data_19447 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19447 _Entry.PDB_ID 2MCN 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 19447 _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 3 3 ASP N N 3 128.606 128.606 122.703 5.903 19447 2 1 1 . 1 1 3 3 ASP H H 3 9.215 9.215 8.004 1.211 19447 3 1 1 . 1 1 4 4 TYR N N 4 120.150 120.150 124.373 -4.223 19447 4 1 1 . 1 1 4 4 TYR H H 4 9.324 9.324 8.044 1.280 19447 5 1 1 . 1 1 5 5 ILE N N 5 119.250 119.250 120.943 -1.693 19447 6 1 1 . 1 1 5 5 ILE H H 5 9.418 9.418 8.836 0.582 19447 7 1 1 . 1 1 6 6 VAL N N 6 126.150 126.150 127.314 -1.164 19447 8 1 1 . 1 1 6 6 VAL H H 6 8.531 8.531 8.372 0.159 19447 9 1 1 . 1 1 7 7 GLU N N 7 129.289 129.289 128.905 0.384 19447 10 1 1 . 1 1 7 7 GLU H H 7 9.240 9.240 8.830 0.410 19447 11 1 1 . 1 1 8 8 TYR N N 8 117.500 117.500 122.420 -4.920 19447 12 1 1 . 1 1 8 8 TYR H H 8 7.725 7.725 7.801 -0.076 19447 13 1 1 . 1 1 9 9 ASP N N 9 118.964 118.964 119.484 -0.520 19447 14 1 1 . 1 1 9 9 ASP H H 9 8.026 8.026 8.571 -0.545 19447 15 1 1 . 1 1 10 10 TYR N N 10 118.310 118.310 123.591 -5.281 19447 16 1 1 . 1 1 10 10 TYR H H 10 8.134 8.134 7.750 0.384 19447 17 1 1 . 1 1 11 11 ASP N N 11 128.419 128.419 124.238 4.181 19447 18 1 1 . 1 1 11 11 ASP H H 11 7.807 7.807 7.627 0.180 19447 19 1 1 . 1 1 12 12 ALA N N 12 123.084 123.084 125.238 -2.154 19447 20 1 1 . 1 1 12 12 ALA H H 12 7.785 7.785 7.913 -0.128 19447 21 1 1 . 1 1 13 13 VAL N N 13 118.591 118.591 119.121 -0.530 19447 22 1 1 . 1 1 13 13 VAL H H 13 8.517 8.517 7.901 0.616 19447 23 1 1 . 1 1 14 14 HIS N N 14 115.145 115.145 118.396 -3.251 19447 24 1 1 . 1 1 14 14 HIS H H 14 7.049 7.049 7.541 -0.492 19447 25 1 1 . 1 1 15 15 ASP N N 15 120.695 120.695 120.450 0.245 19447 26 1 1 . 1 1 15 15 ASP H H 15 8.823 8.823 8.914 -0.091 19447 27 1 1 . 1 1 16 16 ASP N N 16 115.886 115.886 113.894 1.992 19447 28 1 1 . 1 1 16 16 ASP H H 16 8.444 8.444 8.728 -0.284 19447 29 1 1 . 1 1 17 17 GLU N N 17 119.643 119.643 119.902 -0.259 19447 30 1 1 . 1 1 17 17 GLU H H 17 7.762 7.762 7.588 0.174 19447 31 1 1 . 1 1 18 18 LEU N N 18 120.686 120.686 124.176 -3.490 19447 32 1 1 . 1 1 18 18 LEU H H 18 8.924 8.924 8.837 0.087 19447 33 1 1 . 1 1 19 19 THR N N 19 117.228 117.228 120.265 -3.037 19447 34 1 1 . 1 1 19 19 THR H H 19 7.462 7.462 8.446 -0.984 19447 35 1 1 . 1 1 20 20 ILE N N 20 121.475 121.475 124.239 -2.764 19447 36 1 1 . 1 1 20 20 ILE H H 20 9.269 9.269 8.223 1.046 19447 37 1 1 . 1 1 21 21 ARG N N 21 124.941 124.941 123.906 1.035 19447 38 1 1 . 1 1 21 21 ARG H H 21 8.809 8.809 8.497 0.312 19447 39 1 1 . 1 1 22 22 VAL N N 22 118.300 118.300 120.875 -2.575 19447 40 1 1 . 1 1 22 22 VAL H H 22 7.994 7.994 8.499 -0.505 19447 41 1 1 . 1 1 23 23 GLY N N 23 114.572 114.572 116.126 -1.554 19447 42 1 1 . 1 1 23 23 GLY H H 23 8.690 8.690 8.386 0.304 19447 43 1 1 . 1 1 24 24 GLU N N 24 120.005 120.005 123.523 -3.518 19447 44 1 1 . 1 1 24 24 GLU H H 24 8.076 8.076 8.164 -0.088 19447 45 1 1 . 1 1 25 25 ILE N N 25 119.376 119.376 121.147 -1.771 19447 46 1 1 . 1 1 25 25 ILE H H 25 7.972 7.972 8.140 -0.168 19447 47 1 1 . 1 1 26 26 ILE N N 26 128.357 128.357 127.456 0.901 19447 48 1 1 . 1 1 26 26 ILE H H 26 9.321 9.321 8.602 0.719 19447 49 1 1 . 1 1 27 27 ARG N N 27 123.620 123.620 127.931 -4.311 19447 50 1 1 . 1 1 27 27 ARG H H 27 8.655 8.655 8.700 -0.045 19447 51 1 1 . 1 1 28 28 ASN N N 28 117.452 117.452 118.956 -1.504 19447 52 1 1 . 1 1 28 28 ASN H H 28 8.608 8.608 8.877 -0.269 19447 53 1 1 . 1 1 29 29 VAL N N 29 120.580 120.580 120.370 0.210 19447 54 1 1 . 1 1 29 29 VAL H H 29 8.661 8.661 7.870 0.791 19447 55 1 1 . 1 1 30 30 LYS N N 30 127.372 127.372 127.461 -0.089 19447 56 1 1 . 1 1 30 30 LYS H H 30 9.384 9.384 8.827 0.557 19447 57 1 1 . 1 1 31 31 LYS N N 31 121.810 121.810 127.327 -5.517 19447 58 1 1 . 1 1 31 31 LYS H H 31 8.493 8.493 8.609 -0.116 19447 59 1 1 . 1 1 32 32 LEU N N 32 123.341 123.341 127.488 -4.147 19447 60 1 1 . 1 1 32 32 LEU H H 32 7.653 7.653 8.233 -0.581 19447 61 1 1 . 1 1 33 33 GLN N N 33 118.368 118.368 117.249 1.119 19447 62 1 1 . 1 1 33 33 GLN H H 33 8.435 8.435 8.359 0.076 19447 63 1 1 . 1 1 34 34 GLU N N 34 119.345 119.345 118.657 0.688 19447 64 1 1 . 1 1 34 34 GLU H H 34 7.336 7.336 7.840 -0.504 19447 65 1 1 . 1 1 35 35 GLU N N 35 126.251 126.251 126.503 -0.252 19447 66 1 1 . 1 1 35 35 GLU H H 35 8.352 8.352 8.930 -0.578 19447 67 1 1 . 1 1 36 36 GLY N N 36 111.344 111.344 113.068 -1.724 19447 68 1 1 . 1 1 36 36 GLY H H 36 8.510 8.510 8.586 -0.076 19447 69 1 1 . 1 1 37 37 TRP N N 37 119.200 119.200 123.018 -3.818 19447 70 1 1 . 1 1 37 37 TRP H H 37 7.727 7.727 7.811 -0.084 19447 71 1 1 . 1 1 38 38 LEU N N 38 123.025 123.025 122.295 0.730 19447 72 1 1 . 1 1 38 38 LEU H H 38 8.402 8.402 8.407 -0.005 19447 73 1 1 . 1 1 39 39 GLU N N 39 117.576 117.576 120.555 -2.979 19447 74 1 1 . 1 1 39 39 GLU H H 39 8.457 8.457 8.620 -0.163 19447 75 1 1 . 1 1 40 40 GLY N N 40 110.793 110.793 111.726 -0.933 19447 76 1 1 . 1 1 40 40 GLY H H 40 8.765 8.765 8.677 0.088 19447 77 1 1 . 1 1 41 41 GLU N N 41 118.958 118.958 120.365 -1.407 19447 78 1 1 . 1 1 41 41 GLU H H 41 9.039 9.039 8.419 0.620 19447 79 1 1 . 1 1 42 42 LEU N N 42 127.681 127.681 125.285 2.396 19447 80 1 1 . 1 1 42 42 LEU H H 42 9.032 9.032 8.979 0.053 19447 81 1 1 . 1 1 43 43 ASN N N 43 126.687 126.687 124.280 2.407 19447 82 1 1 . 1 1 43 43 ASN H H 43 9.582 9.582 9.432 0.150 19447 83 1 1 . 1 1 44 44 GLY N N 44 104.039 104.039 104.377 -0.338 19447 84 1 1 . 1 1 44 44 GLY H H 44 8.984 8.984 8.515 0.469 19447 85 1 1 . 1 1 45 45 ARG N N 45 120.104 120.104 121.429 -1.325 19447 86 1 1 . 1 1 45 45 ARG H H 45 7.714 7.714 7.784 -0.070 19447 87 1 1 . 1 1 46 46 ARG N N 46 121.840 121.840 127.628 -5.788 19447 88 1 1 . 1 1 46 46 ARG H H 46 8.565 8.565 8.721 -0.156 19447 89 1 1 . 1 1 47 47 GLY N N 47 109.692 109.692 111.090 -1.398 19447 90 1 1 . 1 1 47 47 GLY H H 47 8.662 8.662 8.787 -0.125 19447 91 1 1 . 1 1 48 48 MET N N 48 117.200 117.200 117.543 -0.343 19447 92 1 1 . 1 1 48 48 MET H H 48 8.861 8.861 8.884 -0.023 19447 93 1 1 . 1 1 49 49 PHE N N 49 116.718 116.718 115.147 1.571 19447 94 1 1 . 1 1 49 49 PHE H H 49 8.829 8.829 8.583 0.246 19447 95 1 1 . 1 1 51 51 ASP N N 51 120.485 120.485 121.691 -1.206 19447 96 1 1 . 1 1 51 51 ASP H H 51 8.176 8.176 7.906 0.270 19447 97 1 1 . 1 1 52 52 ASN N N 52 110.040 110.040 115.912 -5.872 19447 98 1 1 . 1 1 52 52 ASN H H 52 8.721 8.721 8.152 0.569 19447 99 1 1 . 1 1 53 53 PHE N N 53 117.961 117.961 113.549 4.412 19447 100 1 1 . 1 1 53 53 PHE H H 53 7.536 7.536 7.225 0.311 19447 101 1 1 . 1 1 54 54 VAL N N 54 109.981 109.981 119.894 -9.913 19447 102 1 1 . 1 1 54 54 VAL H H 54 7.464 7.464 7.496 -0.032 19447 103 1 1 . 1 1 55 55 LYS N N 55 120.357 120.357 127.929 -7.572 19447 104 1 1 . 1 1 55 55 LYS H H 55 9.156 9.156 8.864 0.292 19447 105 1 1 . 1 1 56 56 GLU N N 56 128.689 128.689 127.848 0.841 19447 106 1 1 . 1 1 56 56 GLU H H 56 8.677 8.677 8.617 0.060 19447 107 1 1 . 1 1 57 57 ILE N N 57 127.140 127.140 127.944 -0.804 19447 108 1 1 . 1 1 57 57 ILE H H 57 8.440 8.440 8.039 0.401 19447 109 1 2 . 1 1 3 3 ASP N N 3 128.606 128.606 121.074 7.532 19447 110 1 2 . 1 1 3 3 ASP H H 3 9.215 9.215 8.600 0.615 19447 111 1 2 . 1 1 4 4 TYR N N 4 120.150 120.150 119.066 1.084 19447 112 1 2 . 1 1 4 4 TYR H H 4 9.324 9.324 8.508 0.816 19447 113 1 2 . 1 1 5 5 ILE N N 5 119.250 119.250 120.461 -1.211 19447 114 1 2 . 1 1 5 5 ILE H H 5 9.418 9.418 9.077 0.341 19447 115 1 2 . 1 1 6 6 VAL N N 6 126.150 126.150 123.272 2.878 19447 116 1 2 . 1 1 6 6 VAL H H 6 8.531 8.531 8.634 -0.103 19447 117 1 2 . 1 1 7 7 GLU N N 7 129.289 129.289 129.521 -0.232 19447 118 1 2 . 1 1 7 7 GLU H H 7 9.240 9.240 8.634 0.606 19447 119 1 2 . 1 1 8 8 TYR N N 8 117.500 117.500 124.374 -6.874 19447 120 1 2 . 1 1 8 8 TYR H H 8 7.725 7.725 7.809 -0.084 19447 121 1 2 . 1 1 9 9 ASP N N 9 118.964 118.964 120.667 -1.703 19447 122 1 2 . 1 1 9 9 ASP H H 9 8.026 8.026 8.219 -0.193 19447 123 1 2 . 1 1 10 10 TYR N N 10 118.310 118.310 123.453 -5.143 19447 124 1 2 . 1 1 10 10 TYR H H 10 8.134 8.134 7.911 0.223 19447 125 1 2 . 1 1 11 11 ASP N N 11 128.419 128.419 120.716 7.703 19447 126 1 2 . 1 1 11 11 ASP H H 11 7.807 7.807 8.119 -0.312 19447 127 1 2 . 1 1 12 12 ALA N N 12 123.084 123.084 123.960 -0.876 19447 128 1 2 . 1 1 12 12 ALA H H 12 7.785 7.785 8.278 -0.493 19447 129 1 2 . 1 1 13 13 VAL N N 13 118.591 118.591 123.444 -4.853 19447 130 1 2 . 1 1 13 13 VAL H H 13 8.517 8.517 8.582 -0.065 19447 131 1 2 . 1 1 14 14 HIS N N 14 115.145 115.145 117.783 -2.638 19447 132 1 2 . 1 1 14 14 HIS H H 14 7.049 7.049 7.819 -0.770 19447 133 1 2 . 1 1 15 15 ASP N N 15 120.695 120.695 120.637 0.058 19447 134 1 2 . 1 1 15 15 ASP H H 15 8.823 8.823 7.981 0.842 19447 135 1 2 . 1 1 16 16 ASP N N 16 115.886 115.886 116.469 -0.583 19447 136 1 2 . 1 1 16 16 ASP H H 16 8.444 8.444 8.050 0.394 19447 137 1 2 . 1 1 17 17 GLU N N 17 119.643 119.643 118.999 0.644 19447 138 1 2 . 1 1 17 17 GLU H H 17 7.762 7.762 7.398 0.364 19447 139 1 2 . 1 1 18 18 LEU N N 18 120.686 120.686 125.418 -4.732 19447 140 1 2 . 1 1 18 18 LEU H H 18 8.924 8.924 9.075 -0.151 19447 141 1 2 . 1 1 19 19 THR N N 19 117.228 117.228 119.286 -2.058 19447 142 1 2 . 1 1 19 19 THR H H 19 7.462 7.462 8.384 -0.922 19447 143 1 2 . 1 1 20 20 ILE N N 20 121.475 121.475 124.685 -3.210 19447 144 1 2 . 1 1 20 20 ILE H H 20 9.269 9.269 7.975 1.294 19447 145 1 2 . 1 1 21 21 ARG N N 21 124.941 124.941 123.699 1.242 19447 146 1 2 . 1 1 21 21 ARG H H 21 8.809 8.809 8.519 0.290 19447 147 1 2 . 1 1 22 22 VAL N N 22 118.300 118.300 119.101 -0.801 19447 148 1 2 . 1 1 22 22 VAL H H 22 7.994 7.994 8.243 -0.249 19447 149 1 2 . 1 1 23 23 GLY N N 23 114.572 114.572 114.917 -0.345 19447 150 1 2 . 1 1 23 23 GLY H H 23 8.690 8.690 8.392 0.298 19447 151 1 2 . 1 1 24 24 GLU N N 24 120.005 120.005 122.979 -2.974 19447 152 1 2 . 1 1 24 24 GLU H H 24 8.076 8.076 8.261 -0.185 19447 153 1 2 . 1 1 25 25 ILE N N 25 119.376 119.376 121.034 -1.658 19447 154 1 2 . 1 1 25 25 ILE H H 25 7.972 7.972 8.218 -0.246 19447 155 1 2 . 1 1 26 26 ILE N N 26 128.357 128.357 126.253 2.104 19447 156 1 2 . 1 1 26 26 ILE H H 26 9.321 9.321 8.472 0.849 19447 157 1 2 . 1 1 27 27 ARG N N 27 123.620 123.620 127.584 -3.964 19447 158 1 2 . 1 1 27 27 ARG H H 27 8.655 8.655 9.007 -0.352 19447 159 1 2 . 1 1 28 28 ASN N N 28 117.452 117.452 119.707 -2.255 19447 160 1 2 . 1 1 28 28 ASN H H 28 8.608 8.608 8.733 -0.125 19447 161 1 2 . 1 1 29 29 VAL N N 29 120.580 120.580 118.840 1.740 19447 162 1 2 . 1 1 29 29 VAL H H 29 8.661 8.661 8.479 0.182 19447 163 1 2 . 1 1 30 30 LYS N N 30 127.372 127.372 128.048 -0.676 19447 164 1 2 . 1 1 30 30 LYS H H 30 9.384 9.384 8.975 0.409 19447 165 1 2 . 1 1 31 31 LYS N N 31 121.810 121.810 122.515 -0.705 19447 166 1 2 . 1 1 31 31 LYS H H 31 8.493 8.493 8.556 -0.063 19447 167 1 2 . 1 1 32 32 LEU N N 32 123.341 123.341 126.629 -3.288 19447 168 1 2 . 1 1 32 32 LEU H H 32 7.653 7.653 8.004 -0.351 19447 169 1 2 . 1 1 33 33 GLN N N 33 118.368 118.368 118.854 -0.486 19447 170 1 2 . 1 1 33 33 GLN H H 33 8.435 8.435 8.576 -0.141 19447 171 1 2 . 1 1 34 34 GLU N N 34 119.345 119.345 119.725 -0.380 19447 172 1 2 . 1 1 34 34 GLU H H 34 7.336 7.336 8.033 -0.697 19447 173 1 2 . 1 1 35 35 GLU N N 35 126.251 126.251 126.225 0.026 19447 174 1 2 . 1 1 35 35 GLU H H 35 8.352 8.352 8.872 -0.520 19447 175 1 2 . 1 1 36 36 GLY N N 36 111.344 111.344 114.317 -2.973 19447 176 1 2 . 1 1 36 36 GLY H H 36 8.510 8.510 8.849 -0.339 19447 177 1 2 . 1 1 37 37 TRP N N 37 119.200 119.200 121.553 -2.353 19447 178 1 2 . 1 1 37 37 TRP H H 37 7.727 7.727 7.826 -0.099 19447 179 1 2 . 1 1 38 38 LEU N N 38 123.025 123.025 123.851 -0.826 19447 180 1 2 . 1 1 38 38 LEU H H 38 8.402 8.402 8.692 -0.290 19447 181 1 2 . 1 1 39 39 GLU N N 39 117.576 117.576 119.856 -2.280 19447 182 1 2 . 1 1 39 39 GLU H H 39 8.457 8.457 8.694 -0.237 19447 183 1 2 . 1 1 40 40 GLY N N 40 110.793 110.793 111.797 -1.004 19447 184 1 2 . 1 1 40 40 GLY H H 40 8.765 8.765 8.409 0.356 19447 185 1 2 . 1 1 41 41 GLU N N 41 118.958 118.958 119.398 -0.440 19447 186 1 2 . 1 1 41 41 GLU H H 41 9.039 9.039 8.784 0.255 19447 187 1 2 . 1 1 42 42 LEU N N 42 127.681 127.681 126.098 1.583 19447 188 1 2 . 1 1 42 42 LEU H H 42 9.032 9.032 8.853 0.179 19447 189 1 2 . 1 1 43 43 ASN N N 43 126.687 126.687 124.539 2.148 19447 190 1 2 . 1 1 43 43 ASN H H 43 9.582 9.582 9.308 0.274 19447 191 1 2 . 1 1 44 44 GLY N N 44 104.039 104.039 103.792 0.247 19447 192 1 2 . 1 1 44 44 GLY H H 44 8.984 8.984 8.576 0.408 19447 193 1 2 . 1 1 45 45 ARG N N 45 120.104 120.104 119.968 0.136 19447 194 1 2 . 1 1 45 45 ARG H H 45 7.714 7.714 7.751 -0.037 19447 195 1 2 . 1 1 46 46 ARG N N 46 121.840 121.840 125.355 -3.515 19447 196 1 2 . 1 1 46 46 ARG H H 46 8.565 8.565 8.825 -0.260 19447 197 1 2 . 1 1 47 47 GLY N N 47 109.692 109.692 110.515 -0.823 19447 198 1 2 . 1 1 47 47 GLY H H 47 8.662 8.662 8.851 -0.189 19447 199 1 2 . 1 1 48 48 MET N N 48 117.200 117.200 119.655 -2.455 19447 200 1 2 . 1 1 48 48 MET H H 48 8.861 8.861 8.769 0.092 19447 201 1 2 . 1 1 49 49 PHE N N 49 116.718 116.718 116.853 -0.135 19447 202 1 2 . 1 1 49 49 PHE H H 49 8.829 8.829 8.623 0.206 19447 203 1 2 . 1 1 51 51 ASP N N 51 120.485 120.485 124.728 -4.243 19447 204 1 2 . 1 1 51 51 ASP H H 51 8.176 8.176 8.382 -0.206 19447 205 1 2 . 1 1 52 52 ASN N N 52 110.040 110.040 115.728 -5.688 19447 206 1 2 . 1 1 52 52 ASN H H 52 8.721 8.721 8.447 0.274 19447 207 1 2 . 1 1 53 53 PHE N N 53 117.961 117.961 114.553 3.408 19447 208 1 2 . 1 1 53 53 PHE H H 53 7.536 7.536 7.222 0.314 19447 209 1 2 . 1 1 54 54 VAL N N 54 109.981 109.981 114.274 -4.293 19447 210 1 2 . 1 1 54 54 VAL H H 54 7.464 7.464 7.648 -0.184 19447 211 1 2 . 1 1 55 55 LYS N N 55 120.357 120.357 123.927 -3.570 19447 212 1 2 . 1 1 55 55 LYS H H 55 9.156 9.156 8.879 0.277 19447 213 1 2 . 1 1 56 56 GLU N N 56 128.689 128.689 125.423 3.266 19447 214 1 2 . 1 1 56 56 GLU H H 56 8.677 8.677 8.668 0.009 19447 215 1 2 . 1 1 57 57 ILE N N 57 127.140 127.140 127.360 -0.220 19447 216 1 2 . 1 1 57 57 ILE H H 57 8.440 8.440 7.345 1.095 19447 217 1 3 . 1 1 3 3 ASP N N 3 128.606 128.606 121.715 6.891 19447 218 1 3 . 1 1 3 3 ASP H H 3 9.215 9.215 8.255 0.960 19447 219 1 3 . 1 1 4 4 TYR N N 4 120.150 120.150 119.380 0.770 19447 220 1 3 . 1 1 4 4 TYR H H 4 9.324 9.324 8.191 1.133 19447 221 1 3 . 1 1 5 5 ILE N N 5 119.250 119.250 120.340 -1.090 19447 222 1 3 . 1 1 5 5 ILE H H 5 9.418 9.418 8.997 0.421 19447 223 1 3 . 1 1 6 6 VAL N N 6 126.150 126.150 128.883 -2.733 19447 224 1 3 . 1 1 6 6 VAL H H 6 8.531 8.531 8.355 0.176 19447 225 1 3 . 1 1 7 7 GLU N N 7 129.289 129.289 129.342 -0.053 19447 226 1 3 . 1 1 7 7 GLU H H 7 9.240 9.240 8.615 0.625 19447 227 1 3 . 1 1 8 8 TYR N N 8 117.500 117.500 123.767 -6.267 19447 228 1 3 . 1 1 8 8 TYR H H 8 7.725 7.725 7.668 0.057 19447 229 1 3 . 1 1 9 9 ASP N N 9 118.964 118.964 120.095 -1.131 19447 230 1 3 . 1 1 9 9 ASP H H 9 8.026 8.026 7.736 0.290 19447 231 1 3 . 1 1 10 10 TYR N N 10 118.310 118.310 124.237 -5.927 19447 232 1 3 . 1 1 10 10 TYR H H 10 8.134 8.134 8.493 -0.359 19447 233 1 3 . 1 1 11 11 ASP N N 11 128.419 128.419 123.190 5.229 19447 234 1 3 . 1 1 11 11 ASP H H 11 7.807 7.807 7.790 0.017 19447 235 1 3 . 1 1 12 12 ALA N N 12 123.084 123.084 124.424 -1.340 19447 236 1 3 . 1 1 12 12 ALA H H 12 7.785 7.785 8.437 -0.652 19447 237 1 3 . 1 1 13 13 VAL N N 13 118.591 118.591 122.857 -4.266 19447 238 1 3 . 1 1 13 13 VAL H H 13 8.517 8.517 8.680 -0.163 19447 239 1 3 . 1 1 14 14 HIS N N 14 115.145 115.145 116.067 -0.922 19447 240 1 3 . 1 1 14 14 HIS H H 14 7.049 7.049 7.874 -0.825 19447 241 1 3 . 1 1 15 15 ASP N N 15 120.695 120.695 121.836 -1.141 19447 242 1 3 . 1 1 15 15 ASP H H 15 8.823 8.823 8.898 -0.075 19447 243 1 3 . 1 1 16 16 ASP N N 16 115.886 115.886 116.283 -0.397 19447 244 1 3 . 1 1 16 16 ASP H H 16 8.444 8.444 8.660 -0.216 19447 245 1 3 . 1 1 17 17 GLU N N 17 119.643 119.643 119.160 0.483 19447 246 1 3 . 1 1 17 17 GLU H H 17 7.762 7.762 7.530 0.232 19447 247 1 3 . 1 1 18 18 LEU N N 18 120.686 120.686 123.923 -3.237 19447 248 1 3 . 1 1 18 18 LEU H H 18 8.924 8.924 9.041 -0.117 19447 249 1 3 . 1 1 19 19 THR N N 19 117.228 117.228 116.223 1.005 19447 250 1 3 . 1 1 19 19 THR H H 19 7.462 7.462 8.398 -0.936 19447 251 1 3 . 1 1 20 20 ILE N N 20 121.475 121.475 120.783 0.692 19447 252 1 3 . 1 1 20 20 ILE H H 20 9.269 9.269 8.312 0.957 19447 253 1 3 . 1 1 21 21 ARG N N 21 124.941 124.941 126.402 -1.461 19447 254 1 3 . 1 1 21 21 ARG H H 21 8.809 8.809 8.581 0.228 19447 255 1 3 . 1 1 22 22 VAL N N 22 118.300 118.300 119.815 -1.515 19447 256 1 3 . 1 1 22 22 VAL H H 22 7.994 7.994 8.214 -0.220 19447 257 1 3 . 1 1 23 23 GLY N N 23 114.572 114.572 114.575 -0.003 19447 258 1 3 . 1 1 23 23 GLY H H 23 8.690 8.690 8.617 0.073 19447 259 1 3 . 1 1 24 24 GLU N N 24 120.005 120.005 123.117 -3.112 19447 260 1 3 . 1 1 24 24 GLU H H 24 8.076 8.076 8.251 -0.175 19447 261 1 3 . 1 1 25 25 ILE N N 25 119.376 119.376 120.860 -1.484 19447 262 1 3 . 1 1 25 25 ILE H H 25 7.972 7.972 8.105 -0.133 19447 263 1 3 . 1 1 26 26 ILE N N 26 128.357 128.357 125.366 2.991 19447 264 1 3 . 1 1 26 26 ILE H H 26 9.321 9.321 8.475 0.846 19447 265 1 3 . 1 1 27 27 ARG N N 27 123.620 123.620 127.797 -4.177 19447 266 1 3 . 1 1 27 27 ARG H H 27 8.655 8.655 8.831 -0.176 19447 267 1 3 . 1 1 28 28 ASN N N 28 117.452 117.452 116.266 1.186 19447 268 1 3 . 1 1 28 28 ASN H H 28 8.608 8.608 8.795 -0.187 19447 269 1 3 . 1 1 29 29 VAL N N 29 120.580 120.580 118.842 1.738 19447 270 1 3 . 1 1 29 29 VAL H H 29 8.661 8.661 7.589 1.072 19447 271 1 3 . 1 1 30 30 LYS N N 30 127.372 127.372 126.404 0.968 19447 272 1 3 . 1 1 30 30 LYS H H 30 9.384 9.384 8.976 0.408 19447 273 1 3 . 1 1 31 31 LYS N N 31 121.810 121.810 123.611 -1.801 19447 274 1 3 . 1 1 31 31 LYS H H 31 8.493 8.493 8.767 -0.274 19447 275 1 3 . 1 1 32 32 LEU N N 32 123.341 123.341 126.682 -3.341 19447 276 1 3 . 1 1 32 32 LEU H H 32 7.653 7.653 7.931 -0.278 19447 277 1 3 . 1 1 33 33 GLN N N 33 118.368 118.368 118.404 -0.036 19447 278 1 3 . 1 1 33 33 GLN H H 33 8.435 8.435 8.582 -0.147 19447 279 1 3 . 1 1 34 34 GLU N N 34 119.345 119.345 119.446 -0.101 19447 280 1 3 . 1 1 34 34 GLU H H 34 7.336 7.336 8.028 -0.692 19447 281 1 3 . 1 1 35 35 GLU N N 35 126.251 126.251 126.396 -0.145 19447 282 1 3 . 1 1 35 35 GLU H H 35 8.352 8.352 9.049 -0.697 19447 283 1 3 . 1 1 36 36 GLY N N 36 111.344 111.344 112.115 -0.771 19447 284 1 3 . 1 1 36 36 GLY H H 36 8.510 8.510 8.470 0.040 19447 285 1 3 . 1 1 37 37 TRP N N 37 119.200 119.200 120.409 -1.209 19447 286 1 3 . 1 1 37 37 TRP H H 37 7.727 7.727 7.743 -0.016 19447 287 1 3 . 1 1 38 38 LEU N N 38 123.025 123.025 122.358 0.667 19447 288 1 3 . 1 1 38 38 LEU H H 38 8.402 8.402 8.727 -0.325 19447 289 1 3 . 1 1 39 39 GLU N N 39 117.576 117.576 120.795 -3.219 19447 290 1 3 . 1 1 39 39 GLU H H 39 8.457 8.457 8.462 -0.005 19447 291 1 3 . 1 1 40 40 GLY N N 40 110.793 110.793 111.805 -1.012 19447 292 1 3 . 1 1 40 40 GLY H H 40 8.765 8.765 8.365 0.400 19447 293 1 3 . 1 1 41 41 GLU N N 41 118.958 118.958 120.636 -1.678 19447 294 1 3 . 1 1 41 41 GLU H H 41 9.039 9.039 8.539 0.500 19447 295 1 3 . 1 1 42 42 LEU N N 42 127.681 127.681 128.346 -0.665 19447 296 1 3 . 1 1 42 42 LEU H H 42 9.032 9.032 8.952 0.080 19447 297 1 3 . 1 1 43 43 ASN N N 43 126.687 126.687 124.537 2.150 19447 298 1 3 . 1 1 43 43 ASN H H 43 9.582 9.582 9.185 0.397 19447 299 1 3 . 1 1 44 44 GLY N N 44 104.039 104.039 103.170 0.869 19447 300 1 3 . 1 1 44 44 GLY H H 44 8.984 8.984 8.587 0.397 19447 301 1 3 . 1 1 45 45 ARG N N 45 120.104 120.104 119.842 0.262 19447 302 1 3 . 1 1 45 45 ARG H H 45 7.714 7.714 7.703 0.011 19447 303 1 3 . 1 1 46 46 ARG N N 46 121.840 121.840 125.686 -3.846 19447 304 1 3 . 1 1 46 46 ARG H H 46 8.565 8.565 8.869 -0.304 19447 305 1 3 . 1 1 47 47 GLY N N 47 109.692 109.692 110.854 -1.162 19447 306 1 3 . 1 1 47 47 GLY H H 47 8.662 8.662 8.851 -0.189 19447 307 1 3 . 1 1 48 48 MET N N 48 117.200 117.200 119.650 -2.450 19447 308 1 3 . 1 1 48 48 MET H H 48 8.861 8.861 8.786 0.075 19447 309 1 3 . 1 1 49 49 PHE N N 49 116.718 116.718 116.294 0.424 19447 310 1 3 . 1 1 49 49 PHE H H 49 8.829 8.829 8.895 -0.066 19447 311 1 3 . 1 1 51 51 ASP N N 51 120.485 120.485 122.964 -2.479 19447 312 1 3 . 1 1 51 51 ASP H H 51 8.176 8.176 8.078 0.098 19447 313 1 3 . 1 1 52 52 ASN N N 52 110.040 110.040 115.159 -5.119 19447 314 1 3 . 1 1 52 52 ASN H H 52 8.721 8.721 8.120 0.601 19447 315 1 3 . 1 1 53 53 PHE N N 53 117.961 117.961 116.062 1.899 19447 316 1 3 . 1 1 53 53 PHE H H 53 7.536 7.536 7.069 0.467 19447 317 1 3 . 1 1 54 54 VAL N N 54 109.981 109.981 119.040 -9.059 19447 318 1 3 . 1 1 54 54 VAL H H 54 7.464 7.464 7.451 0.013 19447 319 1 3 . 1 1 55 55 LYS N N 55 120.357 120.357 127.259 -6.902 19447 320 1 3 . 1 1 55 55 LYS H H 55 9.156 9.156 8.839 0.317 19447 321 1 3 . 1 1 56 56 GLU N N 56 128.689 128.689 124.482 4.207 19447 322 1 3 . 1 1 56 56 GLU H H 56 8.677 8.677 8.530 0.147 19447 323 1 3 . 1 1 57 57 ILE N N 57 127.140 127.140 125.151 1.989 19447 324 1 3 . 1 1 57 57 ILE H H 57 8.440 8.440 8.207 0.233 19447 325 1 4 . 1 1 3 3 ASP N N 3 128.606 128.606 122.563 6.043 19447 326 1 4 . 1 1 3 3 ASP H H 3 9.215 9.215 8.024 1.191 19447 327 1 4 . 1 1 4 4 TYR N N 4 120.150 120.150 121.146 -0.996 19447 328 1 4 . 1 1 4 4 TYR H H 4 9.324 9.324 8.291 1.033 19447 329 1 4 . 1 1 5 5 ILE N N 5 119.250 119.250 121.527 -2.277 19447 330 1 4 . 1 1 5 5 ILE H H 5 9.418 9.418 8.906 0.512 19447 331 1 4 . 1 1 6 6 VAL N N 6 126.150 126.150 127.215 -1.065 19447 332 1 4 . 1 1 6 6 VAL H H 6 8.531 8.531 8.965 -0.434 19447 333 1 4 . 1 1 7 7 GLU N N 7 129.289 129.289 127.772 1.517 19447 334 1 4 . 1 1 7 7 GLU H H 7 9.240 9.240 8.583 0.657 19447 335 1 4 . 1 1 8 8 TYR N N 8 117.500 117.500 122.135 -4.635 19447 336 1 4 . 1 1 8 8 TYR H H 8 7.725 7.725 7.727 -0.002 19447 337 1 4 . 1 1 9 9 ASP N N 9 118.964 118.964 120.091 -1.127 19447 338 1 4 . 1 1 9 9 ASP H H 9 8.026 8.026 8.512 -0.486 19447 339 1 4 . 1 1 10 10 TYR N N 10 118.310 118.310 121.879 -3.569 19447 340 1 4 . 1 1 10 10 TYR H H 10 8.134 8.134 7.543 0.591 19447 341 1 4 . 1 1 11 11 ASP N N 11 128.419 128.419 126.301 2.118 19447 342 1 4 . 1 1 11 11 ASP H H 11 7.807 7.807 7.726 0.081 19447 343 1 4 . 1 1 12 12 ALA N N 12 123.084 123.084 125.941 -2.857 19447 344 1 4 . 1 1 12 12 ALA H H 12 7.785 7.785 8.214 -0.429 19447 345 1 4 . 1 1 13 13 VAL N N 13 118.591 118.591 122.035 -3.444 19447 346 1 4 . 1 1 13 13 VAL H H 13 8.517 8.517 8.419 0.098 19447 347 1 4 . 1 1 14 14 HIS N N 14 115.145 115.145 118.400 -3.255 19447 348 1 4 . 1 1 14 14 HIS H H 14 7.049 7.049 7.616 -0.567 19447 349 1 4 . 1 1 15 15 ASP N N 15 120.695 120.695 121.750 -1.055 19447 350 1 4 . 1 1 15 15 ASP H H 15 8.823 8.823 8.346 0.477 19447 351 1 4 . 1 1 16 16 ASP N N 16 115.886 115.886 117.016 -1.130 19447 352 1 4 . 1 1 16 16 ASP H H 16 8.444 8.444 8.161 0.283 19447 353 1 4 . 1 1 17 17 GLU N N 17 119.643 119.643 118.931 0.712 19447 354 1 4 . 1 1 17 17 GLU H H 17 7.762 7.762 7.569 0.193 19447 355 1 4 . 1 1 18 18 LEU N N 18 120.686 120.686 125.912 -5.226 19447 356 1 4 . 1 1 18 18 LEU H H 18 8.924 8.924 8.867 0.057 19447 357 1 4 . 1 1 19 19 THR N N 19 117.228 117.228 120.637 -3.409 19447 358 1 4 . 1 1 19 19 THR H H 19 7.462 7.462 8.362 -0.900 19447 359 1 4 . 1 1 20 20 ILE N N 20 121.475 121.475 122.662 -1.187 19447 360 1 4 . 1 1 20 20 ILE H H 20 9.269 9.269 8.480 0.789 19447 361 1 4 . 1 1 21 21 ARG N N 21 124.941 124.941 125.760 -0.819 19447 362 1 4 . 1 1 21 21 ARG H H 21 8.809 8.809 8.504 0.305 19447 363 1 4 . 1 1 22 22 VAL N N 22 118.300 118.300 120.790 -2.490 19447 364 1 4 . 1 1 22 22 VAL H H 22 7.994 7.994 8.435 -0.441 19447 365 1 4 . 1 1 23 23 GLY N N 23 114.572 114.572 116.094 -1.522 19447 366 1 4 . 1 1 23 23 GLY H H 23 8.690 8.690 8.974 -0.284 19447 367 1 4 . 1 1 24 24 GLU N N 24 120.005 120.005 121.377 -1.372 19447 368 1 4 . 1 1 24 24 GLU H H 24 8.076 8.076 8.261 -0.185 19447 369 1 4 . 1 1 25 25 ILE N N 25 119.376 119.376 118.406 0.970 19447 370 1 4 . 1 1 25 25 ILE H H 25 7.972 7.972 8.155 -0.183 19447 371 1 4 . 1 1 26 26 ILE N N 26 128.357 128.357 121.909 6.448 19447 372 1 4 . 1 1 26 26 ILE H H 26 9.321 9.321 8.473 0.848 19447 373 1 4 . 1 1 27 27 ARG N N 27 123.620 123.620 126.758 -3.138 19447 374 1 4 . 1 1 27 27 ARG H H 27 8.655 8.655 8.833 -0.178 19447 375 1 4 . 1 1 28 28 ASN N N 28 117.452 117.452 118.958 -1.506 19447 376 1 4 . 1 1 28 28 ASN H H 28 8.608 8.608 8.613 -0.005 19447 377 1 4 . 1 1 29 29 VAL N N 29 120.580 120.580 114.305 6.275 19447 378 1 4 . 1 1 29 29 VAL H H 29 8.661 8.661 7.298 1.363 19447 379 1 4 . 1 1 30 30 LYS N N 30 127.372 127.372 128.474 -1.102 19447 380 1 4 . 1 1 30 30 LYS H H 30 9.384 9.384 8.923 0.461 19447 381 1 4 . 1 1 31 31 LYS N N 31 121.810 121.810 126.364 -4.554 19447 382 1 4 . 1 1 31 31 LYS H H 31 8.493 8.493 8.697 -0.204 19447 383 1 4 . 1 1 32 32 LEU N N 32 123.341 123.341 126.803 -3.462 19447 384 1 4 . 1 1 32 32 LEU H H 32 7.653 7.653 8.093 -0.440 19447 385 1 4 . 1 1 33 33 GLN N N 33 118.368 118.368 118.160 0.208 19447 386 1 4 . 1 1 33 33 GLN H H 33 8.435 8.435 8.418 0.017 19447 387 1 4 . 1 1 34 34 GLU N N 34 119.345 119.345 118.653 0.692 19447 388 1 4 . 1 1 34 34 GLU H H 34 7.336 7.336 7.738 -0.402 19447 389 1 4 . 1 1 35 35 GLU N N 35 126.251 126.251 125.231 1.020 19447 390 1 4 . 1 1 35 35 GLU H H 35 8.352 8.352 8.846 -0.494 19447 391 1 4 . 1 1 36 36 GLY N N 36 111.344 111.344 112.985 -1.641 19447 392 1 4 . 1 1 36 36 GLY H H 36 8.510 8.510 8.691 -0.181 19447 393 1 4 . 1 1 37 37 TRP N N 37 119.200 119.200 120.747 -1.547 19447 394 1 4 . 1 1 37 37 TRP H H 37 7.727 7.727 7.884 -0.157 19447 395 1 4 . 1 1 38 38 LEU N N 38 123.025 123.025 121.990 1.035 19447 396 1 4 . 1 1 38 38 LEU H H 38 8.402 8.402 8.278 0.124 19447 397 1 4 . 1 1 39 39 GLU N N 39 117.576 117.576 121.887 -4.311 19447 398 1 4 . 1 1 39 39 GLU H H 39 8.457 8.457 8.335 0.122 19447 399 1 4 . 1 1 40 40 GLY N N 40 110.793 110.793 111.542 -0.749 19447 400 1 4 . 1 1 40 40 GLY H H 40 8.765 8.765 8.477 0.288 19447 401 1 4 . 1 1 41 41 GLU N N 41 118.958 118.958 120.574 -1.616 19447 402 1 4 . 1 1 41 41 GLU H H 41 9.039 9.039 8.323 0.716 19447 403 1 4 . 1 1 42 42 LEU N N 42 127.681 127.681 124.612 3.069 19447 404 1 4 . 1 1 42 42 LEU H H 42 9.032 9.032 8.651 0.381 19447 405 1 4 . 1 1 43 43 ASN N N 43 126.687 126.687 122.215 4.472 19447 406 1 4 . 1 1 43 43 ASN H H 43 9.582 9.582 9.228 0.354 19447 407 1 4 . 1 1 44 44 GLY N N 44 104.039 104.039 102.557 1.482 19447 408 1 4 . 1 1 44 44 GLY H H 44 8.984 8.984 8.664 0.320 19447 409 1 4 . 1 1 45 45 ARG N N 45 120.104 120.104 118.553 1.551 19447 410 1 4 . 1 1 45 45 ARG H H 45 7.714 7.714 7.743 -0.029 19447 411 1 4 . 1 1 46 46 ARG N N 46 121.840 121.840 125.969 -4.129 19447 412 1 4 . 1 1 46 46 ARG H H 46 8.565 8.565 8.717 -0.152 19447 413 1 4 . 1 1 47 47 GLY N N 47 109.692 109.692 111.471 -1.779 19447 414 1 4 . 1 1 47 47 GLY H H 47 8.662 8.662 8.771 -0.109 19447 415 1 4 . 1 1 48 48 MET N N 48 117.200 117.200 119.817 -2.617 19447 416 1 4 . 1 1 48 48 MET H H 48 8.861 8.861 8.855 0.006 19447 417 1 4 . 1 1 49 49 PHE N N 49 116.718 116.718 117.022 -0.304 19447 418 1 4 . 1 1 49 49 PHE H H 49 8.829 8.829 8.615 0.214 19447 419 1 4 . 1 1 51 51 ASP N N 51 120.485 120.485 123.509 -3.024 19447 420 1 4 . 1 1 51 51 ASP H H 51 8.176 8.176 8.055 0.121 19447 421 1 4 . 1 1 52 52 ASN N N 52 110.040 110.040 114.792 -4.752 19447 422 1 4 . 1 1 52 52 ASN H H 52 8.721 8.721 8.232 0.489 19447 423 1 4 . 1 1 53 53 PHE N N 53 117.961 117.961 115.362 2.599 19447 424 1 4 . 1 1 53 53 PHE H H 53 7.536 7.536 7.495 0.041 19447 425 1 4 . 1 1 54 54 VAL N N 54 109.981 109.981 120.493 -10.512 19447 426 1 4 . 1 1 54 54 VAL H H 54 7.464 7.464 7.380 0.084 19447 427 1 4 . 1 1 55 55 LYS N N 55 120.357 120.357 127.915 -7.558 19447 428 1 4 . 1 1 55 55 LYS H H 55 9.156 9.156 8.832 0.324 19447 429 1 4 . 1 1 56 56 GLU N N 56 128.689 128.689 126.007 2.682 19447 430 1 4 . 1 1 56 56 GLU H H 56 8.677 8.677 8.485 0.192 19447 431 1 4 . 1 1 57 57 ILE N N 57 127.140 127.140 127.208 -0.068 19447 432 1 4 . 1 1 57 57 ILE H H 57 8.440 8.440 8.073 0.367 19447 433 1 5 . 1 1 3 3 ASP N N 3 128.606 128.606 122.024 6.582 19447 434 1 5 . 1 1 3 3 ASP H H 3 9.215 9.215 7.697 1.518 19447 435 1 5 . 1 1 4 4 TYR N N 4 120.150 120.150 121.571 -1.421 19447 436 1 5 . 1 1 4 4 TYR H H 4 9.324 9.324 9.034 0.290 19447 437 1 5 . 1 1 5 5 ILE N N 5 119.250 119.250 122.144 -2.894 19447 438 1 5 . 1 1 5 5 ILE H H 5 9.418 9.418 8.725 0.693 19447 439 1 5 . 1 1 6 6 VAL N N 6 126.150 126.150 128.857 -2.707 19447 440 1 5 . 1 1 6 6 VAL H H 6 8.531 8.531 8.981 -0.450 19447 441 1 5 . 1 1 7 7 GLU N N 7 129.289 129.289 129.859 -0.570 19447 442 1 5 . 1 1 7 7 GLU H H 7 9.240 9.240 8.756 0.484 19447 443 1 5 . 1 1 8 8 TYR N N 8 117.500 117.500 123.097 -5.597 19447 444 1 5 . 1 1 8 8 TYR H H 8 7.725 7.725 7.730 -0.005 19447 445 1 5 . 1 1 9 9 ASP N N 9 118.964 118.964 121.853 -2.889 19447 446 1 5 . 1 1 9 9 ASP H H 9 8.026 8.026 7.173 0.853 19447 447 1 5 . 1 1 10 10 TYR N N 10 118.310 118.310 127.448 -9.138 19447 448 1 5 . 1 1 10 10 TYR H H 10 8.134 8.134 8.707 -0.573 19447 449 1 5 . 1 1 11 11 ASP N N 11 128.419 128.419 126.300 2.119 19447 450 1 5 . 1 1 11 11 ASP H H 11 7.807 7.807 8.558 -0.751 19447 451 1 5 . 1 1 12 12 ALA N N 12 123.084 123.084 126.783 -3.699 19447 452 1 5 . 1 1 12 12 ALA H H 12 7.785 7.785 8.356 -0.571 19447 453 1 5 . 1 1 13 13 VAL N N 13 118.591 118.591 117.553 1.038 19447 454 1 5 . 1 1 13 13 VAL H H 13 8.517 8.517 8.108 0.409 19447 455 1 5 . 1 1 14 14 HIS N N 14 115.145 115.145 119.772 -4.627 19447 456 1 5 . 1 1 14 14 HIS H H 14 7.049 7.049 7.620 -0.571 19447 457 1 5 . 1 1 15 15 ASP N N 15 120.695 120.695 120.919 -0.224 19447 458 1 5 . 1 1 15 15 ASP H H 15 8.823 8.823 7.716 1.107 19447 459 1 5 . 1 1 16 16 ASP N N 16 115.886 115.886 118.519 -2.633 19447 460 1 5 . 1 1 16 16 ASP H H 16 8.444 8.444 8.081 0.363 19447 461 1 5 . 1 1 17 17 GLU N N 17 119.643 119.643 118.682 0.961 19447 462 1 5 . 1 1 17 17 GLU H H 17 7.762 7.762 7.194 0.568 19447 463 1 5 . 1 1 18 18 LEU N N 18 120.686 120.686 124.655 -3.969 19447 464 1 5 . 1 1 18 18 LEU H H 18 8.924 8.924 9.094 -0.170 19447 465 1 5 . 1 1 19 19 THR N N 19 117.228 117.228 119.385 -2.157 19447 466 1 5 . 1 1 19 19 THR H H 19 7.462 7.462 8.321 -0.859 19447 467 1 5 . 1 1 20 20 ILE N N 20 121.475 121.475 121.670 -0.195 19447 468 1 5 . 1 1 20 20 ILE H H 20 9.269 9.269 7.959 1.310 19447 469 1 5 . 1 1 21 21 ARG N N 21 124.941 124.941 123.650 1.291 19447 470 1 5 . 1 1 21 21 ARG H H 21 8.809 8.809 8.559 0.250 19447 471 1 5 . 1 1 22 22 VAL N N 22 118.300 118.300 121.510 -3.210 19447 472 1 5 . 1 1 22 22 VAL H H 22 7.994 7.994 8.137 -0.143 19447 473 1 5 . 1 1 23 23 GLY N N 23 114.572 114.572 115.571 -0.999 19447 474 1 5 . 1 1 23 23 GLY H H 23 8.690 8.690 8.435 0.255 19447 475 1 5 . 1 1 24 24 GLU N N 24 120.005 120.005 121.518 -1.513 19447 476 1 5 . 1 1 24 24 GLU H H 24 8.076 8.076 8.108 -0.032 19447 477 1 5 . 1 1 25 25 ILE N N 25 119.376 119.376 123.227 -3.851 19447 478 1 5 . 1 1 25 25 ILE H H 25 7.972 7.972 8.344 -0.372 19447 479 1 5 . 1 1 26 26 ILE N N 26 128.357 128.357 130.100 -1.743 19447 480 1 5 . 1 1 26 26 ILE H H 26 9.321 9.321 8.794 0.527 19447 481 1 5 . 1 1 27 27 ARG N N 27 123.620 123.620 127.547 -3.927 19447 482 1 5 . 1 1 27 27 ARG H H 27 8.655 8.655 8.702 -0.047 19447 483 1 5 . 1 1 28 28 ASN N N 28 117.452 117.452 116.725 0.727 19447 484 1 5 . 1 1 28 28 ASN H H 28 8.608 8.608 8.936 -0.328 19447 485 1 5 . 1 1 29 29 VAL N N 29 120.580 120.580 119.912 0.668 19447 486 1 5 . 1 1 29 29 VAL H H 29 8.661 8.661 8.123 0.538 19447 487 1 5 . 1 1 30 30 LYS N N 30 127.372 127.372 128.891 -1.519 19447 488 1 5 . 1 1 30 30 LYS H H 30 9.384 9.384 8.871 0.513 19447 489 1 5 . 1 1 31 31 LYS N N 31 121.810 121.810 126.928 -5.118 19447 490 1 5 . 1 1 31 31 LYS H H 31 8.493 8.493 8.596 -0.103 19447 491 1 5 . 1 1 32 32 LEU N N 32 123.341 123.341 126.033 -2.692 19447 492 1 5 . 1 1 32 32 LEU H H 32 7.653 7.653 7.835 -0.182 19447 493 1 5 . 1 1 33 33 GLN N N 33 118.368 118.368 118.676 -0.308 19447 494 1 5 . 1 1 33 33 GLN H H 33 8.435 8.435 8.477 -0.042 19447 495 1 5 . 1 1 34 34 GLU N N 34 119.345 119.345 120.486 -1.141 19447 496 1 5 . 1 1 34 34 GLU H H 34 7.336 7.336 8.266 -0.930 19447 497 1 5 . 1 1 35 35 GLU N N 35 126.251 126.251 125.461 0.790 19447 498 1 5 . 1 1 35 35 GLU H H 35 8.352 8.352 8.884 -0.532 19447 499 1 5 . 1 1 36 36 GLY N N 36 111.344 111.344 109.918 1.426 19447 500 1 5 . 1 1 36 36 GLY H H 36 8.510 8.510 8.573 -0.063 19447 501 1 5 . 1 1 37 37 TRP N N 37 119.200 119.200 121.321 -2.121 19447 502 1 5 . 1 1 37 37 TRP H H 37 7.727 7.727 7.574 0.153 19447 503 1 5 . 1 1 38 38 LEU N N 38 123.025 123.025 121.197 1.828 19447 504 1 5 . 1 1 38 38 LEU H H 38 8.402 8.402 8.823 -0.421 19447 505 1 5 . 1 1 39 39 GLU N N 39 117.576 117.576 119.361 -1.785 19447 506 1 5 . 1 1 39 39 GLU H H 39 8.457 8.457 8.360 0.097 19447 507 1 5 . 1 1 40 40 GLY N N 40 110.793 110.793 111.742 -0.949 19447 508 1 5 . 1 1 40 40 GLY H H 40 8.765 8.765 8.418 0.347 19447 509 1 5 . 1 1 41 41 GLU N N 41 118.958 118.958 120.289 -1.331 19447 510 1 5 . 1 1 41 41 GLU H H 41 9.039 9.039 8.610 0.429 19447 511 1 5 . 1 1 42 42 LEU N N 42 127.681 127.681 126.225 1.456 19447 512 1 5 . 1 1 42 42 LEU H H 42 9.032 9.032 8.777 0.255 19447 513 1 5 . 1 1 43 43 ASN N N 43 126.687 126.687 124.984 1.703 19447 514 1 5 . 1 1 43 43 ASN H H 43 9.582 9.582 9.283 0.299 19447 515 1 5 . 1 1 44 44 GLY N N 44 104.039 104.039 104.529 -0.490 19447 516 1 5 . 1 1 44 44 GLY H H 44 8.984 8.984 8.482 0.502 19447 517 1 5 . 1 1 45 45 ARG N N 45 120.104 120.104 120.664 -0.560 19447 518 1 5 . 1 1 45 45 ARG H H 45 7.714 7.714 7.648 0.066 19447 519 1 5 . 1 1 46 46 ARG N N 46 121.840 121.840 127.579 -5.739 19447 520 1 5 . 1 1 46 46 ARG H H 46 8.565 8.565 8.706 -0.141 19447 521 1 5 . 1 1 47 47 GLY N N 47 109.692 109.692 111.732 -2.040 19447 522 1 5 . 1 1 47 47 GLY H H 47 8.662 8.662 8.842 -0.180 19447 523 1 5 . 1 1 48 48 MET N N 48 117.200 117.200 119.657 -2.457 19447 524 1 5 . 1 1 48 48 MET H H 48 8.861 8.861 8.766 0.095 19447 525 1 5 . 1 1 49 49 PHE N N 49 116.718 116.718 115.686 1.032 19447 526 1 5 . 1 1 49 49 PHE H H 49 8.829 8.829 8.714 0.115 19447 527 1 5 . 1 1 51 51 ASP N N 51 120.485 120.485 123.668 -3.183 19447 528 1 5 . 1 1 51 51 ASP H H 51 8.176 8.176 8.275 -0.099 19447 529 1 5 . 1 1 52 52 ASN N N 52 110.040 110.040 116.343 -6.303 19447 530 1 5 . 1 1 52 52 ASN H H 52 8.721 8.721 8.401 0.320 19447 531 1 5 . 1 1 53 53 PHE N N 53 117.961 117.961 115.916 2.045 19447 532 1 5 . 1 1 53 53 PHE H H 53 7.536 7.536 7.446 0.090 19447 533 1 5 . 1 1 54 54 VAL N N 54 109.981 109.981 114.562 -4.581 19447 534 1 5 . 1 1 54 54 VAL H H 54 7.464 7.464 7.483 -0.019 19447 535 1 5 . 1 1 55 55 LYS N N 55 120.357 120.357 124.563 -4.206 19447 536 1 5 . 1 1 55 55 LYS H H 55 9.156 9.156 8.535 0.621 19447 537 1 5 . 1 1 56 56 GLU N N 56 128.689 128.689 126.402 2.287 19447 538 1 5 . 1 1 56 56 GLU H H 56 8.677 8.677 8.579 0.098 19447 539 1 5 . 1 1 57 57 ILE N N 57 127.140 127.140 127.793 -0.653 19447 540 1 5 . 1 1 57 57 ILE H H 57 8.440 8.440 7.586 0.854 19447 541 1 6 . 1 1 3 3 ASP N N 3 128.606 128.606 120.652 7.954 19447 542 1 6 . 1 1 3 3 ASP H H 3 9.215 9.215 7.710 1.505 19447 543 1 6 . 1 1 4 4 TYR N N 4 120.150 120.150 119.504 0.646 19447 544 1 6 . 1 1 4 4 TYR H H 4 9.324 9.324 8.426 0.898 19447 545 1 6 . 1 1 5 5 ILE N N 5 119.250 119.250 120.321 -1.071 19447 546 1 6 . 1 1 5 5 ILE H H 5 9.418 9.418 9.130 0.288 19447 547 1 6 . 1 1 6 6 VAL N N 6 126.150 126.150 128.516 -2.366 19447 548 1 6 . 1 1 6 6 VAL H H 6 8.531 8.531 8.823 -0.292 19447 549 1 6 . 1 1 7 7 GLU N N 7 129.289 129.289 129.717 -0.428 19447 550 1 6 . 1 1 7 7 GLU H H 7 9.240 9.240 8.348 0.892 19447 551 1 6 . 1 1 8 8 TYR N N 8 117.500 117.500 124.072 -6.572 19447 552 1 6 . 1 1 8 8 TYR H H 8 7.725 7.725 7.774 -0.049 19447 553 1 6 . 1 1 9 9 ASP N N 9 118.964 118.964 119.507 -0.543 19447 554 1 6 . 1 1 9 9 ASP H H 9 8.026 8.026 8.770 -0.744 19447 555 1 6 . 1 1 10 10 TYR N N 10 118.310 118.310 121.832 -3.522 19447 556 1 6 . 1 1 10 10 TYR H H 10 8.134 8.134 8.023 0.111 19447 557 1 6 . 1 1 11 11 ASP N N 11 128.419 128.419 124.249 4.170 19447 558 1 6 . 1 1 11 11 ASP H H 11 7.807 7.807 7.865 -0.058 19447 559 1 6 . 1 1 12 12 ALA N N 12 123.084 123.084 126.259 -3.175 19447 560 1 6 . 1 1 12 12 ALA H H 12 7.785 7.785 8.027 -0.242 19447 561 1 6 . 1 1 13 13 VAL N N 13 118.591 118.591 117.380 1.211 19447 562 1 6 . 1 1 13 13 VAL H H 13 8.517 8.517 8.065 0.452 19447 563 1 6 . 1 1 14 14 HIS N N 14 115.145 115.145 116.726 -1.581 19447 564 1 6 . 1 1 14 14 HIS H H 14 7.049 7.049 7.591 -0.542 19447 565 1 6 . 1 1 15 15 ASP N N 15 120.695 120.695 121.524 -0.829 19447 566 1 6 . 1 1 15 15 ASP H H 15 8.823 8.823 8.774 0.049 19447 567 1 6 . 1 1 16 16 ASP N N 16 115.886 115.886 115.813 0.073 19447 568 1 6 . 1 1 16 16 ASP H H 16 8.444 8.444 8.463 -0.019 19447 569 1 6 . 1 1 17 17 GLU N N 17 119.643 119.643 119.606 0.037 19447 570 1 6 . 1 1 17 17 GLU H H 17 7.762 7.762 7.292 0.470 19447 571 1 6 . 1 1 18 18 LEU N N 18 120.686 120.686 125.380 -4.694 19447 572 1 6 . 1 1 18 18 LEU H H 18 8.924 8.924 8.812 0.112 19447 573 1 6 . 1 1 19 19 THR N N 19 117.228 117.228 119.105 -1.877 19447 574 1 6 . 1 1 19 19 THR H H 19 7.462 7.462 8.391 -0.929 19447 575 1 6 . 1 1 20 20 ILE N N 20 121.475 121.475 123.559 -2.084 19447 576 1 6 . 1 1 20 20 ILE H H 20 9.269 9.269 8.097 1.172 19447 577 1 6 . 1 1 21 21 ARG N N 21 124.941 124.941 125.330 -0.389 19447 578 1 6 . 1 1 21 21 ARG H H 21 8.809 8.809 8.501 0.308 19447 579 1 6 . 1 1 22 22 VAL N N 22 118.300 118.300 120.163 -1.863 19447 580 1 6 . 1 1 22 22 VAL H H 22 7.994 7.994 8.162 -0.168 19447 581 1 6 . 1 1 23 23 GLY N N 23 114.572 114.572 114.602 -0.030 19447 582 1 6 . 1 1 23 23 GLY H H 23 8.690 8.690 8.393 0.297 19447 583 1 6 . 1 1 24 24 GLU N N 24 120.005 120.005 121.719 -1.714 19447 584 1 6 . 1 1 24 24 GLU H H 24 8.076 8.076 8.075 0.001 19447 585 1 6 . 1 1 25 25 ILE N N 25 119.376 119.376 123.884 -4.508 19447 586 1 6 . 1 1 25 25 ILE H H 25 7.972 7.972 8.259 -0.287 19447 587 1 6 . 1 1 26 26 ILE N N 26 128.357 128.357 128.615 -0.258 19447 588 1 6 . 1 1 26 26 ILE H H 26 9.321 9.321 8.532 0.789 19447 589 1 6 . 1 1 27 27 ARG N N 27 123.620 123.620 127.959 -4.339 19447 590 1 6 . 1 1 27 27 ARG H H 27 8.655 8.655 8.754 -0.099 19447 591 1 6 . 1 1 28 28 ASN N N 28 117.452 117.452 118.264 -0.812 19447 592 1 6 . 1 1 28 28 ASN H H 28 8.608 8.608 8.962 -0.354 19447 593 1 6 . 1 1 29 29 VAL N N 29 120.580 120.580 120.826 -0.246 19447 594 1 6 . 1 1 29 29 VAL H H 29 8.661 8.661 8.363 0.298 19447 595 1 6 . 1 1 30 30 LYS N N 30 127.372 127.372 126.388 0.984 19447 596 1 6 . 1 1 30 30 LYS H H 30 9.384 9.384 8.921 0.463 19447 597 1 6 . 1 1 31 31 LYS N N 31 121.810 121.810 124.325 -2.515 19447 598 1 6 . 1 1 31 31 LYS H H 31 8.493 8.493 8.564 -0.071 19447 599 1 6 . 1 1 32 32 LEU N N 32 123.341 123.341 125.967 -2.626 19447 600 1 6 . 1 1 32 32 LEU H H 32 7.653 7.653 7.989 -0.336 19447 601 1 6 . 1 1 33 33 GLN N N 33 118.368 118.368 117.472 0.896 19447 602 1 6 . 1 1 33 33 GLN H H 33 8.435 8.435 8.374 0.061 19447 603 1 6 . 1 1 34 34 GLU N N 34 119.345 119.345 118.639 0.706 19447 604 1 6 . 1 1 34 34 GLU H H 34 7.336 7.336 7.957 -0.621 19447 605 1 6 . 1 1 35 35 GLU N N 35 126.251 126.251 125.184 1.067 19447 606 1 6 . 1 1 35 35 GLU H H 35 8.352 8.352 8.786 -0.434 19447 607 1 6 . 1 1 36 36 GLY N N 36 111.344 111.344 112.126 -0.782 19447 608 1 6 . 1 1 36 36 GLY H H 36 8.510 8.510 8.931 -0.421 19447 609 1 6 . 1 1 37 37 TRP N N 37 119.200 119.200 121.960 -2.760 19447 610 1 6 . 1 1 37 37 TRP H H 37 7.727 7.727 7.758 -0.031 19447 611 1 6 . 1 1 38 38 LEU N N 38 123.025 123.025 122.645 0.380 19447 612 1 6 . 1 1 38 38 LEU H H 38 8.402 8.402 8.289 0.113 19447 613 1 6 . 1 1 39 39 GLU N N 39 117.576 117.576 120.242 -2.666 19447 614 1 6 . 1 1 39 39 GLU H H 39 8.457 8.457 8.622 -0.165 19447 615 1 6 . 1 1 40 40 GLY N N 40 110.793 110.793 111.513 -0.720 19447 616 1 6 . 1 1 40 40 GLY H H 40 8.765 8.765 8.102 0.663 19447 617 1 6 . 1 1 41 41 GLU N N 41 118.958 118.958 120.824 -1.866 19447 618 1 6 . 1 1 41 41 GLU H H 41 9.039 9.039 8.478 0.561 19447 619 1 6 . 1 1 42 42 LEU N N 42 127.681 127.681 128.024 -0.343 19447 620 1 6 . 1 1 42 42 LEU H H 42 9.032 9.032 8.547 0.485 19447 621 1 6 . 1 1 43 43 ASN N N 43 126.687 126.687 123.690 2.997 19447 622 1 6 . 1 1 43 43 ASN H H 43 9.582 9.582 9.347 0.235 19447 623 1 6 . 1 1 44 44 GLY N N 44 104.039 104.039 102.302 1.737 19447 624 1 6 . 1 1 44 44 GLY H H 44 8.984 8.984 8.307 0.677 19447 625 1 6 . 1 1 45 45 ARG N N 45 120.104 120.104 121.961 -1.857 19447 626 1 6 . 1 1 45 45 ARG H H 45 7.714 7.714 7.554 0.160 19447 627 1 6 . 1 1 46 46 ARG N N 46 121.840 121.840 127.582 -5.742 19447 628 1 6 . 1 1 46 46 ARG H H 46 8.565 8.565 8.699 -0.134 19447 629 1 6 . 1 1 47 47 GLY N N 47 109.692 109.692 110.661 -0.969 19447 630 1 6 . 1 1 47 47 GLY H H 47 8.662 8.662 8.619 0.043 19447 631 1 6 . 1 1 48 48 MET N N 48 117.200 117.200 119.306 -2.106 19447 632 1 6 . 1 1 48 48 MET H H 48 8.861 8.861 8.524 0.337 19447 633 1 6 . 1 1 49 49 PHE N N 49 116.718 116.718 116.817 -0.099 19447 634 1 6 . 1 1 49 49 PHE H H 49 8.829 8.829 8.144 0.685 19447 635 1 6 . 1 1 51 51 ASP N N 51 120.485 120.485 124.452 -3.967 19447 636 1 6 . 1 1 51 51 ASP H H 51 8.176 8.176 8.482 -0.306 19447 637 1 6 . 1 1 52 52 ASN N N 52 110.040 110.040 117.568 -7.528 19447 638 1 6 . 1 1 52 52 ASN H H 52 8.721 8.721 8.785 -0.064 19447 639 1 6 . 1 1 53 53 PHE N N 53 117.961 117.961 115.286 2.675 19447 640 1 6 . 1 1 53 53 PHE H H 53 7.536 7.536 7.629 -0.093 19447 641 1 6 . 1 1 54 54 VAL N N 54 109.981 109.981 117.311 -7.330 19447 642 1 6 . 1 1 54 54 VAL H H 54 7.464 7.464 7.530 -0.066 19447 643 1 6 . 1 1 55 55 LYS N N 55 120.357 120.357 123.094 -2.737 19447 644 1 6 . 1 1 55 55 LYS H H 55 9.156 9.156 9.018 0.138 19447 645 1 6 . 1 1 56 56 GLU N N 56 128.689 128.689 123.238 5.451 19447 646 1 6 . 1 1 56 56 GLU H H 56 8.677 8.677 8.651 0.026 19447 647 1 6 . 1 1 57 57 ILE N N 57 127.140 127.140 123.506 3.634 19447 648 1 6 . 1 1 57 57 ILE H H 57 8.440 8.440 7.264 1.176 19447 649 1 7 . 1 1 3 3 ASP N N 3 128.606 128.606 119.735 8.871 19447 650 1 7 . 1 1 3 3 ASP H H 3 9.215 9.215 8.587 0.628 19447 651 1 7 . 1 1 4 4 TYR N N 4 120.150 120.150 119.332 0.818 19447 652 1 7 . 1 1 4 4 TYR H H 4 9.324 9.324 8.613 0.711 19447 653 1 7 . 1 1 5 5 ILE N N 5 119.250 119.250 117.527 1.723 19447 654 1 7 . 1 1 5 5 ILE H H 5 9.418 9.418 9.143 0.275 19447 655 1 7 . 1 1 6 6 VAL N N 6 126.150 126.150 122.731 3.419 19447 656 1 7 . 1 1 6 6 VAL H H 6 8.531 8.531 8.503 0.028 19447 657 1 7 . 1 1 7 7 GLU N N 7 129.289 129.289 128.069 1.220 19447 658 1 7 . 1 1 7 7 GLU H H 7 9.240 9.240 8.809 0.431 19447 659 1 7 . 1 1 8 8 TYR N N 8 117.500 117.500 121.496 -3.996 19447 660 1 7 . 1 1 8 8 TYR H H 8 7.725 7.725 7.691 0.034 19447 661 1 7 . 1 1 9 9 ASP N N 9 118.964 118.964 119.933 -0.969 19447 662 1 7 . 1 1 9 9 ASP H H 9 8.026 8.026 8.492 -0.466 19447 663 1 7 . 1 1 10 10 TYR N N 10 118.310 118.310 124.276 -5.966 19447 664 1 7 . 1 1 10 10 TYR H H 10 8.134 8.134 8.348 -0.214 19447 665 1 7 . 1 1 11 11 ASP N N 11 128.419 128.419 125.166 3.253 19447 666 1 7 . 1 1 11 11 ASP H H 11 7.807 7.807 7.960 -0.153 19447 667 1 7 . 1 1 12 12 ALA N N 12 123.084 123.084 127.213 -4.129 19447 668 1 7 . 1 1 12 12 ALA H H 12 7.785 7.785 8.581 -0.796 19447 669 1 7 . 1 1 13 13 VAL N N 13 118.591 118.591 118.436 0.155 19447 670 1 7 . 1 1 13 13 VAL H H 13 8.517 8.517 8.372 0.145 19447 671 1 7 . 1 1 14 14 HIS N N 14 115.145 115.145 115.542 -0.397 19447 672 1 7 . 1 1 14 14 HIS H H 14 7.049 7.049 7.229 -0.180 19447 673 1 7 . 1 1 15 15 ASP N N 15 120.695 120.695 120.017 0.678 19447 674 1 7 . 1 1 15 15 ASP H H 15 8.823 8.823 8.738 0.085 19447 675 1 7 . 1 1 16 16 ASP N N 16 115.886 115.886 117.596 -1.710 19447 676 1 7 . 1 1 16 16 ASP H H 16 8.444 8.444 8.732 -0.288 19447 677 1 7 . 1 1 17 17 GLU N N 17 119.643 119.643 118.889 0.754 19447 678 1 7 . 1 1 17 17 GLU H H 17 7.762 7.762 7.200 0.562 19447 679 1 7 . 1 1 18 18 LEU N N 18 120.686 120.686 124.547 -3.861 19447 680 1 7 . 1 1 18 18 LEU H H 18 8.924 8.924 8.582 0.342 19447 681 1 7 . 1 1 19 19 THR N N 19 117.228 117.228 120.428 -3.200 19447 682 1 7 . 1 1 19 19 THR H H 19 7.462 7.462 8.480 -1.018 19447 683 1 7 . 1 1 20 20 ILE N N 20 121.475 121.475 124.007 -2.532 19447 684 1 7 . 1 1 20 20 ILE H H 20 9.269 9.269 8.229 1.040 19447 685 1 7 . 1 1 21 21 ARG N N 21 124.941 124.941 125.369 -0.428 19447 686 1 7 . 1 1 21 21 ARG H H 21 8.809 8.809 8.601 0.208 19447 687 1 7 . 1 1 22 22 VAL N N 22 118.300 118.300 121.447 -3.147 19447 688 1 7 . 1 1 22 22 VAL H H 22 7.994 7.994 8.256 -0.262 19447 689 1 7 . 1 1 23 23 GLY N N 23 114.572 114.572 114.860 -0.288 19447 690 1 7 . 1 1 23 23 GLY H H 23 8.690 8.690 8.680 0.010 19447 691 1 7 . 1 1 24 24 GLU N N 24 120.005 120.005 122.552 -2.547 19447 692 1 7 . 1 1 24 24 GLU H H 24 8.076 8.076 8.138 -0.062 19447 693 1 7 . 1 1 25 25 ILE N N 25 119.376 119.376 125.209 -5.833 19447 694 1 7 . 1 1 25 25 ILE H H 25 7.972 7.972 8.395 -0.423 19447 695 1 7 . 1 1 26 26 ILE N N 26 128.357 128.357 128.173 0.184 19447 696 1 7 . 1 1 26 26 ILE H H 26 9.321 9.321 8.716 0.605 19447 697 1 7 . 1 1 27 27 ARG N N 27 123.620 123.620 126.768 -3.148 19447 698 1 7 . 1 1 27 27 ARG H H 27 8.655 8.655 8.660 -0.005 19447 699 1 7 . 1 1 28 28 ASN N N 28 117.452 117.452 117.187 0.265 19447 700 1 7 . 1 1 28 28 ASN H H 28 8.608 8.608 8.654 -0.046 19447 701 1 7 . 1 1 29 29 VAL N N 29 120.580 120.580 116.696 3.884 19447 702 1 7 . 1 1 29 29 VAL H H 29 8.661 8.661 8.556 0.105 19447 703 1 7 . 1 1 30 30 LYS N N 30 127.372 127.372 125.825 1.547 19447 704 1 7 . 1 1 30 30 LYS H H 30 9.384 9.384 8.825 0.559 19447 705 1 7 . 1 1 31 31 LYS N N 31 121.810 121.810 125.446 -3.636 19447 706 1 7 . 1 1 31 31 LYS H H 31 8.493 8.493 8.632 -0.139 19447 707 1 7 . 1 1 32 32 LEU N N 32 123.341 123.341 125.833 -2.492 19447 708 1 7 . 1 1 32 32 LEU H H 32 7.653 7.653 7.674 -0.021 19447 709 1 7 . 1 1 33 33 GLN N N 33 118.368 118.368 117.228 1.140 19447 710 1 7 . 1 1 33 33 GLN H H 33 8.435 8.435 8.503 -0.068 19447 711 1 7 . 1 1 34 34 GLU N N 34 119.345 119.345 119.527 -0.182 19447 712 1 7 . 1 1 34 34 GLU H H 34 7.336 7.336 7.992 -0.656 19447 713 1 7 . 1 1 35 35 GLU N N 35 126.251 126.251 126.046 0.205 19447 714 1 7 . 1 1 35 35 GLU H H 35 8.352 8.352 8.854 -0.502 19447 715 1 7 . 1 1 36 36 GLY N N 36 111.344 111.344 113.799 -2.455 19447 716 1 7 . 1 1 36 36 GLY H H 36 8.510 8.510 8.858 -0.348 19447 717 1 7 . 1 1 37 37 TRP N N 37 119.200 119.200 121.377 -2.177 19447 718 1 7 . 1 1 37 37 TRP H H 37 7.727 7.727 7.767 -0.040 19447 719 1 7 . 1 1 38 38 LEU N N 38 123.025 123.025 122.849 0.176 19447 720 1 7 . 1 1 38 38 LEU H H 38 8.402 8.402 8.401 0.001 19447 721 1 7 . 1 1 39 39 GLU N N 39 117.576 117.576 119.969 -2.393 19447 722 1 7 . 1 1 39 39 GLU H H 39 8.457 8.457 8.189 0.268 19447 723 1 7 . 1 1 40 40 GLY N N 40 110.793 110.793 111.859 -1.066 19447 724 1 7 . 1 1 40 40 GLY H H 40 8.765 8.765 8.677 0.088 19447 725 1 7 . 1 1 41 41 GLU N N 41 118.958 118.958 119.630 -0.672 19447 726 1 7 . 1 1 41 41 GLU H H 41 9.039 9.039 8.282 0.757 19447 727 1 7 . 1 1 42 42 LEU N N 42 127.681 127.681 125.505 2.176 19447 728 1 7 . 1 1 42 42 LEU H H 42 9.032 9.032 8.732 0.300 19447 729 1 7 . 1 1 43 43 ASN N N 43 126.687 126.687 125.530 1.157 19447 730 1 7 . 1 1 43 43 ASN H H 43 9.582 9.582 9.273 0.309 19447 731 1 7 . 1 1 44 44 GLY N N 44 104.039 104.039 104.007 0.032 19447 732 1 7 . 1 1 44 44 GLY H H 44 8.984 8.984 8.487 0.497 19447 733 1 7 . 1 1 45 45 ARG N N 45 120.104 120.104 122.349 -2.245 19447 734 1 7 . 1 1 45 45 ARG H H 45 7.714 7.714 7.773 -0.059 19447 735 1 7 . 1 1 46 46 ARG N N 46 121.840 121.840 127.274 -5.434 19447 736 1 7 . 1 1 46 46 ARG H H 46 8.565 8.565 8.711 -0.146 19447 737 1 7 . 1 1 47 47 GLY N N 47 109.692 109.692 111.290 -1.598 19447 738 1 7 . 1 1 47 47 GLY H H 47 8.662 8.662 8.887 -0.225 19447 739 1 7 . 1 1 48 48 MET N N 48 117.200 117.200 118.436 -1.236 19447 740 1 7 . 1 1 48 48 MET H H 48 8.861 8.861 8.662 0.199 19447 741 1 7 . 1 1 49 49 PHE N N 49 116.718 116.718 116.456 0.262 19447 742 1 7 . 1 1 49 49 PHE H H 49 8.829 8.829 8.186 0.643 19447 743 1 7 . 1 1 51 51 ASP N N 51 120.485 120.485 123.574 -3.089 19447 744 1 7 . 1 1 51 51 ASP H H 51 8.176 8.176 8.435 -0.259 19447 745 1 7 . 1 1 52 52 ASN N N 52 110.040 110.040 115.789 -5.749 19447 746 1 7 . 1 1 52 52 ASN H H 52 8.721 8.721 8.447 0.274 19447 747 1 7 . 1 1 53 53 PHE N N 53 117.961 117.961 113.539 4.422 19447 748 1 7 . 1 1 53 53 PHE H H 53 7.536 7.536 7.307 0.229 19447 749 1 7 . 1 1 54 54 VAL N N 54 109.981 109.981 114.498 -4.517 19447 750 1 7 . 1 1 54 54 VAL H H 54 7.464 7.464 7.630 -0.166 19447 751 1 7 . 1 1 55 55 LYS N N 55 120.357 120.357 123.775 -3.418 19447 752 1 7 . 1 1 55 55 LYS H H 55 9.156 9.156 8.739 0.417 19447 753 1 7 . 1 1 56 56 GLU N N 56 128.689 128.689 125.755 2.934 19447 754 1 7 . 1 1 56 56 GLU H H 56 8.677 8.677 8.574 0.103 19447 755 1 7 . 1 1 57 57 ILE N N 57 127.140 127.140 129.352 -2.212 19447 756 1 7 . 1 1 57 57 ILE H H 57 8.440 8.440 8.050 0.390 19447 757 1 8 . 1 1 3 3 ASP N N 3 128.606 128.606 121.072 7.534 19447 758 1 8 . 1 1 3 3 ASP H H 3 9.215 9.215 8.213 1.002 19447 759 1 8 . 1 1 4 4 TYR N N 4 120.150 120.150 119.036 1.114 19447 760 1 8 . 1 1 4 4 TYR H H 4 9.324 9.324 8.797 0.527 19447 761 1 8 . 1 1 5 5 ILE N N 5 119.250 119.250 121.263 -2.013 19447 762 1 8 . 1 1 5 5 ILE H H 5 9.418 9.418 9.075 0.343 19447 763 1 8 . 1 1 6 6 VAL N N 6 126.150 126.150 130.164 -4.014 19447 764 1 8 . 1 1 6 6 VAL H H 6 8.531 8.531 8.674 -0.143 19447 765 1 8 . 1 1 7 7 GLU N N 7 129.289 129.289 128.799 0.490 19447 766 1 8 . 1 1 7 7 GLU H H 7 9.240 9.240 8.721 0.519 19447 767 1 8 . 1 1 8 8 TYR N N 8 117.500 117.500 123.743 -6.243 19447 768 1 8 . 1 1 8 8 TYR H H 8 7.725 7.725 7.759 -0.034 19447 769 1 8 . 1 1 9 9 ASP N N 9 118.964 118.964 121.627 -2.663 19447 770 1 8 . 1 1 9 9 ASP H H 9 8.026 8.026 8.566 -0.540 19447 771 1 8 . 1 1 10 10 TYR N N 10 118.310 118.310 125.505 -7.195 19447 772 1 8 . 1 1 10 10 TYR H H 10 8.134 8.134 9.008 -0.874 19447 773 1 8 . 1 1 11 11 ASP N N 11 128.419 128.419 124.398 4.021 19447 774 1 8 . 1 1 11 11 ASP H H 11 7.807 7.807 8.281 -0.474 19447 775 1 8 . 1 1 12 12 ALA N N 12 123.084 123.084 126.503 -3.419 19447 776 1 8 . 1 1 12 12 ALA H H 12 7.785 7.785 7.979 -0.194 19447 777 1 8 . 1 1 13 13 VAL N N 13 118.591 118.591 118.660 -0.069 19447 778 1 8 . 1 1 13 13 VAL H H 13 8.517 8.517 8.179 0.338 19447 779 1 8 . 1 1 14 14 HIS N N 14 115.145 115.145 119.841 -4.696 19447 780 1 8 . 1 1 14 14 HIS H H 14 7.049 7.049 7.846 -0.797 19447 781 1 8 . 1 1 15 15 ASP N N 15 120.695 120.695 120.881 -0.186 19447 782 1 8 . 1 1 15 15 ASP H H 15 8.823 8.823 8.848 -0.025 19447 783 1 8 . 1 1 16 16 ASP N N 16 115.886 115.886 116.088 -0.202 19447 784 1 8 . 1 1 16 16 ASP H H 16 8.444 8.444 8.533 -0.089 19447 785 1 8 . 1 1 17 17 GLU N N 17 119.643 119.643 119.174 0.469 19447 786 1 8 . 1 1 17 17 GLU H H 17 7.762 7.762 7.558 0.204 19447 787 1 8 . 1 1 18 18 LEU N N 18 120.686 120.686 126.294 -5.608 19447 788 1 8 . 1 1 18 18 LEU H H 18 8.924 8.924 9.012 -0.088 19447 789 1 8 . 1 1 19 19 THR N N 19 117.228 117.228 121.251 -4.023 19447 790 1 8 . 1 1 19 19 THR H H 19 7.462 7.462 8.292 -0.830 19447 791 1 8 . 1 1 20 20 ILE N N 20 121.475 121.475 124.626 -3.151 19447 792 1 8 . 1 1 20 20 ILE H H 20 9.269 9.269 8.078 1.191 19447 793 1 8 . 1 1 21 21 ARG N N 21 124.941 124.941 125.989 -1.048 19447 794 1 8 . 1 1 21 21 ARG H H 21 8.809 8.809 8.664 0.145 19447 795 1 8 . 1 1 22 22 VAL N N 22 118.300 118.300 121.957 -3.657 19447 796 1 8 . 1 1 22 22 VAL H H 22 7.994 7.994 8.501 -0.507 19447 797 1 8 . 1 1 23 23 GLY N N 23 114.572 114.572 115.910 -1.338 19447 798 1 8 . 1 1 23 23 GLY H H 23 8.690 8.690 8.432 0.258 19447 799 1 8 . 1 1 24 24 GLU N N 24 120.005 120.005 123.235 -3.230 19447 800 1 8 . 1 1 24 24 GLU H H 24 8.076 8.076 8.229 -0.153 19447 801 1 8 . 1 1 25 25 ILE N N 25 119.376 119.376 122.411 -3.035 19447 802 1 8 . 1 1 25 25 ILE H H 25 7.972 7.972 8.524 -0.552 19447 803 1 8 . 1 1 26 26 ILE N N 26 128.357 128.357 126.782 1.575 19447 804 1 8 . 1 1 26 26 ILE H H 26 9.321 9.321 8.214 1.107 19447 805 1 8 . 1 1 27 27 ARG N N 27 123.620 123.620 126.887 -3.267 19447 806 1 8 . 1 1 27 27 ARG H H 27 8.655 8.655 8.909 -0.254 19447 807 1 8 . 1 1 28 28 ASN N N 28 117.452 117.452 116.064 1.388 19447 808 1 8 . 1 1 28 28 ASN H H 28 8.608 8.608 8.883 -0.275 19447 809 1 8 . 1 1 29 29 VAL N N 29 120.580 120.580 119.337 1.243 19447 810 1 8 . 1 1 29 29 VAL H H 29 8.661 8.661 8.302 0.359 19447 811 1 8 . 1 1 30 30 LYS N N 30 127.372 127.372 128.883 -1.511 19447 812 1 8 . 1 1 30 30 LYS H H 30 9.384 9.384 8.833 0.551 19447 813 1 8 . 1 1 31 31 LYS N N 31 121.810 121.810 124.777 -2.967 19447 814 1 8 . 1 1 31 31 LYS H H 31 8.493 8.493 8.492 0.001 19447 815 1 8 . 1 1 32 32 LEU N N 32 123.341 123.341 126.623 -3.282 19447 816 1 8 . 1 1 32 32 LEU H H 32 7.653 7.653 8.128 -0.475 19447 817 1 8 . 1 1 33 33 GLN N N 33 118.368 118.368 117.164 1.204 19447 818 1 8 . 1 1 33 33 GLN H H 33 8.435 8.435 8.370 0.065 19447 819 1 8 . 1 1 34 34 GLU N N 34 119.345 119.345 120.546 -1.201 19447 820 1 8 . 1 1 34 34 GLU H H 34 7.336 7.336 8.065 -0.729 19447 821 1 8 . 1 1 35 35 GLU N N 35 126.251 126.251 125.220 1.031 19447 822 1 8 . 1 1 35 35 GLU H H 35 8.352 8.352 8.821 -0.469 19447 823 1 8 . 1 1 36 36 GLY N N 36 111.344 111.344 114.004 -2.660 19447 824 1 8 . 1 1 36 36 GLY H H 36 8.510 8.510 8.916 -0.406 19447 825 1 8 . 1 1 37 37 TRP N N 37 119.200 119.200 121.819 -2.619 19447 826 1 8 . 1 1 37 37 TRP H H 37 7.727 7.727 7.612 0.115 19447 827 1 8 . 1 1 38 38 LEU N N 38 123.025 123.025 123.244 -0.219 19447 828 1 8 . 1 1 38 38 LEU H H 38 8.402 8.402 8.481 -0.079 19447 829 1 8 . 1 1 39 39 GLU N N 39 117.576 117.576 119.983 -2.407 19447 830 1 8 . 1 1 39 39 GLU H H 39 8.457 8.457 8.487 -0.030 19447 831 1 8 . 1 1 40 40 GLY N N 40 110.793 110.793 111.049 -0.256 19447 832 1 8 . 1 1 40 40 GLY H H 40 8.765 8.765 8.154 0.611 19447 833 1 8 . 1 1 41 41 GLU N N 41 118.958 118.958 120.080 -1.122 19447 834 1 8 . 1 1 41 41 GLU H H 41 9.039 9.039 8.617 0.422 19447 835 1 8 . 1 1 42 42 LEU N N 42 127.681 127.681 125.556 2.125 19447 836 1 8 . 1 1 42 42 LEU H H 42 9.032 9.032 8.842 0.190 19447 837 1 8 . 1 1 43 43 ASN N N 43 126.687 126.687 122.197 4.490 19447 838 1 8 . 1 1 43 43 ASN H H 43 9.582 9.582 9.283 0.299 19447 839 1 8 . 1 1 44 44 GLY N N 44 104.039 104.039 103.654 0.385 19447 840 1 8 . 1 1 44 44 GLY H H 44 8.984 8.984 8.504 0.480 19447 841 1 8 . 1 1 45 45 ARG N N 45 120.104 120.104 122.638 -2.534 19447 842 1 8 . 1 1 45 45 ARG H H 45 7.714 7.714 7.798 -0.084 19447 843 1 8 . 1 1 46 46 ARG N N 46 121.840 121.840 126.965 -5.125 19447 844 1 8 . 1 1 46 46 ARG H H 46 8.565 8.565 8.806 -0.241 19447 845 1 8 . 1 1 47 47 GLY N N 47 109.692 109.692 113.665 -3.973 19447 846 1 8 . 1 1 47 47 GLY H H 47 8.662 8.662 8.585 0.077 19447 847 1 8 . 1 1 48 48 MET N N 48 117.200 117.200 120.312 -3.112 19447 848 1 8 . 1 1 48 48 MET H H 48 8.861 8.861 8.244 0.617 19447 849 1 8 . 1 1 49 49 PHE N N 49 116.718 116.718 118.926 -2.208 19447 850 1 8 . 1 1 49 49 PHE H H 49 8.829 8.829 8.336 0.493 19447 851 1 8 . 1 1 51 51 ASP N N 51 120.485 120.485 124.497 -4.012 19447 852 1 8 . 1 1 51 51 ASP H H 51 8.176 8.176 8.473 -0.297 19447 853 1 8 . 1 1 52 52 ASN N N 52 110.040 110.040 117.425 -7.385 19447 854 1 8 . 1 1 52 52 ASN H H 52 8.721 8.721 8.737 -0.016 19447 855 1 8 . 1 1 53 53 PHE N N 53 117.961 117.961 115.682 2.279 19447 856 1 8 . 1 1 53 53 PHE H H 53 7.536 7.536 7.746 -0.210 19447 857 1 8 . 1 1 54 54 VAL N N 54 109.981 109.981 114.459 -4.478 19447 858 1 8 . 1 1 54 54 VAL H H 54 7.464 7.464 7.540 -0.076 19447 859 1 8 . 1 1 55 55 LYS N N 55 120.357 120.357 124.159 -3.802 19447 860 1 8 . 1 1 55 55 LYS H H 55 9.156 9.156 8.758 0.398 19447 861 1 8 . 1 1 56 56 GLU N N 56 128.689 128.689 123.070 5.619 19447 862 1 8 . 1 1 56 56 GLU H H 56 8.677 8.677 8.703 -0.026 19447 863 1 8 . 1 1 57 57 ILE N N 57 127.140 127.140 123.885 3.255 19447 864 1 8 . 1 1 57 57 ILE H H 57 8.440 8.440 7.269 1.171 19447 865 1 9 . 1 1 3 3 ASP N N 3 128.606 128.606 123.748 4.858 19447 866 1 9 . 1 1 3 3 ASP H H 3 9.215 9.215 8.208 1.007 19447 867 1 9 . 1 1 4 4 TYR N N 4 120.150 120.150 115.889 4.261 19447 868 1 9 . 1 1 4 4 TYR H H 4 9.324 9.324 8.549 0.775 19447 869 1 9 . 1 1 5 5 ILE N N 5 119.250 119.250 120.966 -1.716 19447 870 1 9 . 1 1 5 5 ILE H H 5 9.418 9.418 9.051 0.367 19447 871 1 9 . 1 1 6 6 VAL N N 6 126.150 126.150 130.403 -4.253 19447 872 1 9 . 1 1 6 6 VAL H H 6 8.531 8.531 8.444 0.087 19447 873 1 9 . 1 1 7 7 GLU N N 7 129.289 129.289 128.290 0.999 19447 874 1 9 . 1 1 7 7 GLU H H 7 9.240 9.240 8.839 0.401 19447 875 1 9 . 1 1 8 8 TYR N N 8 117.500 117.500 123.008 -5.508 19447 876 1 9 . 1 1 8 8 TYR H H 8 7.725 7.725 7.839 -0.114 19447 877 1 9 . 1 1 9 9 ASP N N 9 118.964 118.964 121.129 -2.165 19447 878 1 9 . 1 1 9 9 ASP H H 9 8.026 8.026 8.622 -0.596 19447 879 1 9 . 1 1 10 10 TYR N N 10 118.310 118.310 126.121 -7.811 19447 880 1 9 . 1 1 10 10 TYR H H 10 8.134 8.134 8.793 -0.659 19447 881 1 9 . 1 1 11 11 ASP N N 11 128.419 128.419 126.854 1.565 19447 882 1 9 . 1 1 11 11 ASP H H 11 7.807 7.807 8.052 -0.245 19447 883 1 9 . 1 1 12 12 ALA N N 12 123.084 123.084 125.961 -2.877 19447 884 1 9 . 1 1 12 12 ALA H H 12 7.785 7.785 8.297 -0.512 19447 885 1 9 . 1 1 13 13 VAL N N 13 118.591 118.591 122.580 -3.989 19447 886 1 9 . 1 1 13 13 VAL H H 13 8.517 8.517 8.486 0.031 19447 887 1 9 . 1 1 14 14 HIS N N 14 115.145 115.145 116.667 -1.522 19447 888 1 9 . 1 1 14 14 HIS H H 14 7.049 7.049 7.696 -0.647 19447 889 1 9 . 1 1 15 15 ASP N N 15 120.695 120.695 120.388 0.307 19447 890 1 9 . 1 1 15 15 ASP H H 15 8.823 8.823 8.834 -0.011 19447 891 1 9 . 1 1 16 16 ASP N N 16 115.886 115.886 115.346 0.540 19447 892 1 9 . 1 1 16 16 ASP H H 16 8.444 8.444 8.786 -0.342 19447 893 1 9 . 1 1 17 17 GLU N N 17 119.643 119.643 119.172 0.471 19447 894 1 9 . 1 1 17 17 GLU H H 17 7.762 7.762 7.570 0.192 19447 895 1 9 . 1 1 18 18 LEU N N 18 120.686 120.686 124.951 -4.265 19447 896 1 9 . 1 1 18 18 LEU H H 18 8.924 8.924 8.921 0.003 19447 897 1 9 . 1 1 19 19 THR N N 19 117.228 117.228 117.777 -0.549 19447 898 1 9 . 1 1 19 19 THR H H 19 7.462 7.462 8.344 -0.882 19447 899 1 9 . 1 1 20 20 ILE N N 20 121.475 121.475 124.438 -2.963 19447 900 1 9 . 1 1 20 20 ILE H H 20 9.269 9.269 8.057 1.212 19447 901 1 9 . 1 1 21 21 ARG N N 21 124.941 124.941 124.583 0.358 19447 902 1 9 . 1 1 21 21 ARG H H 21 8.809 8.809 8.688 0.121 19447 903 1 9 . 1 1 22 22 VAL N N 22 118.300 118.300 122.085 -3.785 19447 904 1 9 . 1 1 22 22 VAL H H 22 7.994 7.994 8.285 -0.291 19447 905 1 9 . 1 1 23 23 GLY N N 23 114.572 114.572 115.150 -0.578 19447 906 1 9 . 1 1 23 23 GLY H H 23 8.690 8.690 8.630 0.060 19447 907 1 9 . 1 1 24 24 GLU N N 24 120.005 120.005 123.024 -3.019 19447 908 1 9 . 1 1 24 24 GLU H H 24 8.076 8.076 8.171 -0.095 19447 909 1 9 . 1 1 25 25 ILE N N 25 119.376 119.376 120.542 -1.166 19447 910 1 9 . 1 1 25 25 ILE H H 25 7.972 7.972 8.199 -0.227 19447 911 1 9 . 1 1 26 26 ILE N N 26 128.357 128.357 126.358 1.999 19447 912 1 9 . 1 1 26 26 ILE H H 26 9.321 9.321 8.258 1.063 19447 913 1 9 . 1 1 27 27 ARG N N 27 123.620 123.620 128.857 -5.237 19447 914 1 9 . 1 1 27 27 ARG H H 27 8.655 8.655 8.842 -0.187 19447 915 1 9 . 1 1 28 28 ASN N N 28 117.452 117.452 116.932 0.520 19447 916 1 9 . 1 1 28 28 ASN H H 28 8.608 8.608 8.875 -0.267 19447 917 1 9 . 1 1 29 29 VAL N N 29 120.580 120.580 119.957 0.623 19447 918 1 9 . 1 1 29 29 VAL H H 29 8.661 8.661 8.199 0.462 19447 919 1 9 . 1 1 30 30 LYS N N 30 127.372 127.372 128.849 -1.477 19447 920 1 9 . 1 1 30 30 LYS H H 30 9.384 9.384 9.075 0.309 19447 921 1 9 . 1 1 31 31 LYS N N 31 121.810 121.810 124.849 -3.039 19447 922 1 9 . 1 1 31 31 LYS H H 31 8.493 8.493 8.657 -0.164 19447 923 1 9 . 1 1 32 32 LEU N N 32 123.341 123.341 125.663 -2.322 19447 924 1 9 . 1 1 32 32 LEU H H 32 7.653 7.653 8.135 -0.482 19447 925 1 9 . 1 1 33 33 GLN N N 33 118.368 118.368 117.948 0.420 19447 926 1 9 . 1 1 33 33 GLN H H 33 8.435 8.435 8.414 0.021 19447 927 1 9 . 1 1 34 34 GLU N N 34 119.345 119.345 118.705 0.640 19447 928 1 9 . 1 1 34 34 GLU H H 34 7.336 7.336 7.846 -0.510 19447 929 1 9 . 1 1 35 35 GLU N N 35 126.251 126.251 125.236 1.015 19447 930 1 9 . 1 1 35 35 GLU H H 35 8.352 8.352 8.984 -0.632 19447 931 1 9 . 1 1 36 36 GLY N N 36 111.344 111.344 112.681 -1.337 19447 932 1 9 . 1 1 36 36 GLY H H 36 8.510 8.510 8.694 -0.184 19447 933 1 9 . 1 1 37 37 TRP N N 37 119.200 119.200 120.154 -0.954 19447 934 1 9 . 1 1 37 37 TRP H H 37 7.727 7.727 7.796 -0.069 19447 935 1 9 . 1 1 38 38 LEU N N 38 123.025 123.025 122.566 0.459 19447 936 1 9 . 1 1 38 38 LEU H H 38 8.402 8.402 8.495 -0.093 19447 937 1 9 . 1 1 39 39 GLU N N 39 117.576 117.576 120.440 -2.864 19447 938 1 9 . 1 1 39 39 GLU H H 39 8.457 8.457 8.711 -0.254 19447 939 1 9 . 1 1 40 40 GLY N N 40 110.793 110.793 111.309 -0.516 19447 940 1 9 . 1 1 40 40 GLY H H 40 8.765 8.765 8.226 0.539 19447 941 1 9 . 1 1 41 41 GLU N N 41 118.958 118.958 120.598 -1.640 19447 942 1 9 . 1 1 41 41 GLU H H 41 9.039 9.039 8.585 0.454 19447 943 1 9 . 1 1 42 42 LEU N N 42 127.681 127.681 127.883 -0.202 19447 944 1 9 . 1 1 42 42 LEU H H 42 9.032 9.032 8.966 0.066 19447 945 1 9 . 1 1 43 43 ASN N N 43 126.687 126.687 125.173 1.514 19447 946 1 9 . 1 1 43 43 ASN H H 43 9.582 9.582 9.258 0.324 19447 947 1 9 . 1 1 44 44 GLY N N 44 104.039 104.039 103.925 0.114 19447 948 1 9 . 1 1 44 44 GLY H H 44 8.984 8.984 8.525 0.459 19447 949 1 9 . 1 1 45 45 ARG N N 45 120.104 120.104 120.316 -0.212 19447 950 1 9 . 1 1 45 45 ARG H H 45 7.714 7.714 7.762 -0.048 19447 951 1 9 . 1 1 46 46 ARG N N 46 121.840 121.840 126.793 -4.953 19447 952 1 9 . 1 1 46 46 ARG H H 46 8.565 8.565 8.679 -0.114 19447 953 1 9 . 1 1 47 47 GLY N N 47 109.692 109.692 111.732 -2.040 19447 954 1 9 . 1 1 47 47 GLY H H 47 8.662 8.662 8.772 -0.110 19447 955 1 9 . 1 1 48 48 MET N N 48 117.200 117.200 119.886 -2.686 19447 956 1 9 . 1 1 48 48 MET H H 48 8.861 8.861 8.728 0.133 19447 957 1 9 . 1 1 49 49 PHE N N 49 116.718 116.718 116.883 -0.165 19447 958 1 9 . 1 1 49 49 PHE H H 49 8.829 8.829 8.403 0.426 19447 959 1 9 . 1 1 51 51 ASP N N 51 120.485 120.485 124.201 -3.716 19447 960 1 9 . 1 1 51 51 ASP H H 51 8.176 8.176 8.103 0.073 19447 961 1 9 . 1 1 52 52 ASN N N 52 110.040 110.040 116.146 -6.106 19447 962 1 9 . 1 1 52 52 ASN H H 52 8.721 8.721 8.737 -0.016 19447 963 1 9 . 1 1 53 53 PHE N N 53 117.961 117.961 113.235 4.726 19447 964 1 9 . 1 1 53 53 PHE H H 53 7.536 7.536 7.630 -0.094 19447 965 1 9 . 1 1 54 54 VAL N N 54 109.981 109.981 115.550 -5.569 19447 966 1 9 . 1 1 54 54 VAL H H 54 7.464 7.464 7.444 0.020 19447 967 1 9 . 1 1 55 55 LYS N N 55 120.357 120.357 124.842 -4.485 19447 968 1 9 . 1 1 55 55 LYS H H 55 9.156 9.156 8.701 0.455 19447 969 1 9 . 1 1 56 56 GLU N N 56 128.689 128.689 124.413 4.276 19447 970 1 9 . 1 1 56 56 GLU H H 56 8.677 8.677 8.610 0.067 19447 971 1 9 . 1 1 57 57 ILE N N 57 127.140 127.140 123.297 3.843 19447 972 1 9 . 1 1 57 57 ILE H H 57 8.440 8.440 7.463 0.977 19447 973 1 10 . 1 1 3 3 ASP N N 3 128.606 128.606 120.858 7.748 19447 974 1 10 . 1 1 3 3 ASP H H 3 9.215 9.215 7.881 1.334 19447 975 1 10 . 1 1 4 4 TYR N N 4 120.150 120.150 119.493 0.657 19447 976 1 10 . 1 1 4 4 TYR H H 4 9.324 9.324 8.726 0.598 19447 977 1 10 . 1 1 5 5 ILE N N 5 119.250 119.250 121.441 -2.191 19447 978 1 10 . 1 1 5 5 ILE H H 5 9.418 9.418 9.009 0.409 19447 979 1 10 . 1 1 6 6 VAL N N 6 126.150 126.150 130.036 -3.886 19447 980 1 10 . 1 1 6 6 VAL H H 6 8.531 8.531 8.542 -0.011 19447 981 1 10 . 1 1 7 7 GLU N N 7 129.289 129.289 128.366 0.923 19447 982 1 10 . 1 1 7 7 GLU H H 7 9.240 9.240 8.597 0.643 19447 983 1 10 . 1 1 8 8 TYR N N 8 117.500 117.500 122.217 -4.717 19447 984 1 10 . 1 1 8 8 TYR H H 8 7.725 7.725 7.820 -0.095 19447 985 1 10 . 1 1 9 9 ASP N N 9 118.964 118.964 120.591 -1.627 19447 986 1 10 . 1 1 9 9 ASP H H 9 8.026 8.026 8.687 -0.661 19447 987 1 10 . 1 1 10 10 TYR N N 10 118.310 118.310 125.172 -6.862 19447 988 1 10 . 1 1 10 10 TYR H H 10 8.134 8.134 8.922 -0.788 19447 989 1 10 . 1 1 11 11 ASP N N 11 128.419 128.419 124.285 4.134 19447 990 1 10 . 1 1 11 11 ASP H H 11 7.807 7.807 7.935 -0.128 19447 991 1 10 . 1 1 12 12 ALA N N 12 123.084 123.084 125.818 -2.734 19447 992 1 10 . 1 1 12 12 ALA H H 12 7.785 7.785 7.898 -0.113 19447 993 1 10 . 1 1 13 13 VAL N N 13 118.591 118.591 116.826 1.765 19447 994 1 10 . 1 1 13 13 VAL H H 13 8.517 8.517 8.087 0.430 19447 995 1 10 . 1 1 14 14 HIS N N 14 115.145 115.145 118.532 -3.387 19447 996 1 10 . 1 1 14 14 HIS H H 14 7.049 7.049 7.470 -0.421 19447 997 1 10 . 1 1 15 15 ASP N N 15 120.695 120.695 120.253 0.442 19447 998 1 10 . 1 1 15 15 ASP H H 15 8.823 8.823 7.529 1.294 19447 999 1 10 . 1 1 16 16 ASP N N 16 115.886 115.886 118.226 -2.340 19447 1000 1 10 . 1 1 16 16 ASP H H 16 8.444 8.444 8.105 0.339 19447 1001 1 10 . 1 1 17 17 GLU N N 17 119.643 119.643 118.491 1.152 19447 1002 1 10 . 1 1 17 17 GLU H H 17 7.762 7.762 7.537 0.225 19447 1003 1 10 . 1 1 18 18 LEU N N 18 120.686 120.686 126.363 -5.677 19447 1004 1 10 . 1 1 18 18 LEU H H 18 8.924 8.924 9.223 -0.299 19447 1005 1 10 . 1 1 19 19 THR N N 19 117.228 117.228 121.621 -4.393 19447 1006 1 10 . 1 1 19 19 THR H H 19 7.462 7.462 8.460 -0.998 19447 1007 1 10 . 1 1 20 20 ILE N N 20 121.475 121.475 123.818 -2.343 19447 1008 1 10 . 1 1 20 20 ILE H H 20 9.269 9.269 8.191 1.078 19447 1009 1 10 . 1 1 21 21 ARG N N 21 124.941 124.941 124.746 0.195 19447 1010 1 10 . 1 1 21 21 ARG H H 21 8.809 8.809 8.821 -0.012 19447 1011 1 10 . 1 1 22 22 VAL N N 22 118.300 118.300 119.456 -1.156 19447 1012 1 10 . 1 1 22 22 VAL H H 22 7.994 7.994 8.280 -0.286 19447 1013 1 10 . 1 1 23 23 GLY N N 23 114.572 114.572 115.930 -1.358 19447 1014 1 10 . 1 1 23 23 GLY H H 23 8.690 8.690 8.543 0.147 19447 1015 1 10 . 1 1 24 24 GLU N N 24 120.005 120.005 123.469 -3.464 19447 1016 1 10 . 1 1 24 24 GLU H H 24 8.076 8.076 8.211 -0.135 19447 1017 1 10 . 1 1 25 25 ILE N N 25 119.376 119.376 121.450 -2.074 19447 1018 1 10 . 1 1 25 25 ILE H H 25 7.972 7.972 8.198 -0.226 19447 1019 1 10 . 1 1 26 26 ILE N N 26 128.357 128.357 125.534 2.823 19447 1020 1 10 . 1 1 26 26 ILE H H 26 9.321 9.321 8.176 1.145 19447 1021 1 10 . 1 1 27 27 ARG N N 27 123.620 123.620 128.698 -5.078 19447 1022 1 10 . 1 1 27 27 ARG H H 27 8.655 8.655 8.789 -0.134 19447 1023 1 10 . 1 1 28 28 ASN N N 28 117.452 117.452 118.756 -1.304 19447 1024 1 10 . 1 1 28 28 ASN H H 28 8.608 8.608 8.884 -0.276 19447 1025 1 10 . 1 1 29 29 VAL N N 29 120.580 120.580 119.581 0.999 19447 1026 1 10 . 1 1 29 29 VAL H H 29 8.661 8.661 8.437 0.224 19447 1027 1 10 . 1 1 30 30 LYS N N 30 127.372 127.372 128.825 -1.453 19447 1028 1 10 . 1 1 30 30 LYS H H 30 9.384 9.384 9.118 0.266 19447 1029 1 10 . 1 1 31 31 LYS N N 31 121.810 121.810 125.177 -3.367 19447 1030 1 10 . 1 1 31 31 LYS H H 31 8.493 8.493 8.650 -0.157 19447 1031 1 10 . 1 1 32 32 LEU N N 32 123.341 123.341 124.892 -1.551 19447 1032 1 10 . 1 1 32 32 LEU H H 32 7.653 7.653 7.884 -0.231 19447 1033 1 10 . 1 1 33 33 GLN N N 33 118.368 118.368 117.738 0.630 19447 1034 1 10 . 1 1 33 33 GLN H H 33 8.435 8.435 8.425 0.010 19447 1035 1 10 . 1 1 34 34 GLU N N 34 119.345 119.345 120.953 -1.608 19447 1036 1 10 . 1 1 34 34 GLU H H 34 7.336 7.336 8.068 -0.732 19447 1037 1 10 . 1 1 35 35 GLU N N 35 126.251 126.251 126.005 0.246 19447 1038 1 10 . 1 1 35 35 GLU H H 35 8.352 8.352 8.925 -0.573 19447 1039 1 10 . 1 1 36 36 GLY N N 36 111.344 111.344 114.581 -3.237 19447 1040 1 10 . 1 1 36 36 GLY H H 36 8.510 8.510 8.919 -0.409 19447 1041 1 10 . 1 1 37 37 TRP N N 37 119.200 119.200 122.163 -2.963 19447 1042 1 10 . 1 1 37 37 TRP H H 37 7.727 7.727 7.783 -0.056 19447 1043 1 10 . 1 1 38 38 LEU N N 38 123.025 123.025 125.086 -2.061 19447 1044 1 10 . 1 1 38 38 LEU H H 38 8.402 8.402 8.779 -0.377 19447 1045 1 10 . 1 1 39 39 GLU N N 39 117.576 117.576 118.969 -1.393 19447 1046 1 10 . 1 1 39 39 GLU H H 39 8.457 8.457 8.512 -0.055 19447 1047 1 10 . 1 1 40 40 GLY N N 40 110.793 110.793 108.446 2.347 19447 1048 1 10 . 1 1 40 40 GLY H H 40 8.765 8.765 8.167 0.598 19447 1049 1 10 . 1 1 41 41 GLU N N 41 118.958 118.958 121.071 -2.113 19447 1050 1 10 . 1 1 41 41 GLU H H 41 9.039 9.039 8.557 0.482 19447 1051 1 10 . 1 1 42 42 LEU N N 42 127.681 127.681 128.116 -0.435 19447 1052 1 10 . 1 1 42 42 LEU H H 42 9.032 9.032 8.829 0.203 19447 1053 1 10 . 1 1 43 43 ASN N N 43 126.687 126.687 124.080 2.607 19447 1054 1 10 . 1 1 43 43 ASN H H 43 9.582 9.582 9.325 0.257 19447 1055 1 10 . 1 1 44 44 GLY N N 44 104.039 104.039 102.282 1.757 19447 1056 1 10 . 1 1 44 44 GLY H H 44 8.984 8.984 8.531 0.453 19447 1057 1 10 . 1 1 45 45 ARG N N 45 120.104 120.104 122.580 -2.476 19447 1058 1 10 . 1 1 45 45 ARG H H 45 7.714 7.714 7.685 0.029 19447 1059 1 10 . 1 1 46 46 ARG N N 46 121.840 121.840 124.989 -3.149 19447 1060 1 10 . 1 1 46 46 ARG H H 46 8.565 8.565 8.822 -0.257 19447 1061 1 10 . 1 1 47 47 GLY N N 47 109.692 109.692 110.022 -0.330 19447 1062 1 10 . 1 1 47 47 GLY H H 47 8.662 8.662 8.785 -0.123 19447 1063 1 10 . 1 1 48 48 MET N N 48 117.200 117.200 119.473 -2.273 19447 1064 1 10 . 1 1 48 48 MET H H 48 8.861 8.861 8.605 0.256 19447 1065 1 10 . 1 1 49 49 PHE N N 49 116.718 116.718 116.646 0.072 19447 1066 1 10 . 1 1 49 49 PHE H H 49 8.829 8.829 8.632 0.197 19447 1067 1 10 . 1 1 51 51 ASP N N 51 120.485 120.485 124.523 -4.038 19447 1068 1 10 . 1 1 51 51 ASP H H 51 8.176 8.176 8.394 -0.218 19447 1069 1 10 . 1 1 52 52 ASN N N 52 110.040 110.040 117.520 -7.480 19447 1070 1 10 . 1 1 52 52 ASN H H 52 8.721 8.721 8.736 -0.015 19447 1071 1 10 . 1 1 53 53 PHE N N 53 117.961 117.961 115.320 2.641 19447 1072 1 10 . 1 1 53 53 PHE H H 53 7.536 7.536 7.696 -0.160 19447 1073 1 10 . 1 1 54 54 VAL N N 54 109.981 109.981 115.349 -5.368 19447 1074 1 10 . 1 1 54 54 VAL H H 54 7.464 7.464 7.583 -0.119 19447 1075 1 10 . 1 1 55 55 LYS N N 55 120.357 120.357 125.055 -4.698 19447 1076 1 10 . 1 1 55 55 LYS H H 55 9.156 9.156 8.668 0.488 19447 1077 1 10 . 1 1 56 56 GLU N N 56 128.689 128.689 124.483 4.206 19447 1078 1 10 . 1 1 56 56 GLU H H 56 8.677 8.677 8.637 0.040 19447 1079 1 10 . 1 1 57 57 ILE N N 57 127.140 127.140 124.954 2.186 19447 1080 1 10 . 1 1 57 57 ILE H H 57 8.440 8.440 7.679 0.761 19447 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 54 3.237 1.388 2.952 19447 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19447 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19447 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19447 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19447 6 1 1 "Average Difference" HN 54 0.460 -0.115 0.449 19447 7 1 2 "Average Difference" N 54 2.977 0.938 2.852 19447 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19447 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19447 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19447 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19447 12 1 2 "Average Difference" HN 54 0.448 -0.063 0.447 19447 13 1 3 "Average Difference" N 54 3.009 0.941 2.885 19447 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19447 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19447 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19447 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19447 18 1 3 "Average Difference" HN 54 0.455 -0.075 0.453 19447 19 1 4 "Average Difference" N 54 3.341 1.054 3.201 19447 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19447 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19447 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19447 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19447 24 1 4 "Average Difference" HN 54 0.468 -0.127 0.455 19447 25 1 5 "Average Difference" N 54 3.057 1.466 2.708 19447 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19447 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19447 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19447 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19447 30 1 5 "Average Difference" HN 54 0.520 -0.119 0.511 19447 31 1 6 "Average Difference" N 54 3.069 1.017 2.923 19447 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19447 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19447 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19447 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19447 36 1 6 "Average Difference" HN 54 0.501 -0.129 0.489 19447 37 1 7 "Average Difference" N 54 2.984 0.879 2.879 19447 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19447 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19447 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19447 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19447 42 1 7 "Average Difference" HN 54 0.403 -0.068 0.401 19447 43 1 8 "Average Difference" N 54 3.399 1.402 3.125 19447 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19447 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19447 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19447 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19447 48 1 8 "Average Difference" HN 54 0.487 -0.047 0.490 19447 49 1 9 "Average Difference" N 54 3.050 1.151 2.851 19447 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19447 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19447 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19447 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19447 54 1 9 "Average Difference" HN 54 0.448 -0.042 0.450 19447 55 1 10 "Average Difference" N 54 3.193 1.242 2.970 19447 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19447 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19447 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19447 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19447 60 1 10 "Average Difference" HN 54 0.495 -0.071 0.494 19447 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 19447 _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 3 3 ASP N N 3 128.606 128.606 121.614 6.992 19447 2 1 . 1 1 3 3 ASP H H 3 9.215 9.215 8.118 1.097 19447 3 1 . 1 1 4 4 TYR N N 4 120.150 120.150 119.879 0.271 19447 4 1 . 1 1 4 4 TYR H H 4 9.324 9.324 8.518 0.806 19447 5 1 . 1 1 5 5 ILE N N 5 119.250 119.250 120.693 -1.443 19447 6 1 . 1 1 5 5 ILE H H 5 9.418 9.418 8.995 0.423 19447 7 1 . 1 1 6 6 VAL N N 6 126.150 126.150 127.739 -1.589 19447 8 1 . 1 1 6 6 VAL H H 6 8.531 8.531 8.629 -0.098 19447 9 1 . 1 1 7 7 GLU N N 7 129.289 129.289 128.864 0.425 19447 10 1 . 1 1 7 7 GLU H H 7 9.240 9.240 8.673 0.567 19447 11 1 . 1 1 8 8 TYR N N 8 117.500 117.500 123.033 -5.533 19447 12 1 . 1 1 8 8 TYR H H 8 7.725 7.725 7.762 -0.037 19447 13 1 . 1 1 9 9 ASP N N 9 118.964 118.964 120.498 -1.534 19447 14 1 . 1 1 9 9 ASP H H 9 8.026 8.026 8.335 -0.309 19447 15 1 . 1 1 10 10 TYR N N 10 118.310 118.310 124.351 -6.041 19447 16 1 . 1 1 10 10 TYR H H 10 8.134 8.134 8.350 -0.216 19447 17 1 . 1 1 11 11 ASP N N 11 128.419 128.419 124.570 3.849 19447 18 1 . 1 1 11 11 ASP H H 11 7.807 7.807 7.991 -0.184 19447 19 1 . 1 1 12 12 ALA N N 12 123.084 123.084 125.810 -2.726 19447 20 1 . 1 1 12 12 ALA H H 12 7.785 7.785 8.198 -0.413 19447 21 1 . 1 1 13 13 VAL N N 13 118.591 118.591 119.889 -1.298 19447 22 1 . 1 1 13 13 VAL H H 13 8.517 8.517 8.288 0.229 19447 23 1 . 1 1 14 14 HIS N N 14 115.145 115.145 117.773 -2.628 19447 24 1 . 1 1 14 14 HIS H H 14 7.049 7.049 7.630 -0.581 19447 25 1 . 1 1 15 15 ASP N N 15 120.695 120.695 120.865 -0.170 19447 26 1 . 1 1 15 15 ASP H H 15 8.823 8.823 8.458 0.365 19447 27 1 . 1 1 16 16 ASP N N 16 115.886 115.886 116.525 -0.639 19447 28 1 . 1 1 16 16 ASP H H 16 8.444 8.444 8.430 0.014 19447 29 1 . 1 1 17 17 GLU N N 17 119.643 119.643 119.101 0.542 19447 30 1 . 1 1 17 17 GLU H H 17 7.762 7.762 7.444 0.318 19447 31 1 . 1 1 18 18 LEU N N 18 120.686 120.686 125.162 -4.476 19447 32 1 . 1 1 18 18 LEU H H 18 8.924 8.924 8.946 -0.022 19447 33 1 . 1 1 19 19 THR N N 19 117.228 117.228 119.598 -2.370 19447 34 1 . 1 1 19 19 THR H H 19 7.462 7.462 8.388 -0.926 19447 35 1 . 1 1 20 20 ILE N N 20 121.475 121.475 123.449 -1.974 19447 36 1 . 1 1 20 20 ILE H H 20 9.269 9.269 8.160 1.109 19447 37 1 . 1 1 21 21 ARG N N 21 124.941 124.941 124.943 -0.002 19447 38 1 . 1 1 21 21 ARG H H 21 8.809 8.809 8.593 0.215 19447 39 1 . 1 1 22 22 VAL N N 22 118.300 118.300 120.720 -2.420 19447 40 1 . 1 1 22 22 VAL H H 22 7.994 7.994 8.301 -0.307 19447 41 1 . 1 1 23 23 GLY N N 23 114.572 114.572 115.374 -0.802 19447 42 1 . 1 1 23 23 GLY H H 23 8.690 8.690 8.548 0.142 19447 43 1 . 1 1 24 24 GLU N N 24 120.005 120.005 122.651 -2.646 19447 44 1 . 1 1 24 24 GLU H H 24 8.076 8.076 8.187 -0.111 19447 45 1 . 1 1 25 25 ILE N N 25 119.376 119.376 121.817 -2.441 19447 46 1 . 1 1 25 25 ILE H H 25 7.972 7.972 8.254 -0.282 19447 47 1 . 1 1 26 26 ILE N N 26 128.357 128.357 126.655 1.702 19447 48 1 . 1 1 26 26 ILE H H 26 9.321 9.321 8.471 0.850 19447 49 1 . 1 1 27 27 ARG N N 27 123.620 123.620 127.679 -4.059 19447 50 1 . 1 1 27 27 ARG H H 27 8.655 8.655 8.803 -0.148 19447 51 1 . 1 1 28 28 ASN N N 28 117.452 117.452 117.782 -0.330 19447 52 1 . 1 1 28 28 ASN H H 28 8.608 8.608 8.821 -0.213 19447 53 1 . 1 1 29 29 VAL N N 29 120.580 120.580 118.867 1.713 19447 54 1 . 1 1 29 29 VAL H H 29 8.661 8.661 8.122 0.539 19447 55 1 . 1 1 30 30 LYS N N 30 127.372 127.372 127.805 -0.433 19447 56 1 . 1 1 30 30 LYS H H 30 9.384 9.384 8.934 0.450 19447 57 1 . 1 1 31 31 LYS N N 31 121.810 121.810 125.132 -3.322 19447 58 1 . 1 1 31 31 LYS H H 31 8.493 8.493 8.622 -0.129 19447 59 1 . 1 1 32 32 LEU N N 32 123.341 123.341 126.261 -2.920 19447 60 1 . 1 1 32 32 LEU H H 32 7.653 7.653 7.991 -0.338 19447 61 1 . 1 1 33 33 GLN N N 33 118.368 118.368 117.889 0.479 19447 62 1 . 1 1 33 33 GLN H H 33 8.435 8.435 8.450 -0.015 19447 63 1 . 1 1 34 34 GLU N N 34 119.345 119.345 119.534 -0.189 19447 64 1 . 1 1 34 34 GLU H H 34 7.336 7.336 7.983 -0.647 19447 65 1 . 1 1 35 35 GLU N N 35 126.251 126.251 125.751 0.500 19447 66 1 . 1 1 35 35 GLU H H 35 8.352 8.352 8.895 -0.543 19447 67 1 . 1 1 36 36 GLY N N 36 111.344 111.344 112.959 -1.615 19447 68 1 . 1 1 36 36 GLY H H 36 8.510 8.510 8.749 -0.239 19447 69 1 . 1 1 37 37 TRP N N 37 119.200 119.200 121.452 -2.252 19447 70 1 . 1 1 37 37 TRP H H 37 7.727 7.727 7.755 -0.028 19447 71 1 . 1 1 38 38 LEU N N 38 123.025 123.025 122.808 0.217 19447 72 1 . 1 1 38 38 LEU H H 38 8.402 8.402 8.537 -0.135 19447 73 1 . 1 1 39 39 GLU N N 39 117.576 117.576 120.206 -2.630 19447 74 1 . 1 1 39 39 GLU H H 39 8.457 8.457 8.499 -0.042 19447 75 1 . 1 1 40 40 GLY N N 40 110.793 110.793 111.279 -0.486 19447 76 1 . 1 1 40 40 GLY H H 40 8.765 8.765 8.367 0.398 19447 77 1 . 1 1 41 41 GLU N N 41 118.958 118.958 120.346 -1.389 19447 78 1 . 1 1 41 41 GLU H H 41 9.039 9.039 8.519 0.520 19447 79 1 . 1 1 42 42 LEU N N 42 127.681 127.681 126.565 1.116 19447 80 1 . 1 1 42 42 LEU H H 42 9.032 9.032 8.813 0.219 19447 81 1 . 1 1 43 43 ASN N N 43 126.687 126.687 124.122 2.564 19447 82 1 . 1 1 43 43 ASN H H 43 9.582 9.582 9.292 0.290 19447 83 1 . 1 1 44 44 GLY N N 44 104.039 104.039 103.459 0.580 19447 84 1 . 1 1 44 44 GLY H H 44 8.984 8.984 8.518 0.466 19447 85 1 . 1 1 45 45 ARG N N 45 120.104 120.104 121.030 -0.926 19447 86 1 . 1 1 45 45 ARG H H 45 7.714 7.714 7.720 -0.006 19447 87 1 . 1 1 46 46 ARG N N 46 121.840 121.840 126.582 -4.742 19447 88 1 . 1 1 46 46 ARG H H 46 8.565 8.565 8.755 -0.190 19447 89 1 . 1 1 47 47 GLY N N 47 109.692 109.692 111.303 -1.611 19447 90 1 . 1 1 47 47 GLY H H 47 8.662 8.662 8.775 -0.113 19447 91 1 . 1 1 48 48 MET N N 48 117.200 117.200 119.374 -2.173 19447 92 1 . 1 1 48 48 MET H H 48 8.861 8.861 8.682 0.179 19447 93 1 . 1 1 49 49 PHE N N 49 116.718 116.718 116.673 0.045 19447 94 1 . 1 1 49 49 PHE H H 49 8.829 8.829 8.513 0.316 19447 95 1 . 1 1 51 51 ASP N N 51 120.485 120.485 123.781 -3.296 19447 96 1 . 1 1 51 51 ASP H H 51 8.176 8.176 8.258 -0.082 19447 97 1 . 1 1 52 52 ASN N N 52 110.040 110.040 116.238 -6.198 19447 98 1 . 1 1 52 52 ASN H H 52 8.721 8.721 8.479 0.242 19447 99 1 . 1 1 53 53 PHE N N 53 117.961 117.961 114.850 3.111 19447 100 1 . 1 1 53 53 PHE H H 53 7.536 7.536 7.447 0.090 19447 101 1 . 1 1 54 54 VAL N N 54 109.981 109.981 116.543 -6.562 19447 102 1 . 1 1 54 54 VAL H H 54 7.464 7.464 7.519 -0.054 19447 103 1 . 1 1 55 55 LYS N N 55 120.357 120.357 125.252 -4.895 19447 104 1 . 1 1 55 55 LYS H H 55 9.156 9.156 8.783 0.373 19447 105 1 . 1 1 56 56 GLU N N 56 128.689 128.689 125.112 3.577 19447 106 1 . 1 1 56 56 GLU H H 56 8.677 8.677 8.605 0.072 19447 107 1 . 1 1 57 57 ILE N N 57 127.140 127.140 126.045 1.095 19447 108 1 . 1 1 57 57 ILE H H 57 8.440 8.440 7.698 0.743 19447 stop_ save_