ASP H H 52 8.166 8.166 8.754 -0.588 25601 647 1 5 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 648 1 5 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 649 1 5 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 650 1 5 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 651 1 5 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 652 1 5 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 653 1 5 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 654 1 5 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 655 1 5 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 656 1 5 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 657 1 5 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 658 1 5 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 659 1 5 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 660 1 5 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 661 1 5 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 662 1 5 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 663 1 5 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 664 1 5 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 665 1 5 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 666 1 5 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 667 1 5 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 668 1 5 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 669 1 5 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 670 1 5 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 671 1 5 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 672 1 5 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 673 1 5 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 674 1 5 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 675 1 5 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 676 1 5 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 677 1 5 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 678 1 5 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 679 1 5 . 1 1 70 70 VAL N N 70 127.016 127.016 121.542 5.474 25601 680 1 5 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 681 1 5 . 1 1 71 71 LEU N N 71 123.344 123.344 122.680 0.664 25601 682 1 5 . 1 1 71 71 LEU H H 71 8.116 8.116 8.300 -0.184 25601 683 1 5 . 1 1 72 72 ARG N N 72 123.792 123.792 122.834 0.958 25601 684 1 5 . 1 1 72 72 ARG H H 72 8.624 8.624 8.763 -0.139 25601 685 1 5 . 1 1 73 73 LEU N N 73 124.467 124.467 117.598 6.869 25601 686 1 5 . 1 1 73 73 LEU H H 73 8.352 8.352 7.819 0.533 25601 687 1 5 . 1 1 74 74 ARG N N 74 122.301 122.301 122.307 -0.006 25601 688 1 5 . 1 1 74 74 ARG H H 74 8.487 8.487 8.632 -0.145 25601 689 1 5 . 1 1 75 75 GLY N N 75 111.035 111.035 107.185 3.850 25601 690 1 5 . 1 1 75 75 GLY H H 75 8.568 8.568 8.202 0.366 25601 691 1 6 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 692 1 6 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 693 1 6 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 694 1 6 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 695 1 6 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 696 1 6 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 697 1 6 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 698 1 6 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 699 1 6 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 700 1 6 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 701 1 6 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 702 1 6 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 703 1 6 . 1 1 8 8 LEU N N 8 121.449 121.449 118.603 2.846 25601 704 1 6 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 705 1 6 . 1 1 9 9 THR N N 9 126.497 126.497 111.332 15.165 25601 706 1 6 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 707 1 6 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 708 1 6 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 709 1 6 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 710 1 6 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 711 1 6 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 712 1 6 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 713 1 6 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 714 1 6 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 715 1 6 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 716 1 6 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 717 1 6 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 718 1 6 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 719 1 6 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 720 1 6 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 721 1 6 . 1 1 17 17 VAL N N 17 117.729 117.729 120.497 -2.768 25601 722 1 6 . 1 1 17 17 VAL H H 17 8.944 8.944 8.815 0.129 25601 723 1 6 . 1 1 18 18 GLU N N 18 119.594 119.594 120.544 -0.950 25601 724 1 6 . 1 1 18 18 GLU H H 18 8.700 8.700 8.215 0.485 25601 725 1 6 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 726 1 6 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 727 1 6 . 1 1 21 21 ASP N N 21 124.036 124.036 122.741 1.295 25601 728 1 6 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 729 1 6 . 1 1 22 22 THR N N 22 109.090 109.090 113.420 -4.330 25601 730 1 6 . 1 1 22 22 THR H H 22 7.886 7.886 8.325 -0.439 25601 731 1 6 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 732 1 6 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 733 1 6 . 1 1 25 25 CYS N N 25 121.510 121.510 117.860 3.650 25601 734 1 6 . 1 1 25 25 CYS H H 25 7.940 7.940 7.907 0.033 25601 735 1 6 . 1 1 26 26 VAL N N 26 122.322 122.322 119.518 2.804 25601 736 1 6 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 737 1 6 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 738 1 6 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 739 1 6 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 740 1 6 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 741 1 6 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 742 1 6 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 743 1 6 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 744 1 6 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 745 1 6 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 746 1 6 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 747 1 6 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 748 1 6 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 749 1 6 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 750 1 6 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 751 1 6 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 752 1 6 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 753 1 6 . 1 1 35 35 GLY N N 35 108.947 108.947 107.181 1.766 25601 754 1 6 . 1 1 35 35 GLY H H 35 8.502 8.502 8.186 0.316 25601 755 1 6 . 1 1 36 36 ILE N N 36 120.438 120.438 120.069 0.369 25601 756 1 6 . 1 1 36 36 ILE H H 36 6.186 6.186 7.632 -1.446 25601 757 1 6 . 1 1 39 39 ASP N N 39 113.748 113.748 116.370 -2.622 25601 758 1 6 . 1 1 39 39 ASP H H 39 8.554 8.554 8.794 -0.240 25601 759 1 6 . 1 1 40 40 GLN N N 40 117.015 117.015 117.374 -0.359 25601 760 1 6 . 1 1 40 40 GLN H H 40 7.841 7.841 7.885 -0.044 25601 761 1 6 . 1 1 41 41 GLN N N 41 118.149 118.149 119.875 -1.726 25601 762 1 6 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 763 1 6 . 1 1 42 42 ARG N N 42 123.178 123.178 124.137 -0.959 25601 764 1 6 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 765 1 6 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 766 1 6 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 767 1 6 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 768 1 6 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 769 1 6 . 1 1 45 45 PHE N N 45 125.152 125.152 124.214 0.938 25601 770 1 6 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 771 1 6 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 772 1 6 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 773 1 6 . 1 1 47 47 GLY N N 47 123.105 123.105 104.308 18.797 25601 774 1 6 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 775 1 6 . 1 1 48 48 CYS N N 48 122.066 122.066 119.709 2.357 25601 776 1 6 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 777 1 6 . 1 1 49 49 GLN N N 49 123.249 123.249 121.839 1.410 25601 778 1 6 . 1 1 49 49 GLN H H 49 8.641 8.641 8.587 0.054 25601 779 1 6 . 1 1 50 50 LEU N N 50 125.854 125.854 123.590 2.264 25601 780 1 6 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 781 1 6 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 782 1 6 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 783 1 6 . 1 1 52 52 ASP N N 52 120.548 120.548 123.321 -2.773 25601 784 1 6 . 1 1 52 52 ASP H H 52 8.166 8.166 8.738 -0.572 25601 785 1 6 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 786 1 6 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 787 1 6 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 788 1 6 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 789 1 6 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 790 1 6 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 791 1 6 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 792 1 6 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 793 1 6 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 794 1 6 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 795 1 6 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 796 1 6 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 797 1 6 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 798 1 6 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 799 1 6 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 800 1 6 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 801 1 6 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 802 1 6 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 803 1 6 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 804 1 6 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 805 1 6 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 806 1 6 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 807 1 6 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 808 1 6 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 809 1 6 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 810 1 6 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 811 1 6 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 812 1 6 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 813 1 6 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 814 1 6 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 815 1 6 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 816 1 6 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 817 1 6 . 1 1 70 70 VAL N N 70 127.016 127.016 121.536 5.480 25601 818 1 6 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 819 1 6 . 1 1 71 71 LEU N N 71 123.344 123.344 123.150 0.194 25601 820 1 6 . 1 1 71 71 LEU H H 71 8.116 8.116 8.277 -0.161 25601 821 1 6 . 1 1 72 72 ARG N N 72 123.792 123.792 122.484 1.308 25601 822 1 6 . 1 1 72 72 ARG H H 72 8.624 8.624 8.654 -0.030 25601 823 1 6 . 1 1 73 73 LEU N N 73 124.467 124.467 119.894 4.573 25601 824 1 6 . 1 1 73 73 LEU H H 73 8.352 8.352 8.349 0.003 25601 825 1 6 . 1 1 74 74 ARG N N 74 122.301 122.301 118.956 3.345 25601 826 1 6 . 1 1 74 74 ARG H H 74 8.487 8.487 8.582 -0.095 25601 827 1 6 . 1 1 75 75 GLY N N 75 111.035 111.035 106.470 4.565 25601 828 1 6 . 1 1 75 75 GLY H H 75 8.568 8.568 8.333 0.235 25601 829 1 7 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 830 1 7 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 831 1 7 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 832 1 7 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 833 1 7 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 834 1 7 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 835 1 7 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 836 1 7 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 837 1 7 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 838 1 7 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 839 1 7 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 840 1 7 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 841 1 7 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 842 1 7 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 843 1 7 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 844 1 7 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 845 1 7 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 846 1 7 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 847 1 7 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 848 1 7 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 849 1 7 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 850 1 7 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 851 1 7 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 852 1 7 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 853 1 7 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 854 1 7 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 855 1 7 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 856 1 7 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 857 1 7 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 858 1 7 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 859 1 7 . 1 1 17 17 VAL N N 17 117.729 117.729 120.576 -2.847 25601 860 1 7 . 1 1 17 17 VAL H H 17 8.944 8.944 8.824 0.120 25601 861 1 7 . 1 1 18 18 GLU N N 18 119.594 119.594 120.360 -0.766 25601 862 1 7 . 1 1 18 18 GLU H H 18 8.700 8.700 8.252 0.448 25601 863 1 7 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 864 1 7 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 865 1 7 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 866 1 7 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 867 1 7 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 868 1 7 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 869 1 7 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 870 1 7 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 871 1 7 . 1 1 25 25 CYS N N 25 121.510 121.510 117.803 3.707 25601 872 1 7 . 1 1 25 25 CYS H H 25 7.940 7.940 7.893 0.047 25601 873 1 7 . 1 1 26 26 VAL N N 26 122.322 122.322 119.687 2.635 25601 874 1 7 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 875 1 7 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 876 1 7 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 877 1 7 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 878 1 7 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 879 1 7 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 880 1 7 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 881 1 7 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 882 1 7 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 883 1 7 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 884 1 7 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 885 1 7 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 886 1 7 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 887 1 7 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 888 1 7 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 889 1 7 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 890 1 7 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 891 1 7 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 892 1 7 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 893 1 7 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 894 1 7 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 895 1 7 . 1 1 39 39 ASP N N 39 113.748 113.748 116.418 -2.670 25601 896 1 7 . 1 1 39 39 ASP H H 39 8.554 8.554 8.799 -0.245 25601 897 1 7 . 1 1 40 40 GLN N N 40 117.015 117.015 117.360 -0.345 25601 898 1 7 . 1 1 40 40 GLN H H 40 7.841 7.841 7.888 -0.047 25601 899 1 7 . 1 1 41 41 GLN N N 41 118.149 118.149 119.865 -1.716 25601 900 1 7 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 901 1 7 . 1 1 42 42 ARG N N 42 123.178 123.178 124.134 -0.956 25601 902 1 7 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 903 1 7 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 904 1 7 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 905 1 7 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 906 1 7 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 907 1 7 . 1 1 45 45 PHE N N 45 125.152 125.152 124.213 0.939 25601 908 1 7 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 909 1 7 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 910 1 7 . 1 1 46 46 ALA H H 46 8.986 8.986 8.873 0.113 25601 911 1 7 . 1 1 47 47 GLY N N 47 123.105 123.105 104.383 18.722 25601 912 1 7 . 1 1 47 47 GLY H H 47 8.094 8.094 8.422 -0.328 25601 913 1 7 . 1 1 48 48 CYS N N 48 122.066 122.066 119.720 2.346 25601 914 1 7 . 1 1 48 48 CYS H H 48 8.001 8.001 7.976 0.025 25601 915 1 7 . 1 1 49 49 GLN N N 49 123.249 123.249 121.567 1.682 25601 916 1 7 . 1 1 49 49 GLN H H 49 8.641 8.641 8.590 0.051 25601 917 1 7 . 1 1 50 50 LEU N N 50 125.854 125.854 123.577 2.277 25601 918 1 7 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 919 1 7 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 920 1 7 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 921 1 7 . 1 1 52 52 ASP N N 52 120.548 120.548 125.147 -4.599 25601 922 1 7 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 923 1 7 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 924 1 7 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 925 1 7 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 926 1 7 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 927 1 7 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 928 1 7 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 929 1 7 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 930 1 7 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 931 1 7 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 932 1 7 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 933 1 7 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 934 1 7 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 935 1 7 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 936 1 7 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 937 1 7 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 938 1 7 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 939 1 7 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 940 1 7 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 941 1 7 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 942 1 7 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 943 1 7 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 944 1 7 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 945 1 7 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 946 1 7 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 947 1 7 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 948 1 7 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 949 1 7 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 950 1 7 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 951 1 7 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 952 1 7 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 953 1 7 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 954 1 7 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 955 1 7 . 1 1 70 70 VAL N N 70 127.016 127.016 121.542 5.474 25601 956 1 7 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 957 1 7 . 1 1 71 71 LEU N N 71 123.344 123.344 122.694 0.650 25601 958 1 7 . 1 1 71 71 LEU H H 71 8.116 8.116 8.336 -0.220 25601 959 1 7 . 1 1 72 72 ARG N N 72 123.792 123.792 123.801 -0.009 25601 960 1 7 . 1 1 72 72 ARG H H 72 8.624 8.624 8.702 -0.078 25601 961 1 7 . 1 1 73 73 LEU N N 73 124.467 124.467 116.833 7.634 25601 962 1 7 . 1 1 73 73 LEU H H 73 8.352 8.352 7.998 0.354 25601 963 1 7 . 1 1 74 74 ARG N N 74 122.301 122.301 122.734 -0.433 25601 964 1 7 . 1 1 74 74 ARG H H 74 8.487 8.487 8.576 -0.089 25601 965 1 7 . 1 1 75 75 GLY N N 75 111.035 111.035 110.620 0.415 25601 966 1 7 . 1 1 75 75 GLY H H 75 8.568 8.568 9.146 -0.578 25601 967 1 8 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 968 1 8 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 969 1 8 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 970 1 8 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 971 1 8 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 972 1 8 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 973 1 8 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 974 1 8 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 975 1 8 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 976 1 8 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 977 1 8 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 978 1 8 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 979 1 8 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 980 1 8 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 981 1 8 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 982 1 8 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 983 1 8 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 984 1 8 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 985 1 8 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 986 1 8 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 987 1 8 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 988 1 8 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 989 1 8 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 990 1 8 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 991 1 8 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 992 1 8 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 993 1 8 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 994 1 8 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 995 1 8 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 996 1 8 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 997 1 8 . 1 1 17 17 VAL N N 17 117.729 117.729 120.574 -2.845 25601 998 1 8 . 1 1 17 17 VAL H H 17 8.944 8.944 8.824 0.120 25601 999 1 8 . 1 1 18 18 GLU N N 18 119.594 119.594 120.365 -0.771 25601 1000 1 8 . 1 1 18 18 GLU H H 18 8.700 8.700 8.251 0.449 25601 1001 1 8 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 1002 1 8 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1003 1 8 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 1004 1 8 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 1005 1 8 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 1006 1 8 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 1007 1 8 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 1008 1 8 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1009 1 8 . 1 1 25 25 CYS N N 25 121.510 121.510 117.805 3.705 25601 1010 1 8 . 1 1 25 25 CYS H H 25 7.940 7.940 7.893 0.047 25601 1011 1 8 . 1 1 26 26 VAL N N 26 122.322 122.322 119.682 2.640 25601 1012 1 8 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 1013 1 8 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1014 1 8 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1015 1 8 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1016 1 8 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1017 1 8 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1018 1 8 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1019 1 8 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1020 1 8 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1021 1 8 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1022 1 8 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1023 1 8 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1024 1 8 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1025 1 8 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1026 1 8 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1027 1 8 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1028 1 8 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1029 1 8 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 1030 1 8 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1031 1 8 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1032 1 8 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1033 1 8 . 1 1 39 39 ASP N N 39 113.748 113.748 116.258 -2.510 25601 1034 1 8 . 1 1 39 39 ASP H H 39 8.554 8.554 8.764 -0.210 25601 1035 1 8 . 1 1 40 40 GLN N N 40 117.015 117.015 117.319 -0.304 25601 1036 1 8 . 1 1 40 40 GLN H H 40 7.841 7.841 7.862 -0.021 25601 1037 1 8 . 1 1 41 41 GLN N N 41 118.149 118.149 119.856 -1.707 25601 1038 1 8 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 1039 1 8 . 1 1 42 42 ARG N N 42 123.178 123.178 124.141 -0.963 25601 1040 1 8 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 1041 1 8 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 1042 1 8 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 1043 1 8 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 1044 1 8 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 1045 1 8 . 1 1 45 45 PHE N N 45 125.152 125.152 124.191 0.961 25601 1046 1 8 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 1047 1 8 . 1 1 46 46 ALA N N 46 112.473 112.473 127.203 -14.730 25601 1048 1 8 . 1 1 46 46 ALA H H 46 8.986 8.986 8.860 0.126 25601 1049 1 8 . 1 1 47 47 GLY N N 47 123.105 123.105 104.107 18.998 25601 1050 1 8 . 1 1 47 47 GLY H H 47 8.094 8.094 8.423 -0.329 25601 1051 1 8 . 1 1 48 48 CYS N N 48 122.066 122.066 119.531 2.535 25601 1052 1 8 . 1 1 48 48 CYS H H 48 8.001 8.001 7.984 0.017 25601 1053 1 8 . 1 1 49 49 GLN N N 49 123.249 123.249 122.851 0.398 25601 1054 1 8 . 1 1 49 49 GLN H H 49 8.641 8.641 8.583 0.058 25601 1055 1 8 . 1 1 50 50 LEU N N 50 125.854 125.854 123.633 2.221 25601 1056 1 8 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 1057 1 8 . 1 1 51 51 GLU N N 51 123.307 123.307 121.192 2.115 25601 1058 1 8 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 1059 1 8 . 1 1 52 52 ASP N N 52 120.548 120.548 123.448 -2.900 25601 1060 1 8 . 1 1 52 52 ASP H H 52 8.166 8.166 8.746 -0.580 25601 1061 1 8 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1062 1 8 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1063 1 8 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 1064 1 8 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1065 1 8 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1066 1 8 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1067 1 8 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1068 1 8 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1069 1 8 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1070 1 8 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1071 1 8 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 1072 1 8 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1073 1 8 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1074 1 8 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1075 1 8 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1076 1 8 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1077 1 8 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1078 1 8 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1079 1 8 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1080 1 8 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1081 1 8 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1082 1 8 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1083 1 8 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1084 1 8 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1085 1 8 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1086 1 8 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1087 1 8 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1088 1 8 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1089 1 8 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1090 1 8 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1091 1 8 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 1092 1 8 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1093 1 8 . 1 1 70 70 VAL N N 70 127.016 127.016 121.550 5.466 25601 1094 1 8 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 1095 1 8 . 1 1 71 71 LEU N N 71 123.344 123.344 122.904 0.440 25601 1096 1 8 . 1 1 71 71 LEU H H 71 8.116 8.116 8.354 -0.238 25601 1097 1 8 . 1 1 72 72 ARG N N 72 123.792 123.792 122.919 0.873 25601 1098 1 8 . 1 1 72 72 ARG H H 72 8.624 8.624 8.819 -0.195 25601 1099 1 8 . 1 1 73 73 LEU N N 73 124.467 124.467 117.502 6.965 25601 1100 1 8 . 1 1 73 73 LEU H H 73 8.352 8.352 8.183 0.169 25601 1101 1 8 . 1 1 74 74 ARG N N 74 122.301 122.301 118.337 3.964 25601 1102 1 8 . 1 1 74 74 ARG H H 74 8.487 8.487 8.085 0.402 25601 1103 1 8 . 1 1 75 75 GLY N N 75 111.035 111.035 108.356 2.679 25601 1104 1 8 . 1 1 75 75 GLY H H 75 8.568 8.568 8.061 0.507 25601 1105 1 9 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1106 1 9 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1107 1 9 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1108 1 9 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1109 1 9 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1110 1 9 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1111 1 9 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1112 1 9 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1113 1 9 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1114 1 9 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1115 1 9 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1116 1 9 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1117 1 9 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1118 1 9 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1119 1 9 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1120 1 9 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1121 1 9 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1122 1 9 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1123 1 9 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1124 1 9 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1125 1 9 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1126 1 9 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1127 1 9 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1128 1 9 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1129 1 9 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1130 1 9 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1131 1 9 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1132 1 9 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1133 1 9 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1134 1 9 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1135 1 9 . 1 1 17 17 VAL N N 17 117.729 117.729 120.235 -2.506 25601 1136 1 9 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 1137 1 9 . 1 1 18 18 GLU N N 18 119.594 119.594 120.109 -0.515 25601 1138 1 9 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 1139 1 9 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 1140 1 9 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1141 1 9 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 1142 1 9 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 1143 1 9 . 1 1 22 22 THR N N 22 109.090 109.090 112.420 -3.330 25601 1144 1 9 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 1145 1 9 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 1146 1 9 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1147 1 9 . 1 1 25 25 CYS N N 25 121.510 121.510 118.033 3.477 25601 1148 1 9 . 1 1 25 25 CYS H H 25 7.940 7.940 8.001 -0.061 25601 1149 1 9 . 1 1 26 26 VAL N N 26 122.322 122.322 118.996 3.326 25601 1150 1 9 . 1 1 26 26 VAL H H 26 8.123 8.123 7.946 0.177 25601 1151 1 9 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1152 1 9 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1153 1 9 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1154 1 9 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1155 1 9 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1156 1 9 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1157 1 9 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1158 1 9 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1159 1 9 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1160 1 9 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1161 1 9 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1162 1 9 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1163 1 9 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1164 1 9 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1165 1 9 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1166 1 9 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1167 1 9 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 1168 1 9 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1169 1 9 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1170 1 9 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1171 1 9 . 1 1 39 39 ASP N N 39 113.748 113.748 116.860 -3.112 25601 1172 1 9 . 1 1 39 39 ASP H H 39 8.554 8.554 8.875 -0.321 25601 1173 1 9 . 1 1 40 40 GLN N N 40 117.015 117.015 117.487 -0.472 25601 1174 1 9 . 1 1 40 40 GLN H H 40 7.841 7.841 7.970 -0.129 25601 1175 1 9 . 1 1 41 41 GLN N N 41 118.149 118.149 119.695 -1.546 25601 1176 1 9 . 1 1 41 41 GLN H H 41 7.494 7.494 7.476 0.018 25601 1177 1 9 . 1 1 42 42 ARG N N 42 123.178 123.178 123.723 -0.545 25601 1178 1 9 . 1 1 42 42 ARG H H 42 8.514 8.514 8.626 -0.112 25601 1179 1 9 . 1 1 43 43 LEU N N 43 124.593 124.593 124.725 -0.132 25601 1180 1 9 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 1181 1 9 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 1182 1 9 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 1183 1 9 . 1 1 45 45 PHE N N 45 125.152 125.152 124.210 0.942 25601 1184 1 9 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 1185 1 9 . 1 1 46 46 ALA N N 46 112.473 112.473 127.223 -14.750 25601 1186 1 9 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 1187 1 9 . 1 1 47 47 GLY N N 47 123.105 123.105 104.174 18.931 25601 1188 1 9 . 1 1 47 47 GLY H H 47 8.094 8.094 8.426 -0.332 25601 1189 1 9 . 1 1 48 48 CYS N N 48 122.066 122.066 119.530 2.536 25601 1190 1 9 . 1 1 48 48 CYS H H 48 8.001 8.001 7.985 0.016 25601 1191 1 9 . 1 1 49 49 GLN N N 49 123.249 123.249 122.853 0.396 25601 1192 1 9 . 1 1 49 49 GLN H H 49 8.641 8.641 8.582 0.059 25601 1193 1 9 . 1 1 50 50 LEU N N 50 125.854 125.854 123.630 2.224 25601 1194 1 9 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 1195 1 9 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 1196 1 9 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 1197 1 9 . 1 1 52 52 ASP N N 52 120.548 120.548 123.443 -2.895 25601 1198 1 9 . 1 1 52 52 ASP H H 52 8.166 8.166 8.742 -0.576 25601 1199 1 9 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1200 1 9 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1201 1 9 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 1202 1 9 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1203 1 9 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1204 1 9 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1205 1 9 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1206 1 9 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1207 1 9 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1208 1 9 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1209 1 9 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 1210 1 9 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1211 1 9 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1212 1 9 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1213 1 9 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1214 1 9 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1215 1 9 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1216 1 9 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1217 1 9 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1218 1 9 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1219 1 9 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1220 1 9 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1221 1 9 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1222 1 9 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1223 1 9 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1224 1 9 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1225 1 9 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1226 1 9 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1227 1 9 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1228 1 9 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1229 1 9 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 1230 1 9 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1231 1 9 . 1 1 70 70 VAL N N 70 127.016 127.016 121.544 5.472 25601 1232 1 9 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 1233 1 9 . 1 1 71 71 LEU N N 71 123.344 123.344 122.881 0.463 25601 1234 1 9 . 1 1 71 71 LEU H H 71 8.116 8.116 8.173 -0.057 25601 1235 1 9 . 1 1 72 72 ARG N N 72 123.792 123.792 122.403 1.389 25601 1236 1 9 . 1 1 72 72 ARG H H 72 8.624 8.624 8.783 -0.159 25601 1237 1 9 . 1 1 73 73 LEU N N 73 124.467 124.467 116.974 7.493 25601 1238 1 9 . 1 1 73 73 LEU H H 73 8.352 8.352 7.694 0.658 25601 1239 1 9 . 1 1 74 74 ARG N N 74 122.301 122.301 118.655 3.646 25601 1240 1 9 . 1 1 74 74 ARG H H 74 8.487 8.487 8.827 -0.340 25601 1241 1 9 . 1 1 75 75 GLY N N 75 111.035 111.035 109.576 1.459 25601 1242 1 9 . 1 1 75 75 GLY H H 75 8.568 8.568 8.273 0.295 25601 1243 1 10 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1244 1 10 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1245 1 10 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1246 1 10 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1247 1 10 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1248 1 10 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1249 1 10 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1250 1 10 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1251 1 10 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1252 1 10 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1253 1 10 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1254 1 10 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1255 1 10 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1256 1 10 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1257 1 10 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1258 1 10 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1259 1 10 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1260 1 10 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1261 1 10 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1262 1 10 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1263 1 10 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1264 1 10 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1265 1 10 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1266 1 10 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1267 1 10 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1268 1 10 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1269 1 10 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1270 1 10 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1271 1 10 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1272 1 10 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1273 1 10 . 1 1 17 17 VAL N N 17 117.729 117.729 120.569 -2.840 25601 1274 1 10 . 1 1 17 17 VAL H H 17 8.944 8.944 8.823 0.121 25601 1275 1 10 . 1 1 18 18 GLU N N 18 119.594 119.594 120.378 -0.784 25601 1276 1 10 . 1 1 18 18 GLU H H 18 8.700 8.700 8.248 0.452 25601 1277 1 10 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 1278 1 10 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1279 1 10 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 1280 1 10 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 1281 1 10 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 1282 1 10 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 1283 1 10 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 1284 1 10 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1285 1 10 . 1 1 25 25 CYS N N 25 121.510 121.510 118.059 3.451 25601 1286 1 10 . 1 1 25 25 CYS H H 25 7.940 7.940 8.001 -0.061 25601 1287 1 10 . 1 1 26 26 VAL N N 26 122.322 122.322 119.118 3.204 25601 1288 1 10 . 1 1 26 26 VAL H H 26 8.123 8.123 7.964 0.159 25601 1289 1 10 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1290 1 10 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1291 1 10 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1292 1 10 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1293 1 10 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1294 1 10 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1295 1 10 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1296 1 10 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1297 1 10 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1298 1 10 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1299 1 10 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1300 1 10 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1301 1 10 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1302 1 10 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1303 1 10 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1304 1 10 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1305 1 10 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 1306 1 10 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1307 1 10 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1308 1 10 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1309 1 10 . 1 1 39 39 ASP N N 39 113.748 113.748 116.045 -2.297 25601 1310 1 10 . 1 1 39 39 ASP H H 39 8.554 8.554 8.773 -0.219 25601 1311 1 10 . 1 1 40 40 GLN N N 40 117.015 117.015 117.367 -0.352 25601 1312 1 10 . 1 1 40 40 GLN H H 40 7.841 7.841 7.873 -0.032 25601 1313 1 10 . 1 1 41 41 GLN N N 41 118.149 118.149 119.893 -1.744 25601 1314 1 10 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 1315 1 10 . 1 1 42 42 ARG N N 42 123.178 123.178 124.113 -0.935 25601 1316 1 10 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 1317 1 10 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 1318 1 10 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 1319 1 10 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 1320 1 10 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 1321 1 10 . 1 1 45 45 PHE N N 45 125.152 125.152 124.225 0.927 25601 1322 1 10 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 1323 1 10 . 1 1 46 46 ALA N N 46 112.473 112.473 127.239 -14.766 25601 1324 1 10 . 1 1 46 46 ALA H H 46 8.986 8.986 8.880 0.106 25601 1325 1 10 . 1 1 47 47 GLY N N 47 123.105 123.105 104.268 18.837 25601 1326 1 10 . 1 1 47 47 GLY H H 47 8.094 8.094 8.470 -0.376 25601 1327 1 10 . 1 1 48 48 CYS N N 48 122.066 122.066 119.511 2.555 25601 1328 1 10 . 1 1 48 48 CYS H H 48 8.001 8.001 7.960 0.041 25601 1329 1 10 . 1 1 49 49 GLN N N 49 123.249 123.249 123.551 -0.302 25601 1330 1 10 . 1 1 49 49 GLN H H 49 8.641 8.641 8.579 0.062 25601 1331 1 10 . 1 1 50 50 LEU N N 50 125.854 125.854 123.565 2.289 25601 1332 1 10 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 1333 1 10 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 1334 1 10 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 1335 1 10 . 1 1 52 52 ASP N N 52 120.548 120.548 123.331 -2.783 25601 1336 1 10 . 1 1 52 52 ASP H H 52 8.166 8.166 8.737 -0.571 25601 1337 1 10 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1338 1 10 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1339 1 10 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 1340 1 10 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1341 1 10 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1342 1 10 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1343 1 10 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1344 1 10 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1345 1 10 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1346 1 10 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1347 1 10 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 1348 1 10 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1349 1 10 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1350 1 10 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1351 1 10 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1352 1 10 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1353 1 10 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1354 1 10 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1355 1 10 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1356 1 10 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1357 1 10 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1358 1 10 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1359 1 10 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1360 1 10 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1361 1 10 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1362 1 10 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1363 1 10 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1364 1 10 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1365 1 10 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1366 1 10 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1367 1 10 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 1368 1 10 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1369 1 10 . 1 1 70 70 VAL N N 70 127.016 127.016 121.530 5.486 25601 1370 1 10 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 1371 1 10 . 1 1 71 71 LEU N N 71 123.344 123.344 122.716 0.628 25601 1372 1 10 . 1 1 71 71 LEU H H 71 8.116 8.116 8.299 -0.183 25601 1373 1 10 . 1 1 72 72 ARG N N 72 123.792 123.792 123.091 0.701 25601 1374 1 10 . 1 1 72 72 ARG H H 72 8.624 8.624 8.869 -0.245 25601 1375 1 10 . 1 1 73 73 LEU N N 73 124.467 124.467 116.668 7.799 25601 1376 1 10 . 1 1 73 73 LEU H H 73 8.352 8.352 8.255 0.097 25601 1377 1 10 . 1 1 74 74 ARG N N 74 122.301 122.301 124.686 -2.385 25601 1378 1 10 . 1 1 74 74 ARG H H 74 8.487 8.487 8.505 -0.018 25601 1379 1 10 . 1 1 75 75 GLY N N 75 111.035 111.035 111.266 -0.231 25601 1380 1 10 . 1 1 75 75 GLY H H 75 8.568 8.568 8.640 -0.072 25601 1381 1 11 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1382 1 11 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1383 1 11 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1384 1 11 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1385 1 11 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1386 1 11 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1387 1 11 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1388 1 11 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1389 1 11 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1390 1 11 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1391 1 11 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1392 1 11 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1393 1 11 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1394 1 11 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1395 1 11 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1396 1 11 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1397 1 11 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1398 1 11 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1399 1 11 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1400 1 11 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1401 1 11 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1402 1 11 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1403 1 11 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1404 1 11 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1405 1 11 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1406 1 11 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1407 1 11 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1408 1 11 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1409 1 11 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1410 1 11 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1411 1 11 . 1 1 17 17 VAL N N 17 117.729 117.729 120.568 -2.839 25601 1412 1 11 . 1 1 17 17 VAL H H 17 8.944 8.944 8.823 0.121 25601 1413 1 11 . 1 1 18 18 GLU N N 18 119.594 119.594 120.381 -0.787 25601 1414 1 11 . 1 1 18 18 GLU H H 18 8.700 8.700 8.248 0.452 25601 1415 1 11 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 1416 1 11 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1417 1 11 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 1418 1 11 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 1419 1 11 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 1420 1 11 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 1421 1 11 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 1422 1 11 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1423 1 11 . 1 1 25 25 CYS N N 25 121.510 121.510 117.811 3.699 25601 1424 1 11 . 1 1 25 25 CYS H H 25 7.940 7.940 7.894 0.046 25601 1425 1 11 . 1 1 26 26 VAL N N 26 122.322 122.322 119.667 2.655 25601 1426 1 11 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 1427 1 11 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1428 1 11 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1429 1 11 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1430 1 11 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1431 1 11 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1432 1 11 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1433 1 11 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1434 1 11 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1435 1 11 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1436 1 11 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1437 1 11 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1438 1 11 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1439 1 11 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1440 1 11 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1441 1 11 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1442 1 11 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1443 1 11 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 1444 1 11 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1445 1 11 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1446 1 11 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1447 1 11 . 1 1 39 39 ASP N N 39 113.748 113.748 116.280 -2.532 25601 1448 1 11 . 1 1 39 39 ASP H H 39 8.554 8.554 8.778 -0.224 25601 1449 1 11 . 1 1 40 40 GLN N N 40 117.015 117.015 117.350 -0.335 25601 1450 1 11 . 1 1 40 40 GLN H H 40 7.841 7.841 7.873 -0.032 25601 1451 1 11 . 1 1 41 41 GLN N N 41 118.149 118.149 119.868 -1.719 25601 1452 1 11 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 1453 1 11 . 1 1 42 42 ARG N N 42 123.178 123.178 124.125 -0.947 25601 1454 1 11 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 1455 1 11 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 1456 1 11 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 1457 1 11 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 1458 1 11 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 1459 1 11 . 1 1 45 45 PHE N N 45 125.152 125.152 124.209 0.943 25601 1460 1 11 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 1461 1 11 . 1 1 46 46 ALA N N 46 112.473 112.473 127.223 -14.750 25601 1462 1 11 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 1463 1 11 . 1 1 47 47 GLY N N 47 123.105 123.105 104.254 18.851 25601 1464 1 11 . 1 1 47 47 GLY H H 47 8.094 8.094 8.413 -0.319 25601 1465 1 11 . 1 1 48 48 CYS N N 48 122.066 122.066 119.680 2.386 25601 1466 1 11 . 1 1 48 48 CYS H H 48 8.001 8.001 7.989 0.012 25601 1467 1 11 . 1 1 49 49 GLN N N 49 123.249 123.249 122.013 1.236 25601 1468 1 11 . 1 1 49 49 GLN H H 49 8.641 8.641 8.586 0.055 25601 1469 1 11 . 1 1 50 50 LEU N N 50 125.854 125.854 123.595 2.259 25601 1470 1 11 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 1471 1 11 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 1472 1 11 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 1473 1 11 . 1 1 52 52 ASP N N 52 120.548 120.548 125.145 -4.597 25601 1474 1 11 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 1475 1 11 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1476 1 11 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1477 1 11 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 1478 1 11 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1479 1 11 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1480 1 11 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1481 1 11 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1482 1 11 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1483 1 11 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1484 1 11 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1485 1 11 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 1486 1 11 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1487 1 11 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1488 1 11 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1489 1 11 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1490 1 11 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1491 1 11 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1492 1 11 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1493 1 11 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1494 1 11 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1495 1 11 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1496 1 11 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1497 1 11 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1498 1 11 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1499 1 11 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1500 1 11 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1501 1 11 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1502 1 11 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1503 1 11 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1504 1 11 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1505 1 11 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 1506 1 11 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1507 1 11 . 1 1 70 70 VAL N N 70 127.016 127.016 121.541 5.475 25601 1508 1 11 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 1509 1 11 . 1 1 71 71 LEU N N 71 123.344 123.344 122.865 0.479 25601 1510 1 11 . 1 1 71 71 LEU H H 71 8.116 8.116 8.288 -0.172 25601 1511 1 11 . 1 1 72 72 ARG N N 72 123.792 123.792 123.054 0.738 25601 1512 1 11 . 1 1 72 72 ARG H H 72 8.624 8.624 8.674 -0.050 25601 1513 1 11 . 1 1 73 73 LEU N N 73 124.467 124.467 122.593 1.874 25601 1514 1 11 . 1 1 73 73 LEU H H 73 8.352 8.352 8.578 -0.226 25601 1515 1 11 . 1 1 74 74 ARG N N 74 122.301 122.301 124.657 -2.356 25601 1516 1 11 . 1 1 74 74 ARG H H 74 8.487 8.487 8.614 -0.127 25601 1517 1 11 . 1 1 75 75 GLY N N 75 111.035 111.035 109.448 1.587 25601 1518 1 11 . 1 1 75 75 GLY H H 75 8.568 8.568 8.110 0.458 25601 1519 1 12 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1520 1 12 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1521 1 12 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1522 1 12 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1523 1 12 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1524 1 12 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1525 1 12 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1526 1 12 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1527 1 12 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1528 1 12 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1529 1 12 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1530 1 12 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1531 1 12 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1532 1 12 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1533 1 12 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1534 1 12 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1535 1 12 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1536 1 12 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1537 1 12 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1538 1 12 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1539 1 12 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1540 1 12 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1541 1 12 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1542 1 12 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1543 1 12 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1544 1 12 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1545 1 12 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1546 1 12 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1547 1 12 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1548 1 12 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1549 1 12 . 1 1 17 17 VAL N N 17 117.729 117.729 120.558 -2.829 25601 1550 1 12 . 1 1 17 17 VAL H H 17 8.944 8.944 8.822 0.122 25601 1551 1 12 . 1 1 18 18 GLU N N 18 119.594 119.594 120.404 -0.810 25601 1552 1 12 . 1 1 18 18 GLU H H 18 8.700 8.700 8.243 0.457 25601 1553 1 12 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 1554 1 12 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1555 1 12 . 1 1 21 21 ASP N N 21 124.036 124.036 122.758 1.278 25601 1556 1 12 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.233 25601 1557 1 12 . 1 1 22 22 THR N N 22 109.090 109.090 113.388 -4.298 25601 1558 1 12 . 1 1 22 22 THR H H 22 7.886 7.886 8.321 -0.435 25601 1559 1 12 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 1560 1 12 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1561 1 12 . 1 1 25 25 CYS N N 25 121.510 121.510 118.052 3.458 25601 1562 1 12 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 1563 1 12 . 1 1 26 26 VAL N N 26 122.322 122.322 119.035 3.287 25601 1564 1 12 . 1 1 26 26 VAL H H 26 8.123 8.123 7.953 0.170 25601 1565 1 12 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1566 1 12 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1567 1 12 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1568 1 12 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1569 1 12 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1570 1 12 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1571 1 12 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1572 1 12 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1573 1 12 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1574 1 12 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1575 1 12 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1576 1 12 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1577 1 12 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1578 1 12 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1579 1 12 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1580 1 12 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1581 1 12 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 1582 1 12 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1583 1 12 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1584 1 12 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1585 1 12 . 1 1 39 39 ASP N N 39 113.748 113.748 116.529 -2.781 25601 1586 1 12 . 1 1 39 39 ASP H H 39 8.554 8.554 8.861 -0.307 25601 1587 1 12 . 1 1 40 40 GLN N N 40 117.015 117.015 117.366 -0.351 25601 1588 1 12 . 1 1 40 40 GLN H H 40 7.841 7.841 7.940 -0.099 25601 1589 1 12 . 1 1 41 41 GLN N N 41 118.149 118.149 119.848 -1.699 25601 1590 1 12 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 1591 1 12 . 1 1 42 42 ARG N N 42 123.178 123.178 124.093 -0.915 25601 1592 1 12 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 1593 1 12 . 1 1 43 43 LEU N N 43 124.593 124.593 124.734 -0.141 25601 1594 1 12 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 1595 1 12 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 1596 1 12 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 1597 1 12 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 1598 1 12 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 1599 1 12 . 1 1 46 46 ALA N N 46 112.473 112.473 127.231 -14.758 25601 1600 1 12 . 1 1 46 46 ALA H H 46 8.986 8.986 8.874 0.112 25601 1601 1 12 . 1 1 47 47 GLY N N 47 123.105 123.105 104.291 18.814 25601 1602 1 12 . 1 1 47 47 GLY H H 47 8.094 8.094 8.414 -0.320 25601 1603 1 12 . 1 1 48 48 CYS N N 48 122.066 122.066 119.686 2.380 25601 1604 1 12 . 1 1 48 48 CYS H H 48 8.001 8.001 7.990 0.011 25601 1605 1 12 . 1 1 49 49 GLN N N 49 123.249 123.249 121.984 1.265 25601 1606 1 12 . 1 1 49 49 GLN H H 49 8.641 8.641 8.586 0.055 25601 1607 1 12 . 1 1 50 50 LEU N N 50 125.854 125.854 123.602 2.252 25601 1608 1 12 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 1609 1 12 . 1 1 51 51 GLU N N 51 123.307 123.307 121.196 2.111 25601 1610 1 12 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 1611 1 12 . 1 1 52 52 ASP N N 52 120.548 120.548 125.144 -4.596 25601 1612 1 12 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 1613 1 12 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1614 1 12 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1615 1 12 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 1616 1 12 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1617 1 12 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1618 1 12 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1619 1 12 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1620 1 12 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1621 1 12 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1622 1 12 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1623 1 12 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 1624 1 12 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1625 1 12 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1626 1 12 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1627 1 12 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1628 1 12 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1629 1 12 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1630 1 12 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1631 1 12 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1632 1 12 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1633 1 12 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1634 1 12 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1635 1 12 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1636 1 12 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1637 1 12 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1638 1 12 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1639 1 12 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1640 1 12 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1641 1 12 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1642 1 12 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1643 1 12 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 1644 1 12 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1645 1 12 . 1 1 70 70 VAL N N 70 127.016 127.016 121.543 5.473 25601 1646 1 12 . 1 1 70 70 VAL H H 70 9.197 9.197 8.862 0.335 25601 1647 1 12 . 1 1 71 71 LEU N N 71 123.344 123.344 123.830 -0.486 25601 1648 1 12 . 1 1 71 71 LEU H H 71 8.116 8.116 8.380 -0.264 25601 1649 1 12 . 1 1 72 72 ARG N N 72 123.792 123.792 121.152 2.640 25601 1650 1 12 . 1 1 72 72 ARG H H 72 8.624 8.624 8.658 -0.034 25601 1651 1 12 . 1 1 73 73 LEU N N 73 124.467 124.467 116.878 7.589 25601 1652 1 12 . 1 1 73 73 LEU H H 73 8.352 8.352 8.365 -0.013 25601 1653 1 12 . 1 1 74 74 ARG N N 74 122.301 122.301 118.955 3.346 25601 1654 1 12 . 1 1 74 74 ARG H H 74 8.487 8.487 8.093 0.394 25601 1655 1 12 . 1 1 75 75 GLY N N 75 111.035 111.035 108.385 2.650 25601 1656 1 12 . 1 1 75 75 GLY H H 75 8.568 8.568 8.194 0.374 25601 1657 1 13 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1658 1 13 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1659 1 13 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1660 1 13 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1661 1 13 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1662 1 13 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1663 1 13 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1664 1 13 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1665 1 13 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1666 1 13 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1667 1 13 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1668 1 13 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1669 1 13 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1670 1 13 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1671 1 13 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1672 1 13 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1673 1 13 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1674 1 13 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1675 1 13 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1676 1 13 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1677 1 13 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1678 1 13 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1679 1 13 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1680 1 13 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1681 1 13 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1682 1 13 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1683 1 13 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1684 1 13 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1685 1 13 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1686 1 13 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1687 1 13 . 1 1 17 17 VAL N N 17 117.729 117.729 120.549 -2.820 25601 1688 1 13 . 1 1 17 17 VAL H H 17 8.944 8.944 8.821 0.123 25601 1689 1 13 . 1 1 18 18 GLU N N 18 119.594 119.594 120.424 -0.830 25601 1690 1 13 . 1 1 18 18 GLU H H 18 8.700 8.700 8.239 0.461 25601 1691 1 13 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 1692 1 13 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1693 1 13 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 1694 1 13 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 1695 1 13 . 1 1 22 22 THR N N 22 109.090 109.090 112.417 -3.327 25601 1696 1 13 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 1697 1 13 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 1698 1 13 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1699 1 13 . 1 1 25 25 CYS N N 25 121.510 121.510 117.825 3.685 25601 1700 1 13 . 1 1 25 25 CYS H H 25 7.940 7.940 7.898 0.042 25601 1701 1 13 . 1 1 26 26 VAL N N 26 122.322 122.322 119.627 2.695 25601 1702 1 13 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 1703 1 13 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1704 1 13 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1705 1 13 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1706 1 13 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1707 1 13 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1708 1 13 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1709 1 13 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1710 1 13 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1711 1 13 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1712 1 13 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1713 1 13 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1714 1 13 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1715 1 13 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1716 1 13 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1717 1 13 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1718 1 13 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1719 1 13 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 1720 1 13 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1721 1 13 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1722 1 13 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1723 1 13 . 1 1 39 39 ASP N N 39 113.748 113.748 115.969 -2.221 25601 1724 1 13 . 1 1 39 39 ASP H H 39 8.554 8.554 8.728 -0.174 25601 1725 1 13 . 1 1 40 40 GLN N N 40 117.015 117.015 117.399 -0.384 25601 1726 1 13 . 1 1 40 40 GLN H H 40 7.841 7.841 7.854 -0.013 25601 1727 1 13 . 1 1 41 41 GLN N N 41 118.149 118.149 119.877 -1.728 25601 1728 1 13 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 1729 1 13 . 1 1 42 42 ARG N N 42 123.178 123.178 124.147 -0.969 25601 1730 1 13 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 1731 1 13 . 1 1 43 43 LEU N N 43 124.593 124.593 124.718 -0.125 25601 1732 1 13 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 1733 1 13 . 1 1 44 44 ILE N N 44 122.637 122.637 121.398 1.239 25601 1734 1 13 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 1735 1 13 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 1736 1 13 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 1737 1 13 . 1 1 46 46 ALA N N 46 112.473 112.473 127.231 -14.758 25601 1738 1 13 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 1739 1 13 . 1 1 47 47 GLY N N 47 123.105 123.105 104.349 18.756 25601 1740 1 13 . 1 1 47 47 GLY H H 47 8.094 8.094 8.418 -0.324 25601 1741 1 13 . 1 1 48 48 CYS N N 48 122.066 122.066 119.715 2.351 25601 1742 1 13 . 1 1 48 48 CYS H H 48 8.001 8.001 7.986 0.015 25601 1743 1 13 . 1 1 49 49 GLN N N 49 123.249 123.249 121.786 1.463 25601 1744 1 13 . 1 1 49 49 GLN H H 49 8.641 8.641 8.586 0.055 25601 1745 1 13 . 1 1 50 50 LEU N N 50 125.854 125.854 123.533 2.321 25601 1746 1 13 . 1 1 50 50 LEU H H 50 8.576 8.576 8.575 0.001 25601 1747 1 13 . 1 1 51 51 GLU N N 51 123.307 123.307 121.202 2.105 25601 1748 1 13 . 1 1 51 51 GLU H H 51 8.391 8.391 8.328 0.063 25601 1749 1 13 . 1 1 52 52 ASP N N 52 120.548 120.548 125.154 -4.606 25601 1750 1 13 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 1751 1 13 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1752 1 13 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1753 1 13 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 1754 1 13 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1755 1 13 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1756 1 13 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1757 1 13 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1758 1 13 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1759 1 13 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1760 1 13 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1761 1 13 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 1762 1 13 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1763 1 13 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1764 1 13 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1765 1 13 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1766 1 13 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1767 1 13 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1768 1 13 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1769 1 13 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1770 1 13 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1771 1 13 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1772 1 13 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1773 1 13 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1774 1 13 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1775 1 13 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1776 1 13 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1777 1 13 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1778 1 13 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1779 1 13 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1780 1 13 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1781 1 13 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 1782 1 13 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1783 1 13 . 1 1 70 70 VAL N N 70 127.016 127.016 121.529 5.487 25601 1784 1 13 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 1785 1 13 . 1 1 71 71 LEU N N 71 123.344 123.344 123.068 0.276 25601 1786 1 13 . 1 1 71 71 LEU H H 71 8.116 8.116 8.353 -0.237 25601 1787 1 13 . 1 1 72 72 ARG N N 72 123.792 123.792 124.039 -0.247 25601 1788 1 13 . 1 1 72 72 ARG H H 72 8.624 8.624 8.706 -0.082 25601 1789 1 13 . 1 1 73 73 LEU N N 73 124.467 124.467 123.205 1.262 25601 1790 1 13 . 1 1 73 73 LEU H H 73 8.352 8.352 8.300 0.052 25601 1791 1 13 . 1 1 74 74 ARG N N 74 122.301 122.301 120.466 1.835 25601 1792 1 13 . 1 1 74 74 ARG H H 74 8.487 8.487 8.184 0.303 25601 1793 1 13 . 1 1 75 75 GLY N N 75 111.035 111.035 107.880 3.155 25601 1794 1 13 . 1 1 75 75 GLY H H 75 8.568 8.568 8.333 0.235 25601 1795 1 14 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1796 1 14 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1797 1 14 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1798 1 14 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1799 1 14 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1800 1 14 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1801 1 14 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1802 1 14 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1803 1 14 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1804 1 14 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1805 1 14 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1806 1 14 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1807 1 14 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1808 1 14 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1809 1 14 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1810 1 14 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1811 1 14 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1812 1 14 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1813 1 14 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1814 1 14 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1815 1 14 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1816 1 14 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1817 1 14 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1818 1 14 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1819 1 14 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1820 1 14 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1821 1 14 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1822 1 14 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1823 1 14 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1824 1 14 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1825 1 14 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 1826 1 14 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 1827 1 14 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 1828 1 14 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 1829 1 14 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 1830 1 14 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1831 1 14 . 1 1 21 21 ASP N N 21 124.036 124.036 123.532 0.504 25601 1832 1 14 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 1833 1 14 . 1 1 22 22 THR N N 22 109.090 109.090 112.409 -3.319 25601 1834 1 14 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 1835 1 14 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 1836 1 14 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1837 1 14 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 1838 1 14 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 1839 1 14 . 1 1 26 26 VAL N N 26 122.322 122.322 119.089 3.233 25601 1840 1 14 . 1 1 26 26 VAL H H 26 8.123 8.123 7.961 0.162 25601 1841 1 14 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 1842 1 14 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1843 1 14 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 1844 1 14 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1845 1 14 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 1846 1 14 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1847 1 14 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 1848 1 14 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1849 1 14 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1850 1 14 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1851 1 14 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1852 1 14 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1853 1 14 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1854 1 14 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1855 1 14 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1856 1 14 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1857 1 14 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 1858 1 14 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1859 1 14 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1860 1 14 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1861 1 14 . 1 1 39 39 ASP N N 39 113.748 113.748 116.074 -2.326 25601 1862 1 14 . 1 1 39 39 ASP H H 39 8.554 8.554 8.746 -0.192 25601 1863 1 14 . 1 1 40 40 GLN N N 40 117.015 117.015 117.331 -0.316 25601 1864 1 14 . 1 1 40 40 GLN H H 40 7.841 7.841 7.852 -0.011 25601 1865 1 14 . 1 1 41 41 GLN N N 41 118.149 118.149 119.849 -1.700 25601 1866 1 14 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 1867 1 14 . 1 1 42 42 ARG N N 42 123.178 123.178 124.136 -0.958 25601 1868 1 14 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 1869 1 14 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 1870 1 14 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 1871 1 14 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 1872 1 14 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 1873 1 14 . 1 1 45 45 PHE N N 45 125.152 125.152 124.205 0.947 25601 1874 1 14 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 1875 1 14 . 1 1 46 46 ALA N N 46 112.473 112.473 127.220 -14.747 25601 1876 1 14 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 1877 1 14 . 1 1 47 47 GLY N N 47 123.105 123.105 104.179 18.926 25601 1878 1 14 . 1 1 47 47 GLY H H 47 8.094 8.094 8.463 -0.369 25601 1879 1 14 . 1 1 48 48 CYS N N 48 122.066 122.066 119.510 2.556 25601 1880 1 14 . 1 1 48 48 CYS H H 48 8.001 8.001 7.960 0.041 25601 1881 1 14 . 1 1 49 49 GLN N N 49 123.249 123.249 123.528 -0.279 25601 1882 1 14 . 1 1 49 49 GLN H H 49 8.641 8.641 8.579 0.062 25601 1883 1 14 . 1 1 50 50 LEU N N 50 125.854 125.854 123.559 2.295 25601 1884 1 14 . 1 1 50 50 LEU H H 50 8.576 8.576 8.573 0.003 25601 1885 1 14 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 1886 1 14 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 1887 1 14 . 1 1 52 52 ASP N N 52 120.548 120.548 123.304 -2.756 25601 1888 1 14 . 1 1 52 52 ASP H H 52 8.166 8.166 8.717 -0.551 25601 1889 1 14 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 1890 1 14 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 1891 1 14 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 1892 1 14 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 1893 1 14 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 1894 1 14 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 1895 1 14 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 1896 1 14 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 1897 1 14 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 1898 1 14 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 1899 1 14 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 1900 1 14 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 1901 1 14 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 1902 1 14 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 1903 1 14 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 1904 1 14 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 1905 1 14 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 1906 1 14 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 1907 1 14 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 1908 1 14 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 1909 1 14 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 1910 1 14 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 1911 1 14 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 1912 1 14 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 1913 1 14 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 1914 1 14 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 1915 1 14 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 1916 1 14 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 1917 1 14 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 1918 1 14 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 1919 1 14 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 1920 1 14 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 1921 1 14 . 1 1 70 70 VAL N N 70 127.016 127.016 121.546 5.470 25601 1922 1 14 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 1923 1 14 . 1 1 71 71 LEU N N 71 123.344 123.344 123.146 0.198 25601 1924 1 14 . 1 1 71 71 LEU H H 71 8.116 8.116 8.379 -0.263 25601 1925 1 14 . 1 1 72 72 ARG N N 72 123.792 123.792 122.760 1.032 25601 1926 1 14 . 1 1 72 72 ARG H H 72 8.624 8.624 8.569 0.055 25601 1927 1 14 . 1 1 73 73 LEU N N 73 124.467 124.467 120.531 3.936 25601 1928 1 14 . 1 1 73 73 LEU H H 73 8.352 8.352 8.419 -0.067 25601 1929 1 14 . 1 1 74 74 ARG N N 74 122.301 122.301 121.086 1.215 25601 1930 1 14 . 1 1 74 74 ARG H H 74 8.487 8.487 8.406 0.081 25601 1931 1 14 . 1 1 75 75 GLY N N 75 111.035 111.035 109.649 1.386 25601 1932 1 14 . 1 1 75 75 GLY H H 75 8.568 8.568 8.419 0.149 25601 1933 1 15 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 1934 1 15 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 1935 1 15 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 1936 1 15 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 1937 1 15 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 1938 1 15 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 1939 1 15 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 1940 1 15 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 1941 1 15 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 1942 1 15 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 1943 1 15 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 1944 1 15 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 1945 1 15 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 1946 1 15 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 1947 1 15 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 1948 1 15 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 1949 1 15 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 1950 1 15 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 1951 1 15 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 1952 1 15 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 1953 1 15 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 1954 1 15 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 1955 1 15 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 1956 1 15 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 1957 1 15 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 1958 1 15 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 1959 1 15 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 1960 1 15 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 1961 1 15 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 1962 1 15 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 1963 1 15 . 1 1 17 17 VAL N N 17 117.729 117.729 120.515 -2.786 25601 1964 1 15 . 1 1 17 17 VAL H H 17 8.944 8.944 8.817 0.127 25601 1965 1 15 . 1 1 18 18 GLU N N 18 119.594 119.594 120.504 -0.910 25601 1966 1 15 . 1 1 18 18 GLU H H 18 8.700 8.700 8.223 0.477 25601 1967 1 15 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 1968 1 15 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 1969 1 15 . 1 1 21 21 ASP N N 21 124.036 124.036 122.740 1.296 25601 1970 1 15 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 1971 1 15 . 1 1 22 22 THR N N 22 109.090 109.090 113.420 -4.330 25601 1972 1 15 . 1 1 22 22 THR H H 22 7.886 7.886 8.325 -0.439 25601 1973 1 15 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 1974 1 15 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 1975 1 15 . 1 1 25 25 CYS N N 25 121.510 121.510 117.849 3.661 25601 1976 1 15 . 1 1 25 25 CYS H H 25 7.940 7.940 7.903 0.037 25601 1977 1 15 . 1 1 26 26 VAL N N 26 122.322 122.322 119.554 2.768 25601 1978 1 15 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 1979 1 15 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 1980 1 15 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 1981 1 15 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 1982 1 15 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 1983 1 15 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 1984 1 15 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 1985 1 15 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 1986 1 15 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 1987 1 15 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 1988 1 15 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 1989 1 15 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 1990 1 15 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 1991 1 15 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 1992 1 15 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 1993 1 15 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 1994 1 15 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 1995 1 15 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 1996 1 15 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 1997 1 15 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 1998 1 15 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 1999 1 15 . 1 1 39 39 ASP N N 39 113.748 113.748 116.042 -2.294 25601 2000 1 15 . 1 1 39 39 ASP H H 39 8.554 8.554 8.709 -0.155 25601 2001 1 15 . 1 1 40 40 GLN N N 40 117.015 117.015 117.266 -0.251 25601 2002 1 15 . 1 1 40 40 GLN H H 40 7.841 7.841 7.831 0.010 25601 2003 1 15 . 1 1 41 41 GLN N N 41 118.149 118.149 119.836 -1.687 25601 2004 1 15 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 2005 1 15 . 1 1 42 42 ARG N N 42 123.178 123.178 124.130 -0.952 25601 2006 1 15 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 2007 1 15 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 2008 1 15 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 2009 1 15 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 2010 1 15 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 2011 1 15 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 2012 1 15 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2013 1 15 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 2014 1 15 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 2015 1 15 . 1 1 47 47 GLY N N 47 123.105 123.105 104.285 18.820 25601 2016 1 15 . 1 1 47 47 GLY H H 47 8.094 8.094 8.414 -0.320 25601 2017 1 15 . 1 1 48 48 CYS N N 48 122.066 122.066 119.700 2.366 25601 2018 1 15 . 1 1 48 48 CYS H H 48 8.001 8.001 7.988 0.013 25601 2019 1 15 . 1 1 49 49 GLN N N 49 123.249 123.249 121.907 1.342 25601 2020 1 15 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 2021 1 15 . 1 1 50 50 LEU N N 50 125.854 125.854 123.633 2.221 25601 2022 1 15 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 2023 1 15 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 2024 1 15 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 2025 1 15 . 1 1 52 52 ASP N N 52 120.548 120.548 125.140 -4.592 25601 2026 1 15 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 2027 1 15 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 2028 1 15 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2029 1 15 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2030 1 15 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2031 1 15 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2032 1 15 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2033 1 15 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2034 1 15 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2035 1 15 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2036 1 15 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2037 1 15 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 2038 1 15 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2039 1 15 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2040 1 15 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2041 1 15 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2042 1 15 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2043 1 15 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2044 1 15 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2045 1 15 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2046 1 15 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2047 1 15 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2048 1 15 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2049 1 15 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2050 1 15 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2051 1 15 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2052 1 15 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2053 1 15 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2054 1 15 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2055 1 15 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2056 1 15 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2057 1 15 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 2058 1 15 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2059 1 15 . 1 1 70 70 VAL N N 70 127.016 127.016 121.547 5.469 25601 2060 1 15 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 2061 1 15 . 1 1 71 71 LEU N N 71 123.344 123.344 123.011 0.333 25601 2062 1 15 . 1 1 71 71 LEU H H 71 8.116 8.116 8.385 -0.269 25601 2063 1 15 . 1 1 72 72 ARG N N 72 123.792 123.792 123.440 0.352 25601 2064 1 15 . 1 1 72 72 ARG H H 72 8.624 8.624 8.694 -0.070 25601 2065 1 15 . 1 1 73 73 LEU N N 73 124.467 124.467 122.480 1.987 25601 2066 1 15 . 1 1 73 73 LEU H H 73 8.352 8.352 8.553 -0.201 25601 2067 1 15 . 1 1 74 74 ARG N N 74 122.301 122.301 123.046 -0.745 25601 2068 1 15 . 1 1 74 74 ARG H H 74 8.487 8.487 8.465 0.022 25601 2069 1 15 . 1 1 75 75 GLY N N 75 111.035 111.035 108.365 2.670 25601 2070 1 15 . 1 1 75 75 GLY H H 75 8.568 8.568 8.289 0.279 25601 2071 1 16 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2072 1 16 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2073 1 16 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2074 1 16 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2075 1 16 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2076 1 16 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2077 1 16 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2078 1 16 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2079 1 16 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2080 1 16 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2081 1 16 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2082 1 16 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2083 1 16 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 2084 1 16 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2085 1 16 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 2086 1 16 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2087 1 16 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2088 1 16 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2089 1 16 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2090 1 16 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2091 1 16 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2092 1 16 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2093 1 16 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2094 1 16 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2095 1 16 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2096 1 16 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2097 1 16 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2098 1 16 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2099 1 16 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2100 1 16 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2101 1 16 . 1 1 17 17 VAL N N 17 117.729 117.729 120.527 -2.798 25601 2102 1 16 . 1 1 17 17 VAL H H 17 8.944 8.944 8.819 0.125 25601 2103 1 16 . 1 1 18 18 GLU N N 18 119.594 119.594 120.477 -0.883 25601 2104 1 16 . 1 1 18 18 GLU H H 18 8.700 8.700 8.228 0.472 25601 2105 1 16 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 2106 1 16 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2107 1 16 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 2108 1 16 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 2109 1 16 . 1 1 22 22 THR N N 22 109.090 109.090 112.418 -3.328 25601 2110 1 16 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 2111 1 16 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 2112 1 16 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2113 1 16 . 1 1 25 25 CYS N N 25 121.510 121.510 117.842 3.668 25601 2114 1 16 . 1 1 25 25 CYS H H 25 7.940 7.940 7.902 0.038 25601 2115 1 16 . 1 1 26 26 VAL N N 26 122.322 122.322 119.578 2.744 25601 2116 1 16 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 2117 1 16 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 2118 1 16 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2119 1 16 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 2120 1 16 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2121 1 16 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 2122 1 16 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2123 1 16 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 2124 1 16 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2125 1 16 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2126 1 16 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2127 1 16 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2128 1 16 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2129 1 16 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2130 1 16 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2131 1 16 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 2132 1 16 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 2133 1 16 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 2134 1 16 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 2135 1 16 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 2136 1 16 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 2137 1 16 . 1 1 39 39 ASP N N 39 113.748 113.748 116.187 -2.439 25601 2138 1 16 . 1 1 39 39 ASP H H 39 8.554 8.554 8.801 -0.247 25601 2139 1 16 . 1 1 40 40 GLN N N 40 117.015 117.015 117.412 -0.397 25601 2140 1 16 . 1 1 40 40 GLN H H 40 7.841 7.841 7.880 -0.039 25601 2141 1 16 . 1 1 41 41 GLN N N 41 118.149 118.149 119.847 -1.698 25601 2142 1 16 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 2143 1 16 . 1 1 42 42 ARG N N 42 123.178 123.178 124.154 -0.976 25601 2144 1 16 . 1 1 42 42 ARG H H 42 8.514 8.514 8.627 -0.113 25601 2145 1 16 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 2146 1 16 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 2147 1 16 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 2148 1 16 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 2149 1 16 . 1 1 45 45 PHE N N 45 125.152 125.152 124.196 0.956 25601 2150 1 16 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 2151 1 16 . 1 1 46 46 ALA N N 46 112.473 112.473 127.208 -14.735 25601 2152 1 16 . 1 1 46 46 ALA H H 46 8.986 8.986 8.862 0.124 25601 2153 1 16 . 1 1 47 47 GLY N N 47 123.105 123.105 104.417 18.688 25601 2154 1 16 . 1 1 47 47 GLY H H 47 8.094 8.094 8.439 -0.345 25601 2155 1 16 . 1 1 48 48 CYS N N 48 122.066 122.066 119.591 2.475 25601 2156 1 16 . 1 1 48 48 CYS H H 48 8.001 8.001 7.950 0.051 25601 2157 1 16 . 1 1 49 49 GLN N N 49 123.249 123.249 121.312 1.937 25601 2158 1 16 . 1 1 49 49 GLN H H 49 8.641 8.641 8.596 0.045 25601 2159 1 16 . 1 1 50 50 LEU N N 50 125.854 125.854 123.632 2.222 25601 2160 1 16 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 2161 1 16 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 2162 1 16 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 2163 1 16 . 1 1 52 52 ASP N N 52 120.548 120.548 125.141 -4.593 25601 2164 1 16 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 2165 1 16 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 2166 1 16 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2167 1 16 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 2168 1 16 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2169 1 16 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2170 1 16 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2171 1 16 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2172 1 16 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2173 1 16 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2174 1 16 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2175 1 16 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 2176 1 16 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2177 1 16 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2178 1 16 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2179 1 16 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2180 1 16 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2181 1 16 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2182 1 16 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2183 1 16 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2184 1 16 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2185 1 16 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2186 1 16 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2187 1 16 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2188 1 16 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2189 1 16 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2190 1 16 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2191 1 16 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2192 1 16 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2193 1 16 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2194 1 16 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2195 1 16 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 2196 1 16 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2197 1 16 . 1 1 70 70 VAL N N 70 127.016 127.016 121.556 5.460 25601 2198 1 16 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 2199 1 16 . 1 1 71 71 LEU N N 71 123.344 123.344 123.150 0.194 25601 2200 1 16 . 1 1 71 71 LEU H H 71 8.116 8.116 8.400 -0.284 25601 2201 1 16 . 1 1 72 72 ARG N N 72 123.792 123.792 122.008 1.784 25601 2202 1 16 . 1 1 72 72 ARG H H 72 8.624 8.624 8.756 -0.132 25601 2203 1 16 . 1 1 73 73 LEU N N 73 124.467 124.467 119.686 4.781 25601 2204 1 16 . 1 1 73 73 LEU H H 73 8.352 8.352 8.721 -0.369 25601 2205 1 16 . 1 1 74 74 ARG N N 74 122.301 122.301 122.865 -0.564 25601 2206 1 16 . 1 1 74 74 ARG H H 74 8.487 8.487 8.770 -0.283 25601 2207 1 16 . 1 1 75 75 GLY N N 75 111.035 111.035 106.209 4.826 25601 2208 1 16 . 1 1 75 75 GLY H H 75 8.568 8.568 7.867 0.701 25601 2209 1 17 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2210 1 17 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2211 1 17 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2212 1 17 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2213 1 17 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2214 1 17 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2215 1 17 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2216 1 17 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2217 1 17 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2218 1 17 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2219 1 17 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2220 1 17 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2221 1 17 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 2222 1 17 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2223 1 17 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 2224 1 17 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2225 1 17 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2226 1 17 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2227 1 17 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2228 1 17 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2229 1 17 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2230 1 17 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2231 1 17 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2232 1 17 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2233 1 17 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2234 1 17 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2235 1 17 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2236 1 17 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2237 1 17 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2238 1 17 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2239 1 17 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 2240 1 17 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 2241 1 17 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 2242 1 17 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 2243 1 17 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 2244 1 17 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2245 1 17 . 1 1 21 21 ASP N N 21 124.036 124.036 122.747 1.289 25601 2246 1 17 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 2247 1 17 . 1 1 22 22 THR N N 22 109.090 109.090 113.416 -4.326 25601 2248 1 17 . 1 1 22 22 THR H H 22 7.886 7.886 8.324 -0.438 25601 2249 1 17 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 2250 1 17 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2251 1 17 . 1 1 25 25 CYS N N 25 121.510 121.510 117.967 3.543 25601 2252 1 17 . 1 1 25 25 CYS H H 25 7.940 7.940 7.977 -0.037 25601 2253 1 17 . 1 1 26 26 VAL N N 26 122.322 122.322 118.988 3.334 25601 2254 1 17 . 1 1 26 26 VAL H H 26 8.123 8.123 7.929 0.194 25601 2255 1 17 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 2256 1 17 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2257 1 17 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 2258 1 17 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2259 1 17 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 2260 1 17 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2261 1 17 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 2262 1 17 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2263 1 17 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2264 1 17 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2265 1 17 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2266 1 17 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2267 1 17 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2268 1 17 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2269 1 17 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 2270 1 17 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 2271 1 17 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 2272 1 17 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 2273 1 17 . 1 1 36 36 ILE N N 36 120.438 120.438 121.681 -1.243 25601 2274 1 17 . 1 1 36 36 ILE H H 36 6.186 6.186 7.610 -1.424 25601 2275 1 17 . 1 1 39 39 ASP N N 39 113.748 113.748 116.614 -2.866 25601 2276 1 17 . 1 1 39 39 ASP H H 39 8.554 8.554 8.852 -0.298 25601 2277 1 17 . 1 1 40 40 GLN N N 40 117.015 117.015 117.440 -0.425 25601 2278 1 17 . 1 1 40 40 GLN H H 40 7.841 7.841 7.932 -0.091 25601 2279 1 17 . 1 1 41 41 GLN N N 41 118.149 118.149 119.854 -1.705 25601 2280 1 17 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 2281 1 17 . 1 1 42 42 ARG N N 42 123.178 123.178 124.126 -0.948 25601 2282 1 17 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 2283 1 17 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 2284 1 17 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 2285 1 17 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 2286 1 17 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 2287 1 17 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 2288 1 17 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2289 1 17 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 2290 1 17 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 2291 1 17 . 1 1 47 47 GLY N N 47 123.105 123.105 104.333 18.772 25601 2292 1 17 . 1 1 47 47 GLY H H 47 8.094 8.094 8.417 -0.323 25601 2293 1 17 . 1 1 48 48 CYS N N 48 122.066 122.066 119.724 2.342 25601 2294 1 17 . 1 1 48 48 CYS H H 48 8.001 8.001 7.982 0.019 25601 2295 1 17 . 1 1 49 49 GLN N N 49 123.249 123.249 121.695 1.554 25601 2296 1 17 . 1 1 49 49 GLN H H 49 8.641 8.641 8.591 0.050 25601 2297 1 17 . 1 1 50 50 LEU N N 50 125.854 125.854 123.629 2.225 25601 2298 1 17 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 2299 1 17 . 1 1 51 51 GLU N N 51 123.307 123.307 121.191 2.116 25601 2300 1 17 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 2301 1 17 . 1 1 52 52 ASP N N 52 120.548 120.548 123.730 -3.182 25601 2302 1 17 . 1 1 52 52 ASP H H 52 8.166 8.166 8.768 -0.602 25601 2303 1 17 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 2304 1 17 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2305 1 17 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2306 1 17 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2307 1 17 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2308 1 17 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2309 1 17 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2310 1 17 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2311 1 17 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2312 1 17 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2313 1 17 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 2314 1 17 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2315 1 17 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2316 1 17 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2317 1 17 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2318 1 17 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2319 1 17 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2320 1 17 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2321 1 17 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2322 1 17 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2323 1 17 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2324 1 17 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2325 1 17 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2326 1 17 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2327 1 17 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2328 1 17 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2329 1 17 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2330 1 17 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2331 1 17 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2332 1 17 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2333 1 17 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 2334 1 17 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2335 1 17 . 1 1 70 70 VAL N N 70 127.016 127.016 121.551 5.465 25601 2336 1 17 . 1 1 70 70 VAL H H 70 9.197 9.197 8.861 0.336 25601 2337 1 17 . 1 1 71 71 LEU N N 71 123.344 123.344 123.213 0.131 25601 2338 1 17 . 1 1 71 71 LEU H H 71 8.116 8.116 8.376 -0.260 25601 2339 1 17 . 1 1 72 72 ARG N N 72 123.792 123.792 122.047 1.745 25601 2340 1 17 . 1 1 72 72 ARG H H 72 8.624 8.624 8.691 -0.067 25601 2341 1 17 . 1 1 73 73 LEU N N 73 124.467 124.467 117.555 6.912 25601 2342 1 17 . 1 1 73 73 LEU H H 73 8.352 8.352 8.513 -0.161 25601 2343 1 17 . 1 1 74 74 ARG N N 74 122.301 122.301 121.984 0.317 25601 2344 1 17 . 1 1 74 74 ARG H H 74 8.487 8.487 8.726 -0.239 25601 2345 1 17 . 1 1 75 75 GLY N N 75 111.035 111.035 106.953 4.082 25601 2346 1 17 . 1 1 75 75 GLY H H 75 8.568 8.568 7.977 0.591 25601 2347 1 18 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2348 1 18 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2349 1 18 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2350 1 18 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2351 1 18 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2352 1 18 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2353 1 18 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2354 1 18 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2355 1 18 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2356 1 18 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2357 1 18 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2358 1 18 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2359 1 18 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 2360 1 18 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2361 1 18 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 2362 1 18 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2363 1 18 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2364 1 18 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2365 1 18 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2366 1 18 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2367 1 18 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2368 1 18 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2369 1 18 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2370 1 18 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2371 1 18 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2372 1 18 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2373 1 18 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2374 1 18 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2375 1 18 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2376 1 18 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2377 1 18 . 1 1 17 17 VAL N N 17 117.729 117.729 120.572 -2.843 25601 2378 1 18 . 1 1 17 17 VAL H H 17 8.944 8.944 8.824 0.120 25601 2379 1 18 . 1 1 18 18 GLU N N 18 119.594 119.594 120.369 -0.775 25601 2380 1 18 . 1 1 18 18 GLU H H 18 8.700 8.700 8.250 0.450 25601 2381 1 18 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 2382 1 18 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2383 1 18 . 1 1 21 21 ASP N N 21 124.036 124.036 122.718 1.318 25601 2384 1 18 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 2385 1 18 . 1 1 22 22 THR N N 22 109.090 109.090 113.466 -4.376 25601 2386 1 18 . 1 1 22 22 THR H H 22 7.886 7.886 8.327 -0.441 25601 2387 1 18 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 2388 1 18 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2389 1 18 . 1 1 25 25 CYS N N 25 121.510 121.510 117.939 3.571 25601 2390 1 18 . 1 1 25 25 CYS H H 25 7.940 7.940 7.980 -0.040 25601 2391 1 18 . 1 1 26 26 VAL N N 26 122.322 122.322 119.383 2.939 25601 2392 1 18 . 1 1 26 26 VAL H H 26 8.123 8.123 7.986 0.137 25601 2393 1 18 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 2394 1 18 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2395 1 18 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 2396 1 18 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2397 1 18 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 2398 1 18 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2399 1 18 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 2400 1 18 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2401 1 18 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2402 1 18 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2403 1 18 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2404 1 18 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2405 1 18 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2406 1 18 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2407 1 18 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 2408 1 18 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 2409 1 18 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 2410 1 18 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 2411 1 18 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 2412 1 18 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 2413 1 18 . 1 1 39 39 ASP N N 39 113.748 113.748 116.234 -2.486 25601 2414 1 18 . 1 1 39 39 ASP H H 39 8.554 8.554 8.688 -0.134 25601 2415 1 18 . 1 1 40 40 GLN N N 40 117.015 117.015 117.346 -0.331 25601 2416 1 18 . 1 1 40 40 GLN H H 40 7.841 7.841 7.830 0.011 25601 2417 1 18 . 1 1 41 41 GLN N N 41 118.149 118.149 119.879 -1.730 25601 2418 1 18 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 2419 1 18 . 1 1 42 42 ARG N N 42 123.178 123.178 124.116 -0.938 25601 2420 1 18 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 2421 1 18 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 2422 1 18 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 2423 1 18 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 2424 1 18 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 2425 1 18 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 2426 1 18 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2427 1 18 . 1 1 46 46 ALA N N 46 112.473 112.473 127.230 -14.757 25601 2428 1 18 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 2429 1 18 . 1 1 47 47 GLY N N 47 123.105 123.105 104.300 18.805 25601 2430 1 18 . 1 1 47 47 GLY H H 47 8.094 8.094 8.414 -0.320 25601 2431 1 18 . 1 1 48 48 CYS N N 48 122.066 122.066 119.704 2.362 25601 2432 1 18 . 1 1 48 48 CYS H H 48 8.001 8.001 7.988 0.013 25601 2433 1 18 . 1 1 49 49 GLN N N 49 123.249 123.249 121.880 1.369 25601 2434 1 18 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 2435 1 18 . 1 1 50 50 LEU N N 50 125.854 125.854 123.629 2.225 25601 2436 1 18 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 2437 1 18 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 2438 1 18 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 2439 1 18 . 1 1 52 52 ASP N N 52 120.548 120.548 125.141 -4.593 25601 2440 1 18 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 2441 1 18 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 2442 1 18 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2443 1 18 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2444 1 18 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2445 1 18 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2446 1 18 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2447 1 18 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2448 1 18 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2449 1 18 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2450 1 18 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2451 1 18 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 2452 1 18 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2453 1 18 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2454 1 18 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2455 1 18 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2456 1 18 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2457 1 18 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2458 1 18 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2459 1 18 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2460 1 18 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2461 1 18 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2462 1 18 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2463 1 18 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2464 1 18 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2465 1 18 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2466 1 18 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2467 1 18 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2468 1 18 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2469 1 18 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2470 1 18 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2471 1 18 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 2472 1 18 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2473 1 18 . 1 1 70 70 VAL N N 70 127.016 127.016 121.540 5.476 25601 2474 1 18 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 2475 1 18 . 1 1 71 71 LEU N N 71 123.344 123.344 122.990 0.354 25601 2476 1 18 . 1 1 71 71 LEU H H 71 8.116 8.116 8.369 -0.253 25601 2477 1 18 . 1 1 72 72 ARG N N 72 123.792 123.792 122.769 1.023 25601 2478 1 18 . 1 1 72 72 ARG H H 72 8.624 8.624 8.808 -0.184 25601 2479 1 18 . 1 1 73 73 LEU N N 73 124.467 124.467 122.446 2.021 25601 2480 1 18 . 1 1 73 73 LEU H H 73 8.352 8.352 8.424 -0.072 25601 2481 1 18 . 1 1 74 74 ARG N N 74 122.301 122.301 121.621 0.680 25601 2482 1 18 . 1 1 74 74 ARG H H 74 8.487 8.487 8.251 0.236 25601 2483 1 18 . 1 1 75 75 GLY N N 75 111.035 111.035 107.509 3.526 25601 2484 1 18 . 1 1 75 75 GLY H H 75 8.568 8.568 8.381 0.187 25601 2485 1 19 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2486 1 19 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2487 1 19 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2488 1 19 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2489 1 19 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2490 1 19 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2491 1 19 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2492 1 19 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2493 1 19 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2494 1 19 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2495 1 19 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2496 1 19 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2497 1 19 . 1 1 8 8 LEU N N 8 121.449 121.449 118.603 2.846 25601 2498 1 19 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2499 1 19 . 1 1 9 9 THR N N 9 126.497 126.497 111.332 15.165 25601 2500 1 19 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2501 1 19 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2502 1 19 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2503 1 19 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2504 1 19 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2505 1 19 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2506 1 19 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2507 1 19 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2508 1 19 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2509 1 19 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2510 1 19 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2511 1 19 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2512 1 19 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2513 1 19 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2514 1 19 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2515 1 19 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 2516 1 19 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 2517 1 19 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 2518 1 19 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 2519 1 19 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 2520 1 19 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2521 1 19 . 1 1 21 21 ASP N N 21 124.036 124.036 122.720 1.316 25601 2522 1 19 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 2523 1 19 . 1 1 22 22 THR N N 22 109.090 109.090 113.455 -4.365 25601 2524 1 19 . 1 1 22 22 THR H H 22 7.886 7.886 8.327 -0.441 25601 2525 1 19 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 2526 1 19 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2527 1 19 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 2528 1 19 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 2529 1 19 . 1 1 26 26 VAL N N 26 122.322 122.322 119.089 3.233 25601 2530 1 19 . 1 1 26 26 VAL H H 26 8.123 8.123 7.961 0.162 25601 2531 1 19 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 2532 1 19 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2533 1 19 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 2534 1 19 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2535 1 19 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 2536 1 19 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2537 1 19 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 2538 1 19 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2539 1 19 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2540 1 19 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2541 1 19 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2542 1 19 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2543 1 19 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2544 1 19 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2545 1 19 . 1 1 34 34 GLU N N 34 114.495 114.495 118.869 -4.374 25601 2546 1 19 . 1 1 34 34 GLU H H 34 8.740 8.740 8.194 0.546 25601 2547 1 19 . 1 1 35 35 GLY N N 35 108.947 108.947 107.406 1.541 25601 2548 1 19 . 1 1 35 35 GLY H H 35 8.502 8.502 8.037 0.465 25601 2549 1 19 . 1 1 36 36 ILE N N 36 120.438 120.438 122.758 -2.320 25601 2550 1 19 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 2551 1 19 . 1 1 39 39 ASP N N 39 113.748 113.748 116.294 -2.546 25601 2552 1 19 . 1 1 39 39 ASP H H 39 8.554 8.554 8.769 -0.215 25601 2553 1 19 . 1 1 40 40 GLN N N 40 117.015 117.015 117.325 -0.310 25601 2554 1 19 . 1 1 40 40 GLN H H 40 7.841 7.841 7.867 -0.026 25601 2555 1 19 . 1 1 41 41 GLN N N 41 118.149 118.149 119.853 -1.704 25601 2556 1 19 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 2557 1 19 . 1 1 42 42 ARG N N 42 123.178 123.178 124.136 -0.958 25601 2558 1 19 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 2559 1 19 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 2560 1 19 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 2561 1 19 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 2562 1 19 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 2563 1 19 . 1 1 45 45 PHE N N 45 125.152 125.152 124.210 0.942 25601 2564 1 19 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2565 1 19 . 1 1 46 46 ALA N N 46 112.473 112.473 127.226 -14.753 25601 2566 1 19 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 2567 1 19 . 1 1 47 47 GLY N N 47 123.105 123.105 104.201 18.904 25601 2568 1 19 . 1 1 47 47 GLY H H 47 8.094 8.094 8.462 -0.368 25601 2569 1 19 . 1 1 48 48 CYS N N 48 122.066 122.066 119.507 2.559 25601 2570 1 19 . 1 1 48 48 CYS H H 48 8.001 8.001 7.961 0.040 25601 2571 1 19 . 1 1 49 49 GLN N N 49 123.249 123.249 123.516 -0.267 25601 2572 1 19 . 1 1 49 49 GLN H H 49 8.641 8.641 8.579 0.062 25601 2573 1 19 . 1 1 50 50 LEU N N 50 125.854 125.854 123.558 2.296 25601 2574 1 19 . 1 1 50 50 LEU H H 50 8.576 8.576 8.573 0.003 25601 2575 1 19 . 1 1 51 51 GLU N N 51 123.307 123.307 121.201 2.106 25601 2576 1 19 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 2577 1 19 . 1 1 52 52 ASP N N 52 120.548 120.548 123.347 -2.799 25601 2578 1 19 . 1 1 52 52 ASP H H 52 8.166 8.166 8.765 -0.599 25601 2579 1 19 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 2580 1 19 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2581 1 19 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2582 1 19 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2583 1 19 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2584 1 19 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2585 1 19 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2586 1 19 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2587 1 19 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2588 1 19 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2589 1 19 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 2590 1 19 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2591 1 19 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2592 1 19 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2593 1 19 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2594 1 19 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2595 1 19 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2596 1 19 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2597 1 19 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2598 1 19 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2599 1 19 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2600 1 19 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2601 1 19 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2602 1 19 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2603 1 19 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2604 1 19 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2605 1 19 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2606 1 19 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2607 1 19 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2608 1 19 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2609 1 19 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 2610 1 19 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2611 1 19 . 1 1 70 70 VAL N N 70 127.016 127.016 121.540 5.476 25601 2612 1 19 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 2613 1 19 . 1 1 71 71 LEU N N 71 123.344 123.344 123.005 0.339 25601 2614 1 19 . 1 1 71 71 LEU H H 71 8.116 8.116 8.360 -0.244 25601 2615 1 19 . 1 1 72 72 ARG N N 72 123.792 123.792 122.347 1.445 25601 2616 1 19 . 1 1 72 72 ARG H H 72 8.624 8.624 8.610 0.014 25601 2617 1 19 . 1 1 73 73 LEU N N 73 124.467 124.467 121.098 3.369 25601 2618 1 19 . 1 1 73 73 LEU H H 73 8.352 8.352 8.439 -0.087 25601 2619 1 19 . 1 1 74 74 ARG N N 74 122.301 122.301 117.164 5.137 25601 2620 1 19 . 1 1 74 74 ARG H H 74 8.487 8.487 8.251 0.236 25601 2621 1 19 . 1 1 75 75 GLY N N 75 111.035 111.035 106.105 4.930 25601 2622 1 19 . 1 1 75 75 GLY H H 75 8.568 8.568 8.152 0.416 25601 2623 1 20 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2624 1 20 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2625 1 20 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2626 1 20 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2627 1 20 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2628 1 20 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2629 1 20 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2630 1 20 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2631 1 20 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2632 1 20 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2633 1 20 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2634 1 20 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2635 1 20 . 1 1 8 8 LEU N N 8 121.449 121.449 118.603 2.846 25601 2636 1 20 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2637 1 20 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 2638 1 20 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2639 1 20 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2640 1 20 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2641 1 20 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2642 1 20 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2643 1 20 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2644 1 20 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2645 1 20 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2646 1 20 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2647 1 20 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2648 1 20 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2649 1 20 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2650 1 20 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2651 1 20 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2652 1 20 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2653 1 20 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 2654 1 20 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 2655 1 20 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 2656 1 20 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 2657 1 20 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 2658 1 20 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2659 1 20 . 1 1 21 21 ASP N N 21 124.036 124.036 123.532 0.504 25601 2660 1 20 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 2661 1 20 . 1 1 22 22 THR N N 22 109.090 109.090 112.410 -3.320 25601 2662 1 20 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 2663 1 20 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 2664 1 20 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2665 1 20 . 1 1 25 25 CYS N N 25 121.510 121.510 118.059 3.451 25601 2666 1 20 . 1 1 25 25 CYS H H 25 7.940 7.940 8.001 -0.061 25601 2667 1 20 . 1 1 26 26 VAL N N 26 122.322 122.322 119.115 3.207 25601 2668 1 20 . 1 1 26 26 VAL H H 26 8.123 8.123 7.964 0.159 25601 2669 1 20 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 2670 1 20 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2671 1 20 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 2672 1 20 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2673 1 20 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 2674 1 20 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2675 1 20 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 2676 1 20 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2677 1 20 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2678 1 20 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2679 1 20 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2680 1 20 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2681 1 20 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2682 1 20 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2683 1 20 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 2684 1 20 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 2685 1 20 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 2686 1 20 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 2687 1 20 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 2688 1 20 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 2689 1 20 . 1 1 39 39 ASP N N 39 113.748 113.748 116.171 -2.423 25601 2690 1 20 . 1 1 39 39 ASP H H 39 8.554 8.554 8.784 -0.230 25601 2691 1 20 . 1 1 40 40 GLN N N 40 117.015 117.015 117.335 -0.320 25601 2692 1 20 . 1 1 40 40 GLN H H 40 7.841 7.841 7.877 -0.036 25601 2693 1 20 . 1 1 41 41 GLN N N 41 118.149 118.149 119.738 -1.589 25601 2694 1 20 . 1 1 41 41 GLN H H 41 7.494 7.494 7.489 0.005 25601 2695 1 20 . 1 1 42 42 ARG N N 42 123.178 123.178 123.501 -0.323 25601 2696 1 20 . 1 1 42 42 ARG H H 42 8.514 8.514 8.618 -0.104 25601 2697 1 20 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 2698 1 20 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 2699 1 20 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 2700 1 20 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 2701 1 20 . 1 1 45 45 PHE N N 45 125.152 125.152 124.208 0.944 25601 2702 1 20 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2703 1 20 . 1 1 46 46 ALA N N 46 112.473 112.473 127.224 -14.751 25601 2704 1 20 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 2705 1 20 . 1 1 47 47 GLY N N 47 123.105 123.105 104.196 18.909 25601 2706 1 20 . 1 1 47 47 GLY H H 47 8.094 8.094 8.463 -0.369 25601 2707 1 20 . 1 1 48 48 CYS N N 48 122.066 122.066 119.509 2.557 25601 2708 1 20 . 1 1 48 48 CYS H H 48 8.001 8.001 7.960 0.041 25601 2709 1 20 . 1 1 49 49 GLN N N 49 123.249 123.249 123.522 -0.273 25601 2710 1 20 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 2711 1 20 . 1 1 50 50 LEU N N 50 125.854 125.854 123.548 2.306 25601 2712 1 20 . 1 1 50 50 LEU H H 50 8.576 8.576 8.574 0.002 25601 2713 1 20 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 2714 1 20 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 2715 1 20 . 1 1 52 52 ASP N N 52 120.548 120.548 123.484 -2.936 25601 2716 1 20 . 1 1 52 52 ASP H H 52 8.166 8.166 8.769 -0.603 25601 2717 1 20 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 2718 1 20 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2719 1 20 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2720 1 20 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2721 1 20 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2722 1 20 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2723 1 20 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2724 1 20 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2725 1 20 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2726 1 20 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2727 1 20 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 2728 1 20 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2729 1 20 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2730 1 20 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2731 1 20 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2732 1 20 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2733 1 20 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2734 1 20 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2735 1 20 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2736 1 20 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2737 1 20 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2738 1 20 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2739 1 20 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2740 1 20 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2741 1 20 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2742 1 20 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2743 1 20 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2744 1 20 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2745 1 20 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2746 1 20 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2747 1 20 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 2748 1 20 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2749 1 20 . 1 1 70 70 VAL N N 70 127.016 127.016 121.510 5.506 25601 2750 1 20 . 1 1 70 70 VAL H H 70 9.197 9.197 8.856 0.341 25601 2751 1 20 . 1 1 71 71 LEU N N 71 123.344 123.344 122.038 1.306 25601 2752 1 20 . 1 1 71 71 LEU H H 71 8.116 8.116 8.202 -0.086 25601 2753 1 20 . 1 1 72 72 ARG N N 72 123.792 123.792 121.643 2.149 25601 2754 1 20 . 1 1 72 72 ARG H H 72 8.624 8.624 8.739 -0.115 25601 2755 1 20 . 1 1 73 73 LEU N N 73 124.467 124.467 115.389 9.078 25601 2756 1 20 . 1 1 73 73 LEU H H 73 8.352 8.352 8.013 0.339 25601 2757 1 20 . 1 1 74 74 ARG N N 74 122.301 122.301 116.549 5.752 25601 2758 1 20 . 1 1 74 74 ARG H H 74 8.487 8.487 8.155 0.332 25601 2759 1 20 . 1 1 75 75 GLY N N 75 111.035 111.035 106.870 4.165 25601 2760 1 20 . 1 1 75 75 GLY H H 75 8.568 8.568 8.219 0.349 25601 2761 1 21 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2762 1 21 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2763 1 21 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2764 1 21 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2765 1 21 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2766 1 21 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2767 1 21 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2768 1 21 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2769 1 21 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2770 1 21 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2771 1 21 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2772 1 21 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2773 1 21 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 2774 1 21 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2775 1 21 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 2776 1 21 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2777 1 21 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2778 1 21 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2779 1 21 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2780 1 21 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2781 1 21 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2782 1 21 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2783 1 21 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2784 1 21 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2785 1 21 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2786 1 21 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2787 1 21 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2788 1 21 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2789 1 21 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2790 1 21 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2791 1 21 . 1 1 17 17 VAL N N 17 117.729 117.729 120.540 -2.811 25601 2792 1 21 . 1 1 17 17 VAL H H 17 8.944 8.944 8.820 0.124 25601 2793 1 21 . 1 1 18 18 GLU N N 18 119.594 119.594 120.445 -0.851 25601 2794 1 21 . 1 1 18 18 GLU H H 18 8.700 8.700 8.234 0.466 25601 2795 1 21 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 2796 1 21 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2797 1 21 . 1 1 21 21 ASP N N 21 124.036 124.036 122.732 1.304 25601 2798 1 21 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 2799 1 21 . 1 1 22 22 THR N N 22 109.090 109.090 113.437 -4.347 25601 2800 1 21 . 1 1 22 22 THR H H 22 7.886 7.886 8.326 -0.440 25601 2801 1 21 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 2802 1 21 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2803 1 21 . 1 1 25 25 CYS N N 25 121.510 121.510 117.832 3.678 25601 2804 1 21 . 1 1 25 25 CYS H H 25 7.940 7.940 7.899 0.041 25601 2805 1 21 . 1 1 26 26 VAL N N 26 122.322 122.322 119.607 2.715 25601 2806 1 21 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 2807 1 21 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 2808 1 21 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2809 1 21 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 2810 1 21 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2811 1 21 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 2812 1 21 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2813 1 21 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 2814 1 21 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2815 1 21 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2816 1 21 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2817 1 21 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2818 1 21 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2819 1 21 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2820 1 21 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2821 1 21 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 2822 1 21 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 2823 1 21 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 2824 1 21 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 2825 1 21 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 2826 1 21 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 2827 1 21 . 1 1 39 39 ASP N N 39 113.748 113.748 116.066 -2.318 25601 2828 1 21 . 1 1 39 39 ASP H H 39 8.554 8.554 8.843 -0.289 25601 2829 1 21 . 1 1 40 40 GLN N N 40 117.015 117.015 117.622 -0.607 25601 2830 1 21 . 1 1 40 40 GLN H H 40 7.841 7.841 7.912 -0.071 25601 2831 1 21 . 1 1 41 41 GLN N N 41 118.149 118.149 119.894 -1.745 25601 2832 1 21 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 2833 1 21 . 1 1 42 42 ARG N N 42 123.178 123.178 124.105 -0.927 25601 2834 1 21 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 2835 1 21 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 2836 1 21 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 2837 1 21 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 2838 1 21 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 2839 1 21 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 2840 1 21 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2841 1 21 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 2842 1 21 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 2843 1 21 . 1 1 47 47 GLY N N 47 123.105 123.105 104.338 18.767 25601 2844 1 21 . 1 1 47 47 GLY H H 47 8.094 8.094 8.417 -0.323 25601 2845 1 21 . 1 1 48 48 CYS N N 48 122.066 122.066 119.724 2.342 25601 2846 1 21 . 1 1 48 48 CYS H H 48 8.001 8.001 7.981 0.020 25601 2847 1 21 . 1 1 49 49 GLN N N 49 123.249 123.249 121.674 1.575 25601 2848 1 21 . 1 1 49 49 GLN H H 49 8.641 8.641 8.591 0.050 25601 2849 1 21 . 1 1 50 50 LEU N N 50 125.854 125.854 123.629 2.225 25601 2850 1 21 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 2851 1 21 . 1 1 51 51 GLU N N 51 123.307 123.307 121.192 2.115 25601 2852 1 21 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 2853 1 21 . 1 1 52 52 ASP N N 52 120.548 120.548 123.343 -2.795 25601 2854 1 21 . 1 1 52 52 ASP H H 52 8.166 8.166 8.737 -0.571 25601 2855 1 21 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 2856 1 21 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2857 1 21 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2858 1 21 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2859 1 21 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2860 1 21 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2861 1 21 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 2862 1 21 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 2863 1 21 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 2864 1 21 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 2865 1 21 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 2866 1 21 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 2867 1 21 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 2868 1 21 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 2869 1 21 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 2870 1 21 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 2871 1 21 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 2872 1 21 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 2873 1 21 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 2874 1 21 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 2875 1 21 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 2876 1 21 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 2877 1 21 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 2878 1 21 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 2879 1 21 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 2880 1 21 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 2881 1 21 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 2882 1 21 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 2883 1 21 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 2884 1 21 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 2885 1 21 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 2886 1 21 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 2887 1 21 . 1 1 70 70 VAL N N 70 127.016 127.016 121.535 5.481 25601 2888 1 21 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 2889 1 21 . 1 1 71 71 LEU N N 71 123.344 123.344 122.868 0.476 25601 2890 1 21 . 1 1 71 71 LEU H H 71 8.116 8.116 8.161 -0.045 25601 2891 1 21 . 1 1 72 72 ARG N N 72 123.792 123.792 122.536 1.256 25601 2892 1 21 . 1 1 72 72 ARG H H 72 8.624 8.624 8.948 -0.324 25601 2893 1 21 . 1 1 73 73 LEU N N 73 124.467 124.467 118.342 6.125 25601 2894 1 21 . 1 1 73 73 LEU H H 73 8.352 8.352 8.016 0.336 25601 2895 1 21 . 1 1 74 74 ARG N N 74 122.301 122.301 121.158 1.143 25601 2896 1 21 . 1 1 74 74 ARG H H 74 8.487 8.487 8.103 0.384 25601 2897 1 21 . 1 1 75 75 GLY N N 75 111.035 111.035 107.715 3.320 25601 2898 1 21 . 1 1 75 75 GLY H H 75 8.568 8.568 8.625 -0.057 25601 2899 1 22 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2900 1 22 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 2901 1 22 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 2902 1 22 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 2903 1 22 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 2904 1 22 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 2905 1 22 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 2906 1 22 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 2907 1 22 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 2908 1 22 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 2909 1 22 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 2910 1 22 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 2911 1 22 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 2912 1 22 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 2913 1 22 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 2914 1 22 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 2915 1 22 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 2916 1 22 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 2917 1 22 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 2918 1 22 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 2919 1 22 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 2920 1 22 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 2921 1 22 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 2922 1 22 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 2923 1 22 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 2924 1 22 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 2925 1 22 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 2926 1 22 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 2927 1 22 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 2928 1 22 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 2929 1 22 . 1 1 17 17 VAL N N 17 117.729 117.729 120.556 -2.827 25601 2930 1 22 . 1 1 17 17 VAL H H 17 8.944 8.944 8.822 0.122 25601 2931 1 22 . 1 1 18 18 GLU N N 18 119.594 119.594 120.409 -0.815 25601 2932 1 22 . 1 1 18 18 GLU H H 18 8.700 8.700 8.242 0.458 25601 2933 1 22 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 2934 1 22 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 2935 1 22 . 1 1 21 21 ASP N N 21 124.036 124.036 122.719 1.317 25601 2936 1 22 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 2937 1 22 . 1 1 22 22 THR N N 22 109.090 109.090 113.460 -4.370 25601 2938 1 22 . 1 1 22 22 THR H H 22 7.886 7.886 8.327 -0.441 25601 2939 1 22 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 2940 1 22 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 2941 1 22 . 1 1 25 25 CYS N N 25 121.510 121.510 117.820 3.690 25601 2942 1 22 . 1 1 25 25 CYS H H 25 7.940 7.940 7.896 0.044 25601 2943 1 22 . 1 1 26 26 VAL N N 26 122.322 122.322 119.641 2.681 25601 2944 1 22 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 2945 1 22 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 2946 1 22 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 2947 1 22 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 2948 1 22 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 2949 1 22 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 2950 1 22 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 2951 1 22 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 2952 1 22 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 2953 1 22 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 2954 1 22 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 2955 1 22 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 2956 1 22 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 2957 1 22 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 2958 1 22 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 2959 1 22 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 2960 1 22 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 2961 1 22 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 2962 1 22 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 2963 1 22 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 2964 1 22 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 2965 1 22 . 1 1 39 39 ASP N N 39 113.748 113.748 116.172 -2.424 25601 2966 1 22 . 1 1 39 39 ASP H H 39 8.554 8.554 8.766 -0.212 25601 2967 1 22 . 1 1 40 40 GLN N N 40 117.015 117.015 116.982 0.033 25601 2968 1 22 . 1 1 40 40 GLN H H 40 7.841 7.841 7.857 -0.016 25601 2969 1 22 . 1 1 41 41 GLN N N 41 118.149 118.149 119.878 -1.729 25601 2970 1 22 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 2971 1 22 . 1 1 42 42 ARG N N 42 123.178 123.178 124.086 -0.908 25601 2972 1 22 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 2973 1 22 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 2974 1 22 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 2975 1 22 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 2976 1 22 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 2977 1 22 . 1 1 45 45 PHE N N 45 125.152 125.152 124.219 0.933 25601 2978 1 22 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 2979 1 22 . 1 1 46 46 ALA N N 46 112.473 112.473 127.234 -14.761 25601 2980 1 22 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 2981 1 22 . 1 1 47 47 GLY N N 47 123.105 123.105 104.232 18.873 25601 2982 1 22 . 1 1 47 47 GLY H H 47 8.094 8.094 8.429 -0.335 25601 2983 1 22 . 1 1 48 48 CYS N N 48 122.066 122.066 119.528 2.538 25601 2984 1 22 . 1 1 48 48 CYS H H 48 8.001 8.001 7.986 0.015 25601 2985 1 22 . 1 1 49 49 GLN N N 49 123.249 123.249 122.860 0.389 25601 2986 1 22 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 2987 1 22 . 1 1 50 50 LEU N N 50 125.854 125.854 123.575 2.279 25601 2988 1 22 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 2989 1 22 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 2990 1 22 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 2991 1 22 . 1 1 52 52 ASP N N 52 120.548 120.548 125.147 -4.599 25601 2992 1 22 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 2993 1 22 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 2994 1 22 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 2995 1 22 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 2996 1 22 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 2997 1 22 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 2998 1 22 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 2999 1 22 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3000 1 22 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3001 1 22 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3002 1 22 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3003 1 22 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 3004 1 22 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3005 1 22 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3006 1 22 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3007 1 22 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3008 1 22 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3009 1 22 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3010 1 22 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3011 1 22 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3012 1 22 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3013 1 22 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3014 1 22 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3015 1 22 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3016 1 22 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3017 1 22 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3018 1 22 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3019 1 22 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3020 1 22 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3021 1 22 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3022 1 22 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3023 1 22 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 3024 1 22 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3025 1 22 . 1 1 70 70 VAL N N 70 127.016 127.016 121.508 5.508 25601 3026 1 22 . 1 1 70 70 VAL H H 70 9.197 9.197 8.853 0.344 25601 3027 1 22 . 1 1 71 71 LEU N N 71 123.344 123.344 123.703 -0.359 25601 3028 1 22 . 1 1 71 71 LEU H H 71 8.116 8.116 8.291 -0.175 25601 3029 1 22 . 1 1 72 72 ARG N N 72 123.792 123.792 120.143 3.649 25601 3030 1 22 . 1 1 72 72 ARG H H 72 8.624 8.624 8.741 -0.117 25601 3031 1 22 . 1 1 73 73 LEU N N 73 124.467 124.467 120.362 4.105 25601 3032 1 22 . 1 1 73 73 LEU H H 73 8.352 8.352 8.102 0.250 25601 3033 1 22 . 1 1 74 74 ARG N N 74 122.301 122.301 122.092 0.209 25601 3034 1 22 . 1 1 74 74 ARG H H 74 8.487 8.487 8.898 -0.411 25601 3035 1 22 . 1 1 75 75 GLY N N 75 111.035 111.035 107.926 3.109 25601 3036 1 22 . 1 1 75 75 GLY H H 75 8.568 8.568 8.179 0.389 25601 3037 1 23 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3038 1 23 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3039 1 23 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3040 1 23 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3041 1 23 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3042 1 23 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3043 1 23 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3044 1 23 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3045 1 23 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3046 1 23 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3047 1 23 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3048 1 23 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3049 1 23 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3050 1 23 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3051 1 23 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3052 1 23 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3053 1 23 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3054 1 23 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3055 1 23 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3056 1 23 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3057 1 23 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3058 1 23 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3059 1 23 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3060 1 23 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3061 1 23 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3062 1 23 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3063 1 23 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3064 1 23 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3065 1 23 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3066 1 23 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3067 1 23 . 1 1 17 17 VAL N N 17 117.729 117.729 120.507 -2.778 25601 3068 1 23 . 1 1 17 17 VAL H H 17 8.944 8.944 8.816 0.128 25601 3069 1 23 . 1 1 18 18 GLU N N 18 119.594 119.594 120.522 -0.928 25601 3070 1 23 . 1 1 18 18 GLU H H 18 8.700 8.700 8.219 0.481 25601 3071 1 23 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 3072 1 23 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3073 1 23 . 1 1 21 21 ASP N N 21 124.036 124.036 122.728 1.308 25601 3074 1 23 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 3075 1 23 . 1 1 22 22 THR N N 22 109.090 109.090 113.445 -4.355 25601 3076 1 23 . 1 1 22 22 THR H H 22 7.886 7.886 8.326 -0.440 25601 3077 1 23 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 3078 1 23 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3079 1 23 . 1 1 25 25 CYS N N 25 121.510 121.510 117.854 3.656 25601 3080 1 23 . 1 1 25 25 CYS H H 25 7.940 7.940 7.905 0.035 25601 3081 1 23 . 1 1 26 26 VAL N N 26 122.322 122.322 119.537 2.785 25601 3082 1 23 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 3083 1 23 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3084 1 23 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3085 1 23 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3086 1 23 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3087 1 23 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3088 1 23 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3089 1 23 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3090 1 23 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3091 1 23 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3092 1 23 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3093 1 23 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3094 1 23 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3095 1 23 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3096 1 23 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3097 1 23 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3098 1 23 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3099 1 23 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 3100 1 23 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 3101 1 23 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 3102 1 23 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 3103 1 23 . 1 1 39 39 ASP N N 39 113.748 113.748 116.349 -2.601 25601 3104 1 23 . 1 1 39 39 ASP H H 39 8.554 8.554 8.852 -0.298 25601 3105 1 23 . 1 1 40 40 GLN N N 40 117.015 117.015 117.430 -0.415 25601 3106 1 23 . 1 1 40 40 GLN H H 40 7.841 7.841 7.921 -0.080 25601 3107 1 23 . 1 1 41 41 GLN N N 41 118.149 118.149 119.854 -1.705 25601 3108 1 23 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 3109 1 23 . 1 1 42 42 ARG N N 42 123.178 123.178 124.076 -0.898 25601 3110 1 23 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 3111 1 23 . 1 1 43 43 LEU N N 43 124.593 124.593 124.732 -0.139 25601 3112 1 23 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 3113 1 23 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 3114 1 23 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 3115 1 23 . 1 1 45 45 PHE N N 45 125.152 125.152 124.207 0.945 25601 3116 1 23 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3117 1 23 . 1 1 46 46 ALA N N 46 112.473 112.473 127.220 -14.747 25601 3118 1 23 . 1 1 46 46 ALA H H 46 8.986 8.986 8.867 0.119 25601 3119 1 23 . 1 1 47 47 GLY N N 47 123.105 123.105 104.243 18.862 25601 3120 1 23 . 1 1 47 47 GLY H H 47 8.094 8.094 8.412 -0.318 25601 3121 1 23 . 1 1 48 48 CYS N N 48 122.066 122.066 119.690 2.376 25601 3122 1 23 . 1 1 48 48 CYS H H 48 8.001 8.001 7.988 0.013 25601 3123 1 23 . 1 1 49 49 GLN N N 49 123.249 123.249 121.963 1.286 25601 3124 1 23 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 3125 1 23 . 1 1 50 50 LEU N N 50 125.854 125.854 123.631 2.223 25601 3126 1 23 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 3127 1 23 . 1 1 51 51 GLU N N 51 123.307 123.307 121.192 2.115 25601 3128 1 23 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 3129 1 23 . 1 1 52 52 ASP N N 52 120.548 120.548 125.141 -4.593 25601 3130 1 23 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 3131 1 23 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 3132 1 23 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3133 1 23 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 3134 1 23 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3135 1 23 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3136 1 23 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3137 1 23 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3138 1 23 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3139 1 23 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3140 1 23 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3141 1 23 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 3142 1 23 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3143 1 23 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3144 1 23 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3145 1 23 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3146 1 23 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3147 1 23 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3148 1 23 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3149 1 23 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3150 1 23 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3151 1 23 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3152 1 23 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3153 1 23 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3154 1 23 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3155 1 23 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3156 1 23 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3157 1 23 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3158 1 23 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3159 1 23 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3160 1 23 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3161 1 23 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 3162 1 23 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3163 1 23 . 1 1 70 70 VAL N N 70 127.016 127.016 121.535 5.481 25601 3164 1 23 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 3165 1 23 . 1 1 71 71 LEU N N 71 123.344 123.344 123.129 0.215 25601 3166 1 23 . 1 1 71 71 LEU H H 71 8.116 8.116 8.400 -0.284 25601 3167 1 23 . 1 1 72 72 ARG N N 72 123.792 123.792 121.745 2.047 25601 3168 1 23 . 1 1 72 72 ARG H H 72 8.624 8.624 8.735 -0.111 25601 3169 1 23 . 1 1 73 73 LEU N N 73 124.467 124.467 120.604 3.863 25601 3170 1 23 . 1 1 73 73 LEU H H 73 8.352 8.352 8.858 -0.506 25601 3171 1 23 . 1 1 74 74 ARG N N 74 122.301 122.301 117.438 4.863 25601 3172 1 23 . 1 1 74 74 ARG H H 74 8.487 8.487 8.210 0.277 25601 3173 1 23 . 1 1 75 75 GLY N N 75 111.035 111.035 106.735 4.300 25601 3174 1 23 . 1 1 75 75 GLY H H 75 8.568 8.568 8.352 0.216 25601 3175 1 24 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3176 1 24 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3177 1 24 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3178 1 24 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3179 1 24 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3180 1 24 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3181 1 24 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3182 1 24 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3183 1 24 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3184 1 24 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3185 1 24 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3186 1 24 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3187 1 24 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3188 1 24 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3189 1 24 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3190 1 24 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3191 1 24 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3192 1 24 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3193 1 24 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3194 1 24 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3195 1 24 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3196 1 24 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3197 1 24 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3198 1 24 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3199 1 24 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3200 1 24 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3201 1 24 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3202 1 24 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3203 1 24 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3204 1 24 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3205 1 24 . 1 1 17 17 VAL N N 17 117.729 117.729 120.235 -2.506 25601 3206 1 24 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 3207 1 24 . 1 1 18 18 GLU N N 18 119.594 119.594 120.108 -0.514 25601 3208 1 24 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 3209 1 24 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 3210 1 24 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3211 1 24 . 1 1 21 21 ASP N N 21 124.036 124.036 122.771 1.265 25601 3212 1 24 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 3213 1 24 . 1 1 22 22 THR N N 22 109.090 109.090 113.362 -4.272 25601 3214 1 24 . 1 1 22 22 THR H H 22 7.886 7.886 8.317 -0.431 25601 3215 1 24 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 3216 1 24 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3217 1 24 . 1 1 25 25 CYS N N 25 121.510 121.510 117.874 3.636 25601 3218 1 24 . 1 1 25 25 CYS H H 25 7.940 7.940 7.911 0.029 25601 3219 1 24 . 1 1 26 26 VAL N N 26 122.322 122.322 119.468 2.854 25601 3220 1 24 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 3221 1 24 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3222 1 24 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3223 1 24 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3224 1 24 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3225 1 24 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3226 1 24 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3227 1 24 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3228 1 24 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3229 1 24 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3230 1 24 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3231 1 24 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3232 1 24 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3233 1 24 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3234 1 24 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3235 1 24 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3236 1 24 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3237 1 24 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 3238 1 24 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 3239 1 24 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 3240 1 24 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 3241 1 24 . 1 1 39 39 ASP N N 39 113.748 113.748 116.278 -2.530 25601 3242 1 24 . 1 1 39 39 ASP H H 39 8.554 8.554 8.711 -0.157 25601 3243 1 24 . 1 1 40 40 GLN N N 40 117.015 117.015 117.219 -0.204 25601 3244 1 24 . 1 1 40 40 GLN H H 40 7.841 7.841 7.837 0.004 25601 3245 1 24 . 1 1 41 41 GLN N N 41 118.149 118.149 119.853 -1.704 25601 3246 1 24 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 3247 1 24 . 1 1 42 42 ARG N N 42 123.178 123.178 124.120 -0.942 25601 3248 1 24 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 3249 1 24 . 1 1 43 43 LEU N N 43 124.593 124.593 124.729 -0.136 25601 3250 1 24 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 3251 1 24 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 3252 1 24 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.354 25601 3253 1 24 . 1 1 45 45 PHE N N 45 125.152 125.152 124.218 0.934 25601 3254 1 24 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3255 1 24 . 1 1 46 46 ALA N N 46 112.473 112.473 127.232 -14.759 25601 3256 1 24 . 1 1 46 46 ALA H H 46 8.986 8.986 8.874 0.112 25601 3257 1 24 . 1 1 47 47 GLY N N 47 123.105 123.105 104.277 18.828 25601 3258 1 24 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 3259 1 24 . 1 1 48 48 CYS N N 48 122.066 122.066 119.659 2.407 25601 3260 1 24 . 1 1 48 48 CYS H H 48 8.001 8.001 7.991 0.010 25601 3261 1 24 . 1 1 49 49 GLN N N 49 123.249 123.249 122.121 1.128 25601 3262 1 24 . 1 1 49 49 GLN H H 49 8.641 8.641 8.585 0.056 25601 3263 1 24 . 1 1 50 50 LEU N N 50 125.854 125.854 123.594 2.260 25601 3264 1 24 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 3265 1 24 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 3266 1 24 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 3267 1 24 . 1 1 52 52 ASP N N 52 120.548 120.548 125.145 -4.597 25601 3268 1 24 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 3269 1 24 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 3270 1 24 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3271 1 24 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 3272 1 24 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3273 1 24 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3274 1 24 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3275 1 24 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3276 1 24 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3277 1 24 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3278 1 24 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3279 1 24 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 3280 1 24 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3281 1 24 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3282 1 24 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3283 1 24 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3284 1 24 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3285 1 24 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3286 1 24 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3287 1 24 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3288 1 24 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3289 1 24 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3290 1 24 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3291 1 24 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3292 1 24 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3293 1 24 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3294 1 24 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3295 1 24 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3296 1 24 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3297 1 24 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3298 1 24 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3299 1 24 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 3300 1 24 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3301 1 24 . 1 1 70 70 VAL N N 70 127.016 127.016 121.537 5.479 25601 3302 1 24 . 1 1 70 70 VAL H H 70 9.197 9.197 8.853 0.344 25601 3303 1 24 . 1 1 71 71 LEU N N 71 123.344 123.344 123.411 -0.067 25601 3304 1 24 . 1 1 71 71 LEU H H 71 8.116 8.116 8.383 -0.267 25601 3305 1 24 . 1 1 72 72 ARG N N 72 123.792 123.792 120.980 2.812 25601 3306 1 24 . 1 1 72 72 ARG H H 72 8.624 8.624 8.761 -0.137 25601 3307 1 24 . 1 1 73 73 LEU N N 73 124.467 124.467 123.986 0.481 25601 3308 1 24 . 1 1 73 73 LEU H H 73 8.352 8.352 8.925 -0.573 25601 3309 1 24 . 1 1 74 74 ARG N N 74 122.301 122.301 120.376 1.925 25601 3310 1 24 . 1 1 74 74 ARG H H 74 8.487 8.487 8.740 -0.253 25601 3311 1 24 . 1 1 75 75 GLY N N 75 111.035 111.035 107.493 3.542 25601 3312 1 24 . 1 1 75 75 GLY H H 75 8.568 8.568 7.773 0.795 25601 3313 1 25 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3314 1 25 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3315 1 25 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3316 1 25 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3317 1 25 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3318 1 25 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3319 1 25 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3320 1 25 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3321 1 25 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3322 1 25 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3323 1 25 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3324 1 25 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3325 1 25 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3326 1 25 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3327 1 25 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3328 1 25 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3329 1 25 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3330 1 25 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3331 1 25 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3332 1 25 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3333 1 25 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3334 1 25 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3335 1 25 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3336 1 25 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3337 1 25 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3338 1 25 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3339 1 25 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3340 1 25 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3341 1 25 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3342 1 25 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3343 1 25 . 1 1 17 17 VAL N N 17 117.729 117.729 120.581 -2.852 25601 3344 1 25 . 1 1 17 17 VAL H H 17 8.944 8.944 8.825 0.119 25601 3345 1 25 . 1 1 18 18 GLU N N 18 119.594 119.594 120.348 -0.754 25601 3346 1 25 . 1 1 18 18 GLU H H 18 8.700 8.700 8.254 0.446 25601 3347 1 25 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 3348 1 25 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3349 1 25 . 1 1 21 21 ASP N N 21 124.036 124.036 122.760 1.276 25601 3350 1 25 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 3351 1 25 . 1 1 22 22 THR N N 22 109.090 109.090 113.385 -4.295 25601 3352 1 25 . 1 1 22 22 THR H H 22 7.886 7.886 8.321 -0.435 25601 3353 1 25 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 3354 1 25 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3355 1 25 . 1 1 25 25 CYS N N 25 121.510 121.510 117.798 3.712 25601 3356 1 25 . 1 1 25 25 CYS H H 25 7.940 7.940 7.892 0.048 25601 3357 1 25 . 1 1 26 26 VAL N N 26 122.322 122.322 119.698 2.624 25601 3358 1 25 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 3359 1 25 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3360 1 25 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3361 1 25 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3362 1 25 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3363 1 25 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3364 1 25 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3365 1 25 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3366 1 25 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3367 1 25 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3368 1 25 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3369 1 25 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3370 1 25 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3371 1 25 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3372 1 25 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3373 1 25 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3374 1 25 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3375 1 25 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 3376 1 25 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 3377 1 25 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 3378 1 25 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 3379 1 25 . 1 1 39 39 ASP N N 39 113.748 113.748 116.040 -2.292 25601 3380 1 25 . 1 1 39 39 ASP H H 39 8.554 8.554 8.792 -0.238 25601 3381 1 25 . 1 1 40 40 GLN N N 40 117.015 117.015 117.385 -0.370 25601 3382 1 25 . 1 1 40 40 GLN H H 40 7.841 7.841 7.887 -0.046 25601 3383 1 25 . 1 1 41 41 GLN N N 41 118.149 118.149 119.909 -1.760 25601 3384 1 25 . 1 1 41 41 GLN H H 41 7.494 7.494 7.513 -0.019 25601 3385 1 25 . 1 1 42 42 ARG N N 42 123.178 123.178 124.104 -0.926 25601 3386 1 25 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 3387 1 25 . 1 1 43 43 LEU N N 43 124.593 124.593 124.723 -0.130 25601 3388 1 25 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 3389 1 25 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 3390 1 25 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 3391 1 25 . 1 1 45 45 PHE N N 45 125.152 125.152 124.213 0.939 25601 3392 1 25 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3393 1 25 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 3394 1 25 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 3395 1 25 . 1 1 47 47 GLY N N 47 123.105 123.105 104.304 18.801 25601 3396 1 25 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 3397 1 25 . 1 1 48 48 CYS N N 48 122.066 122.066 119.710 2.356 25601 3398 1 25 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 3399 1 25 . 1 1 49 49 GLN N N 49 123.249 123.249 121.836 1.413 25601 3400 1 25 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 3401 1 25 . 1 1 50 50 LEU N N 50 125.854 125.854 123.598 2.256 25601 3402 1 25 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 3403 1 25 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 3404 1 25 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 3405 1 25 . 1 1 52 52 ASP N N 52 120.548 120.548 125.145 -4.597 25601 3406 1 25 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 3407 1 25 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 3408 1 25 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3409 1 25 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 3410 1 25 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3411 1 25 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3412 1 25 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3413 1 25 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3414 1 25 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3415 1 25 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3416 1 25 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3417 1 25 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 3418 1 25 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3419 1 25 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3420 1 25 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3421 1 25 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3422 1 25 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3423 1 25 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3424 1 25 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3425 1 25 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3426 1 25 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3427 1 25 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3428 1 25 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3429 1 25 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3430 1 25 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3431 1 25 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3432 1 25 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3433 1 25 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3434 1 25 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3435 1 25 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3436 1 25 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3437 1 25 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 3438 1 25 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3439 1 25 . 1 1 70 70 VAL N N 70 127.016 127.016 121.506 5.510 25601 3440 1 25 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 3441 1 25 . 1 1 71 71 LEU N N 71 123.344 123.344 122.810 0.534 25601 3442 1 25 . 1 1 71 71 LEU H H 71 8.116 8.116 8.295 -0.179 25601 3443 1 25 . 1 1 72 72 ARG N N 72 123.792 123.792 122.117 1.675 25601 3444 1 25 . 1 1 72 72 ARG H H 72 8.624 8.624 8.560 0.064 25601 3445 1 25 . 1 1 73 73 LEU N N 73 124.467 124.467 120.323 4.144 25601 3446 1 25 . 1 1 73 73 LEU H H 73 8.352 8.352 8.461 -0.109 25601 3447 1 25 . 1 1 74 74 ARG N N 74 122.301 122.301 121.419 0.882 25601 3448 1 25 . 1 1 74 74 ARG H H 74 8.487 8.487 8.587 -0.100 25601 3449 1 25 . 1 1 75 75 GLY N N 75 111.035 111.035 106.242 4.793 25601 3450 1 25 . 1 1 75 75 GLY H H 75 8.568 8.568 8.186 0.382 25601 3451 1 26 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3452 1 26 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3453 1 26 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3454 1 26 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3455 1 26 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3456 1 26 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3457 1 26 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3458 1 26 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3459 1 26 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3460 1 26 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3461 1 26 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3462 1 26 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3463 1 26 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3464 1 26 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3465 1 26 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3466 1 26 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3467 1 26 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3468 1 26 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3469 1 26 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3470 1 26 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3471 1 26 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3472 1 26 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3473 1 26 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3474 1 26 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3475 1 26 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3476 1 26 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3477 1 26 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3478 1 26 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3479 1 26 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3480 1 26 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3481 1 26 . 1 1 17 17 VAL N N 17 117.729 117.729 120.487 -2.758 25601 3482 1 26 . 1 1 17 17 VAL H H 17 8.944 8.944 8.814 0.130 25601 3483 1 26 . 1 1 18 18 GLU N N 18 119.594 119.594 120.567 -0.973 25601 3484 1 26 . 1 1 18 18 GLU H H 18 8.700 8.700 8.211 0.489 25601 3485 1 26 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 3486 1 26 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3487 1 26 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 3488 1 26 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 3489 1 26 . 1 1 22 22 THR N N 22 109.090 109.090 112.417 -3.327 25601 3490 1 26 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 3491 1 26 . 1 1 23 23 ILE N N 23 121.455 121.455 121.980 -0.525 25601 3492 1 26 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3493 1 26 . 1 1 25 25 CYS N N 25 121.510 121.510 117.866 3.644 25601 3494 1 26 . 1 1 25 25 CYS H H 25 7.940 7.940 7.908 0.032 25601 3495 1 26 . 1 1 26 26 VAL N N 26 122.322 122.322 119.499 2.823 25601 3496 1 26 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 3497 1 26 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3498 1 26 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3499 1 26 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3500 1 26 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3501 1 26 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3502 1 26 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3503 1 26 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3504 1 26 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3505 1 26 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3506 1 26 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3507 1 26 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3508 1 26 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3509 1 26 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3510 1 26 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3511 1 26 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3512 1 26 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3513 1 26 . 1 1 35 35 GLY N N 35 108.947 108.947 106.846 2.101 25601 3514 1 26 . 1 1 35 35 GLY H H 35 8.502 8.502 8.298 0.204 25601 3515 1 26 . 1 1 36 36 ILE N N 36 120.438 120.438 122.757 -2.319 25601 3516 1 26 . 1 1 36 36 ILE H H 36 6.186 6.186 7.800 -1.614 25601 3517 1 26 . 1 1 39 39 ASP N N 39 113.748 113.748 117.591 -3.843 25601 3518 1 26 . 1 1 39 39 ASP H H 39 8.554 8.554 8.483 0.071 25601 3519 1 26 . 1 1 40 40 GLN N N 40 117.015 117.015 117.320 -0.305 25601 3520 1 26 . 1 1 40 40 GLN H H 40 7.841 7.841 7.903 -0.062 25601 3521 1 26 . 1 1 41 41 GLN N N 41 118.149 118.149 119.866 -1.717 25601 3522 1 26 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 3523 1 26 . 1 1 42 42 ARG N N 42 123.178 123.178 124.104 -0.926 25601 3524 1 26 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 3525 1 26 . 1 1 43 43 LEU N N 43 124.593 124.593 124.729 -0.136 25601 3526 1 26 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 3527 1 26 . 1 1 44 44 ILE N N 44 122.637 122.637 121.398 1.239 25601 3528 1 26 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 3529 1 26 . 1 1 45 45 PHE N N 45 125.152 125.152 124.206 0.946 25601 3530 1 26 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3531 1 26 . 1 1 46 46 ALA N N 46 112.473 112.473 127.222 -14.749 25601 3532 1 26 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 3533 1 26 . 1 1 47 47 GLY N N 47 123.105 123.105 104.199 18.906 25601 3534 1 26 . 1 1 47 47 GLY H H 47 8.094 8.094 8.465 -0.371 25601 3535 1 26 . 1 1 48 48 CYS N N 48 122.066 122.066 119.511 2.555 25601 3536 1 26 . 1 1 48 48 CYS H H 48 8.001 8.001 7.959 0.042 25601 3537 1 26 . 1 1 49 49 GLN N N 49 123.249 123.249 123.537 -0.288 25601 3538 1 26 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 3539 1 26 . 1 1 50 50 LEU N N 50 125.854 125.854 123.533 2.321 25601 3540 1 26 . 1 1 50 50 LEU H H 50 8.576 8.576 8.575 0.001 25601 3541 1 26 . 1 1 51 51 GLU N N 51 123.307 123.307 121.202 2.105 25601 3542 1 26 . 1 1 51 51 GLU H H 51 8.391 8.391 8.328 0.063 25601 3543 1 26 . 1 1 52 52 ASP N N 52 120.548 120.548 125.154 -4.606 25601 3544 1 26 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 3545 1 26 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 3546 1 26 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3547 1 26 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 3548 1 26 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3549 1 26 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3550 1 26 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3551 1 26 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3552 1 26 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3553 1 26 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3554 1 26 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3555 1 26 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 3556 1 26 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3557 1 26 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3558 1 26 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3559 1 26 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3560 1 26 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3561 1 26 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3562 1 26 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3563 1 26 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3564 1 26 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3565 1 26 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3566 1 26 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3567 1 26 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3568 1 26 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3569 1 26 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3570 1 26 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3571 1 26 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3572 1 26 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3573 1 26 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3574 1 26 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3575 1 26 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 3576 1 26 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3577 1 26 . 1 1 70 70 VAL N N 70 127.016 127.016 121.541 5.475 25601 3578 1 26 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 3579 1 26 . 1 1 71 71 LEU N N 71 123.344 123.344 122.573 0.771 25601 3580 1 26 . 1 1 71 71 LEU H H 71 8.116 8.116 8.503 -0.387 25601 3581 1 26 . 1 1 72 72 ARG N N 72 123.792 123.792 122.718 1.074 25601 3582 1 26 . 1 1 72 72 ARG H H 72 8.624 8.624 8.669 -0.045 25601 3583 1 26 . 1 1 73 73 LEU N N 73 124.467 124.467 120.002 4.465 25601 3584 1 26 . 1 1 73 73 LEU H H 73 8.352 8.352 8.484 -0.132 25601 3585 1 26 . 1 1 74 74 ARG N N 74 122.301 122.301 118.283 4.018 25601 3586 1 26 . 1 1 74 74 ARG H H 74 8.487 8.487 7.981 0.506 25601 3587 1 26 . 1 1 75 75 GLY N N 75 111.035 111.035 108.992 2.043 25601 3588 1 26 . 1 1 75 75 GLY H H 75 8.568 8.568 8.417 0.151 25601 3589 1 27 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3590 1 27 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3591 1 27 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3592 1 27 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3593 1 27 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3594 1 27 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3595 1 27 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3596 1 27 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3597 1 27 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3598 1 27 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3599 1 27 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3600 1 27 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3601 1 27 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3602 1 27 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3603 1 27 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3604 1 27 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3605 1 27 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3606 1 27 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3607 1 27 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3608 1 27 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3609 1 27 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3610 1 27 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3611 1 27 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3612 1 27 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3613 1 27 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3614 1 27 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3615 1 27 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3616 1 27 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3617 1 27 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3618 1 27 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3619 1 27 . 1 1 17 17 VAL N N 17 117.729 117.729 120.235 -2.506 25601 3620 1 27 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 3621 1 27 . 1 1 18 18 GLU N N 18 119.594 119.594 120.108 -0.514 25601 3622 1 27 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 3623 1 27 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 3624 1 27 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3625 1 27 . 1 1 21 21 ASP N N 21 124.036 124.036 122.719 1.317 25601 3626 1 27 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 3627 1 27 . 1 1 22 22 THR N N 22 109.090 109.090 113.465 -4.375 25601 3628 1 27 . 1 1 22 22 THR H H 22 7.886 7.886 8.325 -0.439 25601 3629 1 27 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 3630 1 27 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3631 1 27 . 1 1 25 25 CYS N N 25 121.510 121.510 117.880 3.630 25601 3632 1 27 . 1 1 25 25 CYS H H 25 7.940 7.940 7.913 0.027 25601 3633 1 27 . 1 1 26 26 VAL N N 26 122.322 122.322 119.448 2.874 25601 3634 1 27 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 3635 1 27 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3636 1 27 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3637 1 27 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3638 1 27 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3639 1 27 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3640 1 27 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3641 1 27 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3642 1 27 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3643 1 27 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3644 1 27 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3645 1 27 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3646 1 27 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3647 1 27 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3648 1 27 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3649 1 27 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3650 1 27 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3651 1 27 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 3652 1 27 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 3653 1 27 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 3654 1 27 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 3655 1 27 . 1 1 39 39 ASP N N 39 113.748 113.748 116.273 -2.525 25601 3656 1 27 . 1 1 39 39 ASP H H 39 8.554 8.554 8.774 -0.220 25601 3657 1 27 . 1 1 40 40 GLN N N 40 117.015 117.015 117.349 -0.334 25601 3658 1 27 . 1 1 40 40 GLN H H 40 7.841 7.841 7.869 -0.028 25601 3659 1 27 . 1 1 41 41 GLN N N 41 118.149 118.149 119.866 -1.717 25601 3660 1 27 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 3661 1 27 . 1 1 42 42 ARG N N 42 123.178 123.178 124.143 -0.965 25601 3662 1 27 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 3663 1 27 . 1 1 43 43 LEU N N 43 124.593 124.593 124.725 -0.132 25601 3664 1 27 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 3665 1 27 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 3666 1 27 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 3667 1 27 . 1 1 45 45 PHE N N 45 125.152 125.152 124.199 0.953 25601 3668 1 27 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3669 1 27 . 1 1 46 46 ALA N N 46 112.473 112.473 127.213 -14.740 25601 3670 1 27 . 1 1 46 46 ALA H H 46 8.986 8.986 8.866 0.120 25601 3671 1 27 . 1 1 47 47 GLY N N 47 123.105 123.105 104.435 18.670 25601 3672 1 27 . 1 1 47 47 GLY H H 47 8.094 8.094 8.438 -0.344 25601 3673 1 27 . 1 1 48 48 CYS N N 48 122.066 122.066 119.616 2.450 25601 3674 1 27 . 1 1 48 48 CYS H H 48 8.001 8.001 7.954 0.047 25601 3675 1 27 . 1 1 49 49 GLN N N 49 123.249 123.249 121.325 1.924 25601 3676 1 27 . 1 1 49 49 GLN H H 49 8.641 8.641 8.593 0.048 25601 3677 1 27 . 1 1 50 50 LEU N N 50 125.854 125.854 123.572 2.282 25601 3678 1 27 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 3679 1 27 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 3680 1 27 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 3681 1 27 . 1 1 52 52 ASP N N 52 120.548 120.548 123.283 -2.735 25601 3682 1 27 . 1 1 52 52 ASP H H 52 8.166 8.166 8.725 -0.559 25601 3683 1 27 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 3684 1 27 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3685 1 27 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 3686 1 27 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3687 1 27 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3688 1 27 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3689 1 27 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3690 1 27 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3691 1 27 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3692 1 27 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3693 1 27 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 3694 1 27 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3695 1 27 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3696 1 27 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3697 1 27 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3698 1 27 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3699 1 27 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3700 1 27 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3701 1 27 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3702 1 27 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3703 1 27 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3704 1 27 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3705 1 27 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3706 1 27 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3707 1 27 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3708 1 27 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3709 1 27 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3710 1 27 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3711 1 27 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3712 1 27 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3713 1 27 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 3714 1 27 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3715 1 27 . 1 1 70 70 VAL N N 70 127.016 127.016 121.541 5.475 25601 3716 1 27 . 1 1 70 70 VAL H H 70 9.197 9.197 8.856 0.341 25601 3717 1 27 . 1 1 71 71 LEU N N 71 123.344 123.344 123.292 0.052 25601 3718 1 27 . 1 1 71 71 LEU H H 71 8.116 8.116 7.974 0.142 25601 3719 1 27 . 1 1 72 72 ARG N N 72 123.792 123.792 124.688 -0.896 25601 3720 1 27 . 1 1 72 72 ARG H H 72 8.624 8.624 8.811 -0.187 25601 3721 1 27 . 1 1 73 73 LEU N N 73 124.467 124.467 117.432 7.035 25601 3722 1 27 . 1 1 73 73 LEU H H 73 8.352 8.352 8.180 0.172 25601 3723 1 27 . 1 1 74 74 ARG N N 74 122.301 122.301 117.165 5.136 25601 3724 1 27 . 1 1 74 74 ARG H H 74 8.487 8.487 8.517 -0.030 25601 3725 1 27 . 1 1 75 75 GLY N N 75 111.035 111.035 106.984 4.051 25601 3726 1 27 . 1 1 75 75 GLY H H 75 8.568 8.568 8.353 0.215 25601 3727 1 28 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3728 1 28 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3729 1 28 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3730 1 28 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3731 1 28 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3732 1 28 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3733 1 28 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3734 1 28 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3735 1 28 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3736 1 28 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3737 1 28 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3738 1 28 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3739 1 28 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3740 1 28 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3741 1 28 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3742 1 28 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3743 1 28 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3744 1 28 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3745 1 28 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3746 1 28 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3747 1 28 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3748 1 28 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3749 1 28 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3750 1 28 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3751 1 28 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3752 1 28 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3753 1 28 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3754 1 28 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3755 1 28 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3756 1 28 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3757 1 28 . 1 1 17 17 VAL N N 17 117.729 117.729 120.235 -2.506 25601 3758 1 28 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 3759 1 28 . 1 1 18 18 GLU N N 18 119.594 119.594 120.109 -0.515 25601 3760 1 28 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 3761 1 28 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 3762 1 28 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3763 1 28 . 1 1 21 21 ASP N N 21 124.036 124.036 122.768 1.268 25601 3764 1 28 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 3765 1 28 . 1 1 22 22 THR N N 22 109.090 109.090 113.370 -4.280 25601 3766 1 28 . 1 1 22 22 THR H H 22 7.886 7.886 8.318 -0.432 25601 3767 1 28 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 3768 1 28 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3769 1 28 . 1 1 25 25 CYS N N 25 121.510 121.510 117.964 3.546 25601 3770 1 28 . 1 1 25 25 CYS H H 25 7.940 7.940 7.983 -0.043 25601 3771 1 28 . 1 1 26 26 VAL N N 26 122.322 122.322 119.343 2.979 25601 3772 1 28 . 1 1 26 26 VAL H H 26 8.123 8.123 7.984 0.139 25601 3773 1 28 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3774 1 28 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3775 1 28 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3776 1 28 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3777 1 28 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3778 1 28 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3779 1 28 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3780 1 28 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3781 1 28 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3782 1 28 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3783 1 28 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3784 1 28 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3785 1 28 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3786 1 28 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3787 1 28 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3788 1 28 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3789 1 28 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 3790 1 28 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 3791 1 28 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 3792 1 28 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 3793 1 28 . 1 1 39 39 ASP N N 39 113.748 113.748 116.113 -2.365 25601 3794 1 28 . 1 1 39 39 ASP H H 39 8.554 8.554 8.676 -0.122 25601 3795 1 28 . 1 1 40 40 GLN N N 40 117.015 117.015 117.428 -0.413 25601 3796 1 28 . 1 1 40 40 GLN H H 40 7.841 7.841 7.829 0.012 25601 3797 1 28 . 1 1 41 41 GLN N N 41 118.149 118.149 119.881 -1.732 25601 3798 1 28 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 3799 1 28 . 1 1 42 42 ARG N N 42 123.178 123.178 124.107 -0.929 25601 3800 1 28 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 3801 1 28 . 1 1 43 43 LEU N N 43 124.593 124.593 124.717 -0.124 25601 3802 1 28 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 3803 1 28 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 3804 1 28 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 3805 1 28 . 1 1 45 45 PHE N N 45 125.152 125.152 124.210 0.942 25601 3806 1 28 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3807 1 28 . 1 1 46 46 ALA N N 46 112.473 112.473 127.225 -14.752 25601 3808 1 28 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 3809 1 28 . 1 1 47 47 GLY N N 47 123.105 123.105 104.380 18.725 25601 3810 1 28 . 1 1 47 47 GLY H H 47 8.094 8.094 8.423 -0.329 25601 3811 1 28 . 1 1 48 48 CYS N N 48 122.066 122.066 119.714 2.352 25601 3812 1 28 . 1 1 48 48 CYS H H 48 8.001 8.001 7.974 0.027 25601 3813 1 28 . 1 1 49 49 GLN N N 49 123.249 123.249 121.530 1.719 25601 3814 1 28 . 1 1 49 49 GLN H H 49 8.641 8.641 8.591 0.050 25601 3815 1 28 . 1 1 50 50 LEU N N 50 125.854 125.854 123.585 2.269 25601 3816 1 28 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 3817 1 28 . 1 1 51 51 GLU N N 51 123.307 123.307 121.194 2.113 25601 3818 1 28 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 3819 1 28 . 1 1 52 52 ASP N N 52 120.548 120.548 123.411 -2.863 25601 3820 1 28 . 1 1 52 52 ASP H H 52 8.166 8.166 8.752 -0.586 25601 3821 1 28 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 3822 1 28 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3823 1 28 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 3824 1 28 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3825 1 28 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3826 1 28 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3827 1 28 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3828 1 28 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3829 1 28 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3830 1 28 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3831 1 28 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 3832 1 28 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3833 1 28 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3834 1 28 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3835 1 28 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3836 1 28 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3837 1 28 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3838 1 28 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3839 1 28 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3840 1 28 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3841 1 28 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3842 1 28 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3843 1 28 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3844 1 28 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3845 1 28 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3846 1 28 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3847 1 28 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3848 1 28 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3849 1 28 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3850 1 28 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3851 1 28 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 3852 1 28 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3853 1 28 . 1 1 70 70 VAL N N 70 127.016 127.016 121.520 5.496 25601 3854 1 28 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 3855 1 28 . 1 1 71 71 LEU N N 71 123.344 123.344 122.836 0.508 25601 3856 1 28 . 1 1 71 71 LEU H H 71 8.116 8.116 8.286 -0.170 25601 3857 1 28 . 1 1 72 72 ARG N N 72 123.792 123.792 123.536 0.256 25601 3858 1 28 . 1 1 72 72 ARG H H 72 8.624 8.624 8.772 -0.148 25601 3859 1 28 . 1 1 73 73 LEU N N 73 124.467 124.467 118.780 5.687 25601 3860 1 28 . 1 1 73 73 LEU H H 73 8.352 8.352 8.295 0.057 25601 3861 1 28 . 1 1 74 74 ARG N N 74 122.301 122.301 122.355 -0.054 25601 3862 1 28 . 1 1 74 74 ARG H H 74 8.487 8.487 8.489 -0.002 25601 3863 1 28 . 1 1 75 75 GLY N N 75 111.035 111.035 107.972 3.063 25601 3864 1 28 . 1 1 75 75 GLY H H 75 8.568 8.568 8.201 0.367 25601 3865 1 29 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 3866 1 29 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3867 1 29 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 3868 1 29 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 3869 1 29 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 3870 1 29 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 3871 1 29 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 3872 1 29 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 3873 1 29 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 3874 1 29 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 3875 1 29 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 3876 1 29 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 3877 1 29 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 3878 1 29 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 3879 1 29 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 3880 1 29 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 3881 1 29 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 3882 1 29 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 3883 1 29 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 3884 1 29 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 3885 1 29 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 3886 1 29 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 3887 1 29 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 3888 1 29 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 3889 1 29 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 3890 1 29 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 3891 1 29 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 3892 1 29 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 3893 1 29 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 3894 1 29 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 3895 1 29 . 1 1 17 17 VAL N N 17 117.729 117.729 120.544 -2.815 25601 3896 1 29 . 1 1 17 17 VAL H H 17 8.944 8.944 8.821 0.123 25601 3897 1 29 . 1 1 18 18 GLU N N 18 119.594 119.594 120.437 -0.843 25601 3898 1 29 . 1 1 18 18 GLU H H 18 8.700 8.700 8.236 0.464 25601 3899 1 29 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 3900 1 29 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 3901 1 29 . 1 1 21 21 ASP N N 21 124.036 124.036 122.763 1.273 25601 3902 1 29 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 3903 1 29 . 1 1 22 22 THR N N 22 109.090 109.090 113.378 -4.288 25601 3904 1 29 . 1 1 22 22 THR H H 22 7.886 7.886 8.320 -0.434 25601 3905 1 29 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 3906 1 29 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 3907 1 29 . 1 1 25 25 CYS N N 25 121.510 121.510 117.829 3.681 25601 3908 1 29 . 1 1 25 25 CYS H H 25 7.940 7.940 7.899 0.041 25601 3909 1 29 . 1 1 26 26 VAL N N 26 122.322 122.322 119.614 2.708 25601 3910 1 29 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 3911 1 29 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 3912 1 29 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 3913 1 29 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 3914 1 29 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 3915 1 29 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 3916 1 29 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 3917 1 29 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 3918 1 29 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 3919 1 29 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 3920 1 29 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 3921 1 29 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 3922 1 29 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 3923 1 29 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 3924 1 29 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 3925 1 29 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 3926 1 29 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 3927 1 29 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 3928 1 29 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 3929 1 29 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 3930 1 29 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 3931 1 29 . 1 1 39 39 ASP N N 39 113.748 113.748 116.291 -2.543 25601 3932 1 29 . 1 1 39 39 ASP H H 39 8.554 8.554 8.765 -0.211 25601 3933 1 29 . 1 1 40 40 GLN N N 40 117.015 117.015 117.321 -0.306 25601 3934 1 29 . 1 1 40 40 GLN H H 40 7.841 7.841 7.864 -0.023 25601 3935 1 29 . 1 1 41 41 GLN N N 41 118.149 118.149 119.868 -1.719 25601 3936 1 29 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 3937 1 29 . 1 1 42 42 ARG N N 42 123.178 123.178 124.131 -0.953 25601 3938 1 29 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 3939 1 29 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 3940 1 29 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 3941 1 29 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 3942 1 29 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 3943 1 29 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 3944 1 29 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 3945 1 29 . 1 1 46 46 ALA N N 46 112.473 112.473 127.230 -14.757 25601 3946 1 29 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 3947 1 29 . 1 1 47 47 GLY N N 47 123.105 123.105 104.305 18.800 25601 3948 1 29 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 3949 1 29 . 1 1 48 48 CYS N N 48 122.066 122.066 119.709 2.357 25601 3950 1 29 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 3951 1 29 . 1 1 49 49 GLN N N 49 123.249 123.249 121.844 1.405 25601 3952 1 29 . 1 1 49 49 GLN H H 49 8.641 8.641 8.589 0.052 25601 3953 1 29 . 1 1 50 50 LEU N N 50 125.854 125.854 123.630 2.224 25601 3954 1 29 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 3955 1 29 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 3956 1 29 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 3957 1 29 . 1 1 52 52 ASP N N 52 120.548 120.548 123.308 -2.760 25601 3958 1 29 . 1 1 52 52 ASP H H 52 8.166 8.166 8.734 -0.568 25601 3959 1 29 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 3960 1 29 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 3961 1 29 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 3962 1 29 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 3963 1 29 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 3964 1 29 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 3965 1 29 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 3966 1 29 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 3967 1 29 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 3968 1 29 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 3969 1 29 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 3970 1 29 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 3971 1 29 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 3972 1 29 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 3973 1 29 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 3974 1 29 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 3975 1 29 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 3976 1 29 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 3977 1 29 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 3978 1 29 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 3979 1 29 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 3980 1 29 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 3981 1 29 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 3982 1 29 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 3983 1 29 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 3984 1 29 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 3985 1 29 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 3986 1 29 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 3987 1 29 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 3988 1 29 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 3989 1 29 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 3990 1 29 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 3991 1 29 . 1 1 70 70 VAL N N 70 127.016 127.016 121.545 5.471 25601 3992 1 29 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 3993 1 29 . 1 1 71 71 LEU N N 71 123.344 123.344 123.161 0.183 25601 3994 1 29 . 1 1 71 71 LEU H H 71 8.116 8.116 8.387 -0.271 25601 3995 1 29 . 1 1 72 72 ARG N N 72 123.792 123.792 122.285 1.507 25601 3996 1 29 . 1 1 72 72 ARG H H 72 8.624 8.624 8.838 -0.214 25601 3997 1 29 . 1 1 73 73 LEU N N 73 124.467 124.467 122.679 1.788 25601 3998 1 29 . 1 1 73 73 LEU H H 73 8.352 8.352 8.560 -0.208 25601 3999 1 29 . 1 1 74 74 ARG N N 74 122.301 122.301 121.902 0.399 25601 4000 1 29 . 1 1 74 74 ARG H H 74 8.487 8.487 8.505 -0.018 25601 4001 1 29 . 1 1 75 75 GLY N N 75 111.035 111.035 109.561 1.474 25601 4002 1 29 . 1 1 75 75 GLY H H 75 8.568 8.568 7.891 0.677 25601 4003 1 30 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4004 1 30 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4005 1 30 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4006 1 30 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4007 1 30 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4008 1 30 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4009 1 30 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4010 1 30 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4011 1 30 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4012 1 30 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4013 1 30 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4014 1 30 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4015 1 30 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4016 1 30 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4017 1 30 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4018 1 30 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4019 1 30 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4020 1 30 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4021 1 30 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4022 1 30 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4023 1 30 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4024 1 30 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4025 1 30 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4026 1 30 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4027 1 30 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4028 1 30 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4029 1 30 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4030 1 30 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4031 1 30 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4032 1 30 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4033 1 30 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 4034 1 30 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 4035 1 30 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 4036 1 30 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 4037 1 30 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 4038 1 30 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4039 1 30 . 1 1 21 21 ASP N N 21 124.036 124.036 123.532 0.504 25601 4040 1 30 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 4041 1 30 . 1 1 22 22 THR N N 22 109.090 109.090 112.411 -3.321 25601 4042 1 30 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 4043 1 30 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 4044 1 30 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4045 1 30 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 4046 1 30 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 4047 1 30 . 1 1 26 26 VAL N N 26 122.322 122.322 119.074 3.248 25601 4048 1 30 . 1 1 26 26 VAL H H 26 8.123 8.123 7.959 0.164 25601 4049 1 30 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 4050 1 30 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4051 1 30 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 4052 1 30 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4053 1 30 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 4054 1 30 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4055 1 30 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 4056 1 30 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4057 1 30 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4058 1 30 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4059 1 30 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4060 1 30 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4061 1 30 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4062 1 30 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4063 1 30 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 4064 1 30 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 4065 1 30 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 4066 1 30 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 4067 1 30 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 4068 1 30 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 4069 1 30 . 1 1 39 39 ASP N N 39 113.748 113.748 116.593 -2.845 25601 4070 1 30 . 1 1 39 39 ASP H H 39 8.554 8.554 8.931 -0.377 25601 4071 1 30 . 1 1 40 40 GLN N N 40 117.015 117.015 117.676 -0.661 25601 4072 1 30 . 1 1 40 40 GLN H H 40 7.841 7.841 8.018 -0.177 25601 4073 1 30 . 1 1 41 41 GLN N N 41 118.149 118.149 119.859 -1.710 25601 4074 1 30 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 4075 1 30 . 1 1 42 42 ARG N N 42 123.178 123.178 124.083 -0.905 25601 4076 1 30 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 4077 1 30 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 4078 1 30 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 4079 1 30 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 4080 1 30 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4081 1 30 . 1 1 45 45 PHE N N 45 125.152 125.152 124.202 0.950 25601 4082 1 30 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 4083 1 30 . 1 1 46 46 ALA N N 46 112.473 112.473 127.215 -14.742 25601 4084 1 30 . 1 1 46 46 ALA H H 46 8.986 8.986 8.864 0.122 25601 4085 1 30 . 1 1 47 47 GLY N N 47 123.105 123.105 104.224 18.881 25601 4086 1 30 . 1 1 47 47 GLY H H 47 8.094 8.094 8.410 -0.316 25601 4087 1 30 . 1 1 48 48 CYS N N 48 122.066 122.066 119.694 2.372 25601 4088 1 30 . 1 1 48 48 CYS H H 48 8.001 8.001 7.988 0.013 25601 4089 1 30 . 1 1 49 49 GLN N N 49 123.249 123.249 121.942 1.307 25601 4090 1 30 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.052 25601 4091 1 30 . 1 1 50 50 LEU N N 50 125.854 125.854 123.646 2.208 25601 4092 1 30 . 1 1 50 50 LEU H H 50 8.576 8.576 8.567 0.009 25601 4093 1 30 . 1 1 51 51 GLU N N 51 123.307 123.307 121.189 2.118 25601 4094 1 30 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 4095 1 30 . 1 1 52 52 ASP N N 52 120.548 120.548 123.398 -2.850 25601 4096 1 30 . 1 1 52 52 ASP H H 52 8.166 8.166 8.750 -0.584 25601 4097 1 30 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 4098 1 30 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4099 1 30 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 4100 1 30 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4101 1 30 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4102 1 30 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4103 1 30 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4104 1 30 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4105 1 30 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4106 1 30 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4107 1 30 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 4108 1 30 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4109 1 30 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4110 1 30 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4111 1 30 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4112 1 30 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4113 1 30 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4114 1 30 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4115 1 30 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4116 1 30 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4117 1 30 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4118 1 30 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4119 1 30 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4120 1 30 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4121 1 30 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4122 1 30 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4123 1 30 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4124 1 30 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4125 1 30 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4126 1 30 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4127 1 30 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 4128 1 30 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4129 1 30 . 1 1 70 70 VAL N N 70 127.016 127.016 121.507 5.509 25601 4130 1 30 . 1 1 70 70 VAL H H 70 9.197 9.197 8.854 0.343 25601 4131 1 30 . 1 1 71 71 LEU N N 71 123.344 123.344 123.685 -0.341 25601 4132 1 30 . 1 1 71 71 LEU H H 71 8.116 8.116 8.308 -0.192 25601 4133 1 30 . 1 1 72 72 ARG N N 72 123.792 123.792 120.342 3.450 25601 4134 1 30 . 1 1 72 72 ARG H H 72 8.624 8.624 8.733 -0.109 25601 4135 1 30 . 1 1 73 73 LEU N N 73 124.467 124.467 117.485 6.982 25601 4136 1 30 . 1 1 73 73 LEU H H 73 8.352 8.352 8.404 -0.052 25601 4137 1 30 . 1 1 74 74 ARG N N 74 122.301 122.301 116.632 5.669 25601 4138 1 30 . 1 1 74 74 ARG H H 74 8.487 8.487 7.689 0.798 25601 4139 1 30 . 1 1 75 75 GLY N N 75 111.035 111.035 107.199 3.836 25601 4140 1 30 . 1 1 75 75 GLY H H 75 8.568 8.568 8.229 0.339 25601 4141 1 31 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4142 1 31 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4143 1 31 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4144 1 31 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4145 1 31 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4146 1 31 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4147 1 31 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4148 1 31 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4149 1 31 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4150 1 31 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4151 1 31 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4152 1 31 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4153 1 31 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4154 1 31 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4155 1 31 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4156 1 31 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4157 1 31 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4158 1 31 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4159 1 31 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4160 1 31 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4161 1 31 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4162 1 31 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4163 1 31 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4164 1 31 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4165 1 31 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4166 1 31 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4167 1 31 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4168 1 31 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4169 1 31 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4170 1 31 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4171 1 31 . 1 1 17 17 VAL N N 17 117.729 117.729 120.520 -2.791 25601 4172 1 31 . 1 1 17 17 VAL H H 17 8.944 8.944 8.818 0.126 25601 4173 1 31 . 1 1 18 18 GLU N N 18 119.594 119.594 120.493 -0.899 25601 4174 1 31 . 1 1 18 18 GLU H H 18 8.700 8.700 8.225 0.475 25601 4175 1 31 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 4176 1 31 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4177 1 31 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 4178 1 31 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 4179 1 31 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 4180 1 31 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 4181 1 31 . 1 1 23 23 ILE N N 23 121.455 121.455 121.980 -0.525 25601 4182 1 31 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4183 1 31 . 1 1 25 25 CYS N N 25 121.510 121.510 118.050 3.460 25601 4184 1 31 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 4185 1 31 . 1 1 26 26 VAL N N 26 122.322 122.322 119.026 3.296 25601 4186 1 31 . 1 1 26 26 VAL H H 26 8.123 8.123 7.952 0.171 25601 4187 1 31 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 4188 1 31 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4189 1 31 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 4190 1 31 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4191 1 31 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 4192 1 31 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4193 1 31 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 4194 1 31 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4195 1 31 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4196 1 31 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4197 1 31 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4198 1 31 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4199 1 31 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4200 1 31 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4201 1 31 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 4202 1 31 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 4203 1 31 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 4204 1 31 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 4205 1 31 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 4206 1 31 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 4207 1 31 . 1 1 39 39 ASP N N 39 113.748 113.748 116.057 -2.309 25601 4208 1 31 . 1 1 39 39 ASP H H 39 8.554 8.554 8.787 -0.233 25601 4209 1 31 . 1 1 40 40 GLN N N 40 117.015 117.015 117.374 -0.359 25601 4210 1 31 . 1 1 40 40 GLN H H 40 7.841 7.841 7.883 -0.042 25601 4211 1 31 . 1 1 41 41 GLN N N 41 118.149 118.149 119.896 -1.747 25601 4212 1 31 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 4213 1 31 . 1 1 42 42 ARG N N 42 123.178 123.178 124.110 -0.932 25601 4214 1 31 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 4215 1 31 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 4216 1 31 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 4217 1 31 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 4218 1 31 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4219 1 31 . 1 1 45 45 PHE N N 45 125.152 125.152 124.219 0.933 25601 4220 1 31 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 4221 1 31 . 1 1 46 46 ALA N N 46 112.473 112.473 127.234 -14.761 25601 4222 1 31 . 1 1 46 46 ALA H H 46 8.986 8.986 8.877 0.109 25601 4223 1 31 . 1 1 47 47 GLY N N 47 123.105 123.105 104.235 18.870 25601 4224 1 31 . 1 1 47 47 GLY H H 47 8.094 8.094 8.457 -0.363 25601 4225 1 31 . 1 1 48 48 CYS N N 48 122.066 122.066 119.499 2.567 25601 4226 1 31 . 1 1 48 48 CYS H H 48 8.001 8.001 7.968 0.033 25601 4227 1 31 . 1 1 49 49 GLN N N 49 123.249 123.249 123.438 -0.189 25601 4228 1 31 . 1 1 49 49 GLN H H 49 8.641 8.641 8.579 0.062 25601 4229 1 31 . 1 1 50 50 LEU N N 50 125.854 125.854 123.555 2.299 25601 4230 1 31 . 1 1 50 50 LEU H H 50 8.576 8.576 8.573 0.003 25601 4231 1 31 . 1 1 51 51 GLU N N 51 123.307 123.307 121.201 2.106 25601 4232 1 31 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 4233 1 31 . 1 1 52 52 ASP N N 52 120.548 120.548 123.330 -2.782 25601 4234 1 31 . 1 1 52 52 ASP H H 52 8.166 8.166 8.754 -0.588 25601 4235 1 31 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 4236 1 31 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4237 1 31 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 4238 1 31 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4239 1 31 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4240 1 31 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4241 1 31 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4242 1 31 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4243 1 31 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4244 1 31 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4245 1 31 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 4246 1 31 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4247 1 31 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4248 1 31 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4249 1 31 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4250 1 31 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4251 1 31 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4252 1 31 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4253 1 31 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4254 1 31 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4255 1 31 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4256 1 31 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4257 1 31 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4258 1 31 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4259 1 31 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4260 1 31 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4261 1 31 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4262 1 31 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4263 1 31 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4264 1 31 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4265 1 31 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 4266 1 31 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4267 1 31 . 1 1 70 70 VAL N N 70 127.016 127.016 121.534 5.482 25601 4268 1 31 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 4269 1 31 . 1 1 71 71 LEU N N 71 123.344 123.344 122.753 0.591 25601 4270 1 31 . 1 1 71 71 LEU H H 71 8.116 8.116 8.374 -0.258 25601 4271 1 31 . 1 1 72 72 ARG N N 72 123.792 123.792 124.289 -0.497 25601 4272 1 31 . 1 1 72 72 ARG H H 72 8.624 8.624 8.663 -0.039 25601 4273 1 31 . 1 1 73 73 LEU N N 73 124.467 124.467 118.632 5.835 25601 4274 1 31 . 1 1 73 73 LEU H H 73 8.352 8.352 8.153 0.199 25601 4275 1 31 . 1 1 74 74 ARG N N 74 122.301 122.301 118.060 4.241 25601 4276 1 31 . 1 1 74 74 ARG H H 74 8.487 8.487 8.091 0.396 25601 4277 1 31 . 1 1 75 75 GLY N N 75 111.035 111.035 109.007 2.028 25601 4278 1 31 . 1 1 75 75 GLY H H 75 8.568 8.568 8.437 0.131 25601 4279 1 32 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4280 1 32 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4281 1 32 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4282 1 32 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4283 1 32 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4284 1 32 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4285 1 32 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4286 1 32 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4287 1 32 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4288 1 32 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4289 1 32 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4290 1 32 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4291 1 32 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4292 1 32 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4293 1 32 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4294 1 32 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4295 1 32 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4296 1 32 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4297 1 32 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4298 1 32 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4299 1 32 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4300 1 32 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4301 1 32 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4302 1 32 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4303 1 32 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4304 1 32 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4305 1 32 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4306 1 32 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4307 1 32 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4308 1 32 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4309 1 32 . 1 1 17 17 VAL N N 17 117.729 117.729 120.551 -2.822 25601 4310 1 32 . 1 1 17 17 VAL H H 17 8.944 8.944 8.821 0.123 25601 4311 1 32 . 1 1 18 18 GLU N N 18 119.594 119.594 120.419 -0.825 25601 4312 1 32 . 1 1 18 18 GLU H H 18 8.700 8.700 8.240 0.460 25601 4313 1 32 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 4314 1 32 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4315 1 32 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 4316 1 32 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 4317 1 32 . 1 1 22 22 THR N N 22 109.090 109.090 112.417 -3.327 25601 4318 1 32 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 4319 1 32 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 4320 1 32 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4321 1 32 . 1 1 25 25 CYS N N 25 121.510 121.510 117.824 3.686 25601 4322 1 32 . 1 1 25 25 CYS H H 25 7.940 7.940 7.897 0.043 25601 4323 1 32 . 1 1 26 26 VAL N N 26 122.322 122.322 119.631 2.691 25601 4324 1 32 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 4325 1 32 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 4326 1 32 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4327 1 32 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 4328 1 32 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4329 1 32 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 4330 1 32 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4331 1 32 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 4332 1 32 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4333 1 32 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4334 1 32 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4335 1 32 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4336 1 32 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4337 1 32 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4338 1 32 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4339 1 32 . 1 1 34 34 GLU N N 34 114.495 114.495 118.829 -4.334 25601 4340 1 32 . 1 1 34 34 GLU H H 34 8.740 8.740 8.177 0.563 25601 4341 1 32 . 1 1 35 35 GLY N N 35 108.947 108.947 108.023 0.924 25601 4342 1 32 . 1 1 35 35 GLY H H 35 8.502 8.502 7.880 0.622 25601 4343 1 32 . 1 1 36 36 ILE N N 36 120.438 120.438 120.370 0.068 25601 4344 1 32 . 1 1 36 36 ILE H H 36 6.186 6.186 7.686 -1.500 25601 4345 1 32 . 1 1 39 39 ASP N N 39 113.748 113.748 116.250 -2.502 25601 4346 1 32 . 1 1 39 39 ASP H H 39 8.554 8.554 8.856 -0.302 25601 4347 1 32 . 1 1 40 40 GLN N N 40 117.015 117.015 117.387 -0.372 25601 4348 1 32 . 1 1 40 40 GLN H H 40 7.841 7.841 7.939 -0.098 25601 4349 1 32 . 1 1 41 41 GLN N N 41 118.149 118.149 119.895 -1.746 25601 4350 1 32 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 4351 1 32 . 1 1 42 42 ARG N N 42 123.178 123.178 124.078 -0.900 25601 4352 1 32 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 4353 1 32 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 4354 1 32 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 4355 1 32 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 4356 1 32 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4357 1 32 . 1 1 45 45 PHE N N 45 125.152 125.152 124.222 0.930 25601 4358 1 32 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 4359 1 32 . 1 1 46 46 ALA N N 46 112.473 112.473 127.236 -14.763 25601 4360 1 32 . 1 1 46 46 ALA H H 46 8.986 8.986 8.877 0.109 25601 4361 1 32 . 1 1 47 47 GLY N N 47 123.105 123.105 104.238 18.867 25601 4362 1 32 . 1 1 47 47 GLY H H 47 8.094 8.094 8.462 -0.368 25601 4363 1 32 . 1 1 48 48 CYS N N 48 122.066 122.066 119.503 2.563 25601 4364 1 32 . 1 1 48 48 CYS H H 48 8.001 8.001 7.964 0.037 25601 4365 1 32 . 1 1 49 49 GLN N N 49 123.249 123.249 123.493 -0.244 25601 4366 1 32 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 4367 1 32 . 1 1 50 50 LEU N N 50 125.854 125.854 123.583 2.271 25601 4368 1 32 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 4369 1 32 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 4370 1 32 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 4371 1 32 . 1 1 52 52 ASP N N 52 120.548 120.548 125.147 -4.599 25601 4372 1 32 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 4373 1 32 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 4374 1 32 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4375 1 32 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 4376 1 32 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4377 1 32 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4378 1 32 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4379 1 32 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4380 1 32 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4381 1 32 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4382 1 32 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4383 1 32 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 4384 1 32 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4385 1 32 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4386 1 32 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4387 1 32 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4388 1 32 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4389 1 32 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4390 1 32 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4391 1 32 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4392 1 32 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4393 1 32 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4394 1 32 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4395 1 32 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4396 1 32 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4397 1 32 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4398 1 32 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4399 1 32 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4400 1 32 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4401 1 32 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4402 1 32 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4403 1 32 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 4404 1 32 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4405 1 32 . 1 1 70 70 VAL N N 70 127.016 127.016 121.515 5.501 25601 4406 1 32 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 4407 1 32 . 1 1 71 71 LEU N N 71 123.344 123.344 123.855 -0.511 25601 4408 1 32 . 1 1 71 71 LEU H H 71 8.116 8.116 8.334 -0.218 25601 4409 1 32 . 1 1 72 72 ARG N N 72 123.792 123.792 120.099 3.693 25601 4410 1 32 . 1 1 72 72 ARG H H 72 8.624 8.624 8.717 -0.093 25601 4411 1 32 . 1 1 73 73 LEU N N 73 124.467 124.467 118.210 6.257 25601 4412 1 32 . 1 1 73 73 LEU H H 73 8.352 8.352 8.478 -0.126 25601 4413 1 32 . 1 1 74 74 ARG N N 74 122.301 122.301 119.409 2.892 25601 4414 1 32 . 1 1 74 74 ARG H H 74 8.487 8.487 8.255 0.232 25601 4415 1 32 . 1 1 75 75 GLY N N 75 111.035 111.035 108.123 2.912 25601 4416 1 32 . 1 1 75 75 GLY H H 75 8.568 8.568 8.255 0.313 25601 4417 1 33 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4418 1 33 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4419 1 33 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4420 1 33 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4421 1 33 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4422 1 33 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4423 1 33 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4424 1 33 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4425 1 33 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4426 1 33 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4427 1 33 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4428 1 33 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4429 1 33 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4430 1 33 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4431 1 33 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4432 1 33 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4433 1 33 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4434 1 33 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4435 1 33 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4436 1 33 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4437 1 33 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4438 1 33 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4439 1 33 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4440 1 33 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4441 1 33 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4442 1 33 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4443 1 33 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4444 1 33 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4445 1 33 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4446 1 33 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4447 1 33 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 4448 1 33 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 4449 1 33 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 4450 1 33 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 4451 1 33 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 4452 1 33 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4453 1 33 . 1 1 21 21 ASP N N 21 124.036 124.036 123.531 0.505 25601 4454 1 33 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 4455 1 33 . 1 1 22 22 THR N N 22 109.090 109.090 112.414 -3.324 25601 4456 1 33 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 4457 1 33 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 4458 1 33 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4459 1 33 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 4460 1 33 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 4461 1 33 . 1 1 26 26 VAL N N 26 122.322 122.322 119.101 3.221 25601 4462 1 33 . 1 1 26 26 VAL H H 26 8.123 8.123 7.962 0.161 25601 4463 1 33 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 4464 1 33 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4465 1 33 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 4466 1 33 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4467 1 33 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 4468 1 33 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4469 1 33 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 4470 1 33 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4471 1 33 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4472 1 33 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4473 1 33 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4474 1 33 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4475 1 33 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4476 1 33 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4477 1 33 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 4478 1 33 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 4479 1 33 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 4480 1 33 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 4481 1 33 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 4482 1 33 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 4483 1 33 . 1 1 39 39 ASP N N 39 113.748 113.748 116.223 -2.475 25601 4484 1 33 . 1 1 39 39 ASP H H 39 8.554 8.554 8.566 -0.012 25601 4485 1 33 . 1 1 40 40 GLN N N 40 117.015 117.015 117.788 -0.773 25601 4486 1 33 . 1 1 40 40 GLN H H 40 7.841 7.841 7.818 0.023 25601 4487 1 33 . 1 1 41 41 GLN N N 41 118.149 118.149 119.897 -1.748 25601 4488 1 33 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 4489 1 33 . 1 1 42 42 ARG N N 42 123.178 123.178 124.121 -0.943 25601 4490 1 33 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 4491 1 33 . 1 1 43 43 LEU N N 43 124.593 124.593 124.717 -0.124 25601 4492 1 33 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 4493 1 33 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 4494 1 33 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4495 1 33 . 1 1 45 45 PHE N N 45 125.152 125.152 124.202 0.950 25601 4496 1 33 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 4497 1 33 . 1 1 46 46 ALA N N 46 112.473 112.473 127.216 -14.743 25601 4498 1 33 . 1 1 46 46 ALA H H 46 8.986 8.986 8.866 0.120 25601 4499 1 33 . 1 1 47 47 GLY N N 47 123.105 123.105 104.156 18.949 25601 4500 1 33 . 1 1 47 47 GLY H H 47 8.094 8.094 8.463 -0.369 25601 4501 1 33 . 1 1 48 48 CYS N N 48 122.066 122.066 119.512 2.554 25601 4502 1 33 . 1 1 48 48 CYS H H 48 8.001 8.001 7.958 0.043 25601 4503 1 33 . 1 1 49 49 GLN N N 49 123.249 123.249 123.545 -0.296 25601 4504 1 33 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 4505 1 33 . 1 1 50 50 LEU N N 50 125.854 125.854 123.592 2.262 25601 4506 1 33 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 4507 1 33 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 4508 1 33 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 4509 1 33 . 1 1 52 52 ASP N N 52 120.548 120.548 123.413 -2.865 25601 4510 1 33 . 1 1 52 52 ASP H H 52 8.166 8.166 8.741 -0.575 25601 4511 1 33 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 4512 1 33 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4513 1 33 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 4514 1 33 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4515 1 33 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4516 1 33 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4517 1 33 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4518 1 33 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4519 1 33 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4520 1 33 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4521 1 33 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 4522 1 33 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4523 1 33 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4524 1 33 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4525 1 33 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4526 1 33 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4527 1 33 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4528 1 33 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4529 1 33 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4530 1 33 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4531 1 33 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4532 1 33 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4533 1 33 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4534 1 33 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4535 1 33 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4536 1 33 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4537 1 33 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4538 1 33 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4539 1 33 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4540 1 33 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4541 1 33 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 4542 1 33 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4543 1 33 . 1 1 70 70 VAL N N 70 127.016 127.016 121.512 5.504 25601 4544 1 33 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 4545 1 33 . 1 1 71 71 LEU N N 71 123.344 123.344 122.765 0.579 25601 4546 1 33 . 1 1 71 71 LEU H H 71 8.116 8.116 8.352 -0.236 25601 4547 1 33 . 1 1 72 72 ARG N N 72 123.792 123.792 121.412 2.380 25601 4548 1 33 . 1 1 72 72 ARG H H 72 8.624 8.624 8.537 0.087 25601 4549 1 33 . 1 1 73 73 LEU N N 73 124.467 124.467 119.040 5.427 25601 4550 1 33 . 1 1 73 73 LEU H H 73 8.352 8.352 8.544 -0.192 25601 4551 1 33 . 1 1 74 74 ARG N N 74 122.301 122.301 122.350 -0.049 25601 4552 1 33 . 1 1 74 74 ARG H H 74 8.487 8.487 8.782 -0.295 25601 4553 1 33 . 1 1 75 75 GLY N N 75 111.035 111.035 106.819 4.216 25601 4554 1 33 . 1 1 75 75 GLY H H 75 8.568 8.568 7.839 0.729 25601 4555 1 34 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4556 1 34 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4557 1 34 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4558 1 34 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4559 1 34 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4560 1 34 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4561 1 34 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4562 1 34 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4563 1 34 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4564 1 34 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4565 1 34 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4566 1 34 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4567 1 34 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4568 1 34 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4569 1 34 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4570 1 34 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4571 1 34 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4572 1 34 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4573 1 34 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4574 1 34 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4575 1 34 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4576 1 34 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4577 1 34 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4578 1 34 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4579 1 34 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4580 1 34 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4581 1 34 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4582 1 34 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4583 1 34 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4584 1 34 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4585 1 34 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 4586 1 34 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 4587 1 34 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 4588 1 34 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 4589 1 34 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 4590 1 34 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4591 1 34 . 1 1 21 21 ASP N N 21 124.036 124.036 122.725 1.311 25601 4592 1 34 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 4593 1 34 . 1 1 22 22 THR N N 22 109.090 109.090 113.453 -4.363 25601 4594 1 34 . 1 1 22 22 THR H H 22 7.886 7.886 8.312 -0.426 25601 4595 1 34 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 4596 1 34 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4597 1 34 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 4598 1 34 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 4599 1 34 . 1 1 26 26 VAL N N 26 122.322 122.322 119.103 3.219 25601 4600 1 34 . 1 1 26 26 VAL H H 26 8.123 8.123 7.963 0.160 25601 4601 1 34 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 4602 1 34 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4603 1 34 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 4604 1 34 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4605 1 34 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 4606 1 34 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4607 1 34 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 4608 1 34 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4609 1 34 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4610 1 34 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4611 1 34 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4612 1 34 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4613 1 34 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4614 1 34 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4615 1 34 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 4616 1 34 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 4617 1 34 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 4618 1 34 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 4619 1 34 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 4620 1 34 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 4621 1 34 . 1 1 39 39 ASP N N 39 113.748 113.748 116.146 -2.398 25601 4622 1 34 . 1 1 39 39 ASP H H 39 8.554 8.554 8.772 -0.218 25601 4623 1 34 . 1 1 40 40 GLN N N 40 117.015 117.015 117.421 -0.406 25601 4624 1 34 . 1 1 40 40 GLN H H 40 7.841 7.841 7.874 -0.033 25601 4625 1 34 . 1 1 41 41 GLN N N 41 118.149 118.149 119.903 -1.754 25601 4626 1 34 . 1 1 41 41 GLN H H 41 7.494 7.494 7.513 -0.019 25601 4627 1 34 . 1 1 42 42 ARG N N 42 123.178 123.178 124.103 -0.925 25601 4628 1 34 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 4629 1 34 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 4630 1 34 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 4631 1 34 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 4632 1 34 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4633 1 34 . 1 1 45 45 PHE N N 45 125.152 125.152 124.209 0.943 25601 4634 1 34 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 4635 1 34 . 1 1 46 46 ALA N N 46 112.473 112.473 127.223 -14.750 25601 4636 1 34 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 4637 1 34 . 1 1 47 47 GLY N N 47 123.105 123.105 104.181 18.924 25601 4638 1 34 . 1 1 47 47 GLY H H 47 8.094 8.094 8.462 -0.368 25601 4639 1 34 . 1 1 48 48 CYS N N 48 122.066 122.066 119.509 2.557 25601 4640 1 34 . 1 1 48 48 CYS H H 48 8.001 8.001 7.960 0.041 25601 4641 1 34 . 1 1 49 49 GLN N N 49 123.249 123.249 123.530 -0.281 25601 4642 1 34 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 4643 1 34 . 1 1 50 50 LEU N N 50 125.854 125.854 123.594 2.260 25601 4644 1 34 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 4645 1 34 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 4646 1 34 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 4647 1 34 . 1 1 52 52 ASP N N 52 120.548 120.548 123.420 -2.872 25601 4648 1 34 . 1 1 52 52 ASP H H 52 8.166 8.166 8.749 -0.583 25601 4649 1 34 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 4650 1 34 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4651 1 34 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 4652 1 34 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4653 1 34 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4654 1 34 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4655 1 34 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4656 1 34 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4657 1 34 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4658 1 34 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4659 1 34 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 4660 1 34 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4661 1 34 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4662 1 34 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4663 1 34 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4664 1 34 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4665 1 34 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4666 1 34 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4667 1 34 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4668 1 34 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4669 1 34 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4670 1 34 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4671 1 34 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4672 1 34 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4673 1 34 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4674 1 34 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4675 1 34 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4676 1 34 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4677 1 34 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4678 1 34 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4679 1 34 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 4680 1 34 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4681 1 34 . 1 1 70 70 VAL N N 70 127.016 127.016 121.513 5.503 25601 4682 1 34 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 4683 1 34 . 1 1 71 71 LEU N N 71 123.344 123.344 122.519 0.825 25601 4684 1 34 . 1 1 71 71 LEU H H 71 8.116 8.116 8.329 -0.213 25601 4685 1 34 . 1 1 72 72 ARG N N 72 123.792 123.792 122.134 1.658 25601 4686 1 34 . 1 1 72 72 ARG H H 72 8.624 8.624 8.923 -0.299 25601 4687 1 34 . 1 1 73 73 LEU N N 73 124.467 124.467 116.758 7.709 25601 4688 1 34 . 1 1 73 73 LEU H H 73 8.352 8.352 7.943 0.409 25601 4689 1 34 . 1 1 74 74 ARG N N 74 122.301 122.301 121.144 1.157 25601 4690 1 34 . 1 1 74 74 ARG H H 74 8.487 8.487 8.502 -0.015 25601 4691 1 34 . 1 1 75 75 GLY N N 75 111.035 111.035 106.435 4.600 25601 4692 1 34 . 1 1 75 75 GLY H H 75 8.568 8.568 8.245 0.323 25601 4693 1 35 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4694 1 35 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4695 1 35 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4696 1 35 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4697 1 35 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4698 1 35 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4699 1 35 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4700 1 35 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4701 1 35 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4702 1 35 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4703 1 35 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4704 1 35 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4705 1 35 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4706 1 35 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4707 1 35 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4708 1 35 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4709 1 35 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4710 1 35 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4711 1 35 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4712 1 35 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4713 1 35 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4714 1 35 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4715 1 35 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4716 1 35 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4717 1 35 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4718 1 35 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4719 1 35 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4720 1 35 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4721 1 35 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4722 1 35 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4723 1 35 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 4724 1 35 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 4725 1 35 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 4726 1 35 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 4727 1 35 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 4728 1 35 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4729 1 35 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 4730 1 35 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 4731 1 35 . 1 1 22 22 THR N N 22 109.090 109.090 112.418 -3.328 25601 4732 1 35 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 4733 1 35 . 1 1 23 23 ILE N N 23 121.455 121.455 121.980 -0.525 25601 4734 1 35 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4735 1 35 . 1 1 25 25 CYS N N 25 121.510 121.510 117.986 3.524 25601 4736 1 35 . 1 1 25 25 CYS H H 25 7.940 7.940 7.989 -0.049 25601 4737 1 35 . 1 1 26 26 VAL N N 26 122.322 122.322 118.968 3.354 25601 4738 1 35 . 1 1 26 26 VAL H H 26 8.123 8.123 7.934 0.189 25601 4739 1 35 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 4740 1 35 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4741 1 35 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 4742 1 35 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4743 1 35 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 4744 1 35 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4745 1 35 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 4746 1 35 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4747 1 35 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4748 1 35 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4749 1 35 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4750 1 35 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4751 1 35 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4752 1 35 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4753 1 35 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 4754 1 35 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 4755 1 35 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 4756 1 35 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 4757 1 35 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 4758 1 35 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 4759 1 35 . 1 1 39 39 ASP N N 39 113.748 113.748 116.500 -2.752 25601 4760 1 35 . 1 1 39 39 ASP H H 39 8.554 8.554 8.521 0.033 25601 4761 1 35 . 1 1 40 40 GLN N N 40 117.015 117.015 117.799 -0.784 25601 4762 1 35 . 1 1 40 40 GLN H H 40 7.841 7.841 7.858 -0.017 25601 4763 1 35 . 1 1 41 41 GLN N N 41 118.149 118.149 119.869 -1.720 25601 4764 1 35 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 4765 1 35 . 1 1 42 42 ARG N N 42 123.178 123.178 124.140 -0.962 25601 4766 1 35 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 4767 1 35 . 1 1 43 43 LEU N N 43 124.593 124.593 124.717 -0.124 25601 4768 1 35 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 4769 1 35 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 4770 1 35 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4771 1 35 . 1 1 45 45 PHE N N 45 125.152 125.152 124.210 0.942 25601 4772 1 35 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 4773 1 35 . 1 1 46 46 ALA N N 46 112.473 112.473 127.224 -14.751 25601 4774 1 35 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 4775 1 35 . 1 1 47 47 GLY N N 47 123.105 123.105 104.344 18.761 25601 4776 1 35 . 1 1 47 47 GLY H H 47 8.094 8.094 8.419 -0.325 25601 4777 1 35 . 1 1 48 48 CYS N N 48 122.066 122.066 119.722 2.344 25601 4778 1 35 . 1 1 48 48 CYS H H 48 8.001 8.001 7.977 0.024 25601 4779 1 35 . 1 1 49 49 GLN N N 49 123.249 123.249 121.597 1.652 25601 4780 1 35 . 1 1 49 49 GLN H H 49 8.641 8.641 8.592 0.049 25601 4781 1 35 . 1 1 50 50 LEU N N 50 125.854 125.854 123.628 2.226 25601 4782 1 35 . 1 1 50 50 LEU H H 50 8.576 8.576 8.569 0.008 25601 4783 1 35 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 4784 1 35 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 4785 1 35 . 1 1 52 52 ASP N N 52 120.548 120.548 125.142 -4.594 25601 4786 1 35 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 4787 1 35 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 4788 1 35 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4789 1 35 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 4790 1 35 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4791 1 35 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4792 1 35 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4793 1 35 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4794 1 35 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4795 1 35 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4796 1 35 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4797 1 35 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 4798 1 35 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4799 1 35 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4800 1 35 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4801 1 35 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4802 1 35 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4803 1 35 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4804 1 35 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4805 1 35 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4806 1 35 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4807 1 35 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4808 1 35 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4809 1 35 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4810 1 35 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4811 1 35 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4812 1 35 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4813 1 35 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4814 1 35 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4815 1 35 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4816 1 35 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4817 1 35 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 4818 1 35 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4819 1 35 . 1 1 70 70 VAL N N 70 127.016 127.016 121.520 5.496 25601 4820 1 35 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 4821 1 35 . 1 1 71 71 LEU N N 71 123.344 123.344 122.857 0.487 25601 4822 1 35 . 1 1 71 71 LEU H H 71 8.116 8.116 8.365 -0.249 25601 4823 1 35 . 1 1 72 72 ARG N N 72 123.792 123.792 123.523 0.269 25601 4824 1 35 . 1 1 72 72 ARG H H 72 8.624 8.624 8.496 0.128 25601 4825 1 35 . 1 1 73 73 LEU N N 73 124.467 124.467 119.957 4.510 25601 4826 1 35 . 1 1 73 73 LEU H H 73 8.352 8.352 8.162 0.190 25601 4827 1 35 . 1 1 74 74 ARG N N 74 122.301 122.301 120.575 1.726 25601 4828 1 35 . 1 1 74 74 ARG H H 74 8.487 8.487 8.113 0.374 25601 4829 1 35 . 1 1 75 75 GLY N N 75 111.035 111.035 107.570 3.465 25601 4830 1 35 . 1 1 75 75 GLY H H 75 8.568 8.568 7.888 0.680 25601 4831 1 36 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4832 1 36 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4833 1 36 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4834 1 36 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4835 1 36 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4836 1 36 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4837 1 36 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4838 1 36 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4839 1 36 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4840 1 36 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4841 1 36 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4842 1 36 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4843 1 36 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4844 1 36 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4845 1 36 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4846 1 36 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4847 1 36 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4848 1 36 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4849 1 36 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4850 1 36 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4851 1 36 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4852 1 36 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4853 1 36 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4854 1 36 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4855 1 36 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4856 1 36 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4857 1 36 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4858 1 36 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4859 1 36 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4860 1 36 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4861 1 36 . 1 1 17 17 VAL N N 17 117.729 117.729 120.511 -2.782 25601 4862 1 36 . 1 1 17 17 VAL H H 17 8.944 8.944 8.817 0.127 25601 4863 1 36 . 1 1 18 18 GLU N N 18 119.594 119.594 120.513 -0.919 25601 4864 1 36 . 1 1 18 18 GLU H H 18 8.700 8.700 8.221 0.479 25601 4865 1 36 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 4866 1 36 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 4867 1 36 . 1 1 21 21 ASP N N 21 124.036 124.036 123.528 0.508 25601 4868 1 36 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 4869 1 36 . 1 1 22 22 THR N N 22 109.090 109.090 112.421 -3.331 25601 4870 1 36 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 4871 1 36 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 4872 1 36 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 4873 1 36 . 1 1 25 25 CYS N N 25 121.510 121.510 117.852 3.658 25601 4874 1 36 . 1 1 25 25 CYS H H 25 7.940 7.940 7.904 0.036 25601 4875 1 36 . 1 1 26 26 VAL N N 26 122.322 122.322 119.545 2.777 25601 4876 1 36 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 4877 1 36 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 4878 1 36 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 4879 1 36 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 4880 1 36 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 4881 1 36 . 1 1 29 29 LYS N N 29 120.388 120.388 118.643 1.745 25601 4882 1 36 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 4883 1 36 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 4884 1 36 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 4885 1 36 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 4886 1 36 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 4887 1 36 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 4888 1 36 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 4889 1 36 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 4890 1 36 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 4891 1 36 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 4892 1 36 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 4893 1 36 . 1 1 35 35 GLY N N 35 108.947 108.947 107.297 1.650 25601 4894 1 36 . 1 1 35 35 GLY H H 35 8.502 8.502 8.225 0.277 25601 4895 1 36 . 1 1 36 36 ILE N N 36 120.438 120.438 120.392 0.046 25601 4896 1 36 . 1 1 36 36 ILE H H 36 6.186 6.186 7.674 -1.488 25601 4897 1 36 . 1 1 39 39 ASP N N 39 113.748 113.748 116.305 -2.557 25601 4898 1 36 . 1 1 39 39 ASP H H 39 8.554 8.554 8.764 -0.210 25601 4899 1 36 . 1 1 40 40 GLN N N 40 117.015 117.015 117.336 -0.321 25601 4900 1 36 . 1 1 40 40 GLN H H 40 7.841 7.841 7.865 -0.024 25601 4901 1 36 . 1 1 41 41 GLN N N 41 118.149 118.149 119.873 -1.724 25601 4902 1 36 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 4903 1 36 . 1 1 42 42 ARG N N 42 123.178 123.178 124.112 -0.934 25601 4904 1 36 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 4905 1 36 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 4906 1 36 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 4907 1 36 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 4908 1 36 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 4909 1 36 . 1 1 45 45 PHE N N 45 125.152 125.152 124.207 0.945 25601 4910 1 36 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 4911 1 36 . 1 1 46 46 ALA N N 46 112.473 112.473 127.222 -14.749 25601 4912 1 36 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 4913 1 36 . 1 1 47 47 GLY N N 47 123.105 123.105 104.415 18.690 25601 4914 1 36 . 1 1 47 47 GLY H H 47 8.094 8.094 8.431 -0.337 25601 4915 1 36 . 1 1 48 48 CYS N N 48 122.066 122.066 119.672 2.394 25601 4916 1 36 . 1 1 48 48 CYS H H 48 8.001 8.001 7.963 0.038 25601 4917 1 36 . 1 1 49 49 GLN N N 49 123.249 123.249 121.411 1.838 25601 4918 1 36 . 1 1 49 49 GLN H H 49 8.641 8.641 8.593 0.048 25601 4919 1 36 . 1 1 50 50 LEU N N 50 125.854 125.854 123.596 2.258 25601 4920 1 36 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 4921 1 36 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 4922 1 36 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 4923 1 36 . 1 1 52 52 ASP N N 52 120.548 120.548 125.145 -4.597 25601 4924 1 36 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 4925 1 36 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 4926 1 36 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 4927 1 36 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 4928 1 36 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 4929 1 36 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 4930 1 36 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 4931 1 36 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 4932 1 36 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 4933 1 36 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 4934 1 36 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 4935 1 36 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 4936 1 36 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 4937 1 36 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 4938 1 36 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 4939 1 36 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 4940 1 36 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 4941 1 36 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 4942 1 36 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 4943 1 36 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 4944 1 36 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 4945 1 36 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 4946 1 36 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 4947 1 36 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 4948 1 36 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 4949 1 36 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 4950 1 36 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 4951 1 36 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 4952 1 36 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 4953 1 36 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 4954 1 36 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 4955 1 36 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 4956 1 36 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 4957 1 36 . 1 1 70 70 VAL N N 70 127.016 127.016 121.521 5.495 25601 4958 1 36 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 4959 1 36 . 1 1 71 71 LEU N N 71 123.344 123.344 123.270 0.074 25601 4960 1 36 . 1 1 71 71 LEU H H 71 8.116 8.116 8.405 -0.289 25601 4961 1 36 . 1 1 72 72 ARG N N 72 123.792 123.792 122.376 1.416 25601 4962 1 36 . 1 1 72 72 ARG H H 72 8.624 8.624 8.767 -0.143 25601 4963 1 36 . 1 1 73 73 LEU N N 73 124.467 124.467 118.126 6.341 25601 4964 1 36 . 1 1 73 73 LEU H H 73 8.352 8.352 8.423 -0.071 25601 4965 1 36 . 1 1 74 74 ARG N N 74 122.301 122.301 122.008 0.293 25601 4966 1 36 . 1 1 74 74 ARG H H 74 8.487 8.487 8.777 -0.290 25601 4967 1 36 . 1 1 75 75 GLY N N 75 111.035 111.035 107.993 3.042 25601 4968 1 36 . 1 1 75 75 GLY H H 75 8.568 8.568 8.077 0.491 25601 4969 1 37 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 4970 1 37 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 4971 1 37 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4972 1 37 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 4973 1 37 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 4974 1 37 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 4975 1 37 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 4976 1 37 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 4977 1 37 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 4978 1 37 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 4979 1 37 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 4980 1 37 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 4981 1 37 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 4982 1 37 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 4983 1 37 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 4984 1 37 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 4985 1 37 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 4986 1 37 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 4987 1 37 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 4988 1 37 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 4989 1 37 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 4990 1 37 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 4991 1 37 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 4992 1 37 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 4993 1 37 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 4994 1 37 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 4995 1 37 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 4996 1 37 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 4997 1 37 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 4998 1 37 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 4999 1 37 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 5000 1 37 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 5001 1 37 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 5002 1 37 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 5003 1 37 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 5004 1 37 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5005 1 37 . 1 1 21 21 ASP N N 21 124.036 124.036 122.761 1.275 25601 5006 1 37 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 5007 1 37 . 1 1 22 22 THR N N 22 109.090 109.090 113.380 -4.290 25601 5008 1 37 . 1 1 22 22 THR H H 22 7.886 7.886 8.321 -0.435 25601 5009 1 37 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 5010 1 37 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5011 1 37 . 1 1 25 25 CYS N N 25 121.510 121.510 117.959 3.551 25601 5012 1 37 . 1 1 25 25 CYS H H 25 7.940 7.940 7.983 -0.043 25601 5013 1 37 . 1 1 26 26 VAL N N 26 122.322 122.322 119.351 2.971 25601 5014 1 37 . 1 1 26 26 VAL H H 26 8.123 8.123 7.984 0.139 25601 5015 1 37 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 5016 1 37 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5017 1 37 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 5018 1 37 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5019 1 37 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 5020 1 37 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5021 1 37 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 5022 1 37 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5023 1 37 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5024 1 37 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5025 1 37 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5026 1 37 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5027 1 37 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5028 1 37 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5029 1 37 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5030 1 37 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5031 1 37 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5032 1 37 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5033 1 37 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 5034 1 37 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 5035 1 37 . 1 1 39 39 ASP N N 39 113.748 113.748 116.721 -2.973 25601 5036 1 37 . 1 1 39 39 ASP H H 39 8.554 8.554 8.890 -0.336 25601 5037 1 37 . 1 1 40 40 GLN N N 40 117.015 117.015 117.508 -0.493 25601 5038 1 37 . 1 1 40 40 GLN H H 40 7.841 7.841 7.968 -0.127 25601 5039 1 37 . 1 1 41 41 GLN N N 41 118.149 118.149 119.821 -1.672 25601 5040 1 37 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 5041 1 37 . 1 1 42 42 ARG N N 42 123.178 123.178 124.126 -0.948 25601 5042 1 37 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 5043 1 37 . 1 1 43 43 LEU N N 43 124.593 124.593 124.725 -0.132 25601 5044 1 37 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 5045 1 37 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 5046 1 37 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 5047 1 37 . 1 1 45 45 PHE N N 45 125.152 125.152 124.224 0.928 25601 5048 1 37 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5049 1 37 . 1 1 46 46 ALA N N 46 112.473 112.473 127.237 -14.764 25601 5050 1 37 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 5051 1 37 . 1 1 47 47 GLY N N 47 123.105 123.105 104.281 18.824 25601 5052 1 37 . 1 1 47 47 GLY H H 47 8.094 8.094 8.417 -0.323 25601 5053 1 37 . 1 1 48 48 CYS N N 48 122.066 122.066 119.639 2.427 25601 5054 1 37 . 1 1 48 48 CYS H H 48 8.001 8.001 7.992 0.009 25601 5055 1 37 . 1 1 49 49 GLN N N 49 123.249 123.249 122.225 1.024 25601 5056 1 37 . 1 1 49 49 GLN H H 49 8.641 8.641 8.585 0.056 25601 5057 1 37 . 1 1 50 50 LEU N N 50 125.854 125.854 123.620 2.234 25601 5058 1 37 . 1 1 50 50 LEU H H 50 8.576 8.576 8.569 0.007 25601 5059 1 37 . 1 1 51 51 GLU N N 51 123.307 123.307 121.194 2.113 25601 5060 1 37 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 5061 1 37 . 1 1 52 52 ASP N N 52 120.548 120.548 123.566 -3.018 25601 5062 1 37 . 1 1 52 52 ASP H H 52 8.166 8.166 8.767 -0.601 25601 5063 1 37 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 5064 1 37 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5065 1 37 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 5066 1 37 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5067 1 37 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5068 1 37 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5069 1 37 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5070 1 37 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5071 1 37 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5072 1 37 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5073 1 37 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 5074 1 37 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5075 1 37 . 1 1 60 60 ASN N N 60 116.048 116.048 115.854 0.194 25601 5076 1 37 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5077 1 37 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5078 1 37 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5079 1 37 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5080 1 37 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5081 1 37 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5082 1 37 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5083 1 37 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5084 1 37 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5085 1 37 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5086 1 37 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5087 1 37 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5088 1 37 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5089 1 37 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5090 1 37 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5091 1 37 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5092 1 37 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5093 1 37 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 5094 1 37 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5095 1 37 . 1 1 70 70 VAL N N 70 127.016 127.016 121.532 5.484 25601 5096 1 37 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 5097 1 37 . 1 1 71 71 LEU N N 71 123.344 123.344 123.367 -0.023 25601 5098 1 37 . 1 1 71 71 LEU H H 71 8.116 8.116 8.380 -0.264 25601 5099 1 37 . 1 1 72 72 ARG N N 72 123.792 123.792 122.406 1.386 25601 5100 1 37 . 1 1 72 72 ARG H H 72 8.624 8.624 8.738 -0.114 25601 5101 1 37 . 1 1 73 73 LEU N N 73 124.467 124.467 122.113 2.354 25601 5102 1 37 . 1 1 73 73 LEU H H 73 8.352 8.352 8.523 -0.171 25601 5103 1 37 . 1 1 74 74 ARG N N 74 122.301 122.301 120.957 1.344 25601 5104 1 37 . 1 1 74 74 ARG H H 74 8.487 8.487 8.166 0.321 25601 5105 1 37 . 1 1 75 75 GLY N N 75 111.035 111.035 106.565 4.470 25601 5106 1 37 . 1 1 75 75 GLY H H 75 8.568 8.568 7.635 0.933 25601 5107 1 38 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5108 1 38 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5109 1 38 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5110 1 38 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5111 1 38 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5112 1 38 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5113 1 38 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5114 1 38 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5115 1 38 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5116 1 38 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5117 1 38 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5118 1 38 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5119 1 38 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5120 1 38 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5121 1 38 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5122 1 38 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5123 1 38 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5124 1 38 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5125 1 38 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5126 1 38 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5127 1 38 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5128 1 38 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5129 1 38 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5130 1 38 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5131 1 38 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5132 1 38 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5133 1 38 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5134 1 38 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5135 1 38 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5136 1 38 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5137 1 38 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 5138 1 38 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 5139 1 38 . 1 1 18 18 GLU N N 18 119.594 119.594 120.110 -0.516 25601 5140 1 38 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 5141 1 38 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 5142 1 38 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5143 1 38 . 1 1 21 21 ASP N N 21 124.036 124.036 122.761 1.275 25601 5144 1 38 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 5145 1 38 . 1 1 22 22 THR N N 22 109.090 109.090 113.386 -4.296 25601 5146 1 38 . 1 1 22 22 THR H H 22 7.886 7.886 8.320 -0.434 25601 5147 1 38 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 5148 1 38 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5149 1 38 . 1 1 25 25 CYS N N 25 121.510 121.510 117.960 3.550 25601 5150 1 38 . 1 1 25 25 CYS H H 25 7.940 7.940 7.983 -0.043 25601 5151 1 38 . 1 1 26 26 VAL N N 26 122.322 122.322 119.349 2.973 25601 5152 1 38 . 1 1 26 26 VAL H H 26 8.123 8.123 7.984 0.139 25601 5153 1 38 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 5154 1 38 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5155 1 38 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5156 1 38 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5157 1 38 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 5158 1 38 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5159 1 38 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5160 1 38 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5161 1 38 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5162 1 38 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5163 1 38 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5164 1 38 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5165 1 38 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5166 1 38 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5167 1 38 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5168 1 38 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5169 1 38 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5170 1 38 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5171 1 38 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 5172 1 38 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 5173 1 38 . 1 1 39 39 ASP N N 39 113.748 113.748 117.243 -3.495 25601 5174 1 38 . 1 1 39 39 ASP H H 39 8.554 8.554 8.540 0.014 25601 5175 1 38 . 1 1 40 40 GLN N N 40 117.015 117.015 117.251 -0.236 25601 5176 1 38 . 1 1 40 40 GLN H H 40 7.841 7.841 7.907 -0.066 25601 5177 1 38 . 1 1 41 41 GLN N N 41 118.149 118.149 119.862 -1.713 25601 5178 1 38 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 5179 1 38 . 1 1 42 42 ARG N N 42 123.178 123.178 124.048 -0.870 25601 5180 1 38 . 1 1 42 42 ARG H H 42 8.514 8.514 8.633 -0.119 25601 5181 1 38 . 1 1 43 43 LEU N N 43 124.593 124.593 124.735 -0.142 25601 5182 1 38 . 1 1 43 43 LEU H H 43 8.818 8.818 8.729 0.089 25601 5183 1 38 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 5184 1 38 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 5185 1 38 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 5186 1 38 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5187 1 38 . 1 1 46 46 ALA N N 46 112.473 112.473 127.230 -14.757 25601 5188 1 38 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 5189 1 38 . 1 1 47 47 GLY N N 47 123.105 123.105 104.305 18.800 25601 5190 1 38 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 5191 1 38 . 1 1 48 48 CYS N N 48 122.066 122.066 119.709 2.357 25601 5192 1 38 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 5193 1 38 . 1 1 49 49 GLN N N 49 123.249 123.249 121.844 1.405 25601 5194 1 38 . 1 1 49 49 GLN H H 49 8.641 8.641 8.589 0.052 25601 5195 1 38 . 1 1 50 50 LEU N N 50 125.854 125.854 123.638 2.216 25601 5196 1 38 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 5197 1 38 . 1 1 51 51 GLU N N 51 123.307 123.307 121.191 2.116 25601 5198 1 38 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 5199 1 38 . 1 1 52 52 ASP N N 52 120.548 120.548 125.141 -4.593 25601 5200 1 38 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 5201 1 38 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 5202 1 38 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5203 1 38 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 5204 1 38 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5205 1 38 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5206 1 38 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5207 1 38 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5208 1 38 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5209 1 38 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5210 1 38 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5211 1 38 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 5212 1 38 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5213 1 38 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 5214 1 38 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5215 1 38 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5216 1 38 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5217 1 38 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5218 1 38 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5219 1 38 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5220 1 38 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5221 1 38 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5222 1 38 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5223 1 38 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5224 1 38 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5225 1 38 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5226 1 38 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5227 1 38 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5228 1 38 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5229 1 38 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5230 1 38 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5231 1 38 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 5232 1 38 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5233 1 38 . 1 1 70 70 VAL N N 70 127.016 127.016 121.534 5.482 25601 5234 1 38 . 1 1 70 70 VAL H H 70 9.197 9.197 8.865 0.332 25601 5235 1 38 . 1 1 71 71 LEU N N 71 123.344 123.344 123.362 -0.018 25601 5236 1 38 . 1 1 71 71 LEU H H 71 8.116 8.116 8.444 -0.328 25601 5237 1 38 . 1 1 72 72 ARG N N 72 123.792 123.792 122.173 1.619 25601 5238 1 38 . 1 1 72 72 ARG H H 72 8.624 8.624 8.593 0.031 25601 5239 1 38 . 1 1 73 73 LEU N N 73 124.467 124.467 119.158 5.309 25601 5240 1 38 . 1 1 73 73 LEU H H 73 8.352 8.352 8.370 -0.018 25601 5241 1 38 . 1 1 74 74 ARG N N 74 122.301 122.301 120.305 1.996 25601 5242 1 38 . 1 1 74 74 ARG H H 74 8.487 8.487 7.867 0.620 25601 5243 1 38 . 1 1 75 75 GLY N N 75 111.035 111.035 110.627 0.408 25601 5244 1 38 . 1 1 75 75 GLY H H 75 8.568 8.568 8.540 0.028 25601 5245 1 39 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5246 1 39 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5247 1 39 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5248 1 39 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5249 1 39 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5250 1 39 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5251 1 39 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5252 1 39 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5253 1 39 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5254 1 39 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5255 1 39 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5256 1 39 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5257 1 39 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5258 1 39 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5259 1 39 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5260 1 39 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5261 1 39 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5262 1 39 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5263 1 39 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5264 1 39 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5265 1 39 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5266 1 39 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5267 1 39 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5268 1 39 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5269 1 39 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5270 1 39 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5271 1 39 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5272 1 39 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5273 1 39 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5274 1 39 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5275 1 39 . 1 1 17 17 VAL N N 17 117.729 117.729 120.538 -2.809 25601 5276 1 39 . 1 1 17 17 VAL H H 17 8.944 8.944 8.820 0.124 25601 5277 1 39 . 1 1 18 18 GLU N N 18 119.594 119.594 120.452 -0.858 25601 5278 1 39 . 1 1 18 18 GLU H H 18 8.700 8.700 8.233 0.467 25601 5279 1 39 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 5280 1 39 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5281 1 39 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 5282 1 39 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 5283 1 39 . 1 1 22 22 THR N N 22 109.090 109.090 112.417 -3.327 25601 5284 1 39 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 5285 1 39 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 5286 1 39 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5287 1 39 . 1 1 25 25 CYS N N 25 121.510 121.510 117.834 3.676 25601 5288 1 39 . 1 1 25 25 CYS H H 25 7.940 7.940 7.900 0.040 25601 5289 1 39 . 1 1 26 26 VAL N N 26 122.322 122.322 119.601 2.721 25601 5290 1 39 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 5291 1 39 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 5292 1 39 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5293 1 39 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5294 1 39 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5295 1 39 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 5296 1 39 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5297 1 39 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5298 1 39 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5299 1 39 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5300 1 39 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5301 1 39 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5302 1 39 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5303 1 39 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5304 1 39 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5305 1 39 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5306 1 39 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5307 1 39 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5308 1 39 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5309 1 39 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 5310 1 39 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 5311 1 39 . 1 1 39 39 ASP N N 39 113.748 113.748 116.277 -2.529 25601 5312 1 39 . 1 1 39 39 ASP H H 39 8.554 8.554 8.879 -0.325 25601 5313 1 39 . 1 1 40 40 GLN N N 40 117.015 117.015 117.659 -0.644 25601 5314 1 39 . 1 1 40 40 GLN H H 40 7.841 7.841 7.931 -0.090 25601 5315 1 39 . 1 1 41 41 GLN N N 41 118.149 118.149 119.826 -1.677 25601 5316 1 39 . 1 1 41 41 GLN H H 41 7.494 7.494 7.505 -0.011 25601 5317 1 39 . 1 1 42 42 ARG N N 42 123.178 123.178 124.062 -0.884 25601 5318 1 39 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 5319 1 39 . 1 1 43 43 LEU N N 43 124.593 124.593 124.737 -0.144 25601 5320 1 39 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 5321 1 39 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 5322 1 39 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 5323 1 39 . 1 1 45 45 PHE N N 45 125.152 125.152 124.212 0.940 25601 5324 1 39 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5325 1 39 . 1 1 46 46 ALA N N 46 112.473 112.473 127.227 -14.754 25601 5326 1 39 . 1 1 46 46 ALA H H 46 8.986 8.986 8.873 0.113 25601 5327 1 39 . 1 1 47 47 GLY N N 47 123.105 123.105 104.207 18.898 25601 5328 1 39 . 1 1 47 47 GLY H H 47 8.094 8.094 8.428 -0.334 25601 5329 1 39 . 1 1 48 48 CYS N N 48 122.066 122.066 119.530 2.536 25601 5330 1 39 . 1 1 48 48 CYS H H 48 8.001 8.001 7.986 0.015 25601 5331 1 39 . 1 1 49 49 GLN N N 49 123.249 123.249 122.846 0.403 25601 5332 1 39 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 5333 1 39 . 1 1 50 50 LEU N N 50 125.854 125.854 123.570 2.284 25601 5334 1 39 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 5335 1 39 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 5336 1 39 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 5337 1 39 . 1 1 52 52 ASP N N 52 120.548 120.548 125.149 -4.601 25601 5338 1 39 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 5339 1 39 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 5340 1 39 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5341 1 39 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 5342 1 39 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5343 1 39 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5344 1 39 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5345 1 39 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5346 1 39 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5347 1 39 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5348 1 39 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5349 1 39 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 5350 1 39 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5351 1 39 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 5352 1 39 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5353 1 39 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5354 1 39 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5355 1 39 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5356 1 39 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5357 1 39 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5358 1 39 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5359 1 39 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5360 1 39 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5361 1 39 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5362 1 39 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5363 1 39 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5364 1 39 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5365 1 39 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5366 1 39 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5367 1 39 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5368 1 39 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5369 1 39 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 5370 1 39 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5371 1 39 . 1 1 70 70 VAL N N 70 127.016 127.016 121.534 5.482 25601 5372 1 39 . 1 1 70 70 VAL H H 70 9.197 9.197 8.855 0.342 25601 5373 1 39 . 1 1 71 71 LEU N N 71 123.344 123.344 123.170 0.174 25601 5374 1 39 . 1 1 71 71 LEU H H 71 8.116 8.116 8.409 -0.293 25601 5375 1 39 . 1 1 72 72 ARG N N 72 123.792 123.792 122.066 1.726 25601 5376 1 39 . 1 1 72 72 ARG H H 72 8.624 8.624 8.791 -0.167 25601 5377 1 39 . 1 1 73 73 LEU N N 73 124.467 124.467 118.668 5.799 25601 5378 1 39 . 1 1 73 73 LEU H H 73 8.352 8.352 8.338 0.014 25601 5379 1 39 . 1 1 74 74 ARG N N 74 122.301 122.301 119.624 2.677 25601 5380 1 39 . 1 1 74 74 ARG H H 74 8.487 8.487 8.149 0.338 25601 5381 1 39 . 1 1 75 75 GLY N N 75 111.035 111.035 108.007 3.028 25601 5382 1 39 . 1 1 75 75 GLY H H 75 8.568 8.568 8.439 0.129 25601 5383 1 40 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5384 1 40 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5385 1 40 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5386 1 40 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5387 1 40 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5388 1 40 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5389 1 40 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5390 1 40 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5391 1 40 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5392 1 40 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5393 1 40 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5394 1 40 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5395 1 40 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5396 1 40 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5397 1 40 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5398 1 40 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5399 1 40 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5400 1 40 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5401 1 40 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5402 1 40 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5403 1 40 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5404 1 40 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5405 1 40 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5406 1 40 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5407 1 40 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5408 1 40 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5409 1 40 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5410 1 40 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5411 1 40 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5412 1 40 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5413 1 40 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 5414 1 40 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 5415 1 40 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 5416 1 40 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 5417 1 40 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 5418 1 40 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5419 1 40 . 1 1 21 21 ASP N N 21 124.036 124.036 122.746 1.290 25601 5420 1 40 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 5421 1 40 . 1 1 22 22 THR N N 22 109.090 109.090 113.417 -4.327 25601 5422 1 40 . 1 1 22 22 THR H H 22 7.886 7.886 8.324 -0.438 25601 5423 1 40 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 5424 1 40 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5425 1 40 . 1 1 25 25 CYS N N 25 121.510 121.510 117.964 3.546 25601 5426 1 40 . 1 1 25 25 CYS H H 25 7.940 7.940 7.975 -0.035 25601 5427 1 40 . 1 1 26 26 VAL N N 26 122.322 122.322 118.996 3.326 25601 5428 1 40 . 1 1 26 26 VAL H H 26 8.123 8.123 7.928 0.195 25601 5429 1 40 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 5430 1 40 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5431 1 40 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5432 1 40 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5433 1 40 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 5434 1 40 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5435 1 40 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5436 1 40 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5437 1 40 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5438 1 40 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5439 1 40 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5440 1 40 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5441 1 40 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5442 1 40 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5443 1 40 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5444 1 40 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5445 1 40 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5446 1 40 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5447 1 40 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 5448 1 40 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 5449 1 40 . 1 1 39 39 ASP N N 39 113.748 113.748 117.169 -3.421 25601 5450 1 40 . 1 1 39 39 ASP H H 39 8.554 8.554 8.438 0.116 25601 5451 1 40 . 1 1 40 40 GLN N N 40 117.015 117.015 117.100 -0.085 25601 5452 1 40 . 1 1 40 40 GLN H H 40 7.841 7.841 7.859 -0.018 25601 5453 1 40 . 1 1 41 41 GLN N N 41 118.149 118.149 119.885 -1.736 25601 5454 1 40 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 5455 1 40 . 1 1 42 42 ARG N N 42 123.178 123.178 124.115 -0.937 25601 5456 1 40 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 5457 1 40 . 1 1 43 43 LEU N N 43 124.593 124.593 124.719 -0.126 25601 5458 1 40 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 5459 1 40 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 5460 1 40 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 5461 1 40 . 1 1 45 45 PHE N N 45 125.152 125.152 124.216 0.936 25601 5462 1 40 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5463 1 40 . 1 1 46 46 ALA N N 46 112.473 112.473 127.230 -14.757 25601 5464 1 40 . 1 1 46 46 ALA H H 46 8.986 8.986 8.873 0.113 25601 5465 1 40 . 1 1 47 47 GLY N N 47 123.105 123.105 104.296 18.809 25601 5466 1 40 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 5467 1 40 . 1 1 48 48 CYS N N 48 122.066 122.066 119.691 2.375 25601 5468 1 40 . 1 1 48 48 CYS H H 48 8.001 8.001 7.989 0.012 25601 5469 1 40 . 1 1 49 49 GLN N N 49 123.249 123.249 121.950 1.299 25601 5470 1 40 . 1 1 49 49 GLN H H 49 8.641 8.641 8.586 0.055 25601 5471 1 40 . 1 1 50 50 LEU N N 50 125.854 125.854 123.593 2.261 25601 5472 1 40 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 5473 1 40 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 5474 1 40 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 5475 1 40 . 1 1 52 52 ASP N N 52 120.548 120.548 123.336 -2.788 25601 5476 1 40 . 1 1 52 52 ASP H H 52 8.166 8.166 8.750 -0.584 25601 5477 1 40 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 5478 1 40 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5479 1 40 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 5480 1 40 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5481 1 40 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5482 1 40 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5483 1 40 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5484 1 40 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5485 1 40 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5486 1 40 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5487 1 40 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 5488 1 40 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5489 1 40 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 5490 1 40 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5491 1 40 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5492 1 40 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5493 1 40 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5494 1 40 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5495 1 40 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5496 1 40 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5497 1 40 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5498 1 40 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5499 1 40 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5500 1 40 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5501 1 40 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5502 1 40 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5503 1 40 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5504 1 40 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5505 1 40 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5506 1 40 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5507 1 40 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 5508 1 40 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5509 1 40 . 1 1 70 70 VAL N N 70 127.016 127.016 121.497 5.519 25601 5510 1 40 . 1 1 70 70 VAL H H 70 9.197 9.197 8.850 0.347 25601 5511 1 40 . 1 1 71 71 LEU N N 71 123.344 123.344 123.333 0.011 25601 5512 1 40 . 1 1 71 71 LEU H H 71 8.116 8.116 8.227 -0.111 25601 5513 1 40 . 1 1 72 72 ARG N N 72 123.792 123.792 120.016 3.776 25601 5514 1 40 . 1 1 72 72 ARG H H 72 8.624 8.624 8.707 -0.083 25601 5515 1 40 . 1 1 73 73 LEU N N 73 124.467 124.467 117.861 6.606 25601 5516 1 40 . 1 1 73 73 LEU H H 73 8.352 8.352 8.525 -0.173 25601 5517 1 40 . 1 1 74 74 ARG N N 74 122.301 122.301 117.547 4.754 25601 5518 1 40 . 1 1 74 74 ARG H H 74 8.487 8.487 7.540 0.947 25601 5519 1 40 . 1 1 75 75 GLY N N 75 111.035 111.035 108.788 2.247 25601 5520 1 40 . 1 1 75 75 GLY H H 75 8.568 8.568 8.191 0.377 25601 5521 1 41 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5522 1 41 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5523 1 41 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5524 1 41 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5525 1 41 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5526 1 41 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5527 1 41 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5528 1 41 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5529 1 41 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5530 1 41 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5531 1 41 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5532 1 41 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5533 1 41 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5534 1 41 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5535 1 41 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5536 1 41 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5537 1 41 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5538 1 41 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5539 1 41 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5540 1 41 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5541 1 41 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5542 1 41 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5543 1 41 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5544 1 41 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5545 1 41 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5546 1 41 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5547 1 41 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5548 1 41 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5549 1 41 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5550 1 41 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5551 1 41 . 1 1 17 17 VAL N N 17 117.729 117.729 120.567 -2.838 25601 5552 1 41 . 1 1 17 17 VAL H H 17 8.944 8.944 8.823 0.121 25601 5553 1 41 . 1 1 18 18 GLU N N 18 119.594 119.594 120.382 -0.788 25601 5554 1 41 . 1 1 18 18 GLU H H 18 8.700 8.700 8.247 0.453 25601 5555 1 41 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 5556 1 41 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5557 1 41 . 1 1 21 21 ASP N N 21 124.036 124.036 122.812 1.224 25601 5558 1 41 . 1 1 21 21 ASP H H 21 8.070 8.070 7.825 0.245 25601 5559 1 41 . 1 1 22 22 THR N N 22 109.090 109.090 112.994 -3.904 25601 5560 1 41 . 1 1 22 22 THR H H 22 7.886 7.886 8.115 -0.229 25601 5561 1 41 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 5562 1 41 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5563 1 41 . 1 1 25 25 CYS N N 25 121.510 121.510 117.811 3.699 25601 5564 1 41 . 1 1 25 25 CYS H H 25 7.940 7.940 7.894 0.046 25601 5565 1 41 . 1 1 26 26 VAL N N 26 122.322 122.322 119.666 2.656 25601 5566 1 41 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 5567 1 41 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 5568 1 41 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5569 1 41 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5570 1 41 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5571 1 41 . 1 1 29 29 LYS N N 29 120.388 120.388 118.643 1.745 25601 5572 1 41 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5573 1 41 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5574 1 41 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5575 1 41 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5576 1 41 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5577 1 41 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5578 1 41 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5579 1 41 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5580 1 41 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5581 1 41 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5582 1 41 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5583 1 41 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5584 1 41 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5585 1 41 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 5586 1 41 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 5587 1 41 . 1 1 39 39 ASP N N 39 113.748 113.748 116.602 -2.854 25601 5588 1 41 . 1 1 39 39 ASP H H 39 8.554 8.554 8.866 -0.312 25601 5589 1 41 . 1 1 40 40 GLN N N 40 117.015 117.015 117.389 -0.374 25601 5590 1 41 . 1 1 40 40 GLN H H 40 7.841 7.841 7.944 -0.103 25601 5591 1 41 . 1 1 41 41 GLN N N 41 118.149 118.149 119.854 -1.705 25601 5592 1 41 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 5593 1 41 . 1 1 42 42 ARG N N 42 123.178 123.178 124.140 -0.962 25601 5594 1 41 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 5595 1 41 . 1 1 43 43 LEU N N 43 124.593 124.593 124.720 -0.127 25601 5596 1 41 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 5597 1 41 . 1 1 44 44 ILE N N 44 122.637 122.637 121.398 1.239 25601 5598 1 41 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 5599 1 41 . 1 1 45 45 PHE N N 45 125.152 125.152 124.211 0.941 25601 5600 1 41 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5601 1 41 . 1 1 46 46 ALA N N 46 112.473 112.473 127.228 -14.755 25601 5602 1 41 . 1 1 46 46 ALA H H 46 8.986 8.986 8.875 0.111 25601 5603 1 41 . 1 1 47 47 GLY N N 47 123.105 123.105 104.226 18.879 25601 5604 1 41 . 1 1 47 47 GLY H H 47 8.094 8.094 8.467 -0.373 25601 5605 1 41 . 1 1 48 48 CYS N N 48 122.066 122.066 119.511 2.555 25601 5606 1 41 . 1 1 48 48 CYS H H 48 8.001 8.001 7.959 0.042 25601 5607 1 41 . 1 1 49 49 GLN N N 49 123.249 123.249 123.541 -0.292 25601 5608 1 41 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 5609 1 41 . 1 1 50 50 LEU N N 50 125.854 125.854 123.530 2.324 25601 5610 1 41 . 1 1 50 50 LEU H H 50 8.576 8.576 8.575 0.001 25601 5611 1 41 . 1 1 51 51 GLU N N 51 123.307 123.307 121.202 2.105 25601 5612 1 41 . 1 1 51 51 GLU H H 51 8.391 8.391 8.328 0.063 25601 5613 1 41 . 1 1 52 52 ASP N N 52 120.548 120.548 125.154 -4.606 25601 5614 1 41 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 5615 1 41 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 5616 1 41 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5617 1 41 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 5618 1 41 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5619 1 41 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5620 1 41 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5621 1 41 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5622 1 41 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5623 1 41 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5624 1 41 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5625 1 41 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 5626 1 41 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5627 1 41 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 5628 1 41 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5629 1 41 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5630 1 41 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5631 1 41 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5632 1 41 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5633 1 41 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5634 1 41 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5635 1 41 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5636 1 41 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5637 1 41 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5638 1 41 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5639 1 41 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5640 1 41 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5641 1 41 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5642 1 41 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5643 1 41 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5644 1 41 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5645 1 41 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 5646 1 41 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5647 1 41 . 1 1 70 70 VAL N N 70 127.016 127.016 121.529 5.487 25601 5648 1 41 . 1 1 70 70 VAL H H 70 9.197 9.197 8.856 0.341 25601 5649 1 41 . 1 1 71 71 LEU N N 71 123.344 123.344 123.260 0.084 25601 5650 1 41 . 1 1 71 71 LEU H H 71 8.116 8.116 8.393 -0.277 25601 5651 1 41 . 1 1 72 72 ARG N N 72 123.792 123.792 122.119 1.673 25601 5652 1 41 . 1 1 72 72 ARG H H 72 8.624 8.624 8.795 -0.171 25601 5653 1 41 . 1 1 73 73 LEU N N 73 124.467 124.467 123.337 1.130 25601 5654 1 41 . 1 1 73 73 LEU H H 73 8.352 8.352 8.572 -0.220 25601 5655 1 41 . 1 1 74 74 ARG N N 74 122.301 122.301 122.692 -0.391 25601 5656 1 41 . 1 1 74 74 ARG H H 74 8.487 8.487 8.122 0.365 25601 5657 1 41 . 1 1 75 75 GLY N N 75 111.035 111.035 106.921 4.114 25601 5658 1 41 . 1 1 75 75 GLY H H 75 8.568 8.568 7.622 0.946 25601 5659 1 42 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5660 1 42 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5661 1 42 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5662 1 42 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5663 1 42 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5664 1 42 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5665 1 42 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5666 1 42 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5667 1 42 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5668 1 42 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5669 1 42 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5670 1 42 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5671 1 42 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5672 1 42 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5673 1 42 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5674 1 42 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5675 1 42 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5676 1 42 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5677 1 42 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5678 1 42 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5679 1 42 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5680 1 42 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5681 1 42 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5682 1 42 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5683 1 42 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5684 1 42 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5685 1 42 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5686 1 42 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5687 1 42 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5688 1 42 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5689 1 42 . 1 1 17 17 VAL N N 17 117.729 117.729 120.524 -2.795 25601 5690 1 42 . 1 1 17 17 VAL H H 17 8.944 8.944 8.818 0.126 25601 5691 1 42 . 1 1 18 18 GLU N N 18 119.594 119.594 120.483 -0.889 25601 5692 1 42 . 1 1 18 18 GLU H H 18 8.700 8.700 8.227 0.473 25601 5693 1 42 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 5694 1 42 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5695 1 42 . 1 1 21 21 ASP N N 21 124.036 124.036 122.756 1.280 25601 5696 1 42 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 5697 1 42 . 1 1 22 22 THR N N 22 109.090 109.090 113.390 -4.300 25601 5698 1 42 . 1 1 22 22 THR H H 22 7.886 7.886 8.322 -0.436 25601 5699 1 42 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 5700 1 42 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5701 1 42 . 1 1 25 25 CYS N N 25 121.510 121.510 117.843 3.667 25601 5702 1 42 . 1 1 25 25 CYS H H 25 7.940 7.940 7.902 0.038 25601 5703 1 42 . 1 1 26 26 VAL N N 26 122.322 122.322 119.572 2.750 25601 5704 1 42 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 5705 1 42 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 5706 1 42 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5707 1 42 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5708 1 42 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5709 1 42 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 5710 1 42 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5711 1 42 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5712 1 42 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5713 1 42 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5714 1 42 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5715 1 42 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5716 1 42 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5717 1 42 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5718 1 42 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5719 1 42 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5720 1 42 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5721 1 42 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5722 1 42 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5723 1 42 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 5724 1 42 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 5725 1 42 . 1 1 39 39 ASP N N 39 113.748 113.748 116.391 -2.643 25601 5726 1 42 . 1 1 39 39 ASP H H 39 8.554 8.554 8.535 0.019 25601 5727 1 42 . 1 1 40 40 GLN N N 40 117.015 117.015 117.544 -0.529 25601 5728 1 42 . 1 1 40 40 GLN H H 40 7.841 7.841 7.868 -0.027 25601 5729 1 42 . 1 1 41 41 GLN N N 41 118.149 118.149 119.855 -1.706 25601 5730 1 42 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 5731 1 42 . 1 1 42 42 ARG N N 42 123.178 123.178 124.142 -0.964 25601 5732 1 42 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 5733 1 42 . 1 1 43 43 LEU N N 43 124.593 124.593 124.722 -0.129 25601 5734 1 42 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 5735 1 42 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 5736 1 42 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 5737 1 42 . 1 1 45 45 PHE N N 45 125.152 125.152 124.208 0.944 25601 5738 1 42 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5739 1 42 . 1 1 46 46 ALA N N 46 112.473 112.473 127.221 -14.748 25601 5740 1 42 . 1 1 46 46 ALA H H 46 8.986 8.986 8.867 0.119 25601 5741 1 42 . 1 1 47 47 GLY N N 47 123.105 123.105 104.381 18.724 25601 5742 1 42 . 1 1 47 47 GLY H H 47 8.094 8.094 8.426 -0.332 25601 5743 1 42 . 1 1 48 48 CYS N N 48 122.066 122.066 119.692 2.374 25601 5744 1 42 . 1 1 48 48 CYS H H 48 8.001 8.001 7.967 0.034 25601 5745 1 42 . 1 1 49 49 GLN N N 49 123.249 123.249 121.464 1.785 25601 5746 1 42 . 1 1 49 49 GLN H H 49 8.641 8.641 8.594 0.047 25601 5747 1 42 . 1 1 50 50 LEU N N 50 125.854 125.854 123.638 2.216 25601 5748 1 42 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 5749 1 42 . 1 1 51 51 GLU N N 51 123.307 123.307 121.192 2.115 25601 5750 1 42 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 5751 1 42 . 1 1 52 52 ASP N N 52 120.548 120.548 125.140 -4.592 25601 5752 1 42 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 5753 1 42 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 5754 1 42 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5755 1 42 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 5756 1 42 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5757 1 42 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5758 1 42 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5759 1 42 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5760 1 42 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5761 1 42 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5762 1 42 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5763 1 42 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 5764 1 42 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5765 1 42 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 5766 1 42 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5767 1 42 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5768 1 42 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5769 1 42 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5770 1 42 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5771 1 42 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5772 1 42 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5773 1 42 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5774 1 42 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5775 1 42 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5776 1 42 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5777 1 42 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5778 1 42 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5779 1 42 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5780 1 42 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5781 1 42 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5782 1 42 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5783 1 42 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 5784 1 42 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5785 1 42 . 1 1 70 70 VAL N N 70 127.016 127.016 121.531 5.485 25601 5786 1 42 . 1 1 70 70 VAL H H 70 9.197 9.197 8.860 0.337 25601 5787 1 42 . 1 1 71 71 LEU N N 71 123.344 123.344 123.593 -0.249 25601 5788 1 42 . 1 1 71 71 LEU H H 71 8.116 8.116 8.413 -0.297 25601 5789 1 42 . 1 1 72 72 ARG N N 72 123.792 123.792 121.528 2.264 25601 5790 1 42 . 1 1 72 72 ARG H H 72 8.624 8.624 8.718 -0.094 25601 5791 1 42 . 1 1 73 73 LEU N N 73 124.467 124.467 120.752 3.715 25601 5792 1 42 . 1 1 73 73 LEU H H 73 8.352 8.352 8.670 -0.318 25601 5793 1 42 . 1 1 74 74 ARG N N 74 122.301 122.301 117.079 5.222 25601 5794 1 42 . 1 1 74 74 ARG H H 74 8.487 8.487 8.447 0.040 25601 5795 1 42 . 1 1 75 75 GLY N N 75 111.035 111.035 108.208 2.827 25601 5796 1 42 . 1 1 75 75 GLY H H 75 8.568 8.568 8.520 0.048 25601 5797 1 43 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5798 1 43 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5799 1 43 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5800 1 43 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5801 1 43 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5802 1 43 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5803 1 43 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5804 1 43 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5805 1 43 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5806 1 43 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5807 1 43 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5808 1 43 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5809 1 43 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5810 1 43 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5811 1 43 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5812 1 43 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5813 1 43 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5814 1 43 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5815 1 43 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5816 1 43 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5817 1 43 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5818 1 43 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5819 1 43 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5820 1 43 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5821 1 43 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5822 1 43 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5823 1 43 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5824 1 43 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5825 1 43 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5826 1 43 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5827 1 43 . 1 1 17 17 VAL N N 17 117.729 117.729 120.507 -2.778 25601 5828 1 43 . 1 1 17 17 VAL H H 17 8.944 8.944 8.816 0.128 25601 5829 1 43 . 1 1 18 18 GLU N N 18 119.594 119.594 120.522 -0.928 25601 5830 1 43 . 1 1 18 18 GLU H H 18 8.700 8.700 8.219 0.481 25601 5831 1 43 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 5832 1 43 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5833 1 43 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 5834 1 43 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 5835 1 43 . 1 1 22 22 THR N N 22 109.090 109.090 112.417 -3.327 25601 5836 1 43 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 5837 1 43 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 5838 1 43 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5839 1 43 . 1 1 25 25 CYS N N 25 121.510 121.510 117.854 3.656 25601 5840 1 43 . 1 1 25 25 CYS H H 25 7.940 7.940 7.905 0.035 25601 5841 1 43 . 1 1 26 26 VAL N N 26 122.322 122.322 119.538 2.784 25601 5842 1 43 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 5843 1 43 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 5844 1 43 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5845 1 43 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5846 1 43 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5847 1 43 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 5848 1 43 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5849 1 43 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5850 1 43 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5851 1 43 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5852 1 43 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5853 1 43 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5854 1 43 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5855 1 43 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5856 1 43 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5857 1 43 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5858 1 43 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5859 1 43 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 5860 1 43 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5861 1 43 . 1 1 36 36 ILE N N 36 120.438 120.438 122.758 -2.320 25601 5862 1 43 . 1 1 36 36 ILE H H 36 6.186 6.186 7.800 -1.614 25601 5863 1 43 . 1 1 39 39 ASP N N 39 113.748 113.748 116.092 -2.344 25601 5864 1 43 . 1 1 39 39 ASP H H 39 8.554 8.554 8.651 -0.097 25601 5865 1 43 . 1 1 40 40 GLN N N 40 117.015 117.015 117.461 -0.446 25601 5866 1 43 . 1 1 40 40 GLN H H 40 7.841 7.841 7.818 0.023 25601 5867 1 43 . 1 1 41 41 GLN N N 41 118.149 118.149 119.883 -1.734 25601 5868 1 43 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 5869 1 43 . 1 1 42 42 ARG N N 42 123.178 123.178 124.112 -0.934 25601 5870 1 43 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 5871 1 43 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 5872 1 43 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 5873 1 43 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 5874 1 43 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 5875 1 43 . 1 1 45 45 PHE N N 45 125.152 125.152 124.210 0.942 25601 5876 1 43 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 5877 1 43 . 1 1 46 46 ALA N N 46 112.473 112.473 127.223 -14.750 25601 5878 1 43 . 1 1 46 46 ALA H H 46 8.986 8.986 8.868 0.118 25601 5879 1 43 . 1 1 47 47 GLY N N 47 123.105 123.105 104.236 18.869 25601 5880 1 43 . 1 1 47 47 GLY H H 47 8.094 8.094 8.412 -0.318 25601 5881 1 43 . 1 1 48 48 CYS N N 48 122.066 122.066 119.667 2.399 25601 5882 1 43 . 1 1 48 48 CYS H H 48 8.001 8.001 7.990 0.011 25601 5883 1 43 . 1 1 49 49 GLN N N 49 123.249 123.249 122.086 1.163 25601 5884 1 43 . 1 1 49 49 GLN H H 49 8.641 8.641 8.587 0.054 25601 5885 1 43 . 1 1 50 50 LEU N N 50 125.854 125.854 123.640 2.214 25601 5886 1 43 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 5887 1 43 . 1 1 51 51 GLU N N 51 123.307 123.307 121.192 2.115 25601 5888 1 43 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 5889 1 43 . 1 1 52 52 ASP N N 52 120.548 120.548 123.284 -2.736 25601 5890 1 43 . 1 1 52 52 ASP H H 52 8.166 8.166 8.700 -0.534 25601 5891 1 43 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 5892 1 43 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 5893 1 43 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 5894 1 43 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 5895 1 43 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 5896 1 43 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 5897 1 43 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 5898 1 43 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 5899 1 43 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 5900 1 43 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 5901 1 43 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 5902 1 43 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 5903 1 43 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 5904 1 43 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 5905 1 43 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 5906 1 43 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 5907 1 43 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 5908 1 43 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 5909 1 43 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 5910 1 43 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 5911 1 43 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 5912 1 43 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 5913 1 43 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 5914 1 43 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 5915 1 43 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 5916 1 43 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 5917 1 43 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 5918 1 43 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 5919 1 43 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 5920 1 43 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 5921 1 43 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 5922 1 43 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 5923 1 43 . 1 1 70 70 VAL N N 70 127.016 127.016 121.523 5.493 25601 5924 1 43 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 5925 1 43 . 1 1 71 71 LEU N N 71 123.344 123.344 122.952 0.392 25601 5926 1 43 . 1 1 71 71 LEU H H 71 8.116 8.116 8.381 -0.265 25601 5927 1 43 . 1 1 72 72 ARG N N 72 123.792 123.792 121.370 2.422 25601 5928 1 43 . 1 1 72 72 ARG H H 72 8.624 8.624 8.753 -0.129 25601 5929 1 43 . 1 1 73 73 LEU N N 73 124.467 124.467 117.615 6.852 25601 5930 1 43 . 1 1 73 73 LEU H H 73 8.352 8.352 8.515 -0.163 25601 5931 1 43 . 1 1 74 74 ARG N N 74 122.301 122.301 118.222 4.079 25601 5932 1 43 . 1 1 74 74 ARG H H 74 8.487 8.487 8.377 0.110 25601 5933 1 43 . 1 1 75 75 GLY N N 75 111.035 111.035 107.349 3.686 25601 5934 1 43 . 1 1 75 75 GLY H H 75 8.568 8.568 7.507 1.061 25601 5935 1 44 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 5936 1 44 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 5937 1 44 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 5938 1 44 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5939 1 44 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 5940 1 44 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 5941 1 44 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 5942 1 44 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 5943 1 44 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 5944 1 44 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 5945 1 44 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 5946 1 44 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 5947 1 44 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 5948 1 44 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 5949 1 44 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 5950 1 44 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 5951 1 44 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 5952 1 44 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 5953 1 44 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 5954 1 44 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 5955 1 44 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 5956 1 44 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 5957 1 44 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 5958 1 44 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 5959 1 44 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 5960 1 44 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 5961 1 44 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 5962 1 44 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 5963 1 44 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 5964 1 44 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 5965 1 44 . 1 1 17 17 VAL N N 17 117.729 117.729 120.514 -2.785 25601 5966 1 44 . 1 1 17 17 VAL H H 17 8.944 8.944 8.817 0.127 25601 5967 1 44 . 1 1 18 18 GLU N N 18 119.594 119.594 120.507 -0.913 25601 5968 1 44 . 1 1 18 18 GLU H H 18 8.700 8.700 8.222 0.478 25601 5969 1 44 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 5970 1 44 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 5971 1 44 . 1 1 21 21 ASP N N 21 124.036 124.036 122.724 1.312 25601 5972 1 44 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 5973 1 44 . 1 1 22 22 THR N N 22 109.090 109.090 113.453 -4.363 25601 5974 1 44 . 1 1 22 22 THR H H 22 7.886 7.886 8.313 -0.427 25601 5975 1 44 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 5976 1 44 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 5977 1 44 . 1 1 25 25 CYS N N 25 121.510 121.510 117.850 3.660 25601 5978 1 44 . 1 1 25 25 CYS H H 25 7.940 7.940 7.904 0.036 25601 5979 1 44 . 1 1 26 26 VAL N N 26 122.322 122.322 119.551 2.771 25601 5980 1 44 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 5981 1 44 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 5982 1 44 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 5983 1 44 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 5984 1 44 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 5985 1 44 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 5986 1 44 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 5987 1 44 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 5988 1 44 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 5989 1 44 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 5990 1 44 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 5991 1 44 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 5992 1 44 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 5993 1 44 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 5994 1 44 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 5995 1 44 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 5996 1 44 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 5997 1 44 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 5998 1 44 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 5999 1 44 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 6000 1 44 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 6001 1 44 . 1 1 39 39 ASP N N 39 113.748 113.748 115.767 -2.019 25601 6002 1 44 . 1 1 39 39 ASP H H 39 8.554 8.554 8.702 -0.148 25601 6003 1 44 . 1 1 40 40 GLN N N 40 117.015 117.015 117.245 -0.230 25601 6004 1 44 . 1 1 40 40 GLN H H 40 7.841 7.841 7.850 -0.009 25601 6005 1 44 . 1 1 41 41 GLN N N 41 118.149 118.149 119.891 -1.742 25601 6006 1 44 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 6007 1 44 . 1 1 42 42 ARG N N 42 123.178 123.178 124.064 -0.886 25601 6008 1 44 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 6009 1 44 . 1 1 43 43 LEU N N 43 124.593 124.593 124.722 -0.129 25601 6010 1 44 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 6011 1 44 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 6012 1 44 . 1 1 44 44 ILE H H 44 9.155 9.155 8.802 0.353 25601 6013 1 44 . 1 1 45 45 PHE N N 45 125.152 125.152 124.179 0.973 25601 6014 1 44 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 6015 1 44 . 1 1 46 46 ALA N N 46 112.473 112.473 127.190 -14.717 25601 6016 1 44 . 1 1 46 46 ALA H H 46 8.986 8.986 8.857 0.129 25601 6017 1 44 . 1 1 47 47 GLY N N 47 123.105 123.105 104.202 18.903 25601 6018 1 44 . 1 1 47 47 GLY H H 47 8.094 8.094 8.410 -0.316 25601 6019 1 44 . 1 1 48 48 CYS N N 48 122.066 122.066 119.716 2.350 25601 6020 1 44 . 1 1 48 48 CYS H H 48 8.001 8.001 7.984 0.017 25601 6021 1 44 . 1 1 49 49 GLN N N 49 123.249 123.249 121.780 1.469 25601 6022 1 44 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 6023 1 44 . 1 1 50 50 LEU N N 50 125.854 125.854 123.601 2.253 25601 6024 1 44 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 6025 1 44 . 1 1 51 51 GLU N N 51 123.307 123.307 121.195 2.112 25601 6026 1 44 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 6027 1 44 . 1 1 52 52 ASP N N 52 120.548 120.548 123.376 -2.828 25601 6028 1 44 . 1 1 52 52 ASP H H 52 8.166 8.166 8.742 -0.576 25601 6029 1 44 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 6030 1 44 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6031 1 44 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 6032 1 44 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6033 1 44 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6034 1 44 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6035 1 44 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6036 1 44 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6037 1 44 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6038 1 44 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6039 1 44 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 6040 1 44 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6041 1 44 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6042 1 44 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6043 1 44 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6044 1 44 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6045 1 44 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6046 1 44 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6047 1 44 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6048 1 44 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6049 1 44 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6050 1 44 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6051 1 44 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6052 1 44 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6053 1 44 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6054 1 44 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6055 1 44 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6056 1 44 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6057 1 44 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6058 1 44 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6059 1 44 . 1 1 69 69 LEU N N 69 124.014 124.014 124.437 -0.423 25601 6060 1 44 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6061 1 44 . 1 1 70 70 VAL N N 70 127.016 127.016 121.487 5.529 25601 6062 1 44 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 6063 1 44 . 1 1 71 71 LEU N N 71 123.344 123.344 123.297 0.047 25601 6064 1 44 . 1 1 71 71 LEU H H 71 8.116 8.116 8.357 -0.241 25601 6065 1 44 . 1 1 72 72 ARG N N 72 123.792 123.792 122.024 1.768 25601 6066 1 44 . 1 1 72 72 ARG H H 72 8.624 8.624 8.735 -0.111 25601 6067 1 44 . 1 1 73 73 LEU N N 73 124.467 124.467 122.847 1.620 25601 6068 1 44 . 1 1 73 73 LEU H H 73 8.352 8.352 8.360 -0.008 25601 6069 1 44 . 1 1 74 74 ARG N N 74 122.301 122.301 121.120 1.181 25601 6070 1 44 . 1 1 74 74 ARG H H 74 8.487 8.487 8.322 0.165 25601 6071 1 44 . 1 1 75 75 GLY N N 75 111.035 111.035 108.935 2.100 25601 6072 1 44 . 1 1 75 75 GLY H H 75 8.568 8.568 8.403 0.165 25601 6073 1 45 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6074 1 45 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6075 1 45 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6076 1 45 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6077 1 45 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6078 1 45 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6079 1 45 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6080 1 45 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6081 1 45 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6082 1 45 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6083 1 45 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6084 1 45 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6085 1 45 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6086 1 45 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6087 1 45 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6088 1 45 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6089 1 45 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6090 1 45 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6091 1 45 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6092 1 45 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6093 1 45 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6094 1 45 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6095 1 45 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6096 1 45 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6097 1 45 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6098 1 45 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6099 1 45 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6100 1 45 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6101 1 45 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6102 1 45 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6103 1 45 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 6104 1 45 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 6105 1 45 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 6106 1 45 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 6107 1 45 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 6108 1 45 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6109 1 45 . 1 1 21 21 ASP N N 21 124.036 124.036 122.722 1.314 25601 6110 1 45 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 6111 1 45 . 1 1 22 22 THR N N 22 109.090 109.090 113.456 -4.366 25601 6112 1 45 . 1 1 22 22 THR H H 22 7.886 7.886 8.318 -0.432 25601 6113 1 45 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 6114 1 45 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6115 1 45 . 1 1 25 25 CYS N N 25 121.510 121.510 117.975 3.535 25601 6116 1 45 . 1 1 25 25 CYS H H 25 7.940 7.940 7.983 -0.043 25601 6117 1 45 . 1 1 26 26 VAL N N 26 122.322 122.322 118.975 3.347 25601 6118 1 45 . 1 1 26 26 VAL H H 26 8.123 8.123 7.931 0.192 25601 6119 1 45 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 6120 1 45 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6121 1 45 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 6122 1 45 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6123 1 45 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 6124 1 45 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6125 1 45 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 6126 1 45 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6127 1 45 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6128 1 45 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6129 1 45 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6130 1 45 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6131 1 45 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6132 1 45 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6133 1 45 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 6134 1 45 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 6135 1 45 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 6136 1 45 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 6137 1 45 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 6138 1 45 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 6139 1 45 . 1 1 39 39 ASP N N 39 113.748 113.748 116.231 -2.483 25601 6140 1 45 . 1 1 39 39 ASP H H 39 8.554 8.554 8.847 -0.293 25601 6141 1 45 . 1 1 40 40 GLN N N 40 117.015 117.015 117.450 -0.435 25601 6142 1 45 . 1 1 40 40 GLN H H 40 7.841 7.841 7.915 -0.074 25601 6143 1 45 . 1 1 41 41 GLN N N 41 118.149 118.149 119.869 -1.720 25601 6144 1 45 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 6145 1 45 . 1 1 42 42 ARG N N 42 123.178 123.178 124.179 -1.001 25601 6146 1 45 . 1 1 42 42 ARG H H 42 8.514 8.514 8.626 -0.112 25601 6147 1 45 . 1 1 43 43 LEU N N 43 124.593 124.593 124.720 -0.127 25601 6148 1 45 . 1 1 43 43 LEU H H 43 8.818 8.818 8.726 0.092 25601 6149 1 45 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 6150 1 45 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 6151 1 45 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 6152 1 45 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 6153 1 45 . 1 1 46 46 ALA N N 46 112.473 112.473 127.230 -14.757 25601 6154 1 45 . 1 1 46 46 ALA H H 46 8.986 8.986 8.873 0.113 25601 6155 1 45 . 1 1 47 47 GLY N N 47 123.105 123.105 104.326 18.779 25601 6156 1 45 . 1 1 47 47 GLY H H 47 8.094 8.094 8.416 -0.322 25601 6157 1 45 . 1 1 48 48 CYS N N 48 122.066 122.066 119.717 2.349 25601 6158 1 45 . 1 1 48 48 CYS H H 48 8.001 8.001 7.985 0.016 25601 6159 1 45 . 1 1 49 49 GLN N N 49 123.249 123.249 121.775 1.474 25601 6160 1 45 . 1 1 49 49 GLN H H 49 8.641 8.641 8.588 0.053 25601 6161 1 45 . 1 1 50 50 LEU N N 50 125.854 125.854 123.595 2.259 25601 6162 1 45 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.005 25601 6163 1 45 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 6164 1 45 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 6165 1 45 . 1 1 52 52 ASP N N 52 120.548 120.548 125.144 -4.596 25601 6166 1 45 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 6167 1 45 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 6168 1 45 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6169 1 45 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 6170 1 45 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6171 1 45 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6172 1 45 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6173 1 45 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6174 1 45 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6175 1 45 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6176 1 45 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6177 1 45 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 6178 1 45 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6179 1 45 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6180 1 45 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6181 1 45 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6182 1 45 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6183 1 45 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6184 1 45 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6185 1 45 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6186 1 45 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6187 1 45 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6188 1 45 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6189 1 45 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6190 1 45 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6191 1 45 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6192 1 45 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6193 1 45 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6194 1 45 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6195 1 45 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6196 1 45 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6197 1 45 . 1 1 69 69 LEU N N 69 124.014 124.014 124.445 -0.431 25601 6198 1 45 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6199 1 45 . 1 1 70 70 VAL N N 70 127.016 127.016 121.557 5.459 25601 6200 1 45 . 1 1 70 70 VAL H H 70 9.197 9.197 8.854 0.343 25601 6201 1 45 . 1 1 71 71 LEU N N 71 123.344 123.344 123.133 0.211 25601 6202 1 45 . 1 1 71 71 LEU H H 71 8.116 8.116 8.399 -0.283 25601 6203 1 45 . 1 1 72 72 ARG N N 72 123.792 123.792 122.353 1.439 25601 6204 1 45 . 1 1 72 72 ARG H H 72 8.624 8.624 8.675 -0.051 25601 6205 1 45 . 1 1 73 73 LEU N N 73 124.467 124.467 118.361 6.106 25601 6206 1 45 . 1 1 73 73 LEU H H 73 8.352 8.352 8.504 -0.152 25601 6207 1 45 . 1 1 74 74 ARG N N 74 122.301 122.301 123.317 -1.016 25601 6208 1 45 . 1 1 74 74 ARG H H 74 8.487 8.487 8.738 -0.251 25601 6209 1 45 . 1 1 75 75 GLY N N 75 111.035 111.035 109.944 1.091 25601 6210 1 45 . 1 1 75 75 GLY H H 75 8.568 8.568 7.793 0.775 25601 6211 1 46 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6212 1 46 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6213 1 46 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6214 1 46 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6215 1 46 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6216 1 46 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6217 1 46 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6218 1 46 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6219 1 46 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6220 1 46 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6221 1 46 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6222 1 46 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6223 1 46 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6224 1 46 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6225 1 46 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6226 1 46 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6227 1 46 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6228 1 46 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6229 1 46 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6230 1 46 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6231 1 46 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6232 1 46 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6233 1 46 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6234 1 46 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6235 1 46 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6236 1 46 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6237 1 46 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6238 1 46 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6239 1 46 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6240 1 46 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6241 1 46 . 1 1 17 17 VAL N N 17 117.729 117.729 120.562 -2.833 25601 6242 1 46 . 1 1 17 17 VAL H H 17 8.944 8.944 8.823 0.121 25601 6243 1 46 . 1 1 18 18 GLU N N 18 119.594 119.594 120.394 -0.800 25601 6244 1 46 . 1 1 18 18 GLU H H 18 8.700 8.700 8.245 0.455 25601 6245 1 46 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 6246 1 46 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6247 1 46 . 1 1 21 21 ASP N N 21 124.036 124.036 122.720 1.316 25601 6248 1 46 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 6249 1 46 . 1 1 22 22 THR N N 22 109.090 109.090 113.460 -4.370 25601 6250 1 46 . 1 1 22 22 THR H H 22 7.886 7.886 8.324 -0.438 25601 6251 1 46 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 6252 1 46 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6253 1 46 . 1 1 25 25 CYS N N 25 121.510 121.510 117.815 3.695 25601 6254 1 46 . 1 1 25 25 CYS H H 25 7.940 7.940 7.895 0.045 25601 6255 1 46 . 1 1 26 26 VAL N N 26 122.322 122.322 119.655 2.667 25601 6256 1 46 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 6257 1 46 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 6258 1 46 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6259 1 46 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 6260 1 46 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6261 1 46 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 6262 1 46 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6263 1 46 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 6264 1 46 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6265 1 46 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6266 1 46 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6267 1 46 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6268 1 46 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6269 1 46 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6270 1 46 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6271 1 46 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 6272 1 46 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 6273 1 46 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 6274 1 46 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 6275 1 46 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 6276 1 46 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 6277 1 46 . 1 1 39 39 ASP N N 39 113.748 113.748 115.956 -2.208 25601 6278 1 46 . 1 1 39 39 ASP H H 39 8.554 8.554 8.807 -0.253 25601 6279 1 46 . 1 1 40 40 GLN N N 40 117.015 117.015 117.450 -0.435 25601 6280 1 46 . 1 1 40 40 GLN H H 40 7.841 7.841 7.883 -0.042 25601 6281 1 46 . 1 1 41 41 GLN N N 41 118.149 118.149 119.853 -1.704 25601 6282 1 46 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 6283 1 46 . 1 1 42 42 ARG N N 42 123.178 123.178 124.165 -0.987 25601 6284 1 46 . 1 1 42 42 ARG H H 42 8.514 8.514 8.627 -0.113 25601 6285 1 46 . 1 1 43 43 LEU N N 43 124.593 124.593 124.722 -0.129 25601 6286 1 46 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 6287 1 46 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 6288 1 46 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 6289 1 46 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 6290 1 46 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 6291 1 46 . 1 1 46 46 ALA N N 46 112.473 112.473 127.232 -14.759 25601 6292 1 46 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 6293 1 46 . 1 1 47 47 GLY N N 47 123.105 123.105 104.241 18.864 25601 6294 1 46 . 1 1 47 47 GLY H H 47 8.094 8.094 8.469 -0.375 25601 6295 1 46 . 1 1 48 48 CYS N N 48 122.066 122.066 119.513 2.553 25601 6296 1 46 . 1 1 48 48 CYS H H 48 8.001 8.001 7.958 0.043 25601 6297 1 46 . 1 1 49 49 GLN N N 49 123.249 123.249 123.556 -0.307 25601 6298 1 46 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 6299 1 46 . 1 1 50 50 LEU N N 50 125.854 125.854 123.545 2.309 25601 6300 1 46 . 1 1 50 50 LEU H H 50 8.576 8.576 8.574 0.002 25601 6301 1 46 . 1 1 51 51 GLU N N 51 123.307 123.307 121.203 2.104 25601 6302 1 46 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 6303 1 46 . 1 1 52 52 ASP N N 52 120.548 120.548 125.151 -4.603 25601 6304 1 46 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 6305 1 46 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 6306 1 46 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6307 1 46 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 6308 1 46 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6309 1 46 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6310 1 46 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6311 1 46 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6312 1 46 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6313 1 46 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6314 1 46 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6315 1 46 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 6316 1 46 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6317 1 46 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6318 1 46 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6319 1 46 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6320 1 46 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6321 1 46 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6322 1 46 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6323 1 46 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6324 1 46 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6325 1 46 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6326 1 46 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6327 1 46 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6328 1 46 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6329 1 46 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6330 1 46 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6331 1 46 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6332 1 46 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6333 1 46 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6334 1 46 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6335 1 46 . 1 1 69 69 LEU N N 69 124.014 124.014 124.445 -0.431 25601 6336 1 46 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6337 1 46 . 1 1 70 70 VAL N N 70 127.016 127.016 121.554 5.462 25601 6338 1 46 . 1 1 70 70 VAL H H 70 9.197 9.197 8.856 0.341 25601 6339 1 46 . 1 1 71 71 LEU N N 71 123.344 123.344 123.013 0.331 25601 6340 1 46 . 1 1 71 71 LEU H H 71 8.116 8.116 8.422 -0.306 25601 6341 1 46 . 1 1 72 72 ARG N N 72 123.792 123.792 122.464 1.328 25601 6342 1 46 . 1 1 72 72 ARG H H 72 8.624 8.624 8.636 -0.012 25601 6343 1 46 . 1 1 73 73 LEU N N 73 124.467 124.467 118.721 5.746 25601 6344 1 46 . 1 1 73 73 LEU H H 73 8.352 8.352 8.398 -0.046 25601 6345 1 46 . 1 1 74 74 ARG N N 74 122.301 122.301 118.870 3.431 25601 6346 1 46 . 1 1 74 74 ARG H H 74 8.487 8.487 8.478 0.009 25601 6347 1 46 . 1 1 75 75 GLY N N 75 111.035 111.035 106.748 4.287 25601 6348 1 46 . 1 1 75 75 GLY H H 75 8.568 8.568 7.816 0.752 25601 6349 1 47 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6350 1 47 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6351 1 47 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6352 1 47 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6353 1 47 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6354 1 47 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6355 1 47 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6356 1 47 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6357 1 47 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6358 1 47 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6359 1 47 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6360 1 47 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6361 1 47 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6362 1 47 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6363 1 47 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6364 1 47 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6365 1 47 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6366 1 47 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6367 1 47 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6368 1 47 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6369 1 47 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6370 1 47 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6371 1 47 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6372 1 47 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6373 1 47 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6374 1 47 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6375 1 47 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6376 1 47 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6377 1 47 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6378 1 47 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6379 1 47 . 1 1 17 17 VAL N N 17 117.729 117.729 120.498 -2.769 25601 6380 1 47 . 1 1 17 17 VAL H H 17 8.944 8.944 8.815 0.129 25601 6381 1 47 . 1 1 18 18 GLU N N 18 119.594 119.594 120.542 -0.948 25601 6382 1 47 . 1 1 18 18 GLU H H 18 8.700 8.700 8.216 0.484 25601 6383 1 47 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 6384 1 47 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6385 1 47 . 1 1 21 21 ASP N N 21 124.036 124.036 122.727 1.309 25601 6386 1 47 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 6387 1 47 . 1 1 22 22 THR N N 22 109.090 109.090 113.434 -4.344 25601 6388 1 47 . 1 1 22 22 THR H H 22 7.886 7.886 8.326 -0.440 25601 6389 1 47 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 6390 1 47 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6391 1 47 . 1 1 25 25 CYS N N 25 121.510 121.510 117.859 3.651 25601 6392 1 47 . 1 1 25 25 CYS H H 25 7.940 7.940 7.906 0.034 25601 6393 1 47 . 1 1 26 26 VAL N N 26 122.322 122.322 119.520 2.802 25601 6394 1 47 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 6395 1 47 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 6396 1 47 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6397 1 47 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 6398 1 47 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6399 1 47 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 6400 1 47 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6401 1 47 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 6402 1 47 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6403 1 47 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6404 1 47 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6405 1 47 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6406 1 47 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6407 1 47 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6408 1 47 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6409 1 47 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 6410 1 47 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 6411 1 47 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 6412 1 47 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 6413 1 47 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 6414 1 47 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 6415 1 47 . 1 1 39 39 ASP N N 39 113.748 113.748 115.917 -2.169 25601 6416 1 47 . 1 1 39 39 ASP H H 39 8.554 8.554 8.748 -0.194 25601 6417 1 47 . 1 1 40 40 GLN N N 40 117.015 117.015 117.321 -0.306 25601 6418 1 47 . 1 1 40 40 GLN H H 40 7.841 7.841 7.860 -0.019 25601 6419 1 47 . 1 1 41 41 GLN N N 41 118.149 118.149 119.878 -1.729 25601 6420 1 47 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 6421 1 47 . 1 1 42 42 ARG N N 42 123.178 123.178 124.076 -0.898 25601 6422 1 47 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 6423 1 47 . 1 1 43 43 LEU N N 43 124.593 124.593 124.732 -0.139 25601 6424 1 47 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 6425 1 47 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 6426 1 47 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 6427 1 47 . 1 1 45 45 PHE N N 45 125.152 125.152 124.202 0.950 25601 6428 1 47 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 6429 1 47 . 1 1 46 46 ALA N N 46 112.473 112.473 127.216 -14.743 25601 6430 1 47 . 1 1 46 46 ALA H H 46 8.986 8.986 8.867 0.119 25601 6431 1 47 . 1 1 47 47 GLY N N 47 123.105 123.105 104.428 18.677 25601 6432 1 47 . 1 1 47 47 GLY H H 47 8.094 8.094 8.435 -0.341 25601 6433 1 47 . 1 1 48 48 CYS N N 48 122.066 122.066 119.635 2.431 25601 6434 1 47 . 1 1 48 48 CYS H H 48 8.001 8.001 7.957 0.044 25601 6435 1 47 . 1 1 49 49 GLN N N 49 123.249 123.249 121.351 1.898 25601 6436 1 47 . 1 1 49 49 GLN H H 49 8.641 8.641 8.593 0.048 25601 6437 1 47 . 1 1 50 50 LEU N N 50 125.854 125.854 123.584 2.270 25601 6438 1 47 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 6439 1 47 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 6440 1 47 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 6441 1 47 . 1 1 52 52 ASP N N 52 120.548 120.548 125.146 -4.598 25601 6442 1 47 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 6443 1 47 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 6444 1 47 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6445 1 47 . 1 1 55 55 THR N N 55 109.015 109.015 111.881 -2.866 25601 6446 1 47 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6447 1 47 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6448 1 47 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6449 1 47 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6450 1 47 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6451 1 47 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6452 1 47 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6453 1 47 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 6454 1 47 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6455 1 47 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6456 1 47 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6457 1 47 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6458 1 47 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6459 1 47 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6460 1 47 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6461 1 47 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6462 1 47 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6463 1 47 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6464 1 47 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6465 1 47 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6466 1 47 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6467 1 47 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6468 1 47 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6469 1 47 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6470 1 47 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6471 1 47 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6472 1 47 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6473 1 47 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 6474 1 47 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6475 1 47 . 1 1 70 70 VAL N N 70 127.016 127.016 121.524 5.492 25601 6476 1 47 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 6477 1 47 . 1 1 71 71 LEU N N 71 123.344 123.344 122.742 0.602 25601 6478 1 47 . 1 1 71 71 LEU H H 71 8.116 8.116 8.485 -0.369 25601 6479 1 47 . 1 1 72 72 ARG N N 72 123.792 123.792 122.363 1.429 25601 6480 1 47 . 1 1 72 72 ARG H H 72 8.624 8.624 8.700 -0.076 25601 6481 1 47 . 1 1 73 73 LEU N N 73 124.467 124.467 117.371 7.096 25601 6482 1 47 . 1 1 73 73 LEU H H 73 8.352 8.352 8.601 -0.249 25601 6483 1 47 . 1 1 74 74 ARG N N 74 122.301 122.301 119.871 2.430 25601 6484 1 47 . 1 1 74 74 ARG H H 74 8.487 8.487 8.143 0.344 25601 6485 1 47 . 1 1 75 75 GLY N N 75 111.035 111.035 105.168 5.867 25601 6486 1 47 . 1 1 75 75 GLY H H 75 8.568 8.568 8.327 0.241 25601 6487 1 48 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6488 1 48 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6489 1 48 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6490 1 48 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6491 1 48 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6492 1 48 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6493 1 48 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6494 1 48 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6495 1 48 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6496 1 48 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6497 1 48 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6498 1 48 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6499 1 48 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6500 1 48 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6501 1 48 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6502 1 48 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6503 1 48 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6504 1 48 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6505 1 48 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6506 1 48 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6507 1 48 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6508 1 48 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6509 1 48 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6510 1 48 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6511 1 48 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6512 1 48 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6513 1 48 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6514 1 48 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6515 1 48 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6516 1 48 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6517 1 48 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 6518 1 48 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 6519 1 48 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 6520 1 48 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 6521 1 48 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 6522 1 48 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6523 1 48 . 1 1 21 21 ASP N N 21 124.036 124.036 122.720 1.316 25601 6524 1 48 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 6525 1 48 . 1 1 22 22 THR N N 22 109.090 109.090 113.461 -4.371 25601 6526 1 48 . 1 1 22 22 THR H H 22 7.886 7.886 8.324 -0.438 25601 6527 1 48 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 6528 1 48 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6529 1 48 . 1 1 25 25 CYS N N 25 121.510 121.510 117.997 3.513 25601 6530 1 48 . 1 1 25 25 CYS H H 25 7.940 7.940 7.993 -0.053 25601 6531 1 48 . 1 1 26 26 VAL N N 26 122.322 122.322 118.967 3.355 25601 6532 1 48 . 1 1 26 26 VAL H H 26 8.123 8.123 7.937 0.186 25601 6533 1 48 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 6534 1 48 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6535 1 48 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 6536 1 48 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6537 1 48 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 6538 1 48 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6539 1 48 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 6540 1 48 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6541 1 48 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6542 1 48 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6543 1 48 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6544 1 48 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6545 1 48 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6546 1 48 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6547 1 48 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 6548 1 48 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 6549 1 48 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 6550 1 48 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 6551 1 48 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 6552 1 48 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 6553 1 48 . 1 1 39 39 ASP N N 39 113.748 113.748 116.268 -2.520 25601 6554 1 48 . 1 1 39 39 ASP H H 39 8.554 8.554 8.567 -0.013 25601 6555 1 48 . 1 1 40 40 GLN N N 40 117.015 117.015 117.614 -0.599 25601 6556 1 48 . 1 1 40 40 GLN H H 40 7.841 7.841 7.840 0.001 25601 6557 1 48 . 1 1 41 41 GLN N N 41 118.149 118.149 119.868 -1.719 25601 6558 1 48 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 6559 1 48 . 1 1 42 42 ARG N N 42 123.178 123.178 124.102 -0.924 25601 6560 1 48 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 6561 1 48 . 1 1 43 43 LEU N N 43 124.593 124.593 124.725 -0.132 25601 6562 1 48 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.090 25601 6563 1 48 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 6564 1 48 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 6565 1 48 . 1 1 45 45 PHE N N 45 125.152 125.152 124.219 0.933 25601 6566 1 48 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 6567 1 48 . 1 1 46 46 ALA N N 46 112.473 112.473 127.233 -14.760 25601 6568 1 48 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 6569 1 48 . 1 1 47 47 GLY N N 47 123.105 123.105 104.345 18.760 25601 6570 1 48 . 1 1 47 47 GLY H H 47 8.094 8.094 8.417 -0.323 25601 6571 1 48 . 1 1 48 48 CYS N N 48 122.066 122.066 119.715 2.351 25601 6572 1 48 . 1 1 48 48 CYS H H 48 8.001 8.001 7.986 0.015 25601 6573 1 48 . 1 1 49 49 GLN N N 49 123.249 123.249 121.790 1.459 25601 6574 1 48 . 1 1 49 49 GLN H H 49 8.641 8.641 8.587 0.054 25601 6575 1 48 . 1 1 50 50 LEU N N 50 125.854 125.854 123.573 2.281 25601 6576 1 48 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 6577 1 48 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 6578 1 48 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 6579 1 48 . 1 1 52 52 ASP N N 52 120.548 120.548 125.147 -4.599 25601 6580 1 48 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 6581 1 48 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 6582 1 48 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6583 1 48 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 6584 1 48 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6585 1 48 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6586 1 48 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6587 1 48 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6588 1 48 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6589 1 48 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6590 1 48 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6591 1 48 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 6592 1 48 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6593 1 48 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6594 1 48 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6595 1 48 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6596 1 48 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6597 1 48 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6598 1 48 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6599 1 48 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6600 1 48 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6601 1 48 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6602 1 48 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6603 1 48 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6604 1 48 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6605 1 48 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6606 1 48 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6607 1 48 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6608 1 48 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6609 1 48 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6610 1 48 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6611 1 48 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 6612 1 48 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6613 1 48 . 1 1 70 70 VAL N N 70 127.016 127.016 121.521 5.495 25601 6614 1 48 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 6615 1 48 . 1 1 71 71 LEU N N 71 123.344 123.344 123.351 -0.007 25601 6616 1 48 . 1 1 71 71 LEU H H 71 8.116 8.116 8.413 -0.297 25601 6617 1 48 . 1 1 72 72 ARG N N 72 123.792 123.792 121.228 2.564 25601 6618 1 48 . 1 1 72 72 ARG H H 72 8.624 8.624 8.575 0.049 25601 6619 1 48 . 1 1 73 73 LEU N N 73 124.467 124.467 117.295 7.172 25601 6620 1 48 . 1 1 73 73 LEU H H 73 8.352 8.352 8.527 -0.175 25601 6621 1 48 . 1 1 74 74 ARG N N 74 122.301 122.301 118.562 3.739 25601 6622 1 48 . 1 1 74 74 ARG H H 74 8.487 8.487 8.620 -0.133 25601 6623 1 48 . 1 1 75 75 GLY N N 75 111.035 111.035 104.439 6.596 25601 6624 1 48 . 1 1 75 75 GLY H H 75 8.568 8.568 8.247 0.321 25601 6625 1 49 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6626 1 49 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6627 1 49 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6628 1 49 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6629 1 49 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6630 1 49 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6631 1 49 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6632 1 49 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6633 1 49 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6634 1 49 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6635 1 49 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6636 1 49 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6637 1 49 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6638 1 49 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6639 1 49 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6640 1 49 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6641 1 49 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6642 1 49 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6643 1 49 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6644 1 49 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6645 1 49 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6646 1 49 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6647 1 49 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6648 1 49 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6649 1 49 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6650 1 49 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6651 1 49 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6652 1 49 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6653 1 49 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6654 1 49 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6655 1 49 . 1 1 17 17 VAL N N 17 117.729 117.729 120.500 -2.771 25601 6656 1 49 . 1 1 17 17 VAL H H 17 8.944 8.944 8.815 0.129 25601 6657 1 49 . 1 1 18 18 GLU N N 18 119.594 119.594 120.538 -0.944 25601 6658 1 49 . 1 1 18 18 GLU H H 18 8.700 8.700 8.216 0.484 25601 6659 1 49 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 6660 1 49 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6661 1 49 . 1 1 21 21 ASP N N 21 124.036 124.036 122.767 1.269 25601 6662 1 49 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 6663 1 49 . 1 1 22 22 THR N N 22 109.090 109.090 113.372 -4.282 25601 6664 1 49 . 1 1 22 22 THR H H 22 7.886 7.886 8.319 -0.433 25601 6665 1 49 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 6666 1 49 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6667 1 49 . 1 1 25 25 CYS N N 25 121.510 121.510 117.858 3.652 25601 6668 1 49 . 1 1 25 25 CYS H H 25 7.940 7.940 7.906 0.034 25601 6669 1 49 . 1 1 26 26 VAL N N 26 122.322 122.322 119.524 2.798 25601 6670 1 49 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 6671 1 49 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 6672 1 49 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6673 1 49 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 6674 1 49 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6675 1 49 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 6676 1 49 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6677 1 49 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 6678 1 49 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6679 1 49 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6680 1 49 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6681 1 49 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6682 1 49 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6683 1 49 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6684 1 49 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6685 1 49 . 1 1 34 34 GLU N N 34 114.495 114.495 118.678 -4.183 25601 6686 1 49 . 1 1 34 34 GLU H H 34 8.740 8.740 8.169 0.571 25601 6687 1 49 . 1 1 35 35 GLY N N 35 108.947 108.947 107.996 0.951 25601 6688 1 49 . 1 1 35 35 GLY H H 35 8.502 8.502 7.913 0.589 25601 6689 1 49 . 1 1 36 36 ILE N N 36 120.438 120.438 120.654 -0.216 25601 6690 1 49 . 1 1 36 36 ILE H H 36 6.186 6.186 7.721 -1.535 25601 6691 1 49 . 1 1 39 39 ASP N N 39 113.748 113.748 115.993 -2.245 25601 6692 1 49 . 1 1 39 39 ASP H H 39 8.554 8.554 8.872 -0.318 25601 6693 1 49 . 1 1 40 40 GLN N N 40 117.015 117.015 117.623 -0.608 25601 6694 1 49 . 1 1 40 40 GLN H H 40 7.841 7.841 7.925 -0.084 25601 6695 1 49 . 1 1 41 41 GLN N N 41 118.149 118.149 119.854 -1.705 25601 6696 1 49 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 6697 1 49 . 1 1 42 42 ARG N N 42 123.178 123.178 124.131 -0.953 25601 6698 1 49 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 6699 1 49 . 1 1 43 43 LEU N N 43 124.593 124.593 124.722 -0.129 25601 6700 1 49 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 6701 1 49 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 6702 1 49 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 6703 1 49 . 1 1 45 45 PHE N N 45 125.152 125.152 124.194 0.958 25601 6704 1 49 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 6705 1 49 . 1 1 46 46 ALA N N 46 112.473 112.473 127.208 -14.735 25601 6706 1 49 . 1 1 46 46 ALA H H 46 8.986 8.986 8.864 0.122 25601 6707 1 49 . 1 1 47 47 GLY N N 47 123.105 123.105 104.151 18.954 25601 6708 1 49 . 1 1 47 47 GLY H H 47 8.094 8.094 8.471 -0.377 25601 6709 1 49 . 1 1 48 48 CYS N N 48 122.066 122.066 119.525 2.541 25601 6710 1 49 . 1 1 48 48 CYS H H 48 8.001 8.001 7.950 0.051 25601 6711 1 49 . 1 1 49 49 GLN N N 49 123.249 123.249 123.596 -0.347 25601 6712 1 49 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 6713 1 49 . 1 1 50 50 LEU N N 50 125.854 125.854 123.570 2.284 25601 6714 1 49 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 6715 1 49 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 6716 1 49 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 6717 1 49 . 1 1 52 52 ASP N N 52 120.548 120.548 123.283 -2.735 25601 6718 1 49 . 1 1 52 52 ASP H H 52 8.166 8.166 8.707 -0.541 25601 6719 1 49 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 6720 1 49 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6721 1 49 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 6722 1 49 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6723 1 49 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6724 1 49 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6725 1 49 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6726 1 49 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6727 1 49 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6728 1 49 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6729 1 49 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 6730 1 49 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6731 1 49 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6732 1 49 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6733 1 49 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6734 1 49 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6735 1 49 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6736 1 49 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6737 1 49 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6738 1 49 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6739 1 49 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6740 1 49 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6741 1 49 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6742 1 49 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6743 1 49 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6744 1 49 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6745 1 49 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6746 1 49 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6747 1 49 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6748 1 49 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6749 1 49 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 6750 1 49 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6751 1 49 . 1 1 70 70 VAL N N 70 127.016 127.016 121.526 5.490 25601 6752 1 49 . 1 1 70 70 VAL H H 70 9.197 9.197 8.861 0.336 25601 6753 1 49 . 1 1 71 71 LEU N N 71 123.344 123.344 122.281 1.063 25601 6754 1 49 . 1 1 71 71 LEU H H 71 8.116 8.116 8.346 -0.230 25601 6755 1 49 . 1 1 72 72 ARG N N 72 123.792 123.792 121.739 2.053 25601 6756 1 49 . 1 1 72 72 ARG H H 72 8.624 8.624 8.664 -0.040 25601 6757 1 49 . 1 1 73 73 LEU N N 73 124.467 124.467 116.716 7.751 25601 6758 1 49 . 1 1 73 73 LEU H H 73 8.352 8.352 7.710 0.642 25601 6759 1 49 . 1 1 74 74 ARG N N 74 122.301 122.301 122.576 -0.275 25601 6760 1 49 . 1 1 74 74 ARG H H 74 8.487 8.487 8.548 -0.061 25601 6761 1 49 . 1 1 75 75 GLY N N 75 111.035 111.035 107.518 3.517 25601 6762 1 49 . 1 1 75 75 GLY H H 75 8.568 8.568 8.287 0.281 25601 6763 1 50 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6764 1 50 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6765 1 50 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6766 1 50 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6767 1 50 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6768 1 50 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6769 1 50 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6770 1 50 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6771 1 50 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6772 1 50 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6773 1 50 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6774 1 50 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6775 1 50 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6776 1 50 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6777 1 50 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6778 1 50 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6779 1 50 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6780 1 50 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6781 1 50 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6782 1 50 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6783 1 50 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6784 1 50 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6785 1 50 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6786 1 50 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6787 1 50 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6788 1 50 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6789 1 50 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6790 1 50 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6791 1 50 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6792 1 50 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6793 1 50 . 1 1 17 17 VAL N N 17 117.729 117.729 120.561 -2.832 25601 6794 1 50 . 1 1 17 17 VAL H H 17 8.944 8.944 8.822 0.122 25601 6795 1 50 . 1 1 18 18 GLU N N 18 119.594 119.594 120.397 -0.803 25601 6796 1 50 . 1 1 18 18 GLU H H 18 8.700 8.700 8.244 0.456 25601 6797 1 50 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 6798 1 50 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6799 1 50 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 6800 1 50 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 6801 1 50 . 1 1 22 22 THR N N 22 109.090 109.090 112.415 -3.325 25601 6802 1 50 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 6803 1 50 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 6804 1 50 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6805 1 50 . 1 1 25 25 CYS N N 25 121.510 121.510 117.816 3.694 25601 6806 1 50 . 1 1 25 25 CYS H H 25 7.940 7.940 7.895 0.045 25601 6807 1 50 . 1 1 26 26 VAL N N 26 122.322 122.322 119.652 2.670 25601 6808 1 50 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 6809 1 50 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 6810 1 50 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6811 1 50 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 6812 1 50 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6813 1 50 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 6814 1 50 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6815 1 50 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 6816 1 50 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6817 1 50 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6818 1 50 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6819 1 50 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6820 1 50 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6821 1 50 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6822 1 50 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6823 1 50 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 6824 1 50 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 6825 1 50 . 1 1 35 35 GLY N N 35 108.947 108.947 106.896 2.051 25601 6826 1 50 . 1 1 35 35 GLY H H 35 8.502 8.502 8.194 0.308 25601 6827 1 50 . 1 1 36 36 ILE N N 36 120.438 120.438 120.153 0.285 25601 6828 1 50 . 1 1 36 36 ILE H H 36 6.186 6.186 7.643 -1.457 25601 6829 1 50 . 1 1 39 39 ASP N N 39 113.748 113.748 117.482 -3.734 25601 6830 1 50 . 1 1 39 39 ASP H H 39 8.554 8.554 8.487 0.067 25601 6831 1 50 . 1 1 40 40 GLN N N 40 117.015 117.015 117.715 -0.700 25601 6832 1 50 . 1 1 40 40 GLN H H 40 7.841 7.841 7.981 -0.140 25601 6833 1 50 . 1 1 41 41 GLN N N 41 118.149 118.149 119.868 -1.719 25601 6834 1 50 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 6835 1 50 . 1 1 42 42 ARG N N 42 123.178 123.178 124.072 -0.894 25601 6836 1 50 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 6837 1 50 . 1 1 43 43 LEU N N 43 124.593 124.593 124.729 -0.136 25601 6838 1 50 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 6839 1 50 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 6840 1 50 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 6841 1 50 . 1 1 45 45 PHE N N 45 125.152 125.152 124.206 0.946 25601 6842 1 50 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 6843 1 50 . 1 1 46 46 ALA N N 46 112.473 112.473 127.221 -14.748 25601 6844 1 50 . 1 1 46 46 ALA H H 46 8.986 8.986 8.870 0.116 25601 6845 1 50 . 1 1 47 47 GLY N N 47 123.105 123.105 104.180 18.925 25601 6846 1 50 . 1 1 47 47 GLY H H 47 8.094 8.094 8.454 -0.360 25601 6847 1 50 . 1 1 48 48 CYS N N 48 122.066 122.066 119.500 2.566 25601 6848 1 50 . 1 1 48 48 CYS H H 48 8.001 8.001 7.966 0.035 25601 6849 1 50 . 1 1 49 49 GLN N N 49 123.249 123.249 123.438 -0.189 25601 6850 1 50 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 6851 1 50 . 1 1 50 50 LEU N N 50 125.854 125.854 123.553 2.301 25601 6852 1 50 . 1 1 50 50 LEU H H 50 8.576 8.576 8.573 0.003 25601 6853 1 50 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 6854 1 50 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 6855 1 50 . 1 1 52 52 ASP N N 52 120.548 120.548 125.151 -4.603 25601 6856 1 50 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 6857 1 50 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 6858 1 50 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6859 1 50 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 6860 1 50 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6861 1 50 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 6862 1 50 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 6863 1 50 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 6864 1 50 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 6865 1 50 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 6866 1 50 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 6867 1 50 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 6868 1 50 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 6869 1 50 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 6870 1 50 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 6871 1 50 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 6872 1 50 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 6873 1 50 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 6874 1 50 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 6875 1 50 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 6876 1 50 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 6877 1 50 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 6878 1 50 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 6879 1 50 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 6880 1 50 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 6881 1 50 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 6882 1 50 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 6883 1 50 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 6884 1 50 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 6885 1 50 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 6886 1 50 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 6887 1 50 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 6888 1 50 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 6889 1 50 . 1 1 70 70 VAL N N 70 127.016 127.016 121.510 5.506 25601 6890 1 50 . 1 1 70 70 VAL H H 70 9.197 9.197 8.852 0.345 25601 6891 1 50 . 1 1 71 71 LEU N N 71 123.344 123.344 123.583 -0.239 25601 6892 1 50 . 1 1 71 71 LEU H H 71 8.116 8.116 8.060 0.056 25601 6893 1 50 . 1 1 72 72 ARG N N 72 123.792 123.792 120.696 3.096 25601 6894 1 50 . 1 1 72 72 ARG H H 72 8.624 8.624 8.760 -0.136 25601 6895 1 50 . 1 1 73 73 LEU N N 73 124.467 124.467 119.033 5.434 25601 6896 1 50 . 1 1 73 73 LEU H H 73 8.352 8.352 8.162 0.190 25601 6897 1 50 . 1 1 74 74 ARG N N 74 122.301 122.301 114.872 7.429 25601 6898 1 50 . 1 1 74 74 ARG H H 74 8.487 8.487 7.427 1.060 25601 6899 1 50 . 1 1 75 75 GLY N N 75 111.035 111.035 106.468 4.567 25601 6900 1 50 . 1 1 75 75 GLY H H 75 8.568 8.568 8.343 0.225 25601 6901 1 51 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 6902 1 51 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 6903 1 51 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 6904 1 51 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 6905 1 51 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6906 1 51 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 6907 1 51 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 6908 1 51 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 6909 1 51 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 6910 1 51 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 6911 1 51 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 6912 1 51 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 6913 1 51 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 6914 1 51 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 6915 1 51 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 6916 1 51 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 6917 1 51 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 6918 1 51 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 6919 1 51 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 6920 1 51 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 6921 1 51 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 6922 1 51 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 6923 1 51 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 6924 1 51 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 6925 1 51 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 6926 1 51 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 6927 1 51 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 6928 1 51 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 6929 1 51 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 6930 1 51 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 6931 1 51 . 1 1 17 17 VAL N N 17 117.729 117.729 120.509 -2.780 25601 6932 1 51 . 1 1 17 17 VAL H H 17 8.944 8.944 8.816 0.128 25601 6933 1 51 . 1 1 18 18 GLU N N 18 119.594 119.594 120.517 -0.923 25601 6934 1 51 . 1 1 18 18 GLU H H 18 8.700 8.700 8.220 0.480 25601 6935 1 51 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 6936 1 51 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 6937 1 51 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 6938 1 51 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 6939 1 51 . 1 1 22 22 THR N N 22 109.090 109.090 112.417 -3.327 25601 6940 1 51 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 6941 1 51 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 6942 1 51 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 6943 1 51 . 1 1 25 25 CYS N N 25 121.510 121.510 117.853 3.657 25601 6944 1 51 . 1 1 25 25 CYS H H 25 7.940 7.940 7.905 0.035 25601 6945 1 51 . 1 1 26 26 VAL N N 26 122.322 122.322 119.542 2.780 25601 6946 1 51 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 6947 1 51 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 6948 1 51 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 6949 1 51 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 6950 1 51 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 6951 1 51 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 6952 1 51 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 6953 1 51 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 6954 1 51 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 6955 1 51 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 6956 1 51 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 6957 1 51 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 6958 1 51 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 6959 1 51 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 6960 1 51 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 6961 1 51 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 6962 1 51 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 6963 1 51 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 6964 1 51 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 6965 1 51 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 6966 1 51 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 6967 1 51 . 1 1 39 39 ASP N N 39 113.748 113.748 116.366 -2.618 25601 6968 1 51 . 1 1 39 39 ASP H H 39 8.554 8.554 8.882 -0.328 25601 6969 1 51 . 1 1 40 40 GLN N N 40 117.015 117.015 117.408 -0.393 25601 6970 1 51 . 1 1 40 40 GLN H H 40 7.841 7.841 7.966 -0.125 25601 6971 1 51 . 1 1 41 41 GLN N N 41 118.149 118.149 119.860 -1.711 25601 6972 1 51 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 6973 1 51 . 1 1 42 42 ARG N N 42 123.178 123.178 124.064 -0.886 25601 6974 1 51 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 6975 1 51 . 1 1 43 43 LEU N N 43 124.593 124.593 124.729 -0.136 25601 6976 1 51 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 6977 1 51 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 6978 1 51 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 6979 1 51 . 1 1 45 45 PHE N N 45 125.152 125.152 124.218 0.934 25601 6980 1 51 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 6981 1 51 . 1 1 46 46 ALA N N 46 112.473 112.473 127.233 -14.760 25601 6982 1 51 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 6983 1 51 . 1 1 47 47 GLY N N 47 123.105 123.105 104.232 18.873 25601 6984 1 51 . 1 1 47 47 GLY H H 47 8.094 8.094 8.429 -0.335 25601 6985 1 51 . 1 1 48 48 CYS N N 48 122.066 122.066 119.531 2.535 25601 6986 1 51 . 1 1 48 48 CYS H H 48 8.001 8.001 7.986 0.015 25601 6987 1 51 . 1 1 49 49 GLN N N 49 123.249 123.249 122.837 0.412 25601 6988 1 51 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 6989 1 51 . 1 1 50 50 LEU N N 50 125.854 125.854 123.572 2.282 25601 6990 1 51 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 6991 1 51 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 6992 1 51 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 6993 1 51 . 1 1 52 52 ASP N N 52 120.548 120.548 125.149 -4.601 25601 6994 1 51 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 6995 1 51 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 6996 1 51 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 6997 1 51 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 6998 1 51 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 6999 1 51 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7000 1 51 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7001 1 51 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7002 1 51 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7003 1 51 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7004 1 51 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7005 1 51 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 7006 1 51 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7007 1 51 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7008 1 51 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7009 1 51 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7010 1 51 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7011 1 51 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7012 1 51 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7013 1 51 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7014 1 51 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7015 1 51 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7016 1 51 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7017 1 51 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7018 1 51 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7019 1 51 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7020 1 51 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7021 1 51 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7022 1 51 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7023 1 51 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7024 1 51 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7025 1 51 . 1 1 69 69 LEU N N 69 124.014 124.014 124.440 -0.426 25601 7026 1 51 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7027 1 51 . 1 1 70 70 VAL N N 70 127.016 127.016 121.504 5.512 25601 7028 1 51 . 1 1 70 70 VAL H H 70 9.197 9.197 8.854 0.343 25601 7029 1 51 . 1 1 71 71 LEU N N 71 123.344 123.344 123.745 -0.401 25601 7030 1 51 . 1 1 71 71 LEU H H 71 8.116 8.116 8.392 -0.276 25601 7031 1 51 . 1 1 72 72 ARG N N 72 123.792 123.792 118.835 4.957 25601 7032 1 51 . 1 1 72 72 ARG H H 72 8.624 8.624 8.829 -0.205 25601 7033 1 51 . 1 1 73 73 LEU N N 73 124.467 124.467 119.435 5.032 25601 7034 1 51 . 1 1 73 73 LEU H H 73 8.352 8.352 8.726 -0.374 25601 7035 1 51 . 1 1 74 74 ARG N N 74 122.301 122.301 121.155 1.146 25601 7036 1 51 . 1 1 74 74 ARG H H 74 8.487 8.487 8.196 0.291 25601 7037 1 51 . 1 1 75 75 GLY N N 75 111.035 111.035 108.546 2.489 25601 7038 1 51 . 1 1 75 75 GLY H H 75 8.568 8.568 8.065 0.503 25601 7039 1 52 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7040 1 52 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7041 1 52 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7042 1 52 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7043 1 52 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7044 1 52 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7045 1 52 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7046 1 52 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7047 1 52 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7048 1 52 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7049 1 52 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7050 1 52 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7051 1 52 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 7052 1 52 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7053 1 52 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7054 1 52 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7055 1 52 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7056 1 52 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7057 1 52 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7058 1 52 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7059 1 52 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7060 1 52 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7061 1 52 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7062 1 52 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7063 1 52 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7064 1 52 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7065 1 52 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7066 1 52 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7067 1 52 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7068 1 52 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7069 1 52 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 7070 1 52 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 7071 1 52 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 7072 1 52 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 7073 1 52 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 7074 1 52 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7075 1 52 . 1 1 21 21 ASP N N 21 124.036 124.036 123.532 0.504 25601 7076 1 52 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 7077 1 52 . 1 1 22 22 THR N N 22 109.090 109.090 112.410 -3.320 25601 7078 1 52 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 7079 1 52 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 7080 1 52 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7081 1 52 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 7082 1 52 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 7083 1 52 . 1 1 26 26 VAL N N 26 122.322 122.322 119.089 3.233 25601 7084 1 52 . 1 1 26 26 VAL H H 26 8.123 8.123 7.961 0.162 25601 7085 1 52 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 7086 1 52 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7087 1 52 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 7088 1 52 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7089 1 52 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 7090 1 52 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7091 1 52 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 7092 1 52 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7093 1 52 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7094 1 52 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7095 1 52 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7096 1 52 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7097 1 52 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7098 1 52 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7099 1 52 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7100 1 52 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7101 1 52 . 1 1 35 35 GLY N N 35 108.947 108.947 106.846 2.101 25601 7102 1 52 . 1 1 35 35 GLY H H 35 8.502 8.502 8.298 0.204 25601 7103 1 52 . 1 1 36 36 ILE N N 36 120.438 120.438 122.758 -2.320 25601 7104 1 52 . 1 1 36 36 ILE H H 36 6.186 6.186 7.800 -1.614 25601 7105 1 52 . 1 1 39 39 ASP N N 39 113.748 113.748 116.040 -2.292 25601 7106 1 52 . 1 1 39 39 ASP H H 39 8.554 8.554 8.699 -0.145 25601 7107 1 52 . 1 1 40 40 GLN N N 40 117.015 117.015 117.290 -0.275 25601 7108 1 52 . 1 1 40 40 GLN H H 40 7.841 7.841 7.831 0.010 25601 7109 1 52 . 1 1 41 41 GLN N N 41 118.149 118.149 119.866 -1.717 25601 7110 1 52 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 7111 1 52 . 1 1 42 42 ARG N N 42 123.178 123.178 124.130 -0.952 25601 7112 1 52 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 7113 1 52 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 7114 1 52 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 7115 1 52 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 7116 1 52 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 7117 1 52 . 1 1 45 45 PHE N N 45 125.152 125.152 124.200 0.952 25601 7118 1 52 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7119 1 52 . 1 1 46 46 ALA N N 46 112.473 112.473 127.216 -14.743 25601 7120 1 52 . 1 1 46 46 ALA H H 46 8.986 8.986 8.868 0.118 25601 7121 1 52 . 1 1 47 47 GLY N N 47 123.105 123.105 104.167 18.938 25601 7122 1 52 . 1 1 47 47 GLY H H 47 8.094 8.094 8.460 -0.366 25601 7123 1 52 . 1 1 48 48 CYS N N 48 122.066 122.066 119.507 2.559 25601 7124 1 52 . 1 1 48 48 CYS H H 48 8.001 8.001 7.961 0.040 25601 7125 1 52 . 1 1 49 49 GLN N N 49 123.249 123.249 123.506 -0.257 25601 7126 1 52 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 7127 1 52 . 1 1 50 50 LEU N N 50 125.854 125.854 123.545 2.309 25601 7128 1 52 . 1 1 50 50 LEU H H 50 8.576 8.576 8.574 0.002 25601 7129 1 52 . 1 1 51 51 GLU N N 51 123.307 123.307 121.201 2.106 25601 7130 1 52 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 7131 1 52 . 1 1 52 52 ASP N N 52 120.548 120.548 123.314 -2.766 25601 7132 1 52 . 1 1 52 52 ASP H H 52 8.166 8.166 8.712 -0.546 25601 7133 1 52 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 7134 1 52 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7135 1 52 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 7136 1 52 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7137 1 52 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7138 1 52 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7139 1 52 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7140 1 52 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7141 1 52 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7142 1 52 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7143 1 52 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 7144 1 52 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7145 1 52 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7146 1 52 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7147 1 52 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7148 1 52 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7149 1 52 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7150 1 52 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7151 1 52 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7152 1 52 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7153 1 52 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7154 1 52 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7155 1 52 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7156 1 52 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7157 1 52 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7158 1 52 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7159 1 52 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7160 1 52 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7161 1 52 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7162 1 52 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7163 1 52 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 7164 1 52 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7165 1 52 . 1 1 70 70 VAL N N 70 127.016 127.016 121.516 5.500 25601 7166 1 52 . 1 1 70 70 VAL H H 70 9.197 9.197 8.853 0.344 25601 7167 1 52 . 1 1 71 71 LEU N N 71 123.344 123.344 123.137 0.207 25601 7168 1 52 . 1 1 71 71 LEU H H 71 8.116 8.116 8.397 -0.281 25601 7169 1 52 . 1 1 72 72 ARG N N 72 123.792 123.792 120.806 2.986 25601 7170 1 52 . 1 1 72 72 ARG H H 72 8.624 8.624 8.645 -0.021 25601 7171 1 52 . 1 1 73 73 LEU N N 73 124.467 124.467 118.558 5.909 25601 7172 1 52 . 1 1 73 73 LEU H H 73 8.352 8.352 8.701 -0.349 25601 7173 1 52 . 1 1 74 74 ARG N N 74 122.301 122.301 119.808 2.493 25601 7174 1 52 . 1 1 74 74 ARG H H 74 8.487 8.487 8.698 -0.211 25601 7175 1 52 . 1 1 75 75 GLY N N 75 111.035 111.035 104.846 6.189 25601 7176 1 52 . 1 1 75 75 GLY H H 75 8.568 8.568 7.563 1.005 25601 7177 1 53 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7178 1 53 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7179 1 53 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7180 1 53 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7181 1 53 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7182 1 53 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7183 1 53 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7184 1 53 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7185 1 53 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7186 1 53 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7187 1 53 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7188 1 53 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7189 1 53 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 7190 1 53 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7191 1 53 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7192 1 53 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7193 1 53 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7194 1 53 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7195 1 53 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7196 1 53 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7197 1 53 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7198 1 53 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7199 1 53 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7200 1 53 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7201 1 53 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7202 1 53 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7203 1 53 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7204 1 53 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7205 1 53 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7206 1 53 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7207 1 53 . 1 1 17 17 VAL N N 17 117.729 117.729 120.513 -2.784 25601 7208 1 53 . 1 1 17 17 VAL H H 17 8.944 8.944 8.817 0.127 25601 7209 1 53 . 1 1 18 18 GLU N N 18 119.594 119.594 120.508 -0.914 25601 7210 1 53 . 1 1 18 18 GLU H H 18 8.700 8.700 8.222 0.478 25601 7211 1 53 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 7212 1 53 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7213 1 53 . 1 1 21 21 ASP N N 21 124.036 124.036 123.527 0.509 25601 7214 1 53 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 7215 1 53 . 1 1 22 22 THR N N 22 109.090 109.090 112.425 -3.335 25601 7216 1 53 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 7217 1 53 . 1 1 23 23 ILE N N 23 121.455 121.455 121.978 -0.523 25601 7218 1 53 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7219 1 53 . 1 1 25 25 CYS N N 25 121.510 121.510 118.029 3.481 25601 7220 1 53 . 1 1 25 25 CYS H H 25 7.940 7.940 8.001 -0.061 25601 7221 1 53 . 1 1 26 26 VAL N N 26 122.322 122.322 118.990 3.332 25601 7222 1 53 . 1 1 26 26 VAL H H 26 8.123 8.123 7.945 0.178 25601 7223 1 53 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 7224 1 53 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7225 1 53 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 7226 1 53 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7227 1 53 . 1 1 29 29 LYS N N 29 120.388 120.388 118.643 1.745 25601 7228 1 53 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7229 1 53 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 7230 1 53 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7231 1 53 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7232 1 53 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7233 1 53 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7234 1 53 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7235 1 53 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7236 1 53 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7237 1 53 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7238 1 53 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7239 1 53 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 7240 1 53 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 7241 1 53 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 7242 1 53 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 7243 1 53 . 1 1 39 39 ASP N N 39 113.748 113.748 116.267 -2.519 25601 7244 1 53 . 1 1 39 39 ASP H H 39 8.554 8.554 8.811 -0.257 25601 7245 1 53 . 1 1 40 40 GLN N N 40 117.015 117.015 117.321 -0.306 25601 7246 1 53 . 1 1 40 40 GLN H H 40 7.841 7.841 7.896 -0.055 25601 7247 1 53 . 1 1 41 41 GLN N N 41 118.149 118.149 119.872 -1.723 25601 7248 1 53 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 7249 1 53 . 1 1 42 42 ARG N N 42 123.178 123.178 124.056 -0.878 25601 7250 1 53 . 1 1 42 42 ARG H H 42 8.514 8.514 8.633 -0.119 25601 7251 1 53 . 1 1 43 43 LEU N N 43 124.593 124.593 124.731 -0.138 25601 7252 1 53 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 7253 1 53 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 7254 1 53 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 7255 1 53 . 1 1 45 45 PHE N N 45 125.152 125.152 124.204 0.948 25601 7256 1 53 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7257 1 53 . 1 1 46 46 ALA N N 46 112.473 112.473 127.219 -14.746 25601 7258 1 53 . 1 1 46 46 ALA H H 46 8.986 8.986 8.867 0.119 25601 7259 1 53 . 1 1 47 47 GLY N N 47 123.105 123.105 104.396 18.709 25601 7260 1 53 . 1 1 47 47 GLY H H 47 8.094 8.094 8.429 -0.335 25601 7261 1 53 . 1 1 48 48 CYS N N 48 122.066 122.066 119.681 2.385 25601 7262 1 53 . 1 1 48 48 CYS H H 48 8.001 8.001 7.965 0.036 25601 7263 1 53 . 1 1 49 49 GLN N N 49 123.249 123.249 121.428 1.821 25601 7264 1 53 . 1 1 49 49 GLN H H 49 8.641 8.641 8.593 0.048 25601 7265 1 53 . 1 1 50 50 LEU N N 50 125.854 125.854 123.593 2.261 25601 7266 1 53 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 7267 1 53 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 7268 1 53 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 7269 1 53 . 1 1 52 52 ASP N N 52 120.548 120.548 123.281 -2.733 25601 7270 1 53 . 1 1 52 52 ASP H H 52 8.166 8.166 8.754 -0.588 25601 7271 1 53 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 7272 1 53 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7273 1 53 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 7274 1 53 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7275 1 53 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7276 1 53 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7277 1 53 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7278 1 53 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7279 1 53 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7280 1 53 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7281 1 53 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 7282 1 53 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7283 1 53 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7284 1 53 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7285 1 53 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7286 1 53 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7287 1 53 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7288 1 53 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7289 1 53 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7290 1 53 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7291 1 53 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7292 1 53 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7293 1 53 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7294 1 53 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7295 1 53 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7296 1 53 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7297 1 53 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7298 1 53 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7299 1 53 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7300 1 53 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7301 1 53 . 1 1 69 69 LEU N N 69 124.014 124.014 124.438 -0.424 25601 7302 1 53 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7303 1 53 . 1 1 70 70 VAL N N 70 127.016 127.016 121.500 5.516 25601 7304 1 53 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 7305 1 53 . 1 1 71 71 LEU N N 71 123.344 123.344 122.108 1.236 25601 7306 1 53 . 1 1 71 71 LEU H H 71 8.116 8.116 8.296 -0.180 25601 7307 1 53 . 1 1 72 72 ARG N N 72 123.792 123.792 121.978 1.814 25601 7308 1 53 . 1 1 72 72 ARG H H 72 8.624 8.624 8.729 -0.105 25601 7309 1 53 . 1 1 73 73 LEU N N 73 124.467 124.467 117.717 6.750 25601 7310 1 53 . 1 1 73 73 LEU H H 73 8.352 8.352 7.868 0.484 25601 7311 1 53 . 1 1 74 74 ARG N N 74 122.301 122.301 121.206 1.095 25601 7312 1 53 . 1 1 74 74 ARG H H 74 8.487 8.487 8.314 0.173 25601 7313 1 53 . 1 1 75 75 GLY N N 75 111.035 111.035 108.813 2.222 25601 7314 1 53 . 1 1 75 75 GLY H H 75 8.568 8.568 8.371 0.197 25601 7315 1 54 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7316 1 54 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7317 1 54 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7318 1 54 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7319 1 54 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7320 1 54 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7321 1 54 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7322 1 54 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7323 1 54 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7324 1 54 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7325 1 54 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7326 1 54 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7327 1 54 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 7328 1 54 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7329 1 54 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7330 1 54 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7331 1 54 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7332 1 54 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7333 1 54 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7334 1 54 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7335 1 54 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7336 1 54 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7337 1 54 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7338 1 54 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7339 1 54 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7340 1 54 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7341 1 54 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7342 1 54 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7343 1 54 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7344 1 54 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7345 1 54 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 7346 1 54 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 7347 1 54 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 7348 1 54 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 7349 1 54 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 7350 1 54 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7351 1 54 . 1 1 21 21 ASP N N 21 124.036 124.036 122.767 1.269 25601 7352 1 54 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 7353 1 54 . 1 1 22 22 THR N N 22 109.090 109.090 113.370 -4.280 25601 7354 1 54 . 1 1 22 22 THR H H 22 7.886 7.886 8.319 -0.433 25601 7355 1 54 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 7356 1 54 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7357 1 54 . 1 1 25 25 CYS N N 25 121.510 121.510 118.054 3.456 25601 7358 1 54 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 7359 1 54 . 1 1 26 26 VAL N N 26 122.322 122.322 119.042 3.280 25601 7360 1 54 . 1 1 26 26 VAL H H 26 8.123 8.123 7.954 0.169 25601 7361 1 54 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 7362 1 54 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7363 1 54 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 7364 1 54 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7365 1 54 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 7366 1 54 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7367 1 54 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 7368 1 54 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7369 1 54 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7370 1 54 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7371 1 54 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7372 1 54 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7373 1 54 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7374 1 54 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7375 1 54 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7376 1 54 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7377 1 54 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 7378 1 54 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 7379 1 54 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 7380 1 54 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 7381 1 54 . 1 1 39 39 ASP N N 39 113.748 113.748 116.286 -2.538 25601 7382 1 54 . 1 1 39 39 ASP H H 39 8.554 8.554 8.775 -0.221 25601 7383 1 54 . 1 1 40 40 GLN N N 40 117.015 117.015 117.260 -0.245 25601 7384 1 54 . 1 1 40 40 GLN H H 40 7.841 7.841 7.874 -0.033 25601 7385 1 54 . 1 1 41 41 GLN N N 41 118.149 118.149 119.869 -1.720 25601 7386 1 54 . 1 1 41 41 GLN H H 41 7.494 7.494 7.511 -0.017 25601 7387 1 54 . 1 1 42 42 ARG N N 42 123.178 123.178 124.076 -0.898 25601 7388 1 54 . 1 1 42 42 ARG H H 42 8.514 8.514 8.632 -0.118 25601 7389 1 54 . 1 1 43 43 LEU N N 43 124.593 124.593 124.729 -0.136 25601 7390 1 54 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 7391 1 54 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 7392 1 54 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 7393 1 54 . 1 1 45 45 PHE N N 45 125.152 125.152 124.206 0.946 25601 7394 1 54 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7395 1 54 . 1 1 46 46 ALA N N 46 112.473 112.473 127.221 -14.748 25601 7396 1 54 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 7397 1 54 . 1 1 47 47 GLY N N 47 123.105 123.105 104.405 18.700 25601 7398 1 54 . 1 1 47 47 GLY H H 47 8.094 8.094 8.429 -0.335 25601 7399 1 54 . 1 1 48 48 CYS N N 48 122.066 122.066 119.684 2.382 25601 7400 1 54 . 1 1 48 48 CYS H H 48 8.001 8.001 7.966 0.035 25601 7401 1 54 . 1 1 49 49 GLN N N 49 123.249 123.249 121.432 1.817 25601 7402 1 54 . 1 1 49 49 GLN H H 49 8.641 8.641 8.592 0.049 25601 7403 1 54 . 1 1 50 50 LEU N N 50 125.854 125.854 123.582 2.272 25601 7404 1 54 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 7405 1 54 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 7406 1 54 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 7407 1 54 . 1 1 52 52 ASP N N 52 120.548 120.548 125.147 -4.599 25601 7408 1 54 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 7409 1 54 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 7410 1 54 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7411 1 54 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 7412 1 54 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7413 1 54 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7414 1 54 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7415 1 54 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7416 1 54 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7417 1 54 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7418 1 54 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7419 1 54 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 7420 1 54 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7421 1 54 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7422 1 54 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7423 1 54 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7424 1 54 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7425 1 54 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7426 1 54 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7427 1 54 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7428 1 54 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7429 1 54 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7430 1 54 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7431 1 54 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7432 1 54 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7433 1 54 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7434 1 54 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7435 1 54 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7436 1 54 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7437 1 54 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7438 1 54 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7439 1 54 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 7440 1 54 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7441 1 54 . 1 1 70 70 VAL N N 70 127.016 127.016 121.525 5.491 25601 7442 1 54 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 7443 1 54 . 1 1 71 71 LEU N N 71 123.344 123.344 122.996 0.348 25601 7444 1 54 . 1 1 71 71 LEU H H 71 8.116 8.116 8.417 -0.301 25601 7445 1 54 . 1 1 72 72 ARG N N 72 123.792 123.792 123.537 0.255 25601 7446 1 54 . 1 1 72 72 ARG H H 72 8.624 8.624 8.694 -0.070 25601 7447 1 54 . 1 1 73 73 LEU N N 73 124.467 124.467 121.467 3.000 25601 7448 1 54 . 1 1 73 73 LEU H H 73 8.352 8.352 8.327 0.025 25601 7449 1 54 . 1 1 74 74 ARG N N 74 122.301 122.301 122.353 -0.052 25601 7450 1 54 . 1 1 74 74 ARG H H 74 8.487 8.487 8.959 -0.472 25601 7451 1 54 . 1 1 75 75 GLY N N 75 111.035 111.035 104.923 6.112 25601 7452 1 54 . 1 1 75 75 GLY H H 75 8.568 8.568 7.949 0.619 25601 7453 1 55 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7454 1 55 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7455 1 55 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7456 1 55 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7457 1 55 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7458 1 55 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7459 1 55 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7460 1 55 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7461 1 55 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7462 1 55 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7463 1 55 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7464 1 55 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7465 1 55 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 7466 1 55 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7467 1 55 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7468 1 55 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7469 1 55 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7470 1 55 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7471 1 55 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7472 1 55 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7473 1 55 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7474 1 55 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7475 1 55 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7476 1 55 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7477 1 55 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7478 1 55 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7479 1 55 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7480 1 55 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7481 1 55 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7482 1 55 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7483 1 55 . 1 1 17 17 VAL N N 17 117.729 117.729 120.540 -2.811 25601 7484 1 55 . 1 1 17 17 VAL H H 17 8.944 8.944 8.820 0.124 25601 7485 1 55 . 1 1 18 18 GLU N N 18 119.594 119.594 120.447 -0.853 25601 7486 1 55 . 1 1 18 18 GLU H H 18 8.700 8.700 8.234 0.466 25601 7487 1 55 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 7488 1 55 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7489 1 55 . 1 1 21 21 ASP N N 21 124.036 124.036 122.719 1.317 25601 7490 1 55 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 7491 1 55 . 1 1 22 22 THR N N 22 109.090 109.090 113.462 -4.372 25601 7492 1 55 . 1 1 22 22 THR H H 22 7.886 7.886 8.327 -0.441 25601 7493 1 55 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 7494 1 55 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7495 1 55 . 1 1 25 25 CYS N N 25 121.510 121.510 117.832 3.678 25601 7496 1 55 . 1 1 25 25 CYS H H 25 7.940 7.940 7.899 0.041 25601 7497 1 55 . 1 1 26 26 VAL N N 26 122.322 122.322 119.606 2.716 25601 7498 1 55 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 7499 1 55 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 7500 1 55 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7501 1 55 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 7502 1 55 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7503 1 55 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 7504 1 55 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7505 1 55 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 7506 1 55 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7507 1 55 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7508 1 55 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7509 1 55 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7510 1 55 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7511 1 55 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7512 1 55 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7513 1 55 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7514 1 55 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7515 1 55 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 7516 1 55 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 7517 1 55 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 7518 1 55 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 7519 1 55 . 1 1 39 39 ASP N N 39 113.748 113.748 115.902 -2.154 25601 7520 1 55 . 1 1 39 39 ASP H H 39 8.554 8.554 8.587 -0.033 25601 7521 1 55 . 1 1 40 40 GLN N N 40 117.015 117.015 117.313 -0.298 25601 7522 1 55 . 1 1 40 40 GLN H H 40 7.841 7.841 7.881 -0.040 25601 7523 1 55 . 1 1 41 41 GLN N N 41 118.149 118.149 119.819 -1.670 25601 7524 1 55 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 7525 1 55 . 1 1 42 42 ARG N N 42 123.178 123.178 124.088 -0.910 25601 7526 1 55 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 7527 1 55 . 1 1 43 43 LEU N N 43 124.593 124.593 124.719 -0.126 25601 7528 1 55 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.090 25601 7529 1 55 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 7530 1 55 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 7531 1 55 . 1 1 45 45 PHE N N 45 125.152 125.152 124.218 0.934 25601 7532 1 55 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7533 1 55 . 1 1 46 46 ALA N N 46 112.473 112.473 127.232 -14.759 25601 7534 1 55 . 1 1 46 46 ALA H H 46 8.986 8.986 8.875 0.111 25601 7535 1 55 . 1 1 47 47 GLY N N 47 123.105 123.105 104.262 18.843 25601 7536 1 55 . 1 1 47 47 GLY H H 47 8.094 8.094 8.418 -0.324 25601 7537 1 55 . 1 1 48 48 CYS N N 48 122.066 122.066 119.618 2.448 25601 7538 1 55 . 1 1 48 48 CYS H H 48 8.001 8.001 7.991 0.010 25601 7539 1 55 . 1 1 49 49 GLN N N 49 123.249 123.249 122.329 0.920 25601 7540 1 55 . 1 1 49 49 GLN H H 49 8.641 8.641 8.583 0.058 25601 7541 1 55 . 1 1 50 50 LEU N N 50 125.854 125.854 123.580 2.274 25601 7542 1 55 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 7543 1 55 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 7544 1 55 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 7545 1 55 . 1 1 52 52 ASP N N 52 120.548 120.548 123.388 -2.840 25601 7546 1 55 . 1 1 52 52 ASP H H 52 8.166 8.166 8.752 -0.586 25601 7547 1 55 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 7548 1 55 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7549 1 55 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 7550 1 55 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7551 1 55 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7552 1 55 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7553 1 55 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7554 1 55 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7555 1 55 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7556 1 55 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7557 1 55 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 7558 1 55 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7559 1 55 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7560 1 55 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7561 1 55 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7562 1 55 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7563 1 55 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7564 1 55 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7565 1 55 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7566 1 55 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7567 1 55 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7568 1 55 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7569 1 55 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7570 1 55 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7571 1 55 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7572 1 55 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7573 1 55 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7574 1 55 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7575 1 55 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7576 1 55 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7577 1 55 . 1 1 69 69 LEU N N 69 124.014 124.014 124.437 -0.423 25601 7578 1 55 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7579 1 55 . 1 1 70 70 VAL N N 70 127.016 127.016 121.507 5.509 25601 7580 1 55 . 1 1 70 70 VAL H H 70 9.197 9.197 8.866 0.331 25601 7581 1 55 . 1 1 71 71 LEU N N 71 123.344 123.344 123.839 -0.495 25601 7582 1 55 . 1 1 71 71 LEU H H 71 8.116 8.116 8.410 -0.294 25601 7583 1 55 . 1 1 72 72 ARG N N 72 123.792 123.792 121.417 2.375 25601 7584 1 55 . 1 1 72 72 ARG H H 72 8.624 8.624 8.610 0.014 25601 7585 1 55 . 1 1 73 73 LEU N N 73 124.467 124.467 117.933 6.534 25601 7586 1 55 . 1 1 73 73 LEU H H 73 8.352 8.352 8.661 -0.309 25601 7587 1 55 . 1 1 74 74 ARG N N 74 122.301 122.301 117.977 4.324 25601 7588 1 55 . 1 1 74 74 ARG H H 74 8.487 8.487 8.098 0.389 25601 7589 1 55 . 1 1 75 75 GLY N N 75 111.035 111.035 106.357 4.678 25601 7590 1 55 . 1 1 75 75 GLY H H 75 8.568 8.568 7.753 0.815 25601 7591 1 56 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7592 1 56 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7593 1 56 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7594 1 56 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7595 1 56 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7596 1 56 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7597 1 56 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7598 1 56 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7599 1 56 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7600 1 56 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7601 1 56 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7602 1 56 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7603 1 56 . 1 1 8 8 LEU N N 8 121.449 121.449 118.603 2.846 25601 7604 1 56 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7605 1 56 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7606 1 56 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7607 1 56 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7608 1 56 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7609 1 56 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7610 1 56 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7611 1 56 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7612 1 56 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7613 1 56 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7614 1 56 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7615 1 56 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7616 1 56 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7617 1 56 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7618 1 56 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7619 1 56 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7620 1 56 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7621 1 56 . 1 1 17 17 VAL N N 17 117.729 117.729 120.521 -2.792 25601 7622 1 56 . 1 1 17 17 VAL H H 17 8.944 8.944 8.818 0.126 25601 7623 1 56 . 1 1 18 18 GLU N N 18 119.594 119.594 120.489 -0.895 25601 7624 1 56 . 1 1 18 18 GLU H H 18 8.700 8.700 8.226 0.474 25601 7625 1 56 . 1 1 20 20 SER N N 20 124.154 124.154 111.621 12.533 25601 7626 1 56 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7627 1 56 . 1 1 21 21 ASP N N 21 124.036 124.036 122.721 1.315 25601 7628 1 56 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 7629 1 56 . 1 1 22 22 THR N N 22 109.090 109.090 113.444 -4.354 25601 7630 1 56 . 1 1 22 22 THR H H 22 7.886 7.886 8.323 -0.437 25601 7631 1 56 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 7632 1 56 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7633 1 56 . 1 1 25 25 CYS N N 25 121.510 121.510 117.845 3.665 25601 7634 1 56 . 1 1 25 25 CYS H H 25 7.940 7.940 7.902 0.038 25601 7635 1 56 . 1 1 26 26 VAL N N 26 122.322 122.322 119.567 2.755 25601 7636 1 56 . 1 1 26 26 VAL H H 26 8.123 8.123 7.919 0.204 25601 7637 1 56 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 7638 1 56 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7639 1 56 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 7640 1 56 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7641 1 56 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 7642 1 56 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7643 1 56 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 7644 1 56 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7645 1 56 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7646 1 56 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7647 1 56 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7648 1 56 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7649 1 56 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7650 1 56 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7651 1 56 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7652 1 56 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7653 1 56 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 7654 1 56 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 7655 1 56 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 7656 1 56 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 7657 1 56 . 1 1 39 39 ASP N N 39 113.748 113.748 116.404 -2.656 25601 7658 1 56 . 1 1 39 39 ASP H H 39 8.554 8.554 8.807 -0.253 25601 7659 1 56 . 1 1 40 40 GLN N N 40 117.015 117.015 117.422 -0.407 25601 7660 1 56 . 1 1 40 40 GLN H H 40 7.841 7.841 7.901 -0.060 25601 7661 1 56 . 1 1 41 41 GLN N N 41 118.149 118.149 119.908 -1.759 25601 7662 1 56 . 1 1 41 41 GLN H H 41 7.494 7.494 7.513 -0.019 25601 7663 1 56 . 1 1 42 42 ARG N N 42 123.178 123.178 124.103 -0.925 25601 7664 1 56 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 7665 1 56 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 7666 1 56 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 7667 1 56 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 7668 1 56 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 7669 1 56 . 1 1 45 45 PHE N N 45 125.152 125.152 124.216 0.936 25601 7670 1 56 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7671 1 56 . 1 1 46 46 ALA N N 46 112.473 112.473 127.231 -14.758 25601 7672 1 56 . 1 1 46 46 ALA H H 46 8.986 8.986 8.874 0.112 25601 7673 1 56 . 1 1 47 47 GLY N N 47 123.105 123.105 104.214 18.891 25601 7674 1 56 . 1 1 47 47 GLY H H 47 8.094 8.094 8.463 -0.369 25601 7675 1 56 . 1 1 48 48 CYS N N 48 122.066 122.066 119.508 2.558 25601 7676 1 56 . 1 1 48 48 CYS H H 48 8.001 8.001 7.961 0.040 25601 7677 1 56 . 1 1 49 49 GLN N N 49 123.249 123.249 123.526 -0.277 25601 7678 1 56 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 7679 1 56 . 1 1 50 50 LEU N N 50 125.854 125.854 123.592 2.262 25601 7680 1 56 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 7681 1 56 . 1 1 51 51 GLU N N 51 123.307 123.307 121.198 2.109 25601 7682 1 56 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 7683 1 56 . 1 1 52 52 ASP N N 52 120.548 120.548 125.144 -4.596 25601 7684 1 56 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 7685 1 56 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 7686 1 56 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7687 1 56 . 1 1 55 55 THR N N 55 109.015 109.015 111.881 -2.866 25601 7688 1 56 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7689 1 56 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7690 1 56 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7691 1 56 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7692 1 56 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7693 1 56 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7694 1 56 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7695 1 56 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 7696 1 56 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7697 1 56 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7698 1 56 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7699 1 56 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7700 1 56 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7701 1 56 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7702 1 56 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7703 1 56 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7704 1 56 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7705 1 56 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7706 1 56 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7707 1 56 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7708 1 56 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7709 1 56 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7710 1 56 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7711 1 56 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7712 1 56 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7713 1 56 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7714 1 56 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7715 1 56 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 7716 1 56 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7717 1 56 . 1 1 70 70 VAL N N 70 127.016 127.016 121.511 5.505 25601 7718 1 56 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 7719 1 56 . 1 1 71 71 LEU N N 71 123.344 123.344 122.541 0.803 25601 7720 1 56 . 1 1 71 71 LEU H H 71 8.116 8.116 8.266 -0.150 25601 7721 1 56 . 1 1 72 72 ARG N N 72 123.792 123.792 122.642 1.150 25601 7722 1 56 . 1 1 72 72 ARG H H 72 8.624 8.624 8.779 -0.155 25601 7723 1 56 . 1 1 73 73 LEU N N 73 124.467 124.467 115.073 9.394 25601 7724 1 56 . 1 1 73 73 LEU H H 73 8.352 8.352 7.622 0.730 25601 7725 1 56 . 1 1 74 74 ARG N N 74 122.301 122.301 120.327 1.974 25601 7726 1 56 . 1 1 74 74 ARG H H 74 8.487 8.487 8.398 0.089 25601 7727 1 56 . 1 1 75 75 GLY N N 75 111.035 111.035 107.445 3.590 25601 7728 1 56 . 1 1 75 75 GLY H H 75 8.568 8.568 8.220 0.348 25601 7729 1 57 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7730 1 57 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7731 1 57 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7732 1 57 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7733 1 57 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7734 1 57 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7735 1 57 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7736 1 57 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7737 1 57 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7738 1 57 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7739 1 57 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7740 1 57 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7741 1 57 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 7742 1 57 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7743 1 57 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7744 1 57 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7745 1 57 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7746 1 57 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7747 1 57 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7748 1 57 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7749 1 57 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7750 1 57 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7751 1 57 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7752 1 57 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7753 1 57 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7754 1 57 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7755 1 57 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7756 1 57 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7757 1 57 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7758 1 57 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7759 1 57 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 7760 1 57 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 7761 1 57 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 7762 1 57 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 7763 1 57 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 7764 1 57 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7765 1 57 . 1 1 21 21 ASP N N 21 124.036 124.036 122.721 1.315 25601 7766 1 57 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 7767 1 57 . 1 1 22 22 THR N N 22 109.090 109.090 113.459 -4.369 25601 7768 1 57 . 1 1 22 22 THR H H 22 7.886 7.886 8.322 -0.436 25601 7769 1 57 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 7770 1 57 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7771 1 57 . 1 1 25 25 CYS N N 25 121.510 121.510 117.966 3.544 25601 7772 1 57 . 1 1 25 25 CYS H H 25 7.940 7.940 7.977 -0.037 25601 7773 1 57 . 1 1 26 26 VAL N N 26 122.322 122.322 118.991 3.331 25601 7774 1 57 . 1 1 26 26 VAL H H 26 8.123 8.123 7.929 0.194 25601 7775 1 57 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 7776 1 57 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7777 1 57 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 7778 1 57 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7779 1 57 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 7780 1 57 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7781 1 57 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 7782 1 57 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7783 1 57 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7784 1 57 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7785 1 57 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7786 1 57 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7787 1 57 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7788 1 57 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7789 1 57 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7790 1 57 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7791 1 57 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 7792 1 57 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 7793 1 57 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 7794 1 57 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 7795 1 57 . 1 1 39 39 ASP N N 39 113.748 113.748 116.422 -2.674 25601 7796 1 57 . 1 1 39 39 ASP H H 39 8.554 8.554 8.825 -0.271 25601 7797 1 57 . 1 1 40 40 GLN N N 40 117.015 117.015 117.330 -0.315 25601 7798 1 57 . 1 1 40 40 GLN H H 40 7.841 7.841 7.913 -0.072 25601 7799 1 57 . 1 1 41 41 GLN N N 41 118.149 118.149 119.882 -1.733 25601 7800 1 57 . 1 1 41 41 GLN H H 41 7.494 7.494 7.512 -0.018 25601 7801 1 57 . 1 1 42 42 ARG N N 42 123.178 123.178 124.084 -0.906 25601 7802 1 57 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 7803 1 57 . 1 1 43 43 LEU N N 43 124.593 124.593 124.731 -0.138 25601 7804 1 57 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 7805 1 57 . 1 1 44 44 ILE N N 44 122.637 122.637 121.397 1.240 25601 7806 1 57 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 7807 1 57 . 1 1 45 45 PHE N N 45 125.152 125.152 124.219 0.933 25601 7808 1 57 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7809 1 57 . 1 1 46 46 ALA N N 46 112.473 112.473 127.236 -14.763 25601 7810 1 57 . 1 1 46 46 ALA H H 46 8.986 8.986 8.881 0.105 25601 7811 1 57 . 1 1 47 47 GLY N N 47 123.105 123.105 104.284 18.821 25601 7812 1 57 . 1 1 47 47 GLY H H 47 8.094 8.094 8.475 -0.381 25601 7813 1 57 . 1 1 48 48 CYS N N 48 122.066 122.066 119.515 2.551 25601 7814 1 57 . 1 1 48 48 CYS H H 48 8.001 8.001 7.957 0.044 25601 7815 1 57 . 1 1 49 49 GLN N N 49 123.249 123.249 123.566 -0.317 25601 7816 1 57 . 1 1 49 49 GLN H H 49 8.641 8.641 8.577 0.064 25601 7817 1 57 . 1 1 50 50 LEU N N 50 125.854 125.854 123.495 2.359 25601 7818 1 57 . 1 1 50 50 LEU H H 50 8.576 8.576 8.577 -0.001 25601 7819 1 57 . 1 1 51 51 GLU N N 51 123.307 123.307 121.204 2.103 25601 7820 1 57 . 1 1 51 51 GLU H H 51 8.391 8.391 8.327 0.064 25601 7821 1 57 . 1 1 52 52 ASP N N 52 120.548 120.548 125.158 -4.610 25601 7822 1 57 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 7823 1 57 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 7824 1 57 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7825 1 57 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 7826 1 57 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7827 1 57 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7828 1 57 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7829 1 57 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7830 1 57 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7831 1 57 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7832 1 57 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7833 1 57 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 7834 1 57 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7835 1 57 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7836 1 57 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7837 1 57 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7838 1 57 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7839 1 57 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7840 1 57 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7841 1 57 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7842 1 57 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7843 1 57 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7844 1 57 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7845 1 57 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7846 1 57 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7847 1 57 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7848 1 57 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7849 1 57 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7850 1 57 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7851 1 57 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7852 1 57 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7853 1 57 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 7854 1 57 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7855 1 57 . 1 1 70 70 VAL N N 70 127.016 127.016 121.521 5.495 25601 7856 1 57 . 1 1 70 70 VAL H H 70 9.197 9.197 8.854 0.343 25601 7857 1 57 . 1 1 71 71 LEU N N 71 123.344 123.344 123.736 -0.392 25601 7858 1 57 . 1 1 71 71 LEU H H 71 8.116 8.116 7.929 0.187 25601 7859 1 57 . 1 1 72 72 ARG N N 72 123.792 123.792 125.543 -1.751 25601 7860 1 57 . 1 1 72 72 ARG H H 72 8.624 8.624 8.734 -0.110 25601 7861 1 57 . 1 1 73 73 LEU N N 73 124.467 124.467 115.579 8.888 25601 7862 1 57 . 1 1 73 73 LEU H H 73 8.352 8.352 7.682 0.670 25601 7863 1 57 . 1 1 74 74 ARG N N 74 122.301 122.301 118.481 3.820 25601 7864 1 57 . 1 1 74 74 ARG H H 74 8.487 8.487 8.447 0.040 25601 7865 1 57 . 1 1 75 75 GLY N N 75 111.035 111.035 107.222 3.813 25601 7866 1 57 . 1 1 75 75 GLY H H 75 8.568 8.568 8.063 0.505 25601 7867 1 58 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 7868 1 58 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 7869 1 58 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 7870 1 58 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 7871 1 58 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 7872 1 58 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7873 1 58 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 7874 1 58 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 7875 1 58 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 7876 1 58 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 7877 1 58 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 7878 1 58 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 7879 1 58 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 7880 1 58 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 7881 1 58 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 7882 1 58 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 7883 1 58 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 7884 1 58 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 7885 1 58 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 7886 1 58 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 7887 1 58 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 7888 1 58 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 7889 1 58 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 7890 1 58 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 7891 1 58 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 7892 1 58 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 7893 1 58 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 7894 1 58 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 7895 1 58 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 7896 1 58 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 7897 1 58 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 7898 1 58 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 7899 1 58 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 7900 1 58 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 7901 1 58 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 7902 1 58 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 7903 1 58 . 1 1 21 21 ASP N N 21 124.036 124.036 123.531 0.505 25601 7904 1 58 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 7905 1 58 . 1 1 22 22 THR N N 22 109.090 109.090 112.414 -3.324 25601 7906 1 58 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 7907 1 58 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 7908 1 58 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 7909 1 58 . 1 1 25 25 CYS N N 25 121.510 121.510 118.051 3.459 25601 7910 1 58 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 7911 1 58 . 1 1 26 26 VAL N N 26 122.322 122.322 119.032 3.290 25601 7912 1 58 . 1 1 26 26 VAL H H 26 8.123 8.123 7.953 0.170 25601 7913 1 58 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 7914 1 58 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 7915 1 58 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 7916 1 58 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 7917 1 58 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 7918 1 58 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 7919 1 58 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 7920 1 58 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 7921 1 58 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 7922 1 58 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 7923 1 58 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 7924 1 58 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 7925 1 58 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 7926 1 58 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 7927 1 58 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 7928 1 58 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 7929 1 58 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 7930 1 58 . 1 1 35 35 GLY H H 35 8.502 8.502 8.298 0.204 25601 7931 1 58 . 1 1 36 36 ILE N N 36 120.438 120.438 122.758 -2.320 25601 7932 1 58 . 1 1 36 36 ILE H H 36 6.186 6.186 7.800 -1.614 25601 7933 1 58 . 1 1 39 39 ASP N N 39 113.748 113.748 116.065 -2.317 25601 7934 1 58 . 1 1 39 39 ASP H H 39 8.554 8.554 8.741 -0.187 25601 7935 1 58 . 1 1 40 40 GLN N N 40 117.015 117.015 117.270 -0.255 25601 7936 1 58 . 1 1 40 40 GLN H H 40 7.841 7.841 7.847 -0.006 25601 7937 1 58 . 1 1 41 41 GLN N N 41 118.149 118.149 119.834 -1.685 25601 7938 1 58 . 1 1 41 41 GLN H H 41 7.494 7.494 7.506 -0.012 25601 7939 1 58 . 1 1 42 42 ARG N N 42 123.178 123.178 124.137 -0.959 25601 7940 1 58 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 7941 1 58 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 7942 1 58 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 7943 1 58 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 7944 1 58 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 7945 1 58 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 7946 1 58 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 7947 1 58 . 1 1 46 46 ALA N N 46 112.473 112.473 127.231 -14.758 25601 7948 1 58 . 1 1 46 46 ALA H H 46 8.986 8.986 8.872 0.114 25601 7949 1 58 . 1 1 47 47 GLY N N 47 123.105 123.105 104.316 18.789 25601 7950 1 58 . 1 1 47 47 GLY H H 47 8.094 8.094 8.415 -0.321 25601 7951 1 58 . 1 1 48 48 CYS N N 48 122.066 122.066 119.714 2.352 25601 7952 1 58 . 1 1 48 48 CYS H H 48 8.001 8.001 7.986 0.015 25601 7953 1 58 . 1 1 49 49 GLN N N 49 123.249 123.249 121.804 1.445 25601 7954 1 58 . 1 1 49 49 GLN H H 49 8.641 8.641 8.589 0.052 25601 7955 1 58 . 1 1 50 50 LEU N N 50 125.854 125.854 123.629 2.225 25601 7956 1 58 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 7957 1 58 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 7958 1 58 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 7959 1 58 . 1 1 52 52 ASP N N 52 120.548 120.548 123.446 -2.898 25601 7960 1 58 . 1 1 52 52 ASP H H 52 8.166 8.166 8.739 -0.573 25601 7961 1 58 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 7962 1 58 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 7963 1 58 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 7964 1 58 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 7965 1 58 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 7966 1 58 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 7967 1 58 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 7968 1 58 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 7969 1 58 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 7970 1 58 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 7971 1 58 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 7972 1 58 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 7973 1 58 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 7974 1 58 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 7975 1 58 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 7976 1 58 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 7977 1 58 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 7978 1 58 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 7979 1 58 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 7980 1 58 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 7981 1 58 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 7982 1 58 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 7983 1 58 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 7984 1 58 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 7985 1 58 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 7986 1 58 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 7987 1 58 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 7988 1 58 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 7989 1 58 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 7990 1 58 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 7991 1 58 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 7992 1 58 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 7993 1 58 . 1 1 70 70 VAL N N 70 127.016 127.016 121.539 5.477 25601 7994 1 58 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 7995 1 58 . 1 1 71 71 LEU N N 71 123.344 123.344 121.965 1.379 25601 7996 1 58 . 1 1 71 71 LEU H H 71 8.116 8.116 8.304 -0.188 25601 7997 1 58 . 1 1 72 72 ARG N N 72 123.792 123.792 122.239 1.553 25601 7998 1 58 . 1 1 72 72 ARG H H 72 8.624 8.624 8.739 -0.115 25601 7999 1 58 . 1 1 73 73 LEU N N 73 124.467 124.467 116.426 8.041 25601 8000 1 58 . 1 1 73 73 LEU H H 73 8.352 8.352 7.680 0.672 25601 8001 1 58 . 1 1 74 74 ARG N N 74 122.301 122.301 121.374 0.927 25601 8002 1 58 . 1 1 74 74 ARG H H 74 8.487 8.487 8.369 0.118 25601 8003 1 58 . 1 1 75 75 GLY N N 75 111.035 111.035 107.796 3.239 25601 8004 1 58 . 1 1 75 75 GLY H H 75 8.568 8.568 8.354 0.214 25601 8005 1 59 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8006 1 59 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8007 1 59 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8008 1 59 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8009 1 59 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8010 1 59 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8011 1 59 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8012 1 59 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8013 1 59 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8014 1 59 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8015 1 59 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8016 1 59 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8017 1 59 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8018 1 59 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8019 1 59 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8020 1 59 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8021 1 59 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8022 1 59 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8023 1 59 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8024 1 59 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8025 1 59 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8026 1 59 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8027 1 59 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8028 1 59 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8029 1 59 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8030 1 59 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8031 1 59 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8032 1 59 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8033 1 59 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8034 1 59 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8035 1 59 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 8036 1 59 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 8037 1 59 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 8038 1 59 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 8039 1 59 . 1 1 20 20 SER N N 20 124.154 124.154 111.624 12.530 25601 8040 1 59 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8041 1 59 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 8042 1 59 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 8043 1 59 . 1 1 22 22 THR N N 22 109.090 109.090 112.416 -3.326 25601 8044 1 59 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 8045 1 59 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 8046 1 59 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8047 1 59 . 1 1 25 25 CYS N N 25 121.510 121.510 118.047 3.463 25601 8048 1 59 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 8049 1 59 . 1 1 26 26 VAL N N 26 122.322 122.322 119.019 3.303 25601 8050 1 59 . 1 1 26 26 VAL H H 26 8.123 8.123 7.951 0.172 25601 8051 1 59 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 8052 1 59 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8053 1 59 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 8054 1 59 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8055 1 59 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 8056 1 59 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8057 1 59 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 8058 1 59 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8059 1 59 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8060 1 59 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8061 1 59 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8062 1 59 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8063 1 59 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8064 1 59 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8065 1 59 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8066 1 59 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8067 1 59 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 8068 1 59 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8069 1 59 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8070 1 59 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 8071 1 59 . 1 1 39 39 ASP N N 39 113.748 113.748 115.515 -1.767 25601 8072 1 59 . 1 1 39 39 ASP H H 39 8.554 8.554 8.771 -0.217 25601 8073 1 59 . 1 1 40 40 GLN N N 40 117.015 117.015 117.266 -0.251 25601 8074 1 59 . 1 1 40 40 GLN H H 40 7.841 7.841 7.866 -0.025 25601 8075 1 59 . 1 1 41 41 GLN N N 41 118.149 118.149 119.843 -1.694 25601 8076 1 59 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 8077 1 59 . 1 1 42 42 ARG N N 42 123.178 123.178 124.044 -0.866 25601 8078 1 59 . 1 1 42 42 ARG H H 42 8.514 8.514 8.633 -0.119 25601 8079 1 59 . 1 1 43 43 LEU N N 43 124.593 124.593 124.736 -0.143 25601 8080 1 59 . 1 1 43 43 LEU H H 43 8.818 8.818 8.729 0.089 25601 8081 1 59 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 8082 1 59 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 8083 1 59 . 1 1 45 45 PHE N N 45 125.152 125.152 124.214 0.938 25601 8084 1 59 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 8085 1 59 . 1 1 46 46 ALA N N 46 112.473 112.473 127.229 -14.756 25601 8086 1 59 . 1 1 46 46 ALA H H 46 8.986 8.986 8.874 0.112 25601 8087 1 59 . 1 1 47 47 GLY N N 47 123.105 123.105 104.211 18.894 25601 8088 1 59 . 1 1 47 47 GLY H H 47 8.094 8.094 8.456 -0.362 25601 8089 1 59 . 1 1 48 48 CYS N N 48 122.066 122.066 119.499 2.567 25601 8090 1 59 . 1 1 48 48 CYS H H 48 8.001 8.001 7.967 0.034 25601 8091 1 59 . 1 1 49 49 GLN N N 49 123.249 123.249 123.443 -0.194 25601 8092 1 59 . 1 1 49 49 GLN H H 49 8.641 8.641 8.579 0.062 25601 8093 1 59 . 1 1 50 50 LEU N N 50 125.854 125.854 123.562 2.292 25601 8094 1 59 . 1 1 50 50 LEU H H 50 8.576 8.576 8.573 0.003 25601 8095 1 59 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 8096 1 59 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 8097 1 59 . 1 1 52 52 ASP N N 52 120.548 120.548 123.399 -2.851 25601 8098 1 59 . 1 1 52 52 ASP H H 52 8.166 8.166 8.741 -0.575 25601 8099 1 59 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 8100 1 59 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8101 1 59 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 8102 1 59 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8103 1 59 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8104 1 59 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8105 1 59 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8106 1 59 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8107 1 59 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8108 1 59 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8109 1 59 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 8110 1 59 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8111 1 59 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8112 1 59 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8113 1 59 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8114 1 59 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8115 1 59 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8116 1 59 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8117 1 59 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8118 1 59 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8119 1 59 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8120 1 59 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8121 1 59 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8122 1 59 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8123 1 59 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8124 1 59 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8125 1 59 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8126 1 59 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8127 1 59 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8128 1 59 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8129 1 59 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 8130 1 59 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8131 1 59 . 1 1 70 70 VAL N N 70 127.016 127.016 121.526 5.490 25601 8132 1 59 . 1 1 70 70 VAL H H 70 9.197 9.197 8.863 0.334 25601 8133 1 59 . 1 1 71 71 LEU N N 71 123.344 123.344 123.857 -0.513 25601 8134 1 59 . 1 1 71 71 LEU H H 71 8.116 8.116 8.388 -0.272 25601 8135 1 59 . 1 1 72 72 ARG N N 72 123.792 123.792 120.993 2.799 25601 8136 1 59 . 1 1 72 72 ARG H H 72 8.624 8.624 8.485 0.139 25601 8137 1 59 . 1 1 73 73 LEU N N 73 124.467 124.467 117.702 6.765 25601 8138 1 59 . 1 1 73 73 LEU H H 73 8.352 8.352 8.458 -0.106 25601 8139 1 59 . 1 1 74 74 ARG N N 74 122.301 122.301 117.909 4.392 25601 8140 1 59 . 1 1 74 74 ARG H H 74 8.487 8.487 7.907 0.580 25601 8141 1 59 . 1 1 75 75 GLY N N 75 111.035 111.035 106.818 4.217 25601 8142 1 59 . 1 1 75 75 GLY H H 75 8.568 8.568 7.988 0.580 25601 8143 1 60 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8144 1 60 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8145 1 60 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8146 1 60 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8147 1 60 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8148 1 60 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8149 1 60 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8150 1 60 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8151 1 60 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8152 1 60 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8153 1 60 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8154 1 60 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8155 1 60 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8156 1 60 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8157 1 60 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8158 1 60 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8159 1 60 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8160 1 60 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8161 1 60 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8162 1 60 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8163 1 60 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8164 1 60 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8165 1 60 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8166 1 60 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8167 1 60 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8168 1 60 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8169 1 60 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8170 1 60 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8171 1 60 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8172 1 60 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8173 1 60 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 8174 1 60 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 8175 1 60 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 8176 1 60 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 8177 1 60 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 8178 1 60 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8179 1 60 . 1 1 21 21 ASP N N 21 124.036 124.036 122.725 1.311 25601 8180 1 60 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 8181 1 60 . 1 1 22 22 THR N N 22 109.090 109.090 113.448 -4.358 25601 8182 1 60 . 1 1 22 22 THR H H 22 7.886 7.886 8.313 -0.427 25601 8183 1 60 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 8184 1 60 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8185 1 60 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 8186 1 60 . 1 1 25 25 CYS H H 25 7.940 7.940 8.002 -0.062 25601 8187 1 60 . 1 1 26 26 VAL N N 26 122.322 122.322 119.102 3.220 25601 8188 1 60 . 1 1 26 26 VAL H H 26 8.123 8.123 7.963 0.160 25601 8189 1 60 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 8190 1 60 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8191 1 60 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 8192 1 60 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8193 1 60 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 8194 1 60 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8195 1 60 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 8196 1 60 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8197 1 60 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8198 1 60 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8199 1 60 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8200 1 60 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8201 1 60 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8202 1 60 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8203 1 60 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8204 1 60 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8205 1 60 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 8206 1 60 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8207 1 60 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8208 1 60 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 8209 1 60 . 1 1 39 39 ASP N N 39 113.748 113.748 116.619 -2.871 25601 8210 1 60 . 1 1 39 39 ASP H H 39 8.554 8.554 8.874 -0.320 25601 8211 1 60 . 1 1 40 40 GLN N N 40 117.015 117.015 117.379 -0.364 25601 8212 1 60 . 1 1 40 40 GLN H H 40 7.841 7.841 7.955 -0.114 25601 8213 1 60 . 1 1 41 41 GLN N N 41 118.149 118.149 119.838 -1.689 25601 8214 1 60 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 8215 1 60 . 1 1 42 42 ARG N N 42 123.178 123.178 124.101 -0.923 25601 8216 1 60 . 1 1 42 42 ARG H H 42 8.514 8.514 8.630 -0.116 25601 8217 1 60 . 1 1 43 43 LEU N N 43 124.593 124.593 124.730 -0.137 25601 8218 1 60 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 8219 1 60 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 8220 1 60 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 8221 1 60 . 1 1 45 45 PHE N N 45 125.152 125.152 124.216 0.936 25601 8222 1 60 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 8223 1 60 . 1 1 46 46 ALA N N 46 112.473 112.473 127.231 -14.758 25601 8224 1 60 . 1 1 46 46 ALA H H 46 8.986 8.986 8.874 0.112 25601 8225 1 60 . 1 1 47 47 GLY N N 47 123.105 123.105 104.231 18.874 25601 8226 1 60 . 1 1 47 47 GLY H H 47 8.094 8.094 8.475 -0.381 25601 8227 1 60 . 1 1 48 48 CYS N N 48 122.066 122.066 119.522 2.544 25601 8228 1 60 . 1 1 48 48 CYS H H 48 8.001 8.001 7.953 0.048 25601 8229 1 60 . 1 1 49 49 GLN N N 49 123.249 123.249 123.597 -0.348 25601 8230 1 60 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 8231 1 60 . 1 1 50 50 LEU N N 50 125.854 125.854 123.579 2.275 25601 8232 1 60 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 8233 1 60 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 8234 1 60 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 8235 1 60 . 1 1 52 52 ASP N N 52 120.548 120.548 125.146 -4.598 25601 8236 1 60 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 8237 1 60 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 8238 1 60 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8239 1 60 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 8240 1 60 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8241 1 60 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8242 1 60 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8243 1 60 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8244 1 60 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8245 1 60 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8246 1 60 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8247 1 60 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 8248 1 60 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8249 1 60 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8250 1 60 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8251 1 60 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8252 1 60 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8253 1 60 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8254 1 60 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8255 1 60 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8256 1 60 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8257 1 60 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8258 1 60 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8259 1 60 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8260 1 60 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8261 1 60 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8262 1 60 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8263 1 60 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8264 1 60 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8265 1 60 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8266 1 60 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8267 1 60 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 8268 1 60 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8269 1 60 . 1 1 70 70 VAL N N 70 127.016 127.016 121.529 5.487 25601 8270 1 60 . 1 1 70 70 VAL H H 70 9.197 9.197 8.862 0.335 25601 8271 1 60 . 1 1 71 71 LEU N N 71 123.344 123.344 123.790 -0.446 25601 8272 1 60 . 1 1 71 71 LEU H H 71 8.116 8.116 8.401 -0.285 25601 8273 1 60 . 1 1 72 72 ARG N N 72 123.792 123.792 120.931 2.861 25601 8274 1 60 . 1 1 72 72 ARG H H 72 8.624 8.624 8.569 0.055 25601 8275 1 60 . 1 1 73 73 LEU N N 73 124.467 124.467 116.308 8.159 25601 8276 1 60 . 1 1 73 73 LEU H H 73 8.352 8.352 8.538 -0.186 25601 8277 1 60 . 1 1 74 74 ARG N N 74 122.301 122.301 118.713 3.588 25601 8278 1 60 . 1 1 74 74 ARG H H 74 8.487 8.487 7.360 1.127 25601 8279 1 60 . 1 1 75 75 GLY N N 75 111.035 111.035 107.727 3.308 25601 8280 1 60 . 1 1 75 75 GLY H H 75 8.568 8.568 8.445 0.123 25601 8281 1 61 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8282 1 61 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8283 1 61 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8284 1 61 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8285 1 61 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8286 1 61 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8287 1 61 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8288 1 61 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8289 1 61 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8290 1 61 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8291 1 61 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8292 1 61 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8293 1 61 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8294 1 61 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8295 1 61 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8296 1 61 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8297 1 61 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8298 1 61 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8299 1 61 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8300 1 61 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8301 1 61 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8302 1 61 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8303 1 61 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8304 1 61 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8305 1 61 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8306 1 61 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8307 1 61 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8308 1 61 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8309 1 61 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8310 1 61 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8311 1 61 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 8312 1 61 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 8313 1 61 . 1 1 18 18 GLU N N 18 119.594 119.594 120.110 -0.516 25601 8314 1 61 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 8315 1 61 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 8316 1 61 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8317 1 61 . 1 1 21 21 ASP N N 21 124.036 124.036 122.831 1.205 25601 8318 1 61 . 1 1 21 21 ASP H H 21 8.070 8.070 7.829 0.241 25601 8319 1 61 . 1 1 22 22 THR N N 22 109.090 109.090 113.038 -3.948 25601 8320 1 61 . 1 1 22 22 THR H H 22 7.886 7.886 8.160 -0.274 25601 8321 1 61 . 1 1 23 23 ILE N N 23 121.455 121.455 121.980 -0.525 25601 8322 1 61 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8323 1 61 . 1 1 25 25 CYS N N 25 121.510 121.510 117.964 3.546 25601 8324 1 61 . 1 1 25 25 CYS H H 25 7.940 7.940 7.975 -0.035 25601 8325 1 61 . 1 1 26 26 VAL N N 26 122.322 122.322 118.997 3.325 25601 8326 1 61 . 1 1 26 26 VAL H H 26 8.123 8.123 7.928 0.195 25601 8327 1 61 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 8328 1 61 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8329 1 61 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 8330 1 61 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8331 1 61 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 8332 1 61 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8333 1 61 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 8334 1 61 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8335 1 61 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8336 1 61 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8337 1 61 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8338 1 61 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8339 1 61 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8340 1 61 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8341 1 61 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8342 1 61 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8343 1 61 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 8344 1 61 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8345 1 61 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8346 1 61 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 8347 1 61 . 1 1 39 39 ASP N N 39 113.748 113.748 116.350 -2.602 25601 8348 1 61 . 1 1 39 39 ASP H H 39 8.554 8.554 8.870 -0.316 25601 8349 1 61 . 1 1 40 40 GLN N N 40 117.015 117.015 117.514 -0.499 25601 8350 1 61 . 1 1 40 40 GLN H H 40 7.841 7.841 7.931 -0.090 25601 8351 1 61 . 1 1 41 41 GLN N N 41 118.149 118.149 119.834 -1.685 25601 8352 1 61 . 1 1 41 41 GLN H H 41 7.494 7.494 7.506 -0.012 25601 8353 1 61 . 1 1 42 42 ARG N N 42 123.178 123.178 124.096 -0.918 25601 8354 1 61 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 8355 1 61 . 1 1 43 43 LEU N N 43 124.593 124.593 124.734 -0.141 25601 8356 1 61 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 8357 1 61 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 8358 1 61 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 8359 1 61 . 1 1 45 45 PHE N N 45 125.152 125.152 124.220 0.932 25601 8360 1 61 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 8361 1 61 . 1 1 46 46 ALA N N 46 112.473 112.473 127.234 -14.761 25601 8362 1 61 . 1 1 46 46 ALA H H 46 8.986 8.986 8.877 0.109 25601 8363 1 61 . 1 1 47 47 GLY N N 47 123.105 123.105 104.341 18.764 25601 8364 1 61 . 1 1 47 47 GLY H H 47 8.094 8.094 8.417 -0.323 25601 8365 1 61 . 1 1 48 48 CYS N N 48 122.066 122.066 119.709 2.357 25601 8366 1 61 . 1 1 48 48 CYS H H 48 8.001 8.001 7.988 0.013 25601 8367 1 61 . 1 1 49 49 GLN N N 49 123.249 123.249 121.839 1.410 25601 8368 1 61 . 1 1 49 49 GLN H H 49 8.641 8.641 8.586 0.055 25601 8369 1 61 . 1 1 50 50 LEU N N 50 125.854 125.854 123.569 2.285 25601 8370 1 61 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 8371 1 61 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 8372 1 61 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 8373 1 61 . 1 1 52 52 ASP N N 52 120.548 120.548 125.148 -4.600 25601 8374 1 61 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 8375 1 61 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 8376 1 61 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8377 1 61 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 8378 1 61 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8379 1 61 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8380 1 61 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8381 1 61 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8382 1 61 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8383 1 61 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8384 1 61 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8385 1 61 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 8386 1 61 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8387 1 61 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8388 1 61 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8389 1 61 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8390 1 61 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8391 1 61 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8392 1 61 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8393 1 61 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8394 1 61 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8395 1 61 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8396 1 61 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8397 1 61 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8398 1 61 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8399 1 61 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8400 1 61 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8401 1 61 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8402 1 61 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8403 1 61 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8404 1 61 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8405 1 61 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 8406 1 61 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8407 1 61 . 1 1 70 70 VAL N N 70 127.016 127.016 121.545 5.471 25601 8408 1 61 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 8409 1 61 . 1 1 71 71 LEU N N 71 123.344 123.344 122.825 0.519 25601 8410 1 61 . 1 1 71 71 LEU H H 71 8.116 8.116 8.323 -0.207 25601 8411 1 61 . 1 1 72 72 ARG N N 72 123.792 123.792 123.135 0.657 25601 8412 1 61 . 1 1 72 72 ARG H H 72 8.624 8.624 8.617 0.007 25601 8413 1 61 . 1 1 73 73 LEU N N 73 124.467 124.467 122.047 2.420 25601 8414 1 61 . 1 1 73 73 LEU H H 73 8.352 8.352 8.325 0.027 25601 8415 1 61 . 1 1 74 74 ARG N N 74 122.301 122.301 123.691 -1.390 25601 8416 1 61 . 1 1 74 74 ARG H H 74 8.487 8.487 8.403 0.084 25601 8417 1 61 . 1 1 75 75 GLY N N 75 111.035 111.035 107.686 3.349 25601 8418 1 61 . 1 1 75 75 GLY H H 75 8.568 8.568 8.219 0.349 25601 8419 1 62 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8420 1 62 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8421 1 62 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8422 1 62 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8423 1 62 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8424 1 62 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8425 1 62 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8426 1 62 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8427 1 62 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8428 1 62 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8429 1 62 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8430 1 62 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8431 1 62 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8432 1 62 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8433 1 62 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8434 1 62 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8435 1 62 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8436 1 62 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8437 1 62 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8438 1 62 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8439 1 62 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8440 1 62 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8441 1 62 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8442 1 62 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8443 1 62 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8444 1 62 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8445 1 62 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8446 1 62 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8447 1 62 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8448 1 62 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8449 1 62 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 8450 1 62 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 8451 1 62 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 8452 1 62 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 8453 1 62 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 8454 1 62 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8455 1 62 . 1 1 21 21 ASP N N 21 124.036 124.036 122.721 1.315 25601 8456 1 62 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 8457 1 62 . 1 1 22 22 THR N N 22 109.090 109.090 113.453 -4.363 25601 8458 1 62 . 1 1 22 22 THR H H 22 7.886 7.886 8.323 -0.437 25601 8459 1 62 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 8460 1 62 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8461 1 62 . 1 1 25 25 CYS N N 25 121.510 121.510 118.059 3.451 25601 8462 1 62 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 8463 1 62 . 1 1 26 26 VAL N N 26 122.322 122.322 119.072 3.250 25601 8464 1 62 . 1 1 26 26 VAL H H 26 8.123 8.123 7.959 0.164 25601 8465 1 62 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 8466 1 62 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8467 1 62 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 8468 1 62 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8469 1 62 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 8470 1 62 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8471 1 62 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 8472 1 62 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8473 1 62 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8474 1 62 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8475 1 62 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8476 1 62 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8477 1 62 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8478 1 62 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8479 1 62 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8480 1 62 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8481 1 62 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 8482 1 62 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8483 1 62 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8484 1 62 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 8485 1 62 . 1 1 39 39 ASP N N 39 113.748 113.748 116.053 -2.305 25601 8486 1 62 . 1 1 39 39 ASP H H 39 8.554 8.554 8.660 -0.106 25601 8487 1 62 . 1 1 40 40 GLN N N 40 117.015 117.015 117.260 -0.245 25601 8488 1 62 . 1 1 40 40 GLN H H 40 7.841 7.841 7.850 -0.009 25601 8489 1 62 . 1 1 41 41 GLN N N 41 118.149 118.149 119.869 -1.720 25601 8490 1 62 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 8491 1 62 . 1 1 42 42 ARG N N 42 123.178 123.178 124.046 -0.868 25601 8492 1 62 . 1 1 42 42 ARG H H 42 8.514 8.514 8.633 -0.119 25601 8493 1 62 . 1 1 43 43 LEU N N 43 124.593 124.593 124.735 -0.142 25601 8494 1 62 . 1 1 43 43 LEU H H 43 8.818 8.818 8.729 0.089 25601 8495 1 62 . 1 1 44 44 ILE N N 44 122.637 122.637 121.399 1.238 25601 8496 1 62 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 8497 1 62 . 1 1 45 45 PHE N N 45 125.152 125.152 124.218 0.934 25601 8498 1 62 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 8499 1 62 . 1 1 46 46 ALA N N 46 112.473 112.473 127.233 -14.760 25601 8500 1 62 . 1 1 46 46 ALA H H 46 8.986 8.986 8.877 0.109 25601 8501 1 62 . 1 1 47 47 GLY N N 47 123.105 123.105 104.236 18.869 25601 8502 1 62 . 1 1 47 47 GLY H H 47 8.094 8.094 8.461 -0.367 25601 8503 1 62 . 1 1 48 48 CYS N N 48 122.066 122.066 119.502 2.564 25601 8504 1 62 . 1 1 48 48 CYS H H 48 8.001 8.001 7.965 0.036 25601 8505 1 62 . 1 1 49 49 GLN N N 49 123.249 123.249 123.480 -0.231 25601 8506 1 62 . 1 1 49 49 GLN H H 49 8.641 8.641 8.578 0.063 25601 8507 1 62 . 1 1 50 50 LEU N N 50 125.854 125.854 123.550 2.304 25601 8508 1 62 . 1 1 50 50 LEU H H 50 8.576 8.576 8.573 0.003 25601 8509 1 62 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 8510 1 62 . 1 1 51 51 GLU H H 51 8.391 8.391 8.329 0.062 25601 8511 1 62 . 1 1 52 52 ASP N N 52 120.548 120.548 125.150 -4.602 25601 8512 1 62 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 8513 1 62 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 8514 1 62 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8515 1 62 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 8516 1 62 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8517 1 62 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8518 1 62 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8519 1 62 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8520 1 62 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8521 1 62 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8522 1 62 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8523 1 62 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 8524 1 62 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8525 1 62 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8526 1 62 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8527 1 62 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8528 1 62 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8529 1 62 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8530 1 62 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8531 1 62 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8532 1 62 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8533 1 62 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8534 1 62 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8535 1 62 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8536 1 62 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8537 1 62 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8538 1 62 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8539 1 62 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8540 1 62 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8541 1 62 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8542 1 62 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8543 1 62 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 8544 1 62 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8545 1 62 . 1 1 70 70 VAL N N 70 127.016 127.016 121.525 5.491 25601 8546 1 62 . 1 1 70 70 VAL H H 70 9.197 9.197 8.861 0.336 25601 8547 1 62 . 1 1 71 71 LEU N N 71 123.344 123.344 123.915 -0.571 25601 8548 1 62 . 1 1 71 71 LEU H H 71 8.116 8.116 8.341 -0.225 25601 8549 1 62 . 1 1 72 72 ARG N N 72 123.792 123.792 120.527 3.265 25601 8550 1 62 . 1 1 72 72 ARG H H 72 8.624 8.624 8.679 -0.055 25601 8551 1 62 . 1 1 73 73 LEU N N 73 124.467 124.467 117.311 7.156 25601 8552 1 62 . 1 1 73 73 LEU H H 73 8.352 8.352 8.537 -0.185 25601 8553 1 62 . 1 1 74 74 ARG N N 74 122.301 122.301 118.723 3.578 25601 8554 1 62 . 1 1 74 74 ARG H H 74 8.487 8.487 8.046 0.441 25601 8555 1 62 . 1 1 75 75 GLY N N 75 111.035 111.035 108.191 2.844 25601 8556 1 62 . 1 1 75 75 GLY H H 75 8.568 8.568 8.181 0.387 25601 8557 1 63 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8558 1 63 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8559 1 63 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8560 1 63 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8561 1 63 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8562 1 63 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8563 1 63 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8564 1 63 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8565 1 63 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8566 1 63 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8567 1 63 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8568 1 63 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8569 1 63 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8570 1 63 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8571 1 63 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8572 1 63 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8573 1 63 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8574 1 63 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8575 1 63 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8576 1 63 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8577 1 63 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8578 1 63 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8579 1 63 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8580 1 63 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8581 1 63 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8582 1 63 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8583 1 63 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8584 1 63 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8585 1 63 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8586 1 63 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8587 1 63 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 8588 1 63 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 8589 1 63 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 8590 1 63 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 8591 1 63 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 8592 1 63 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8593 1 63 . 1 1 21 21 ASP N N 21 124.036 124.036 123.530 0.506 25601 8594 1 63 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 8595 1 63 . 1 1 22 22 THR N N 22 109.090 109.090 112.418 -3.328 25601 8596 1 63 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 8597 1 63 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 8598 1 63 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8599 1 63 . 1 1 25 25 CYS N N 25 121.510 121.510 118.057 3.453 25601 8600 1 63 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 8601 1 63 . 1 1 26 26 VAL N N 26 122.322 122.322 119.050 3.272 25601 8602 1 63 . 1 1 26 26 VAL H H 26 8.123 8.123 7.956 0.167 25601 8603 1 63 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 8604 1 63 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8605 1 63 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 8606 1 63 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8607 1 63 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 8608 1 63 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8609 1 63 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 8610 1 63 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8611 1 63 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8612 1 63 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8613 1 63 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8614 1 63 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8615 1 63 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8616 1 63 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8617 1 63 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8618 1 63 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8619 1 63 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 8620 1 63 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8621 1 63 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8622 1 63 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 8623 1 63 . 1 1 39 39 ASP N N 39 113.748 113.748 116.198 -2.450 25601 8624 1 63 . 1 1 39 39 ASP H H 39 8.554 8.554 8.635 -0.081 25601 8625 1 63 . 1 1 40 40 GLN N N 40 117.015 117.015 117.579 -0.564 25601 8626 1 63 . 1 1 40 40 GLN H H 40 7.841 7.841 7.844 -0.003 25601 8627 1 63 . 1 1 41 41 GLN N N 41 118.149 118.149 119.865 -1.716 25601 8628 1 63 . 1 1 41 41 GLN H H 41 7.494 7.494 7.509 -0.015 25601 8629 1 63 . 1 1 42 42 ARG N N 42 123.178 123.178 124.127 -0.949 25601 8630 1 63 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 8631 1 63 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 8632 1 63 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 8633 1 63 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 8634 1 63 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 8635 1 63 . 1 1 45 45 PHE N N 45 125.152 125.152 124.217 0.935 25601 8636 1 63 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 8637 1 63 . 1 1 46 46 ALA N N 46 112.473 112.473 127.232 -14.759 25601 8638 1 63 . 1 1 46 46 ALA H H 46 8.986 8.986 8.875 0.111 25601 8639 1 63 . 1 1 47 47 GLY N N 47 123.105 123.105 104.215 18.890 25601 8640 1 63 . 1 1 47 47 GLY H H 47 8.094 8.094 8.451 -0.357 25601 8641 1 63 . 1 1 48 48 CYS N N 48 122.066 122.066 119.495 2.571 25601 8642 1 63 . 1 1 48 48 CYS H H 48 8.001 8.001 7.971 0.030 25601 8643 1 63 . 1 1 49 49 GLN N N 49 123.249 123.249 123.364 -0.115 25601 8644 1 63 . 1 1 49 49 GLN H H 49 8.641 8.641 8.579 0.062 25601 8645 1 63 . 1 1 50 50 LEU N N 50 125.854 125.854 123.573 2.281 25601 8646 1 63 . 1 1 50 50 LEU H H 50 8.576 8.576 8.572 0.004 25601 8647 1 63 . 1 1 51 51 GLU N N 51 123.307 123.307 121.200 2.107 25601 8648 1 63 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 8649 1 63 . 1 1 52 52 ASP N N 52 120.548 120.548 125.148 -4.600 25601 8650 1 63 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 8651 1 63 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 8652 1 63 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8653 1 63 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 8654 1 63 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8655 1 63 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8656 1 63 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8657 1 63 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8658 1 63 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8659 1 63 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8660 1 63 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8661 1 63 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 8662 1 63 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8663 1 63 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8664 1 63 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8665 1 63 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8666 1 63 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8667 1 63 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8668 1 63 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8669 1 63 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8670 1 63 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8671 1 63 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8672 1 63 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8673 1 63 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8674 1 63 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8675 1 63 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8676 1 63 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8677 1 63 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8678 1 63 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8679 1 63 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8680 1 63 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8681 1 63 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 8682 1 63 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8683 1 63 . 1 1 70 70 VAL N N 70 127.016 127.016 121.541 5.475 25601 8684 1 63 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 8685 1 63 . 1 1 71 71 LEU N N 71 123.344 123.344 123.154 0.190 25601 8686 1 63 . 1 1 71 71 LEU H H 71 8.116 8.116 8.413 -0.297 25601 8687 1 63 . 1 1 72 72 ARG N N 72 123.792 123.792 122.471 1.321 25601 8688 1 63 . 1 1 72 72 ARG H H 72 8.624 8.624 8.849 -0.225 25601 8689 1 63 . 1 1 73 73 LEU N N 73 124.467 124.467 122.780 1.687 25601 8690 1 63 . 1 1 73 73 LEU H H 73 8.352 8.352 8.665 -0.313 25601 8691 1 63 . 1 1 74 74 ARG N N 74 122.301 122.301 123.522 -1.221 25601 8692 1 63 . 1 1 74 74 ARG H H 74 8.487 8.487 8.673 -0.186 25601 8693 1 63 . 1 1 75 75 GLY N N 75 111.035 111.035 106.834 4.201 25601 8694 1 63 . 1 1 75 75 GLY H H 75 8.568 8.568 7.827 0.741 25601 8695 1 64 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8696 1 64 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8697 1 64 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8698 1 64 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8699 1 64 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8700 1 64 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8701 1 64 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8702 1 64 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8703 1 64 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8704 1 64 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8705 1 64 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8706 1 64 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8707 1 64 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8708 1 64 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8709 1 64 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8710 1 64 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8711 1 64 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8712 1 64 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8713 1 64 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8714 1 64 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8715 1 64 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8716 1 64 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8717 1 64 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8718 1 64 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8719 1 64 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8720 1 64 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8721 1 64 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8722 1 64 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8723 1 64 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8724 1 64 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8725 1 64 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 8726 1 64 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 8727 1 64 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 8728 1 64 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 8729 1 64 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 8730 1 64 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8731 1 64 . 1 1 21 21 ASP N N 21 124.036 124.036 122.753 1.283 25601 8732 1 64 . 1 1 21 21 ASP H H 21 8.070 8.070 7.837 0.233 25601 8733 1 64 . 1 1 22 22 THR N N 22 109.090 109.090 113.402 -4.312 25601 8734 1 64 . 1 1 22 22 THR H H 22 7.886 7.886 8.323 -0.437 25601 8735 1 64 . 1 1 23 23 ILE N N 23 121.455 121.455 121.982 -0.527 25601 8736 1 64 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8737 1 64 . 1 1 25 25 CYS N N 25 121.510 121.510 117.956 3.554 25601 8738 1 64 . 1 1 25 25 CYS H H 25 7.940 7.940 7.982 -0.042 25601 8739 1 64 . 1 1 26 26 VAL N N 26 122.322 122.322 119.356 2.966 25601 8740 1 64 . 1 1 26 26 VAL H H 26 8.123 8.123 7.984 0.139 25601 8741 1 64 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 8742 1 64 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8743 1 64 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 8744 1 64 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8745 1 64 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 8746 1 64 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8747 1 64 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 8748 1 64 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8749 1 64 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8750 1 64 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8751 1 64 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8752 1 64 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8753 1 64 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8754 1 64 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8755 1 64 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8756 1 64 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8757 1 64 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 8758 1 64 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8759 1 64 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8760 1 64 . 1 1 36 36 ILE H H 36 6.186 6.186 7.800 -1.614 25601 8761 1 64 . 1 1 39 39 ASP N N 39 113.748 113.748 116.409 -2.661 25601 8762 1 64 . 1 1 39 39 ASP H H 39 8.554 8.554 8.805 -0.251 25601 8763 1 64 . 1 1 40 40 GLN N N 40 117.015 117.015 117.342 -0.327 25601 8764 1 64 . 1 1 40 40 GLN H H 40 7.841 7.841 7.891 -0.050 25601 8765 1 64 . 1 1 41 41 GLN N N 41 118.149 118.149 119.859 -1.710 25601 8766 1 64 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 8767 1 64 . 1 1 42 42 ARG N N 42 123.178 123.178 124.143 -0.965 25601 8768 1 64 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 8769 1 64 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 8770 1 64 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 8771 1 64 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 8772 1 64 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 8773 1 64 . 1 1 45 45 PHE N N 45 125.152 125.152 124.220 0.932 25601 8774 1 64 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 8775 1 64 . 1 1 46 46 ALA N N 46 112.473 112.473 127.234 -14.761 25601 8776 1 64 . 1 1 46 46 ALA H H 46 8.986 8.986 8.876 0.110 25601 8777 1 64 . 1 1 47 47 GLY N N 47 123.105 123.105 104.233 18.872 25601 8778 1 64 . 1 1 47 47 GLY H H 47 8.094 8.094 8.463 -0.369 25601 8779 1 64 . 1 1 48 48 CYS N N 48 122.066 122.066 119.506 2.560 25601 8780 1 64 . 1 1 48 48 CYS H H 48 8.001 8.001 7.963 0.038 25601 8781 1 64 . 1 1 49 49 GLN N N 49 123.249 123.249 123.515 -0.266 25601 8782 1 64 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 8783 1 64 . 1 1 50 50 LEU N N 50 125.854 125.854 123.581 2.273 25601 8784 1 64 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 8785 1 64 . 1 1 51 51 GLU N N 51 123.307 123.307 121.199 2.108 25601 8786 1 64 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 8787 1 64 . 1 1 52 52 ASP N N 52 120.548 120.548 125.146 -4.598 25601 8788 1 64 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 8789 1 64 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 8790 1 64 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8791 1 64 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 8792 1 64 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8793 1 64 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8794 1 64 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8795 1 64 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8796 1 64 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8797 1 64 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8798 1 64 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8799 1 64 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 8800 1 64 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8801 1 64 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8802 1 64 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8803 1 64 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8804 1 64 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8805 1 64 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8806 1 64 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8807 1 64 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8808 1 64 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8809 1 64 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8810 1 64 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8811 1 64 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8812 1 64 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8813 1 64 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8814 1 64 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8815 1 64 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8816 1 64 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8817 1 64 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8818 1 64 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8819 1 64 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 8820 1 64 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8821 1 64 . 1 1 70 70 VAL N N 70 127.016 127.016 121.538 5.478 25601 8822 1 64 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 8823 1 64 . 1 1 71 71 LEU N N 71 123.344 123.344 121.926 1.418 25601 8824 1 64 . 1 1 71 71 LEU H H 71 8.116 8.116 8.311 -0.195 25601 8825 1 64 . 1 1 72 72 ARG N N 72 123.792 123.792 122.381 1.411 25601 8826 1 64 . 1 1 72 72 ARG H H 72 8.624 8.624 8.797 -0.173 25601 8827 1 64 . 1 1 73 73 LEU N N 73 124.467 124.467 114.863 9.604 25601 8828 1 64 . 1 1 73 73 LEU H H 73 8.352 8.352 8.159 0.193 25601 8829 1 64 . 1 1 74 74 ARG N N 74 122.301 122.301 118.757 3.544 25601 8830 1 64 . 1 1 74 74 ARG H H 74 8.487 8.487 8.117 0.370 25601 8831 1 64 . 1 1 75 75 GLY N N 75 111.035 111.035 106.821 4.214 25601 8832 1 64 . 1 1 75 75 GLY H H 75 8.568 8.568 8.137 0.431 25601 8833 1 65 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8834 1 65 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8835 1 65 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8836 1 65 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8837 1 65 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8838 1 65 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8839 1 65 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8840 1 65 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8841 1 65 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8842 1 65 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8843 1 65 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8844 1 65 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8845 1 65 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8846 1 65 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8847 1 65 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8848 1 65 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8849 1 65 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8850 1 65 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8851 1 65 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8852 1 65 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8853 1 65 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8854 1 65 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8855 1 65 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8856 1 65 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8857 1 65 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8858 1 65 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8859 1 65 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8860 1 65 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8861 1 65 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 8862 1 65 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 8863 1 65 . 1 1 17 17 VAL N N 17 117.729 117.729 120.562 -2.833 25601 8864 1 65 . 1 1 17 17 VAL H H 17 8.944 8.944 8.823 0.121 25601 8865 1 65 . 1 1 18 18 GLU N N 18 119.594 119.594 120.392 -0.798 25601 8866 1 65 . 1 1 18 18 GLU H H 18 8.700 8.700 8.245 0.455 25601 8867 1 65 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 8868 1 65 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 8869 1 65 . 1 1 21 21 ASP N N 21 124.036 124.036 123.527 0.509 25601 8870 1 65 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 8871 1 65 . 1 1 22 22 THR N N 22 109.090 109.090 112.425 -3.335 25601 8872 1 65 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 8873 1 65 . 1 1 23 23 ILE N N 23 121.455 121.455 121.978 -0.523 25601 8874 1 65 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 8875 1 65 . 1 1 25 25 CYS N N 25 121.510 121.510 118.058 3.452 25601 8876 1 65 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 8877 1 65 . 1 1 26 26 VAL N N 26 122.322 122.322 119.058 3.264 25601 8878 1 65 . 1 1 26 26 VAL H H 26 8.123 8.123 7.957 0.166 25601 8879 1 65 . 1 1 27 27 LYS N N 27 119.098 119.098 117.797 1.301 25601 8880 1 65 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 8881 1 65 . 1 1 28 28 ALA N N 28 123.566 123.566 121.657 1.909 25601 8882 1 65 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 8883 1 65 . 1 1 29 29 LYS N N 29 120.388 120.388 118.643 1.745 25601 8884 1 65 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 8885 1 65 . 1 1 30 30 ILE N N 30 121.472 121.472 119.100 2.372 25601 8886 1 65 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 8887 1 65 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 8888 1 65 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 8889 1 65 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 8890 1 65 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 8891 1 65 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 8892 1 65 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 8893 1 65 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 8894 1 65 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 8895 1 65 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 8896 1 65 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 8897 1 65 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 8898 1 65 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 8899 1 65 . 1 1 39 39 ASP N N 39 113.748 113.748 116.232 -2.484 25601 8900 1 65 . 1 1 39 39 ASP H H 39 8.554 8.554 8.760 -0.206 25601 8901 1 65 . 1 1 40 40 GLN N N 40 117.015 117.015 117.272 -0.257 25601 8902 1 65 . 1 1 40 40 GLN H H 40 7.841 7.841 7.861 -0.020 25601 8903 1 65 . 1 1 41 41 GLN N N 41 118.149 118.149 119.813 -1.664 25601 8904 1 65 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 8905 1 65 . 1 1 42 42 ARG N N 42 123.178 123.178 124.151 -0.973 25601 8906 1 65 . 1 1 42 42 ARG H H 42 8.514 8.514 8.628 -0.114 25601 8907 1 65 . 1 1 43 43 LEU N N 43 124.593 124.593 124.721 -0.128 25601 8908 1 65 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 8909 1 65 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 8910 1 65 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 8911 1 65 . 1 1 45 45 PHE N N 45 125.152 125.152 124.202 0.950 25601 8912 1 65 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 8913 1 65 . 1 1 46 46 ALA N N 46 112.473 112.473 127.215 -14.742 25601 8914 1 65 . 1 1 46 46 ALA H H 46 8.986 8.986 8.864 0.122 25601 8915 1 65 . 1 1 47 47 GLY N N 47 123.105 123.105 104.361 18.744 25601 8916 1 65 . 1 1 47 47 GLY H H 47 8.094 8.094 8.426 -0.332 25601 8917 1 65 . 1 1 48 48 CYS N N 48 122.066 122.066 119.686 2.380 25601 8918 1 65 . 1 1 48 48 CYS H H 48 8.001 8.001 7.966 0.035 25601 8919 1 65 . 1 1 49 49 GLN N N 49 123.249 123.249 121.451 1.798 25601 8920 1 65 . 1 1 49 49 GLN H H 49 8.641 8.641 8.595 0.046 25601 8921 1 65 . 1 1 50 50 LEU N N 50 125.854 125.854 123.647 2.207 25601 8922 1 65 . 1 1 50 50 LEU H H 50 8.576 8.576 8.567 0.009 25601 8923 1 65 . 1 1 51 51 GLU N N 51 123.307 123.307 121.191 2.116 25601 8924 1 65 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 8925 1 65 . 1 1 52 52 ASP N N 52 120.548 120.548 125.140 -4.592 25601 8926 1 65 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 8927 1 65 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 8928 1 65 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 8929 1 65 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 8930 1 65 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 8931 1 65 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 8932 1 65 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 8933 1 65 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 8934 1 65 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 8935 1 65 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 8936 1 65 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 8937 1 65 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 8938 1 65 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 8939 1 65 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 8940 1 65 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 8941 1 65 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 8942 1 65 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 8943 1 65 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 8944 1 65 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 8945 1 65 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 8946 1 65 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 8947 1 65 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 8948 1 65 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 8949 1 65 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 8950 1 65 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 8951 1 65 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 8952 1 65 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 8953 1 65 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 8954 1 65 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 8955 1 65 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 8956 1 65 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 8957 1 65 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 8958 1 65 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 8959 1 65 . 1 1 70 70 VAL N N 70 127.016 127.016 121.533 5.483 25601 8960 1 65 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 8961 1 65 . 1 1 71 71 LEU N N 71 123.344 123.344 123.158 0.186 25601 8962 1 65 . 1 1 71 71 LEU H H 71 8.116 8.116 8.412 -0.296 25601 8963 1 65 . 1 1 72 72 ARG N N 72 123.792 123.792 121.974 1.818 25601 8964 1 65 . 1 1 72 72 ARG H H 72 8.624 8.624 8.675 -0.051 25601 8965 1 65 . 1 1 73 73 LEU N N 73 124.467 124.467 117.333 7.134 25601 8966 1 65 . 1 1 73 73 LEU H H 73 8.352 8.352 8.473 -0.121 25601 8967 1 65 . 1 1 74 74 ARG N N 74 122.301 122.301 118.988 3.313 25601 8968 1 65 . 1 1 74 74 ARG H H 74 8.487 8.487 8.242 0.245 25601 8969 1 65 . 1 1 75 75 GLY N N 75 111.035 111.035 110.112 0.923 25601 8970 1 65 . 1 1 75 75 GLY H H 75 8.568 8.568 8.573 -0.005 25601 8971 1 66 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 8972 1 66 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 8973 1 66 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 8974 1 66 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 8975 1 66 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 8976 1 66 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 8977 1 66 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8978 1 66 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 8979 1 66 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 8980 1 66 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 8981 1 66 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 8982 1 66 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 8983 1 66 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 8984 1 66 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 8985 1 66 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 8986 1 66 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 8987 1 66 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 8988 1 66 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 8989 1 66 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 8990 1 66 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 8991 1 66 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 8992 1 66 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 8993 1 66 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 8994 1 66 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 8995 1 66 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 8996 1 66 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 8997 1 66 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 8998 1 66 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 8999 1 66 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 9000 1 66 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 9001 1 66 . 1 1 17 17 VAL N N 17 117.729 117.729 120.498 -2.769 25601 9002 1 66 . 1 1 17 17 VAL H H 17 8.944 8.944 8.815 0.129 25601 9003 1 66 . 1 1 18 18 GLU N N 18 119.594 119.594 120.542 -0.948 25601 9004 1 66 . 1 1 18 18 GLU H H 18 8.700 8.700 8.215 0.485 25601 9005 1 66 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 9006 1 66 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 9007 1 66 . 1 1 21 21 ASP N N 21 124.036 124.036 123.529 0.507 25601 9008 1 66 . 1 1 21 21 ASP H H 21 8.070 8.070 7.914 0.156 25601 9009 1 66 . 1 1 22 22 THR N N 22 109.090 109.090 112.419 -3.329 25601 9010 1 66 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 9011 1 66 . 1 1 23 23 ILE N N 23 121.455 121.455 121.979 -0.524 25601 9012 1 66 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 9013 1 66 . 1 1 25 25 CYS N N 25 121.510 121.510 118.030 3.480 25601 9014 1 66 . 1 1 25 25 CYS H H 25 7.940 7.940 8.001 -0.061 25601 9015 1 66 . 1 1 26 26 VAL N N 26 122.322 122.322 118.991 3.331 25601 9016 1 66 . 1 1 26 26 VAL H H 26 8.123 8.123 7.945 0.178 25601 9017 1 66 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 9018 1 66 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 9019 1 66 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 9020 1 66 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 9021 1 66 . 1 1 29 29 LYS N N 29 120.388 120.388 118.643 1.745 25601 9022 1 66 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 9023 1 66 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 9024 1 66 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 9025 1 66 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 9026 1 66 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 9027 1 66 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 9028 1 66 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 9029 1 66 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 9030 1 66 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 9031 1 66 . 1 1 34 34 GLU N N 34 114.495 114.495 118.857 -4.362 25601 9032 1 66 . 1 1 34 34 GLU H H 34 8.740 8.740 8.181 0.559 25601 9033 1 66 . 1 1 35 35 GLY N N 35 108.947 108.947 107.963 0.984 25601 9034 1 66 . 1 1 35 35 GLY H H 35 8.502 8.502 7.890 0.612 25601 9035 1 66 . 1 1 36 36 ILE N N 36 120.438 120.438 120.442 -0.004 25601 9036 1 66 . 1 1 36 36 ILE H H 36 6.186 6.186 7.671 -1.485 25601 9037 1 66 . 1 1 39 39 ASP N N 39 113.748 113.748 116.897 -3.149 25601 9038 1 66 . 1 1 39 39 ASP H H 39 8.554 8.554 8.478 0.076 25601 9039 1 66 . 1 1 40 40 GLN N N 40 117.015 117.015 117.210 -0.195 25601 9040 1 66 . 1 1 40 40 GLN H H 40 7.841 7.841 7.825 0.016 25601 9041 1 66 . 1 1 41 41 GLN N N 41 118.149 118.149 119.847 -1.698 25601 9042 1 66 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 9043 1 66 . 1 1 42 42 ARG N N 42 123.178 123.178 124.116 -0.938 25601 9044 1 66 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 9045 1 66 . 1 1 43 43 LEU N N 43 124.593 124.593 124.727 -0.134 25601 9046 1 66 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 9047 1 66 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 9048 1 66 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 9049 1 66 . 1 1 45 45 PHE N N 45 125.152 125.152 124.205 0.947 25601 9050 1 66 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 9051 1 66 . 1 1 46 46 ALA N N 46 112.473 112.473 127.219 -14.746 25601 9052 1 66 . 1 1 46 46 ALA H H 46 8.986 8.986 8.867 0.119 25601 9053 1 66 . 1 1 47 47 GLY N N 47 123.105 123.105 104.158 18.947 25601 9054 1 66 . 1 1 47 47 GLY H H 47 8.094 8.094 8.454 -0.360 25601 9055 1 66 . 1 1 48 48 CYS N N 48 122.066 122.066 119.502 2.564 25601 9056 1 66 . 1 1 48 48 CYS H H 48 8.001 8.001 7.965 0.036 25601 9057 1 66 . 1 1 49 49 GLN N N 49 123.249 123.249 123.461 -0.212 25601 9058 1 66 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 9059 1 66 . 1 1 50 50 LEU N N 50 125.854 125.854 123.601 2.253 25601 9060 1 66 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 9061 1 66 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 9062 1 66 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 9063 1 66 . 1 1 52 52 ASP N N 52 120.548 120.548 125.145 -4.597 25601 9064 1 66 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 9065 1 66 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 9066 1 66 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 9067 1 66 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 9068 1 66 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 9069 1 66 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 9070 1 66 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 9071 1 66 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 9072 1 66 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 9073 1 66 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 9074 1 66 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 9075 1 66 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 9076 1 66 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 9077 1 66 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 9078 1 66 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 9079 1 66 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 9080 1 66 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 9081 1 66 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 9082 1 66 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 9083 1 66 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 9084 1 66 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 9085 1 66 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 9086 1 66 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 9087 1 66 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 9088 1 66 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 9089 1 66 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 9090 1 66 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 9091 1 66 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 9092 1 66 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 9093 1 66 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 9094 1 66 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 9095 1 66 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 9096 1 66 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 9097 1 66 . 1 1 70 70 VAL N N 70 127.016 127.016 121.530 5.486 25601 9098 1 66 . 1 1 70 70 VAL H H 70 9.197 9.197 8.859 0.338 25601 9099 1 66 . 1 1 71 71 LEU N N 71 123.344 123.344 123.358 -0.014 25601 9100 1 66 . 1 1 71 71 LEU H H 71 8.116 8.116 8.344 -0.228 25601 9101 1 66 . 1 1 72 72 ARG N N 72 123.792 123.792 119.860 3.932 25601 9102 1 66 . 1 1 72 72 ARG H H 72 8.624 8.624 8.637 -0.013 25601 9103 1 66 . 1 1 73 73 LEU N N 73 124.467 124.467 118.908 5.559 25601 9104 1 66 . 1 1 73 73 LEU H H 73 8.352 8.352 8.355 -0.003 25601 9105 1 66 . 1 1 74 74 ARG N N 74 122.301 122.301 119.434 2.867 25601 9106 1 66 . 1 1 74 74 ARG H H 74 8.487 8.487 8.376 0.111 25601 9107 1 66 . 1 1 75 75 GLY N N 75 111.035 111.035 104.812 6.223 25601 9108 1 66 . 1 1 75 75 GLY H H 75 8.568 8.568 8.652 -0.084 25601 9109 1 67 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 9110 1 67 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 9111 1 67 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 9112 1 67 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 9113 1 67 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 9114 1 67 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 9115 1 67 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 9116 1 67 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 9117 1 67 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 9118 1 67 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 9119 1 67 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 9120 1 67 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 9121 1 67 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 9122 1 67 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 9123 1 67 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 9124 1 67 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 9125 1 67 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 9126 1 67 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 9127 1 67 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 9128 1 67 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 9129 1 67 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 9130 1 67 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 9131 1 67 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 9132 1 67 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 9133 1 67 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 9134 1 67 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 9135 1 67 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 9136 1 67 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 9137 1 67 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 9138 1 67 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 9139 1 67 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 9140 1 67 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 9141 1 67 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 9142 1 67 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 9143 1 67 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 9144 1 67 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 9145 1 67 . 1 1 21 21 ASP N N 21 124.036 124.036 123.531 0.505 25601 9146 1 67 . 1 1 21 21 ASP H H 21 8.070 8.070 7.915 0.155 25601 9147 1 67 . 1 1 22 22 THR N N 22 109.090 109.090 112.412 -3.322 25601 9148 1 67 . 1 1 22 22 THR H H 22 7.886 7.886 8.066 -0.180 25601 9149 1 67 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 9150 1 67 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 9151 1 67 . 1 1 25 25 CYS N N 25 121.510 121.510 118.060 3.450 25601 9152 1 67 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 9153 1 67 . 1 1 26 26 VAL N N 26 122.322 122.322 119.076 3.246 25601 9154 1 67 . 1 1 26 26 VAL H H 26 8.123 8.123 7.959 0.164 25601 9155 1 67 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 9156 1 67 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 9157 1 67 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 9158 1 67 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 9159 1 67 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 9160 1 67 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 9161 1 67 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 9162 1 67 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 9163 1 67 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 9164 1 67 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 9165 1 67 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 9166 1 67 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 9167 1 67 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 9168 1 67 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 9169 1 67 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 9170 1 67 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 9171 1 67 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 9172 1 67 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 9173 1 67 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 9174 1 67 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 9175 1 67 . 1 1 39 39 ASP N N 39 113.748 113.748 116.143 -2.395 25601 9176 1 67 . 1 1 39 39 ASP H H 39 8.554 8.554 8.691 -0.137 25601 9177 1 67 . 1 1 40 40 GLN N N 40 117.015 117.015 117.360 -0.345 25601 9178 1 67 . 1 1 40 40 GLN H H 40 7.841 7.841 7.834 0.007 25601 9179 1 67 . 1 1 41 41 GLN N N 41 118.149 118.149 119.880 -1.731 25601 9180 1 67 . 1 1 41 41 GLN H H 41 7.494 7.494 7.510 -0.016 25601 9181 1 67 . 1 1 42 42 ARG N N 42 123.178 123.178 124.115 -0.937 25601 9182 1 67 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 9183 1 67 . 1 1 43 43 LEU N N 43 124.593 124.593 124.728 -0.135 25601 9184 1 67 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 9185 1 67 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 9186 1 67 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 9187 1 67 . 1 1 45 45 PHE N N 45 125.152 125.152 124.215 0.937 25601 9188 1 67 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 9189 1 67 . 1 1 46 46 ALA N N 46 112.473 112.473 127.229 -14.756 25601 9190 1 67 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 9191 1 67 . 1 1 47 47 GLY N N 47 123.105 123.105 104.302 18.803 25601 9192 1 67 . 1 1 47 47 GLY H H 47 8.094 8.094 8.414 -0.320 25601 9193 1 67 . 1 1 48 48 CYS N N 48 122.066 122.066 119.710 2.356 25601 9194 1 67 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 9195 1 67 . 1 1 49 49 GLN N N 49 123.249 123.249 121.837 1.412 25601 9196 1 67 . 1 1 49 49 GLN H H 49 8.641 8.641 8.589 0.052 25601 9197 1 67 . 1 1 50 50 LEU N N 50 125.854 125.854 123.630 2.224 25601 9198 1 67 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 9199 1 67 . 1 1 51 51 GLU N N 51 123.307 123.307 121.193 2.114 25601 9200 1 67 . 1 1 51 51 GLU H H 51 8.391 8.391 8.331 0.060 25601 9201 1 67 . 1 1 52 52 ASP N N 52 120.548 120.548 125.141 -4.593 25601 9202 1 67 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 9203 1 67 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 9204 1 67 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 9205 1 67 . 1 1 55 55 THR N N 55 109.015 109.015 111.883 -2.868 25601 9206 1 67 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 9207 1 67 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 9208 1 67 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 9209 1 67 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 9210 1 67 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 9211 1 67 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 9212 1 67 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 9213 1 67 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 9214 1 67 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 9215 1 67 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 9216 1 67 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 9217 1 67 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 9218 1 67 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 9219 1 67 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 9220 1 67 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 9221 1 67 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 9222 1 67 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 9223 1 67 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 9224 1 67 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 9225 1 67 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 9226 1 67 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 9227 1 67 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 9228 1 67 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 9229 1 67 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 9230 1 67 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 9231 1 67 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 9232 1 67 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 9233 1 67 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 9234 1 67 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 9235 1 67 . 1 1 70 70 VAL N N 70 127.016 127.016 121.535 5.481 25601 9236 1 67 . 1 1 70 70 VAL H H 70 9.197 9.197 8.857 0.340 25601 9237 1 67 . 1 1 71 71 LEU N N 71 123.344 123.344 123.412 -0.068 25601 9238 1 67 . 1 1 71 71 LEU H H 71 8.116 8.116 8.406 -0.290 25601 9239 1 67 . 1 1 72 72 ARG N N 72 123.792 123.792 121.081 2.711 25601 9240 1 67 . 1 1 72 72 ARG H H 72 8.624 8.624 8.884 -0.260 25601 9241 1 67 . 1 1 73 73 LEU N N 73 124.467 124.467 117.098 7.369 25601 9242 1 67 . 1 1 73 73 LEU H H 73 8.352 8.352 8.354 -0.002 25601 9243 1 67 . 1 1 74 74 ARG N N 74 122.301 122.301 117.655 4.646 25601 9244 1 67 . 1 1 74 74 ARG H H 74 8.487 8.487 8.750 -0.263 25601 9245 1 67 . 1 1 75 75 GLY N N 75 111.035 111.035 107.195 3.840 25601 9246 1 67 . 1 1 75 75 GLY H H 75 8.568 8.568 8.825 -0.257 25601 9247 1 68 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 9248 1 68 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 9249 1 68 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 9250 1 68 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 9251 1 68 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 9252 1 68 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 9253 1 68 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 9254 1 68 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 9255 1 68 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 9256 1 68 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 9257 1 68 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 9258 1 68 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 9259 1 68 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 9260 1 68 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 9261 1 68 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 9262 1 68 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 9263 1 68 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 9264 1 68 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 9265 1 68 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 9266 1 68 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 9267 1 68 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 9268 1 68 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 9269 1 68 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 9270 1 68 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 9271 1 68 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 9272 1 68 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 9273 1 68 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 9274 1 68 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 9275 1 68 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 9276 1 68 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 9277 1 68 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 9278 1 68 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 9279 1 68 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 9280 1 68 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 9281 1 68 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 9282 1 68 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 9283 1 68 . 1 1 21 21 ASP N N 21 124.036 124.036 122.723 1.313 25601 9284 1 68 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 9285 1 68 . 1 1 22 22 THR N N 22 109.090 109.090 113.456 -4.366 25601 9286 1 68 . 1 1 22 22 THR H H 22 7.886 7.886 8.316 -0.430 25601 9287 1 68 . 1 1 23 23 ILE N N 23 121.455 121.455 121.983 -0.528 25601 9288 1 68 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 9289 1 68 . 1 1 25 25 CYS N N 25 121.510 121.510 117.928 3.582 25601 9290 1 68 . 1 1 25 25 CYS H H 25 7.940 7.940 7.979 -0.039 25601 9291 1 68 . 1 1 26 26 VAL N N 26 122.322 122.322 119.399 2.923 25601 9292 1 68 . 1 1 26 26 VAL H H 26 8.123 8.123 7.987 0.136 25601 9293 1 68 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 9294 1 68 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 9295 1 68 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 9296 1 68 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 9297 1 68 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 9298 1 68 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 9299 1 68 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 9300 1 68 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 9301 1 68 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 9302 1 68 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 9303 1 68 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 9304 1 68 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 9305 1 68 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 9306 1 68 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 9307 1 68 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 9308 1 68 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 9309 1 68 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 9310 1 68 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 9311 1 68 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 9312 1 68 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 9313 1 68 . 1 1 39 39 ASP N N 39 113.748 113.748 116.210 -2.462 25601 9314 1 68 . 1 1 39 39 ASP H H 39 8.554 8.554 8.598 -0.044 25601 9315 1 68 . 1 1 40 40 GLN N N 40 117.015 117.015 117.611 -0.596 25601 9316 1 68 . 1 1 40 40 GLN H H 40 7.841 7.841 7.826 0.015 25601 9317 1 68 . 1 1 41 41 GLN N N 41 118.149 118.149 119.831 -1.682 25601 9318 1 68 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 9319 1 68 . 1 1 42 42 ARG N N 42 123.178 123.178 124.092 -0.914 25601 9320 1 68 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 9321 1 68 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 9322 1 68 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 9323 1 68 . 1 1 44 44 ILE N N 44 122.637 122.637 121.402 1.235 25601 9324 1 68 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 9325 1 68 . 1 1 45 45 PHE N N 45 125.152 125.152 124.212 0.940 25601 9326 1 68 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 9327 1 68 . 1 1 46 46 ALA N N 46 112.473 112.473 127.225 -14.752 25601 9328 1 68 . 1 1 46 46 ALA H H 46 8.986 8.986 8.869 0.117 25601 9329 1 68 . 1 1 47 47 GLY N N 47 123.105 123.105 104.280 18.825 25601 9330 1 68 . 1 1 47 47 GLY H H 47 8.094 8.094 8.413 -0.319 25601 9331 1 68 . 1 1 48 48 CYS N N 48 122.066 122.066 119.708 2.358 25601 9332 1 68 . 1 1 48 48 CYS H H 48 8.001 8.001 7.987 0.014 25601 9333 1 68 . 1 1 49 49 GLN N N 49 123.249 123.249 121.855 1.394 25601 9334 1 68 . 1 1 49 49 GLN H H 49 8.641 8.641 8.589 0.052 25601 9335 1 68 . 1 1 50 50 LEU N N 50 125.854 125.854 123.644 2.210 25601 9336 1 68 . 1 1 50 50 LEU H H 50 8.576 8.576 8.568 0.008 25601 9337 1 68 . 1 1 51 51 GLU N N 51 123.307 123.307 121.190 2.117 25601 9338 1 68 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 9339 1 68 . 1 1 52 52 ASP N N 52 120.548 120.548 123.297 -2.749 25601 9340 1 68 . 1 1 52 52 ASP H H 52 8.166 8.166 8.736 -0.570 25601 9341 1 68 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 9342 1 68 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 9343 1 68 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 9344 1 68 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 9345 1 68 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 9346 1 68 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 9347 1 68 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 9348 1 68 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 9349 1 68 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 9350 1 68 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 9351 1 68 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 9352 1 68 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 9353 1 68 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 9354 1 68 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 9355 1 68 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 9356 1 68 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 9357 1 68 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 9358 1 68 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 9359 1 68 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 9360 1 68 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 9361 1 68 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 9362 1 68 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 9363 1 68 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 9364 1 68 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 9365 1 68 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 9366 1 68 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 9367 1 68 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 9368 1 68 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 9369 1 68 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 9370 1 68 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 9371 1 68 . 1 1 69 69 LEU N N 69 124.014 124.014 124.441 -0.427 25601 9372 1 68 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 9373 1 68 . 1 1 70 70 VAL N N 70 127.016 127.016 121.522 5.494 25601 9374 1 68 . 1 1 70 70 VAL H H 70 9.197 9.197 8.855 0.342 25601 9375 1 68 . 1 1 71 71 LEU N N 71 123.344 123.344 123.513 -0.169 25601 9376 1 68 . 1 1 71 71 LEU H H 71 8.116 8.116 8.415 -0.299 25601 9377 1 68 . 1 1 72 72 ARG N N 72 123.792 123.792 120.308 3.484 25601 9378 1 68 . 1 1 72 72 ARG H H 72 8.624 8.624 8.669 -0.045 25601 9379 1 68 . 1 1 73 73 LEU N N 73 124.467 124.467 119.377 5.090 25601 9380 1 68 . 1 1 73 73 LEU H H 73 8.352 8.352 8.496 -0.144 25601 9381 1 68 . 1 1 74 74 ARG N N 74 122.301 122.301 119.561 2.740 25601 9382 1 68 . 1 1 74 74 ARG H H 74 8.487 8.487 7.717 0.770 25601 9383 1 68 . 1 1 75 75 GLY N N 75 111.035 111.035 107.841 3.194 25601 9384 1 68 . 1 1 75 75 GLY H H 75 8.568 8.568 8.450 0.118 25601 9385 1 69 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 9386 1 69 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 9387 1 69 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 9388 1 69 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 9389 1 69 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 9390 1 69 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 9391 1 69 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 9392 1 69 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 9393 1 69 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 9394 1 69 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 9395 1 69 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 9396 1 69 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 9397 1 69 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 9398 1 69 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 9399 1 69 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 9400 1 69 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 9401 1 69 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 9402 1 69 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 9403 1 69 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 9404 1 69 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 9405 1 69 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 9406 1 69 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 9407 1 69 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 9408 1 69 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 9409 1 69 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 9410 1 69 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 9411 1 69 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 9412 1 69 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 9413 1 69 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 9414 1 69 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 9415 1 69 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 9416 1 69 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 9417 1 69 . 1 1 18 18 GLU N N 18 119.594 119.594 120.110 -0.516 25601 9418 1 69 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 9419 1 69 . 1 1 20 20 SER N N 20 124.154 124.154 111.623 12.531 25601 9420 1 69 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 9421 1 69 . 1 1 21 21 ASP N N 21 124.036 124.036 122.769 1.267 25601 9422 1 69 . 1 1 21 21 ASP H H 21 8.070 8.070 7.838 0.232 25601 9423 1 69 . 1 1 22 22 THR N N 22 109.090 109.090 113.372 -4.282 25601 9424 1 69 . 1 1 22 22 THR H H 22 7.886 7.886 8.318 -0.432 25601 9425 1 69 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 9426 1 69 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 9427 1 69 . 1 1 25 25 CYS N N 25 121.510 121.510 117.966 3.544 25601 9428 1 69 . 1 1 25 25 CYS H H 25 7.940 7.940 7.976 -0.036 25601 9429 1 69 . 1 1 26 26 VAL N N 26 122.322 122.322 118.991 3.331 25601 9430 1 69 . 1 1 26 26 VAL H H 26 8.123 8.123 7.928 0.195 25601 9431 1 69 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 9432 1 69 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 9433 1 69 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 9434 1 69 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 9435 1 69 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 9436 1 69 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 9437 1 69 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 9438 1 69 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 9439 1 69 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 9440 1 69 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 9441 1 69 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 9442 1 69 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 9443 1 69 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 9444 1 69 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 9445 1 69 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 9446 1 69 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 9447 1 69 . 1 1 35 35 GLY N N 35 108.947 108.947 106.848 2.099 25601 9448 1 69 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 9449 1 69 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 9450 1 69 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 9451 1 69 . 1 1 39 39 ASP N N 39 113.748 113.748 116.028 -2.280 25601 9452 1 69 . 1 1 39 39 ASP H H 39 8.554 8.554 8.830 -0.276 25601 9453 1 69 . 1 1 40 40 GLN N N 40 117.015 117.015 117.414 -0.399 25601 9454 1 69 . 1 1 40 40 GLN H H 40 7.841 7.841 7.899 -0.058 25601 9455 1 69 . 1 1 41 41 GLN N N 41 118.149 118.149 119.851 -1.702 25601 9456 1 69 . 1 1 41 41 GLN H H 41 7.494 7.494 7.507 -0.013 25601 9457 1 69 . 1 1 42 42 ARG N N 42 123.178 123.178 124.152 -0.974 25601 9458 1 69 . 1 1 42 42 ARG H H 42 8.514 8.514 8.627 -0.113 25601 9459 1 69 . 1 1 43 43 LEU N N 43 124.593 124.593 124.724 -0.131 25601 9460 1 69 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 9461 1 69 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 9462 1 69 . 1 1 44 44 ILE H H 44 9.155 9.155 8.800 0.355 25601 9463 1 69 . 1 1 45 45 PHE N N 45 125.152 125.152 124.184 0.968 25601 9464 1 69 . 1 1 45 45 PHE H H 45 8.865 8.865 8.592 0.273 25601 9465 1 69 . 1 1 46 46 ALA N N 46 112.473 112.473 127.195 -14.722 25601 9466 1 69 . 1 1 46 46 ALA H H 46 8.986 8.986 8.855 0.131 25601 9467 1 69 . 1 1 47 47 GLY N N 47 123.105 123.105 104.177 18.928 25601 9468 1 69 . 1 1 47 47 GLY H H 47 8.094 8.094 8.408 -0.314 25601 9469 1 69 . 1 1 48 48 CYS N N 48 122.066 122.066 119.710 2.356 25601 9470 1 69 . 1 1 48 48 CYS H H 48 8.001 8.001 7.985 0.016 25601 9471 1 69 . 1 1 49 49 GLN N N 49 123.249 123.249 121.838 1.411 25601 9472 1 69 . 1 1 49 49 GLN H H 49 8.641 8.641 8.590 0.051 25601 9473 1 69 . 1 1 50 50 LEU N N 50 125.854 125.854 123.651 2.203 25601 9474 1 69 . 1 1 50 50 LEU H H 50 8.576 8.576 8.567 0.009 25601 9475 1 69 . 1 1 51 51 GLU N N 51 123.307 123.307 121.190 2.117 25601 9476 1 69 . 1 1 51 51 GLU H H 51 8.391 8.391 8.332 0.059 25601 9477 1 69 . 1 1 52 52 ASP N N 52 120.548 120.548 123.282 -2.734 25601 9478 1 69 . 1 1 52 52 ASP H H 52 8.166 8.166 8.723 -0.557 25601 9479 1 69 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 9480 1 69 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 9481 1 69 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 9482 1 69 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 9483 1 69 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 9484 1 69 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 9485 1 69 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 9486 1 69 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 9487 1 69 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 9488 1 69 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 9489 1 69 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 9490 1 69 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 9491 1 69 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 9492 1 69 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 9493 1 69 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 9494 1 69 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 9495 1 69 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 9496 1 69 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 9497 1 69 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 9498 1 69 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 9499 1 69 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 9500 1 69 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 9501 1 69 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 9502 1 69 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 9503 1 69 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 9504 1 69 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 9505 1 69 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 9506 1 69 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 9507 1 69 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 9508 1 69 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 9509 1 69 . 1 1 69 69 LEU N N 69 124.014 124.014 124.444 -0.430 25601 9510 1 69 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 9511 1 69 . 1 1 70 70 VAL N N 70 127.016 127.016 121.558 5.458 25601 9512 1 69 . 1 1 70 70 VAL H H 70 9.197 9.197 8.863 0.334 25601 9513 1 69 . 1 1 71 71 LEU N N 71 123.344 123.344 122.534 0.810 25601 9514 1 69 . 1 1 71 71 LEU H H 71 8.116 8.116 8.208 -0.092 25601 9515 1 69 . 1 1 72 72 ARG N N 72 123.792 123.792 122.385 1.407 25601 9516 1 69 . 1 1 72 72 ARG H H 72 8.624 8.624 8.825 -0.201 25601 9517 1 69 . 1 1 73 73 LEU N N 73 124.467 124.467 118.459 6.008 25601 9518 1 69 . 1 1 73 73 LEU H H 73 8.352 8.352 8.360 -0.008 25601 9519 1 69 . 1 1 74 74 ARG N N 74 122.301 122.301 122.488 -0.187 25601 9520 1 69 . 1 1 74 74 ARG H H 74 8.487 8.487 8.029 0.458 25601 9521 1 69 . 1 1 75 75 GLY N N 75 111.035 111.035 109.354 1.681 25601 9522 1 69 . 1 1 75 75 GLY H H 75 8.568 8.568 8.664 -0.096 25601 9523 1 70 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 9524 1 70 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 9525 1 70 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 9526 1 70 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 9527 1 70 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 9528 1 70 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 9529 1 70 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 9530 1 70 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 9531 1 70 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 9532 1 70 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 9533 1 70 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 9534 1 70 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 9535 1 70 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 9536 1 70 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 9537 1 70 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 9538 1 70 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 9539 1 70 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 9540 1 70 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 9541 1 70 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 9542 1 70 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 9543 1 70 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 9544 1 70 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 9545 1 70 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 9546 1 70 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 9547 1 70 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 9548 1 70 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 9549 1 70 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 9550 1 70 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 9551 1 70 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 9552 1 70 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 9553 1 70 . 1 1 17 17 VAL N N 17 117.729 117.729 120.236 -2.507 25601 9554 1 70 . 1 1 17 17 VAL H H 17 8.944 8.944 8.549 0.395 25601 9555 1 70 . 1 1 18 18 GLU N N 18 119.594 119.594 120.111 -0.517 25601 9556 1 70 . 1 1 18 18 GLU H H 18 8.700 8.700 8.858 -0.158 25601 9557 1 70 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 9558 1 70 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 9559 1 70 . 1 1 21 21 ASP N N 21 124.036 124.036 122.723 1.313 25601 9560 1 70 . 1 1 21 21 ASP H H 21 8.070 8.070 7.836 0.234 25601 9561 1 70 . 1 1 22 22 THR N N 22 109.090 109.090 113.451 -4.361 25601 9562 1 70 . 1 1 22 22 THR H H 22 7.886 7.886 8.327 -0.441 25601 9563 1 70 . 1 1 23 23 ILE N N 23 121.455 121.455 121.984 -0.529 25601 9564 1 70 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 9565 1 70 . 1 1 25 25 CYS N N 25 121.510 121.510 118.057 3.453 25601 9566 1 70 . 1 1 25 25 CYS H H 25 7.940 7.940 8.003 -0.063 25601 9567 1 70 . 1 1 26 26 VAL N N 26 122.322 122.322 119.054 3.268 25601 9568 1 70 . 1 1 26 26 VAL H H 26 8.123 8.123 7.956 0.167 25601 9569 1 70 . 1 1 27 27 LYS N N 27 119.098 119.098 117.799 1.299 25601 9570 1 70 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 9571 1 70 . 1 1 28 28 ALA N N 28 123.566 123.566 121.659 1.907 25601 9572 1 70 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 9573 1 70 . 1 1 29 29 LYS N N 29 120.388 120.388 118.645 1.743 25601 9574 1 70 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 9575 1 70 . 1 1 30 30 ILE N N 30 121.472 121.472 119.102 2.370 25601 9576 1 70 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 9577 1 70 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 9578 1 70 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 9579 1 70 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 9580 1 70 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 9581 1 70 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 9582 1 70 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 9583 1 70 . 1 1 34 34 GLU N N 34 114.495 114.495 117.281 -2.786 25601 9584 1 70 . 1 1 34 34 GLU H H 34 8.740 8.740 8.357 0.383 25601 9585 1 70 . 1 1 35 35 GLY N N 35 108.947 108.947 106.847 2.100 25601 9586 1 70 . 1 1 35 35 GLY H H 35 8.502 8.502 8.299 0.203 25601 9587 1 70 . 1 1 36 36 ILE N N 36 120.438 120.438 122.759 -2.321 25601 9588 1 70 . 1 1 36 36 ILE H H 36 6.186 6.186 7.801 -1.615 25601 9589 1 70 . 1 1 39 39 ASP N N 39 113.748 113.748 117.742 -3.994 25601 9590 1 70 . 1 1 39 39 ASP H H 39 8.554 8.554 8.824 -0.270 25601 9591 1 70 . 1 1 40 40 GLN N N 40 117.015 117.015 117.901 -0.886 25601 9592 1 70 . 1 1 40 40 GLN H H 40 7.841 7.841 8.151 -0.310 25601 9593 1 70 . 1 1 41 41 GLN N N 41 118.149 118.149 119.848 -1.699 25601 9594 1 70 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 9595 1 70 . 1 1 42 42 ARG N N 42 123.178 123.178 124.080 -0.902 25601 9596 1 70 . 1 1 42 42 ARG H H 42 8.514 8.514 8.631 -0.117 25601 9597 1 70 . 1 1 43 43 LEU N N 43 124.593 124.593 124.735 -0.142 25601 9598 1 70 . 1 1 43 43 LEU H H 43 8.818 8.818 8.728 0.090 25601 9599 1 70 . 1 1 44 44 ILE N N 44 122.637 122.637 121.401 1.236 25601 9600 1 70 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 9601 1 70 . 1 1 45 45 PHE N N 45 125.152 125.152 124.210 0.942 25601 9602 1 70 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 9603 1 70 . 1 1 46 46 ALA N N 46 112.473 112.473 127.225 -14.752 25601 9604 1 70 . 1 1 46 46 ALA H H 46 8.986 8.986 8.870 0.116 25601 9605 1 70 . 1 1 47 47 GLY N N 47 123.105 123.105 104.180 18.925 25601 9606 1 70 . 1 1 47 47 GLY H H 47 8.094 8.094 8.457 -0.363 25601 9607 1 70 . 1 1 48 48 CYS N N 48 122.066 122.066 119.503 2.563 25601 9608 1 70 . 1 1 48 48 CYS H H 48 8.001 8.001 7.964 0.037 25601 9609 1 70 . 1 1 49 49 GLN N N 49 123.249 123.249 123.478 -0.229 25601 9610 1 70 . 1 1 49 49 GLN H H 49 8.641 8.641 8.580 0.061 25601 9611 1 70 . 1 1 50 50 LEU N N 50 125.854 125.854 123.600 2.254 25601 9612 1 70 . 1 1 50 50 LEU H H 50 8.576 8.576 8.570 0.006 25601 9613 1 70 . 1 1 51 51 GLU N N 51 123.307 123.307 121.196 2.111 25601 9614 1 70 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 9615 1 70 . 1 1 52 52 ASP N N 52 120.548 120.548 125.144 -4.596 25601 9616 1 70 . 1 1 52 52 ASP H H 52 8.166 8.166 8.967 -0.801 25601 9617 1 70 . 1 1 54 54 ARG N N 54 119.451 119.451 121.212 -1.761 25601 9618 1 70 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 9619 1 70 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 9620 1 70 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 9621 1 70 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 9622 1 70 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 9623 1 70 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 9624 1 70 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 9625 1 70 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 9626 1 70 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 9627 1 70 . 1 1 59 59 TYR N N 59 115.893 115.893 117.819 -1.926 25601 9628 1 70 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 9629 1 70 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 9630 1 70 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 9631 1 70 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 9632 1 70 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 9633 1 70 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 9634 1 70 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 9635 1 70 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 9636 1 70 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 9637 1 70 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 9638 1 70 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 9639 1 70 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 9640 1 70 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 9641 1 70 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 9642 1 70 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 9643 1 70 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 9644 1 70 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 9645 1 70 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 9646 1 70 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 9647 1 70 . 1 1 69 69 LEU N N 69 124.014 124.014 124.443 -0.429 25601 9648 1 70 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 9649 1 70 . 1 1 70 70 VAL N N 70 127.016 127.016 121.541 5.475 25601 9650 1 70 . 1 1 70 70 VAL H H 70 9.197 9.197 8.862 0.335 25601 9651 1 70 . 1 1 71 71 LEU N N 71 123.344 123.344 123.931 -0.587 25601 9652 1 70 . 1 1 71 71 LEU H H 71 8.116 8.116 8.389 -0.273 25601 9653 1 70 . 1 1 72 72 ARG N N 72 123.792 123.792 120.903 2.889 25601 9654 1 70 . 1 1 72 72 ARG H H 72 8.624 8.624 8.581 0.043 25601 9655 1 70 . 1 1 73 73 LEU N N 73 124.467 124.467 116.978 7.489 25601 9656 1 70 . 1 1 73 73 LEU H H 73 8.352 8.352 8.581 -0.229 25601 9657 1 70 . 1 1 74 74 ARG N N 74 122.301 122.301 117.007 5.294 25601 9658 1 70 . 1 1 74 74 ARG H H 74 8.487 8.487 7.775 0.712 25601 9659 1 70 . 1 1 75 75 GLY N N 75 111.035 111.035 109.837 1.198 25601 9660 1 70 . 1 1 75 75 GLY H H 75 8.568 8.568 7.982 0.586 25601 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 69 4.511 -1.058 4.417 25601 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25601 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25601 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25601 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25601 6 1 1 "Average Difference" HN 69 0.445 -0.013 0.448 25601 7 1 2 "Average Difference" N 69 4.502 -1.016 4.418 25601 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25601 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25601 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25601 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25601 12 1 2 "Average Difference" HN 69 0.446 0.000 0.449 25601 13 1 3 "Average Difference" N 69 4.423 -0.802 4.382 25601 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25601 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25601 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25601 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25601 18 1 3 "Average Difference" HN 69 0.443 0.010 0.447 25601 19 1 4 "Average Difference" N 69 4.418 -0.971 4.342 25601 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25601 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25601 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25601 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25601 24 1 4 "Average Difference" HN 69 0.435 -0.019 0.438 25601 25 1 5 "Average Difference" N 69 4.467 -1.028 4.379 25601 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25601 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25601 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25601 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25601 30 1 5 "Average Difference" HN 69 0.437 -0.010 0.440 25601 31 1 6 "Average Difference" N 69 4.443 -1.073 4.343 25601 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25601 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25601 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25601 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25601 36 1 6 "Average Difference" HN 69 0.424 -0.013 0.427 25601 37 1 7 "Average Difference" N 69 4.464 -0.935 4.397 25601 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25601 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25601 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25601 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25601 42 1 7 "Average Difference" HN 69 0.440 0.001 0.444 25601 43 1 8 "Average Difference" N 69 4.476 -1.047 4.384 25601 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25601 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25601 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25601 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25601 48 1 8 "Average Difference" HN 69 0.436 -0.022 0.438 25601 49 1 9 "Average Difference" N 69 4.479 -1.052 4.386 25601 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25601 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25601 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25601 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25601 54 1 9 "Average Difference" HN 69 0.438 -0.008 0.441 25601 55 1 10 "Average Difference" N 69 4.461 -0.922 4.396 25601 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25601 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25601 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25601 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25601 60 1 10 "Average Difference" HN 69 0.429 -0.003 0.432 25601 61 1 11 "Average Difference" N 69 4.392 -0.847 4.341 25601 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25601 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25601 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25601 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25601 66 1 11 "Average Difference" HN 69 0.437 -0.007 0.440 25601 67 1 12 "Average Difference" N 69 4.525 -1.041 4.436 25601 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25601 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25601 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25601 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25601 72 1 12 "Average Difference" HN 69 0.442 -0.008 0.445 25601 73 1 13 "Average Difference" N 69 4.391 -0.910 4.327 25601 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25601 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25601 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25601 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25601 78 1 13 "Average Difference" HN 69 0.435 -0.013 0.438 25601 79 1 14 "Average Difference" N 69 4.384 -0.952 4.310 25601 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25601 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25601 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25601 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25601 84 1 14 "Average Difference" HN 69 0.427 -0.005 0.430 25601 85 1 15 "Average Difference" N 69 4.403 -0.882 4.345 25601 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25601 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25601 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25601 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25601 90 1 15 "Average Difference" HN 69 0.438 -0.004 0.441 25601 91 1 16 "Average Difference" N 69 4.446 -0.983 4.368 25601 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25601 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25601 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25601 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25601 96 1 16 "Average Difference" HN 69 0.446 -0.003 0.449 25601 97 1 17 "Average Difference" N 69 4.474 -1.050 4.380 25601 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25601 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25601 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25601 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25601 102 1 17 "Average Difference" HN 69 0.429 -0.001 0.432 25601 103 1 18 "Average Difference" N 69 4.416 -0.924 4.350 25601 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25601 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25601 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25601 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25601 108 1 18 "Average Difference" HN 69 0.437 -0.004 0.440 25601 109 1 19 "Average Difference" N 69 4.488 -1.022 4.402 25601 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25601 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25601 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25601 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25601 114 1 19 "Average Difference" HN 69 0.440 -0.013 0.443 25601 115 1 20 "Average Difference" N 69 4.576 -1.172 4.456 25601 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25601 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25601 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25601 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25601 120 1 20 "Average Difference" HN 69 0.433 -0.016 0.436 25601 121 1 21 "Average Difference" N 69 4.445 -1.017 4.359 25601 122 1 21 "Average Difference" HA 0 0.000 0.000 0.000 25601 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25601 124 1 21 "Average Difference" CA 0 0.000 0.000 0.000 25601 125 1 21 "Average Difference" CB 0 0.000 0.000 0.000 25601 126 1 21 "Average Difference" HN 69 0.437 -0.012 0.440 25601 127 1 22 "Average Difference" N 69 4.454 -0.964 4.380 25601 128 1 22 "Average Difference" HA 0 0.000 0.000 0.000 25601 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25601 130 1 22 "Average Difference" CA 0 0.000 0.000 0.000 25601 131 1 22 "Average Difference" CB 0 0.000 0.000 0.000 25601 132 1 22 "Average Difference" HN 69 0.442 -0.005 0.445 25601 133 1 23 "Average Difference" N 69 4.489 -1.031 4.401 25601 134 1 23 "Average Difference" HA 0 0.000 0.000 0.000 25601 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25601 136 1 23 "Average Difference" CA 0 0.000 0.000 0.000 25601 137 1 23 "Average Difference" CB 0 0.000 0.000 0.000 25601 138 1 23 "Average Difference" HN 69 0.444 0.001 0.447 25601 139 1 24 "Average Difference" N 69 4.422 -0.948 4.351 25601 140 1 24 "Average Difference" HA 0 0.000 0.000 0.000 25601 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25601 142 1 24 "Average Difference" CA 0 0.000 0.000 0.000 25601 143 1 24 "Average Difference" CB 0 0.000 0.000 0.000 25601 144 1 24 "Average Difference" HN 69 0.452 0.004 0.455 25601 145 1 25 "Average Difference" N 69 4.455 -0.990 4.376 25601 146 1 25 "Average Difference" HA 0 0.000 0.000 0.000 25601 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25601 148 1 25 "Average Difference" CA 0 0.000 0.000 0.000 25601 149 1 25 "Average Difference" CB 0 0.000 0.000 0.000 25601 150 1 25 "Average Difference" HN 69 0.438 -0.006 0.441 25601 151 1 26 "Average Difference" N 69 4.458 -0.957 4.386 25601 152 1 26 "Average Difference" HA 0 0.000 0.000 0.000 25601 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 25601 154 1 26 "Average Difference" CA 0 0.000 0.000 0.000 25601 155 1 26 "Average Difference" CB 0 0.000 0.000 0.000 25601 156 1 26 "Average Difference" HN 69 0.440 -0.014 0.443 25601 157 1 27 "Average Difference" N 69 4.507 -1.080 4.408 25601 158 1 27 "Average Difference" HA 0 0.000 0.000 0.000 25601 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 25601 160 1 27 "Average Difference" CA 0 0.000 0.000 0.000 25601 161 1 27 "Average Difference" CB 0 0.000 0.000 0.000 25601 162 1 27 "Average Difference" HN 69 0.431 -0.009 0.434 25601 163 1 28 "Average Difference" N 69 4.425 -0.991 4.345 25601 164 1 28 "Average Difference" HA 0 0.000 0.000 0.000 25601 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 25601 166 1 28 "Average Difference" CA 0 0.000 0.000 0.000 25601 167 1 28 "Average Difference" CB 0 0.000 0.000 0.000 25601 168 1 28 "Average Difference" HN 69 0.431 -0.006 0.434 25601 169 1 29 "Average Difference" N 69 4.375 -0.916 4.309 25601 170 1 29 "Average Difference" HA 0 0.000 0.000 0.000 25601 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 25601 172 1 29 "Average Difference" CA 0 0.000 0.000 0.000 25601 173 1 29 "Average Difference" CB 0 0.000 0.000 0.000 25601 174 1 29 "Average Difference" HN 69 0.440 -0.009 0.443 25601 175 1 30 "Average Difference" N 69 4.530 -1.130 4.419 25601 176 1 30 "Average Difference" HA 0 0.000 0.000 0.000 25601 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 25601 178 1 30 "Average Difference" CA 0 0.000 0.000 0.000 25601 179 1 30 "Average Difference" CB 0 0.000 0.000 0.000 25601 180 1 30 "Average Difference" HN 69 0.441 -0.012 0.444 25601 181 1 31 "Average Difference" N 69 4.446 -1.007 4.362 25601 182 1 31 "Average Difference" HA 0 0.000 0.000 0.000 25601 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 25601 184 1 31 "Average Difference" CA 0 0.000 0.000 0.000 25601 185 1 31 "Average Difference" CB 0 0.000 0.000 0.000 25601 186 1 31 "Average Difference" HN 69 0.432 -0.016 0.435 25601 187 1 32 "Average Difference" N 69 4.491 -1.012 4.407 25601 188 1 32 "Average Difference" HA 0 0.000 0.000 0.000 25601 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 25601 190 1 32 "Average Difference" CA 0 0.000 0.000 0.000 25601 191 1 32 "Average Difference" CB 0 0.000 0.000 0.000 25601 192 1 32 "Average Difference" HN 69 0.439 -0.018 0.442 25601 193 1 33 "Average Difference" N 69 4.443 -1.011 4.358 25601 194 1 33 "Average Difference" HA 0 0.000 0.000 0.000 25601 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 25601 196 1 33 "Average Difference" CA 0 0.000 0.000 0.000 25601 197 1 33 "Average Difference" CB 0 0.000 0.000 0.000 25601 198 1 33 "Average Difference" HN 69 0.437 -0.010 0.440 25601 199 1 34 "Average Difference" N 69 4.508 -1.063 4.413 25601 200 1 34 "Average Difference" HA 0 0.000 0.000 0.000 25601 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 25601 202 1 34 "Average Difference" CA 0 0.000 0.000 0.000 25601 203 1 34 "Average Difference" CB 0 0.000 0.000 0.000 25601 204 1 34 "Average Difference" HN 69 0.436 -0.005 0.439 25601 205 1 35 "Average Difference" N 69 4.431 -0.976 4.354 25601 206 1 35 "Average Difference" HA 0 0.000 0.000 0.000 25601 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 25601 208 1 35 "Average Difference" CA 0 0.000 0.000 0.000 25601 209 1 35 "Average Difference" CB 0 0.000 0.000 0.000 25601 210 1 35 "Average Difference" HN 69 0.442 -0.022 0.445 25601 211 1 36 "Average Difference" N 69 4.439 -1.010 4.354 25601 212 1 36 "Average Difference" HA 0 0.000 0.000 0.000 25601 213 1 36 "Average Difference" C 0 0.000 0.000 0.000 25601 214 1 36 "Average Difference" CA 0 0.000 0.000 0.000 25601 215 1 36 "Average Difference" CB 0 0.000 0.000 0.000 25601 216 1 36 "Average Difference" HN 69 0.433 -0.008 0.437 25601 217 1 37 "Average Difference" N 69 4.415 -0.971 4.338 25601 218 1 37 "Average Difference" HA 0 0.000 0.000 0.000 25601 219 1 37 "Average Difference" C 0 0.000 0.000 0.000 25601 220 1 37 "Average Difference" CA 0 0.000 0.000 0.000 25601 221 1 37 "Average Difference" CB 0 0.000 0.000 0.000 25601 222 1 37 "Average Difference" HN 69 0.448 -0.009 0.451 25601 223 1 38 "Average Difference" N 69 4.448 -0.946 4.378 25601 224 1 38 "Average Difference" HA 0 0.000 0.000 0.000 25601 225 1 38 "Average Difference" C 0 0.000 0.000 0.000 25601 226 1 38 "Average Difference" CA 0 0.000 0.000 0.000 25601 227 1 38 "Average Difference" CB 0 0.000 0.000 0.000 25601 228 1 38 "Average Difference" HN 69 0.441 -0.006 0.444 25601 229 1 39 "Average Difference" N 69 4.462 -0.996 4.381 25601 230 1 39 "Average Difference" HA 0 0.000 0.000 0.000 25601 231 1 39 "Average Difference" C 0 0.000 0.000 0.000 25601 232 1 39 "Average Difference" CA 0 0.000 0.000 0.000 25601 233 1 39 "Average Difference" CB 0 0.000 0.000 0.000 25601 234 1 39 "Average Difference" HN 69 0.437 -0.007 0.440 25601 235 1 40 "Average Difference" N 69 4.513 -1.096 4.410 25601 236 1 40 "Average Difference" HA 0 0.000 0.000 0.000 25601 237 1 40 "Average Difference" C 0 0.000 0.000 0.000 25601 238 1 40 "Average Difference" CA 0 0.000 0.000 0.000 25601 239 1 40 "Average Difference" CB 0 0.000 0.000 0.000 25601 240 1 40 "Average Difference" HN 69 0.447 -0.022 0.449 25601 241 1 41 "Average Difference" N 69 4.420 -0.888 4.362 25601 242 1 41 "Average Difference" HA 0 0.000 0.000 0.000 25601 243 1 41 "Average Difference" C 0 0.000 0.000 0.000 25601 244 1 41 "Average Difference" CA 0 0.000 0.000 0.000 25601 245 1 41 "Average Difference" CB 0 0.000 0.000 0.000 25601 246 1 41 "Average Difference" HN 69 0.453 -0.016 0.457 25601 247 1 42 "Average Difference" N 69 4.471 -1.012 4.387 25601 248 1 42 "Average Difference" HA 0 0.000 0.000 0.000 25601 249 1 42 "Average Difference" C 0 0.000 0.000 0.000 25601 250 1 42 "Average Difference" CA 0 0.000 0.000 0.000 25601 251 1 42 "Average Difference" CB 0 0.000 0.000 0.000 25601 252 1 42 "Average Difference" HN 69 0.438 -0.001 0.441 25601 253 1 43 "Average Difference" N 69 4.486 -1.094 4.382 25601 254 1 43 "Average Difference" HA 0 0.000 0.000 0.000 25601 255 1 43 "Average Difference" C 0 0.000 0.000 0.000 25601 256 1 43 "Average Difference" CA 0 0.000 0.000 0.000 25601 257 1 43 "Average Difference" CB 0 0.000 0.000 0.000 25601 258 1 43 "Average Difference" HN 69 0.446 -0.024 0.449 25601 259 1 44 "Average Difference" N 69 4.385 -0.948 4.312 25601 260 1 44 "Average Difference" HA 0 0.000 0.000 0.000 25601 261 1 44 "Average Difference" C 0 0.000 0.000 0.000 25601 262 1 44 "Average Difference" CA 0 0.000 0.000 0.000 25601 263 1 44 "Average Difference" CB 0 0.000 0.000 0.000 25601 264 1 44 "Average Difference" HN 69 0.432 -0.011 0.435 25601 265 1 45 "Average Difference" N 69 4.453 -0.940 4.385 25601 266 1 45 "Average Difference" HA 0 0.000 0.000 0.000 25601 267 1 45 "Average Difference" C 0 0.000 0.000 0.000 25601 268 1 45 "Average Difference" CA 0 0.000 0.000 0.000 25601 269 1 45 "Average Difference" CB 0 0.000 0.000 0.000 25601 270 1 45 "Average Difference" HN 69 0.447 0.001 0.451 25601 271 1 46 "Average Difference" N 69 4.492 -1.013 4.408 25601 272 1 46 "Average Difference" HA 0 0.000 0.000 0.000 25601 273 1 46 "Average Difference" C 0 0.000 0.000 0.000 25601 274 1 46 "Average Difference" CA 0 0.000 0.000 0.000 25601 275 1 46 "Average Difference" CB 0 0.000 0.000 0.000 25601 276 1 46 "Average Difference" HN 69 0.447 -0.011 0.450 25601 277 1 47 "Average Difference" N 69 4.529 -1.078 4.432 25601 278 1 47 "Average Difference" HA 0 0.000 0.000 0.000 25601 279 1 47 "Average Difference" C 0 0.000 0.000 0.000 25601 280 1 47 "Average Difference" CA 0 0.000 0.000 0.000 25601 281 1 47 "Average Difference" CB 0 0.000 0.000 0.000 25601 282 1 47 "Average Difference" HN 69 0.442 -0.005 0.445 25601 283 1 48 "Average Difference" N 69 4.572 -1.116 4.466 25601 284 1 48 "Average Difference" HA 0 0.000 0.000 0.000 25601 285 1 48 "Average Difference" C 0 0.000 0.000 0.000 25601 286 1 48 "Average Difference" CA 0 0.000 0.000 0.000 25601 287 1 48 "Average Difference" CB 0 0.000 0.000 0.000 25601 288 1 48 "Average Difference" HN 69 0.437 0.001 0.440 25601 289 1 49 "Average Difference" N 69 4.496 -1.018 4.411 25601 290 1 49 "Average Difference" HA 0 0.000 0.000 0.000 25601 291 1 49 "Average Difference" C 0 0.000 0.000 0.000 25601 292 1 49 "Average Difference" CA 0 0.000 0.000 0.000 25601 293 1 49 "Average Difference" CB 0 0.000 0.000 0.000 25601 294 1 49 "Average Difference" HN 69 0.444 -0.026 0.446 25601 295 1 50 "Average Difference" N 69 4.567 -1.107 4.463 25601 296 1 50 "Average Difference" HA 0 0.000 0.000 0.000 25601 297 1 50 "Average Difference" C 0 0.000 0.000 0.000 25601 298 1 50 "Average Difference" CA 0 0.000 0.000 0.000 25601 299 1 50 "Average Difference" CB 0 0.000 0.000 0.000 25601 300 1 50 "Average Difference" HN 69 0.445 -0.035 0.447 25601 301 1 51 "Average Difference" N 69 4.469 -0.995 4.389 25601 302 1 51 "Average Difference" HA 0 0.000 0.000 0.000 25601 303 1 51 "Average Difference" C 0 0.000 0.000 0.000 25601 304 1 51 "Average Difference" CA 0 0.000 0.000 0.000 25601 305 1 51 "Average Difference" CB 0 0.000 0.000 0.000 25601 306 1 51 "Average Difference" HN 69 0.443 -0.005 0.447 25601 307 1 52 "Average Difference" N 69 4.496 -1.099 4.392 25601 308 1 52 "Average Difference" HA 0 0.000 0.000 0.000 25601 309 1 52 "Average Difference" C 0 0.000 0.000 0.000 25601 310 1 52 "Average Difference" CA 0 0.000 0.000 0.000 25601 311 1 52 "Average Difference" CB 0 0.000 0.000 0.000 25601 312 1 52 "Average Difference" HN 69 0.446 -0.009 0.449 25601 313 1 53 "Average Difference" N 69 4.441 -1.045 4.348 25601 314 1 53 "Average Difference" HA 0 0.000 0.000 0.000 25601 315 1 53 "Average Difference" C 0 0.000 0.000 0.000 25601 316 1 53 "Average Difference" CA 0 0.000 0.000 0.000 25601 317 1 53 "Average Difference" CB 0 0.000 0.000 0.000 25601 318 1 53 "Average Difference" HN 69 0.433 -0.018 0.436 25601 319 1 54 "Average Difference" N 69 4.456 -0.974 4.380 25601 320 1 54 "Average Difference" HA 0 0.000 0.000 0.000 25601 321 1 54 "Average Difference" C 0 0.000 0.000 0.000 25601 322 1 54 "Average Difference" CA 0 0.000 0.000 0.000 25601 323 1 54 "Average Difference" CB 0 0.000 0.000 0.000 25601 324 1 54 "Average Difference" HN 69 0.446 0.004 0.449 25601 325 1 55 "Average Difference" N 69 4.509 -1.092 4.406 25601 326 1 55 "Average Difference" HA 0 0.000 0.000 0.000 25601 327 1 55 "Average Difference" C 0 0.000 0.000 0.000 25601 328 1 55 "Average Difference" CA 0 0.000 0.000 0.000 25601 329 1 55 "Average Difference" CB 0 0.000 0.000 0.000 25601 330 1 55 "Average Difference" HN 69 0.446 -0.021 0.449 25601 331 1 56 "Average Difference" N 69 4.565 -1.034 4.479 25601 332 1 56 "Average Difference" HA 0 0.000 0.000 0.000 25601 333 1 56 "Average Difference" C 0 0.000 0.000 0.000 25601 334 1 56 "Average Difference" CA 0 0.000 0.000 0.000 25601 335 1 56 "Average Difference" CB 0 0.000 0.000 0.000 25601 336 1 56 "Average Difference" HN 69 0.448 -0.018 0.451 25601 337 1 57 "Average Difference" N 69 4.569 -1.014 4.488 25601 338 1 57 "Average Difference" HA 0 0.000 0.000 0.000 25601 339 1 57 "Average Difference" C 0 0.000 0.000 0.000 25601 340 1 57 "Average Difference" CA 0 0.000 0.000 0.000 25601 341 1 57 "Average Difference" CB 0 0.000 0.000 0.000 25601 342 1 57 "Average Difference" HN 69 0.448 -0.017 0.451 25601 343 1 58 "Average Difference" N 69 4.477 -1.078 4.378 25601 344 1 58 "Average Difference" HA 0 0.000 0.000 0.000 25601 345 1 58 "Average Difference" C 0 0.000 0.000 0.000 25601 346 1 58 "Average Difference" CA 0 0.000 0.000 0.000 25601 347 1 58 "Average Difference" CB 0 0.000 0.000 0.000 25601 348 1 58 "Average Difference" HN 69 0.435 -0.016 0.438 25601 349 1 59 "Average Difference" N 69 4.496 -1.106 4.390 25601 350 1 59 "Average Difference" HA 0 0.000 0.000 0.000 25601 351 1 59 "Average Difference" C 0 0.000 0.000 0.000 25601 352 1 59 "Average Difference" CA 0 0.000 0.000 0.000 25601 353 1 59 "Average Difference" CB 0 0.000 0.000 0.000 25601 354 1 59 "Average Difference" HN 69 0.439 -0.018 0.442 25601 355 1 60 "Average Difference" N 69 4.550 -1.052 4.460 25601 356 1 60 "Average Difference" HA 0 0.000 0.000 0.000 25601 357 1 60 "Average Difference" C 0 0.000 0.000 0.000 25601 358 1 60 "Average Difference" CA 0 0.000 0.000 0.000 25601 359 1 60 "Average Difference" CB 0 0.000 0.000 0.000 25601 360 1 60 "Average Difference" HN 69 0.458 -0.008 0.462 25601 361 1 61 "Average Difference" N 69 4.411 -0.910 4.348 25601 362 1 61 "Average Difference" HA 0 0.000 0.000 0.000 25601 363 1 61 "Average Difference" C 0 0.000 0.000 0.000 25601 364 1 61 "Average Difference" CA 0 0.000 0.000 0.000 25601 365 1 61 "Average Difference" CB 0 0.000 0.000 0.000 25601 366 1 61 "Average Difference" HN 69 0.436 -0.004 0.439 25601 367 1 62 "Average Difference" N 69 4.521 -1.048 4.430 25601 368 1 62 "Average Difference" HA 0 0.000 0.000 0.000 25601 369 1 62 "Average Difference" C 0 0.000 0.000 0.000 25601 370 1 62 "Average Difference" CA 0 0.000 0.000 0.000 25601 371 1 62 "Average Difference" CB 0 0.000 0.000 0.000 25601 372 1 62 "Average Difference" HN 69 0.441 -0.006 0.444 25601 373 1 63 "Average Difference" N 69 4.412 -0.899 4.352 25601 374 1 63 "Average Difference" HA 0 0.000 0.000 0.000 25601 375 1 63 "Average Difference" C 0 0.000 0.000 0.000 25601 376 1 63 "Average Difference" CA 0 0.000 0.000 0.000 25601 377 1 63 "Average Difference" CB 0 0.000 0.000 0.000 25601 378 1 63 "Average Difference" HN 69 0.444 0.000 0.447 25601 379 1 64 "Average Difference" N 69 4.591 -1.093 4.491 25601 380 1 64 "Average Difference" HA 0 0.000 0.000 0.000 25601 381 1 64 "Average Difference" C 0 0.000 0.000 0.000 25601 382 1 64 "Average Difference" CA 0 0.000 0.000 0.000 25601 383 1 64 "Average Difference" CB 0 0.000 0.000 0.000 25601 384 1 64 "Average Difference" HN 69 0.442 -0.007 0.445 25601 385 1 65 "Average Difference" N 69 4.478 -1.021 4.392 25601 386 1 65 "Average Difference" HA 0 0.000 0.000 0.000 25601 387 1 65 "Average Difference" C 0 0.000 0.000 0.000 25601 388 1 65 "Average Difference" CA 0 0.000 0.000 0.000 25601 389 1 65 "Average Difference" CB 0 0.000 0.000 0.000 25601 390 1 65 "Average Difference" HN 69 0.434 -0.004 0.437 25601 391 1 66 "Average Difference" N 69 4.542 -1.059 4.449 25601 392 1 66 "Average Difference" HA 0 0.000 0.000 0.000 25601 393 1 66 "Average Difference" C 0 0.000 0.000 0.000 25601 394 1 66 "Average Difference" CA 0 0.000 0.000 0.000 25601 395 1 66 "Average Difference" CB 0 0.000 0.000 0.000 25601 396 1 66 "Average Difference" HN 69 0.435 -0.019 0.437 25601 397 1 67 "Average Difference" N 69 4.527 -1.098 4.424 25601 398 1 67 "Average Difference" HA 0 0.000 0.000 0.000 25601 399 1 67 "Average Difference" C 0 0.000 0.000 0.000 25601 400 1 67 "Average Difference" CA 0 0.000 0.000 0.000 25601 401 1 67 "Average Difference" CB 0 0.000 0.000 0.000 25601 402 1 67 "Average Difference" HN 69 0.435 0.012 0.438 25601 403 1 68 "Average Difference" N 69 4.453 -1.055 4.358 25601 404 1 68 "Average Difference" HA 0 0.000 0.000 0.000 25601 405 1 68 "Average Difference" C 0 0.000 0.000 0.000 25601 406 1 68 "Average Difference" CA 0 0.000 0.000 0.000 25601 407 1 68 "Average Difference" CB 0 0.000 0.000 0.000 25601 408 1 68 "Average Difference" HN 69 0.440 -0.012 0.443 25601 409 1 69 "Average Difference" N 69 4.435 -1.001 4.352 25601 410 1 69 "Average Difference" HA 0 0.000 0.000 0.000 25601 411 1 69 "Average Difference" C 0 0.000 0.000 0.000 25601 412 1 69 "Average Difference" CA 0 0.000 0.000 0.000 25601 413 1 69 "Average Difference" CB 0 0.000 0.000 0.000 25601 414 1 69 "Average Difference" HN 69 0.433 -0.003 0.437 25601 415 1 70 "Average Difference" N 69 4.560 -1.014 4.478 25601 416 1 70 "Average Difference" HA 0 0.000 0.000 0.000 25601 417 1 70 "Average Difference" C 0 0.000 0.000 0.000 25601 418 1 70 "Average Difference" CA 0 0.000 0.000 0.000 25601 419 1 70 "Average Difference" CB 0 0.000 0.000 0.000 25601 420 1 70 "Average Difference" HN 69 0.452 -0.006 0.456 25601 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 25601 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN N N 2 123.090 123.090 121.686 1.404 25601 2 1 . 1 1 2 2 GLN H H 2 8.875 8.875 8.432 0.443 25601 3 1 . 1 1 3 3 ILE N N 3 115.317 115.317 120.082 -4.765 25601 4 1 . 1 1 3 3 ILE H H 3 8.336 8.336 8.259 0.077 25601 5 1 . 1 1 4 4 PHE N N 4 118.705 118.705 119.570 -0.865 25601 6 1 . 1 1 4 4 PHE H H 4 8.622 8.622 8.721 -0.099 25601 7 1 . 1 1 5 5 VAL N N 5 121.503 121.503 121.009 0.494 25601 8 1 . 1 1 5 5 VAL H H 5 9.319 9.319 9.004 0.315 25601 9 1 . 1 1 6 6 LYS N N 6 128.142 128.142 127.527 0.615 25601 10 1 . 1 1 6 6 LYS H H 6 9.000 9.000 8.885 0.115 25601 11 1 . 1 1 7 7 THR N N 7 115.457 115.457 117.448 -1.991 25601 12 1 . 1 1 7 7 THR H H 7 8.744 8.744 8.447 0.297 25601 13 1 . 1 1 8 8 LEU N N 8 121.449 121.449 118.604 2.845 25601 14 1 . 1 1 8 8 LEU H H 8 9.117 9.117 9.029 0.088 25601 15 1 . 1 1 9 9 THR N N 9 126.497 126.497 111.333 15.164 25601 16 1 . 1 1 9 9 THR H H 9 7.656 7.656 7.817 -0.161 25601 17 1 . 1 1 10 10 GLY N N 10 109.346 109.346 109.483 -0.137 25601 18 1 . 1 1 10 10 GLY H H 10 7.849 7.849 7.961 -0.112 25601 19 1 . 1 1 11 11 LYS N N 11 122.051 122.051 119.779 2.272 25601 20 1 . 1 1 11 11 LYS H H 11 7.297 7.297 7.936 -0.639 25601 21 1 . 1 1 12 12 THR N N 12 120.723 120.723 115.574 5.149 25601 22 1 . 1 1 12 12 THR H H 12 8.629 8.629 8.333 0.296 25601 23 1 . 1 1 13 13 ILE N N 13 127.909 127.909 123.359 4.550 25601 24 1 . 1 1 13 13 ILE H H 13 9.583 9.583 8.962 0.621 25601 25 1 . 1 1 14 14 THR N N 14 121.861 121.861 119.982 1.879 25601 26 1 . 1 1 14 14 THR H H 14 8.728 8.728 8.348 0.380 25601 27 1 . 1 1 15 15 LEU N N 15 125.293 125.293 123.950 1.343 25601 28 1 . 1 1 15 15 LEU H H 15 8.739 8.739 8.494 0.245 25601 29 1 . 1 1 16 16 GLU N N 16 122.763 122.763 121.274 1.489 25601 30 1 . 1 1 16 16 GLU H H 16 8.139 8.139 8.430 -0.291 25601 31 1 . 1 1 17 17 VAL N N 17 117.729 117.729 120.396 -2.667 25601 32 1 . 1 1 17 17 VAL H H 17 8.944 8.944 8.692 0.252 25601 33 1 . 1 1 18 18 GLU N N 18 119.594 119.594 120.290 -0.696 25601 34 1 . 1 1 18 18 GLU H H 18 8.700 8.700 8.528 0.172 25601 35 1 . 1 1 20 20 SER N N 20 124.154 124.154 111.622 12.532 25601 36 1 . 1 1 20 20 SER H H 20 7.050 7.050 8.339 -1.289 25601 37 1 . 1 1 21 21 ASP N N 21 124.036 124.036 123.081 0.955 25601 38 1 . 1 1 21 21 ASP H H 21 8.070 8.070 7.870 0.200 25601 39 1 . 1 1 22 22 THR N N 22 109.090 109.090 112.975 -3.885 25601 40 1 . 1 1 22 22 THR H H 22 7.886 7.886 8.205 -0.319 25601 41 1 . 1 1 23 23 ILE N N 23 121.455 121.455 121.981 -0.526 25601 42 1 . 1 1 23 23 ILE H H 23 8.536 8.536 8.650 -0.114 25601 43 1 . 1 1 25 25 CYS N N 25 121.510 121.510 117.936 3.574 25601 44 1 . 1 1 25 25 CYS H H 25 7.940 7.940 7.951 -0.011 25601 45 1 . 1 1 26 26 VAL N N 26 122.322 122.322 119.322 3.000 25601 46 1 . 1 1 26 26 VAL H H 26 8.123 8.123 7.939 0.184 25601 47 1 . 1 1 27 27 LYS N N 27 119.098 119.098 117.798 1.300 25601 48 1 . 1 1 27 27 LYS H H 27 8.571 8.571 8.194 0.377 25601 49 1 . 1 1 28 28 ALA N N 28 123.566 123.566 121.658 1.908 25601 50 1 . 1 1 28 28 ALA H H 28 7.998 7.998 7.795 0.203 25601 51 1 . 1 1 29 29 LYS N N 29 120.388 120.388 118.644 1.744 25601 52 1 . 1 1 29 29 LYS H H 29 7.892 7.892 7.800 0.092 25601 53 1 . 1 1 30 30 ILE N N 30 121.472 121.472 119.101 2.371 25601 54 1 . 1 1 30 30 ILE H H 30 8.303 8.303 7.996 0.307 25601 55 1 . 1 1 31 31 GLN N N 31 123.713 123.713 118.191 5.522 25601 56 1 . 1 1 31 31 GLN H H 31 8.569 8.569 8.352 0.217 25601 57 1 . 1 1 32 32 ASP N N 32 119.932 119.932 120.931 -0.999 25601 58 1 . 1 1 32 32 ASP H H 32 8.039 8.039 8.577 -0.538 25601 59 1 . 1 1 33 33 LYS N N 33 115.669 115.669 118.458 -2.789 25601 60 1 . 1 1 33 33 LYS H H 33 7.473 7.473 8.099 -0.626 25601 61 1 . 1 1 34 34 GLU N N 34 114.495 114.495 117.368 -2.873 25601 62 1 . 1 1 34 34 GLU H H 34 8.740 8.740 8.347 0.393 25601 63 1 . 1 1 35 35 GLY N N 35 108.947 108.947 106.917 2.030 25601 64 1 . 1 1 35 35 GLY H H 35 8.502 8.502 8.274 0.228 25601 65 1 . 1 1 36 36 ILE N N 36 120.438 120.438 122.537 -2.099 25601 66 1 . 1 1 36 36 ILE H H 36 6.186 6.186 7.787 -1.601 25601 67 1 . 1 1 39 39 ASP N N 39 113.748 113.748 116.328 -2.580 25601 68 1 . 1 1 39 39 ASP H H 39 8.554 8.554 8.744 -0.190 25601 69 1 . 1 1 40 40 GLN N N 40 117.015 117.015 117.403 -0.388 25601 70 1 . 1 1 40 40 GLN H H 40 7.841 7.841 7.886 -0.045 25601 71 1 . 1 1 41 41 GLN N N 41 118.149 118.149 119.860 -1.711 25601 72 1 . 1 1 41 41 GLN H H 41 7.494 7.494 7.508 -0.014 25601 73 1 . 1 1 42 42 ARG N N 42 123.178 123.178 124.098 -0.920 25601 74 1 . 1 1 42 42 ARG H H 42 8.514 8.514 8.629 -0.115 25601 75 1 . 1 1 43 43 LEU N N 43 124.593 124.593 124.726 -0.133 25601 76 1 . 1 1 43 43 LEU H H 43 8.818 8.818 8.727 0.091 25601 77 1 . 1 1 44 44 ILE N N 44 122.637 122.637 121.400 1.237 25601 78 1 . 1 1 44 44 ILE H H 44 9.155 9.155 8.801 0.354 25601 79 1 . 1 1 45 45 PHE N N 45 125.152 125.152 124.211 0.941 25601 80 1 . 1 1 45 45 PHE H H 45 8.865 8.865 8.593 0.272 25601 81 1 . 1 1 46 46 ALA N N 46 112.473 112.473 127.225 -14.752 25601 82 1 . 1 1 46 46 ALA H H 46 8.986 8.986 8.871 0.115 25601 83 1 . 1 1 47 47 GLY N N 47 123.105 123.105 104.268 18.837 25601 84 1 . 1 1 47 47 GLY H H 47 8.094 8.094 8.436 -0.342 25601 85 1 . 1 1 48 48 CYS N N 48 122.066 122.066 119.611 2.455 25601 86 1 . 1 1 48 48 CYS H H 48 8.001 8.001 7.974 0.027 25601 87 1 . 1 1 49 49 GLN N N 49 123.249 123.249 122.495 0.754 25601 88 1 . 1 1 49 49 GLN H H 49 8.641 8.641 8.585 0.056 25601 89 1 . 1 1 50 50 LEU N N 50 125.854 125.854 123.591 2.263 25601 90 1 . 1 1 50 50 LEU H H 50 8.576 8.576 8.571 0.005 25601 91 1 . 1 1 51 51 GLU N N 51 123.307 123.307 121.197 2.110 25601 92 1 . 1 1 51 51 GLU H H 51 8.391 8.391 8.330 0.061 25601 93 1 . 1 1 52 52 ASP N N 52 120.548 120.548 124.390 -3.842 25601 94 1 . 1 1 52 52 ASP H H 52 8.166 8.166 8.870 -0.704 25601 95 1 . 1 1 54 54 ARG N N 54 119.451 119.451 121.213 -1.762 25601 96 1 . 1 1 54 54 ARG H H 54 7.484 7.484 7.678 -0.194 25601 97 1 . 1 1 55 55 THR N N 55 109.015 109.015 111.882 -2.867 25601 98 1 . 1 1 55 55 THR H H 55 8.854 8.854 7.765 1.089 25601 99 1 . 1 1 56 56 LEU N N 56 118.234 118.234 120.013 -1.779 25601 100 1 . 1 1 56 56 LEU H H 56 8.180 8.180 8.337 -0.157 25601 101 1 . 1 1 57 57 SER N N 57 113.618 113.618 112.771 0.847 25601 102 1 . 1 1 57 57 SER H H 57 8.485 8.485 8.604 -0.119 25601 103 1 . 1 1 58 58 ASP N N 58 124.626 124.626 123.187 1.439 25601 104 1 . 1 1 58 58 ASP H H 58 7.948 7.948 7.985 -0.037 25601 105 1 . 1 1 59 59 TYR N N 59 115.893 115.893 117.818 -1.925 25601 106 1 . 1 1 59 59 TYR H H 59 7.285 7.285 7.626 -0.341 25601 107 1 . 1 1 60 60 ASN N N 60 116.048 116.048 115.853 0.195 25601 108 1 . 1 1 60 60 ASN H H 60 8.169 8.169 7.853 0.316 25601 109 1 . 1 1 61 61 ILE N N 61 119.076 119.076 117.092 1.984 25601 110 1 . 1 1 61 61 ILE H H 61 7.260 7.260 7.745 -0.485 25601 111 1 . 1 1 62 62 GLN N N 62 125.061 125.061 126.595 -1.534 25601 112 1 . 1 1 62 62 GLN H H 62 7.653 7.653 8.718 -1.065 25601 113 1 . 1 1 63 63 LYS N N 63 120.622 120.622 119.961 0.661 25601 114 1 . 1 1 63 63 LYS H H 63 8.479 8.479 8.245 0.234 25601 115 1 . 1 1 64 64 GLU N N 64 115.279 115.279 119.047 -3.768 25601 116 1 . 1 1 64 64 GLU H H 64 9.316 9.316 8.878 0.438 25601 117 1 . 1 1 65 65 SER N N 65 115.102 115.102 114.669 0.433 25601 118 1 . 1 1 65 65 SER H H 65 7.742 7.742 8.117 -0.375 25601 119 1 . 1 1 66 66 THR N N 66 117.565 117.565 115.296 2.269 25601 120 1 . 1 1 66 66 THR H H 66 8.699 8.699 8.151 0.548 25601 121 1 . 1 1 67 67 LEU N N 67 127.940 127.940 123.490 4.450 25601 122 1 . 1 1 67 67 LEU H H 67 9.427 9.427 8.744 0.683 25601 123 1 . 1 1 68 68 HIS N N 68 119.784 119.784 118.742 1.042 25601 124 1 . 1 1 68 68 HIS H H 68 9.241 9.241 8.763 0.478 25601 125 1 . 1 1 69 69 LEU N N 69 124.014 124.014 124.442 -0.428 25601 126 1 . 1 1 69 69 LEU H H 69 8.322 8.322 8.517 -0.195 25601 127 1 . 1 1 70 70 VAL N N 70 127.016 127.016 121.530 5.486 25601 128 1 . 1 1 70 70 VAL H H 70 9.197 9.197 8.858 0.339 25601 129 1 . 1 1 71 71 LEU N N 71 123.344 123.344 123.094 0.250 25601 130 1 . 1 1 71 71 LEU H H 71 8.116 8.116 8.338 -0.222 25601 131 1 . 1 1 72 72 ARG N N 72 123.792 123.792 122.104 1.688 25601 132 1 . 1 1 72 72 ARG H H 72 8.624 8.624 8.706 -0.082 25601 133 1 . 1 1 73 73 LEU N N 73 124.467 124.467 119.073 5.394 25601 134 1 . 1 1 73 73 LEU H H 73 8.352 8.352 8.354 -0.002 25601 135 1 . 1 1 74 74 ARG N N 74 122.301 122.301 120.077 2.224 25601 136 1 . 1 1 74 74 ARG H H 74 8.487 8.487 8.333 0.154 25601 137 1 . 1 1 75 75 GLY N N 75 111.035 111.035 107.760 3.275 25601 138 1 . 1 1 75 75 GLY H H 75 8.568 8.568 8.210 0.358 25601 stop_ save_