data_18737 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18737 _Entry.PDB_ID 2LZ6 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 18737 _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 2 122.408 122.408 123.288 -0.880 18737 2 1 1 . 1 1 2 2 GLN H H 2 8.945 8.945 8.456 0.489 18737 3 1 1 . 1 1 3 3 ILE N N 3 114.615 114.615 116.389 -1.774 18737 4 1 1 . 1 1 3 3 ILE H H 3 8.299 8.299 8.054 0.245 18737 5 1 1 . 1 1 4 4 PHE N N 4 118.379 118.379 121.986 -3.607 18737 6 1 1 . 1 1 4 4 PHE H H 4 8.579 8.579 8.988 -0.409 18737 7 1 1 . 1 1 5 5 VAL N N 5 120.954 120.954 122.948 -1.994 18737 8 1 1 . 1 1 5 5 VAL H H 5 9.296 9.296 8.977 0.319 18737 9 1 1 . 1 1 6 6 LYS N N 6 127.447 127.447 128.934 -1.487 18737 10 1 1 . 1 1 6 6 LYS H H 6 8.879 8.879 8.347 0.532 18737 11 1 1 . 1 1 7 7 THR N N 7 115.299 115.299 114.639 0.660 18737 12 1 1 . 1 1 7 7 THR H H 7 8.744 8.744 7.939 0.805 18737 13 1 1 . 1 1 8 8 LEU N N 8 120.685 120.685 120.945 -0.260 18737 14 1 1 . 1 1 8 8 LEU H H 8 9.034 9.034 9.010 0.024 18737 15 1 1 . 1 1 9 9 THR N N 9 105.749 105.749 111.366 -5.617 18737 16 1 1 . 1 1 9 9 THR H H 9 7.669 7.669 7.570 0.099 18737 17 1 1 . 1 1 10 10 GLY N N 10 108.810 108.810 108.445 0.365 18737 18 1 1 . 1 1 10 10 GLY H H 10 7.833 7.833 7.550 0.283 18737 19 1 1 . 1 1 11 11 LYS N N 11 121.383 121.383 121.656 -0.273 18737 20 1 1 . 1 1 11 11 LYS H H 11 7.259 7.259 7.796 -0.537 18737 21 1 1 . 1 1 12 12 THR N N 12 120.278 120.278 118.535 1.743 18737 22 1 1 . 1 1 12 12 THR H H 12 8.651 8.651 8.246 0.405 18737 23 1 1 . 1 1 13 13 ILE N N 13 127.477 127.477 126.824 0.653 18737 24 1 1 . 1 1 13 13 ILE H H 13 9.540 9.540 8.510 1.030 18737 25 1 1 . 1 1 14 14 THR N N 14 121.613 121.613 118.083 3.530 18737 26 1 1 . 1 1 14 14 THR H H 14 8.750 8.750 8.430 0.320 18737 27 1 1 . 1 1 15 15 LEU N N 15 124.946 124.946 122.204 2.742 18737 28 1 1 . 1 1 15 15 LEU H H 15 8.729 8.729 8.297 0.432 18737 29 1 1 . 1 1 16 16 GLU N N 16 122.227 122.227 124.459 -2.232 18737 30 1 1 . 1 1 16 16 GLU H H 16 8.141 8.141 8.447 -0.306 18737 31 1 1 . 1 1 17 17 VAL N N 17 117.285 117.285 120.956 -3.671 18737 32 1 1 . 1 1 17 17 VAL H H 17 8.941 8.941 7.881 1.060 18737 33 1 1 . 1 1 18 18 GLU N N 18 118.997 118.997 125.574 -6.577 18737 34 1 1 . 1 1 18 18 GLU H H 18 8.659 8.659 8.448 0.211 18737 35 1 1 . 1 1 20 20 SER N N 20 103.080 103.080 110.699 -7.619 18737 36 1 1 . 1 1 20 20 SER H H 20 7.035 7.035 8.207 -1.172 18737 37 1 1 . 1 1 21 21 ASP N N 21 123.134 123.134 123.992 -0.858 18737 38 1 1 . 1 1 21 21 ASP H H 21 8.003 8.003 7.559 0.444 18737 39 1 1 . 1 1 22 22 THR N N 22 108.684 108.684 112.324 -3.640 18737 40 1 1 . 1 1 22 22 THR H H 22 7.893 7.893 8.125 -0.232 18737 41 1 1 . 1 1 23 23 ILE N N 23 120.936 120.936 123.990 -3.054 18737 42 1 1 . 1 1 23 23 ILE H H 23 8.543 8.543 8.965 -0.422 18737 43 1 1 . 1 1 24 24 GLU N N 24 120.830 120.830 120.193 0.637 18737 44 1 1 . 1 1 24 24 GLU H H 24 9.760 9.760 8.101 1.659 18737 45 1 1 . 1 1 25 25 ASN N N 25 121.026 121.026 117.720 3.306 18737 46 1 1 . 1 1 25 25 ASN H H 25 7.927 7.927 7.542 0.385 18737 47 1 1 . 1 1 26 26 VAL N N 26 121.828 121.828 120.335 1.493 18737 48 1 1 . 1 1 26 26 VAL H H 26 8.103 8.103 8.057 0.046 18737 49 1 1 . 1 1 27 27 LYS N N 27 118.641 118.641 119.319 -0.678 18737 50 1 1 . 1 1 27 27 LYS H H 27 8.577 8.577 8.102 0.475 18737 51 1 1 . 1 1 28 28 ALA N N 28 123.566 123.566 122.129 1.437 18737 52 1 1 . 1 1 28 28 ALA H H 28 8.055 8.055 7.665 0.390 18737 53 1 1 . 1 1 29 29 LYS N N 29 119.910 119.910 119.229 0.681 18737 54 1 1 . 1 1 29 29 LYS H H 29 7.873 7.873 7.742 0.131 18737 55 1 1 . 1 1 30 30 ILE N N 30 120.937 120.937 119.877 1.060 18737 56 1 1 . 1 1 30 30 ILE H H 30 8.262 8.262 8.194 0.068 18737 57 1 1 . 1 1 31 31 GLN N N 31 123.250 123.250 119.418 3.832 18737 58 1 1 . 1 1 31 31 GLN H H 31 8.572 8.572 8.219 0.353 18737 59 1 1 . 1 1 32 32 ASP N N 32 119.468 119.468 118.767 0.701 18737 60 1 1 . 1 1 32 32 ASP H H 32 8.052 8.052 7.645 0.407 18737 61 1 1 . 1 1 33 33 LYS N N 33 115.157 115.157 119.035 -3.878 18737 62 1 1 . 1 1 33 33 LYS H H 33 7.447 7.447 7.471 -0.024 18737 63 1 1 . 1 1 34 34 GLU N N 34 113.856 113.856 117.349 -3.493 18737 64 1 1 . 1 1 34 34 GLU H H 34 8.719 8.719 8.264 0.455 18737 65 1 1 . 1 1 35 35 GLY N N 35 108.551 108.551 107.360 1.191 18737 66 1 1 . 1 1 35 35 GLY H H 35 8.507 8.507 7.748 0.759 18737 67 1 1 . 1 1 36 36 ILE N N 36 119.943 119.943 117.520 2.423 18737 68 1 1 . 1 1 36 36 ILE H H 36 6.147 6.147 7.645 -1.498 18737 69 1 1 . 1 1 39 39 ASP N N 39 113.228 113.228 116.480 -3.252 18737 70 1 1 . 1 1 39 39 ASP H H 39 8.540 8.540 8.705 -0.165 18737 71 1 1 . 1 1 40 40 GLN N N 40 116.604 116.604 116.402 0.202 18737 72 1 1 . 1 1 40 40 GLN H H 40 7.761 7.761 7.455 0.306 18737 73 1 1 . 1 1 41 41 GLN N N 41 117.236 117.236 119.370 -2.134 18737 74 1 1 . 1 1 41 41 GLN H H 41 7.438 7.438 7.323 0.115 18737 75 1 1 . 1 1 42 42 ARG N N 42 122.253 122.253 122.892 -0.639 18737 76 1 1 . 1 1 42 42 ARG H H 42 8.381 8.381 8.234 0.147 18737 77 1 1 . 1 1 43 43 LEU N N 43 123.939 123.939 126.568 -2.629 18737 78 1 1 . 1 1 43 43 LEU H H 43 8.873 8.873 8.799 0.074 18737 79 1 1 . 1 1 44 44 ILE N N 44 122.126 122.126 123.821 -1.695 18737 80 1 1 . 1 1 44 44 ILE H H 44 9.147 9.147 9.073 0.074 18737 81 1 1 . 1 1 45 45 PHE N N 45 125.527 125.527 126.691 -1.164 18737 82 1 1 . 1 1 45 45 PHE H H 45 8.895 8.895 9.088 -0.193 18737 83 1 1 . 1 1 46 46 ALA N N 46 132.646 132.646 129.612 3.034 18737 84 1 1 . 1 1 46 46 ALA H H 46 9.033 9.033 8.577 0.456 18737 85 1 1 . 1 1 47 47 GLY N N 47 102.802 102.802 102.902 -0.100 18737 86 1 1 . 1 1 47 47 GLY H H 47 8.265 8.265 8.347 -0.082 18737 87 1 1 . 1 1 48 48 LYS N N 48 121.141 121.141 121.940 -0.799 18737 88 1 1 . 1 1 48 48 LYS H H 48 7.956 7.956 7.686 0.270 18737 89 1 1 . 1 1 49 49 GLN N N 49 122.737 122.737 122.420 0.317 18737 90 1 1 . 1 1 49 49 GLN H H 49 8.693 8.693 8.493 0.200 18737 91 1 1 . 1 1 50 50 LEU N N 50 125.580 125.580 124.873 0.707 18737 92 1 1 . 1 1 50 50 LEU H H 50 8.575 8.575 8.243 0.332 18737 93 1 1 . 1 1 51 51 GLU N N 51 122.984 122.984 123.583 -0.599 18737 94 1 1 . 1 1 51 51 GLU H H 51 8.406 8.406 8.342 0.064 18737 95 1 1 . 1 1 52 52 ASP N N 52 120.142 120.142 127.675 -7.533 18737 96 1 1 . 1 1 52 52 ASP H H 52 8.163 8.163 8.818 -0.655 18737 97 1 1 . 1 1 53 53 GLY N N 53 108.221 108.221 104.583 3.638 18737 98 1 1 . 1 1 53 53 GLY H H 53 8.290 8.290 8.391 -0.101 18737 99 1 1 . 1 1 54 54 ARG N N 54 119.053 119.053 120.424 -1.371 18737 100 1 1 . 1 1 54 54 ARG H H 54 7.487 7.487 8.019 -0.532 18737 101 1 1 . 1 1 55 55 THR N N 55 108.479 108.479 111.225 -2.746 18737 102 1 1 . 1 1 55 55 THR H H 55 8.833 8.833 8.690 0.143 18737 103 1 1 . 1 1 56 56 LEU N N 56 117.731 117.731 122.192 -4.461 18737 104 1 1 . 1 1 56 56 LEU H H 56 8.141 8.141 8.678 -0.537 18737 105 1 1 . 1 1 57 57 SER N N 57 113.175 113.175 115.134 -1.959 18737 106 1 1 . 1 1 57 57 SER H H 57 8.493 8.493 8.027 0.466 18737 107 1 1 . 1 1 58 58 ASP N N 58 124.176 124.176 123.704 0.472 18737 108 1 1 . 1 1 58 58 ASP H H 58 7.937 7.937 8.294 -0.357 18737 109 1 1 . 1 1 59 59 TYR N N 59 115.426 115.426 115.269 0.157 18737 110 1 1 . 1 1 59 59 TYR H H 59 7.264 7.264 7.680 -0.416 18737 111 1 1 . 1 1 60 60 ASN N N 60 115.641 115.641 117.596 -1.955 18737 112 1 1 . 1 1 60 60 ASN H H 60 8.155 8.155 7.637 0.518 18737 113 1 1 . 1 1 61 61 ILE N N 61 118.537 118.537 120.767 -2.230 18737 114 1 1 . 1 1 61 61 ILE H H 61 7.229 7.229 8.300 -1.071 18737 115 1 1 . 1 1 62 62 GLN N N 62 124.612 124.612 125.843 -1.231 18737 116 1 1 . 1 1 62 62 GLN H H 62 7.632 7.632 8.237 -0.605 18737 117 1 1 . 1 1 63 63 LYS N N 63 120.190 120.190 119.927 0.263 18737 118 1 1 . 1 1 63 63 LYS H H 63 8.495 8.495 8.586 -0.091 18737 119 1 1 . 1 1 64 64 GLU N N 64 114.252 114.252 119.167 -4.915 18737 120 1 1 . 1 1 64 64 GLU H H 64 9.302 9.302 8.450 0.852 18737 121 1 1 . 1 1 65 65 SER N N 65 114.586 114.586 113.086 1.500 18737 122 1 1 . 1 1 65 65 SER H H 65 7.654 7.654 7.406 0.248 18737 123 1 1 . 1 1 66 66 THR N N 66 117.176 117.176 117.327 -0.151 18737 124 1 1 . 1 1 66 66 THR H H 66 8.735 8.735 8.645 0.090 18737 125 1 1 . 1 1 67 67 LEU N N 67 127.152 127.152 130.606 -3.454 18737 126 1 1 . 1 1 67 67 LEU H H 67 9.359 9.359 9.115 0.244 18737 127 1 1 . 1 1 68 68 HIS N N 68 118.492 118.492 124.869 -6.377 18737 128 1 1 . 1 1 68 68 HIS H H 68 9.111 9.111 8.622 0.489 18737 129 1 1 . 1 1 69 69 LEU N N 69 125.249 125.249 131.163 -5.914 18737 130 1 1 . 1 1 69 69 LEU H H 69 8.721 8.721 8.151 0.570 18737 131 1 1 . 1 1 70 70 VAL N N 70 126.564 126.564 128.191 -1.627 18737 132 1 1 . 1 1 70 70 VAL H H 70 9.191 9.191 8.877 0.314 18737 133 1 1 . 1 1 71 71 LEU N N 71 123.127 123.127 126.548 -3.421 18737 134 1 1 . 1 1 71 71 LEU H H 71 8.065 8.065 8.345 -0.280 18737 135 1 1 . 1 1 72 72 ARG N N 72 123.576 123.576 124.269 -0.693 18737 136 1 1 . 1 1 72 72 ARG H H 72 8.737 8.737 8.865 -0.128 18737 137 1 1 . 1 1 73 73 LEU N N 73 123.544 123.544 124.634 -1.090 18737 138 1 1 . 1 1 73 73 LEU H H 73 8.288 8.288 8.526 -0.238 18737 139 1 1 . 1 1 74 74 ARG N N 74 121.620 121.620 125.378 -3.758 18737 140 1 1 . 1 1 74 74 ARG H H 74 8.486 8.486 8.281 0.205 18737 141 1 1 . 1 1 75 75 GLY N N 75 109.865 109.865 108.670 1.195 18737 142 1 1 . 1 1 75 75 GLY H H 75 8.479 8.479 8.178 0.301 18737 143 1 2 . 1 1 2 2 GLN N N 2 122.408 122.408 118.913 3.495 18737 144 1 2 . 1 1 2 2 GLN H H 2 8.945 8.945 8.370 0.575 18737 145 1 2 . 1 1 3 3 ILE N N 3 114.615 114.615 114.417 0.198 18737 146 1 2 . 1 1 3 3 ILE H H 3 8.299 8.299 8.412 -0.113 18737 147 1 2 . 1 1 4 4 PHE N N 4 118.379 118.379 120.316 -1.937 18737 148 1 2 . 1 1 4 4 PHE H H 4 8.579 8.579 9.071 -0.492 18737 149 1 2 . 1 1 5 5 VAL N N 5 120.954 120.954 121.803 -0.849 18737 150 1 2 . 1 1 5 5 VAL H H 5 9.296 9.296 8.854 0.442 18737 151 1 2 . 1 1 6 6 LYS N N 6 127.447 127.447 128.102 -0.655 18737 152 1 2 . 1 1 6 6 LYS H H 6 8.879 8.879 8.543 0.336 18737 153 1 2 . 1 1 7 7 THR N N 7 115.299 115.299 116.541 -1.242 18737 154 1 2 . 1 1 7 7 THR H H 7 8.744 8.744 8.463 0.281 18737 155 1 2 . 1 1 8 8 LEU N N 8 120.685 120.685 122.117 -1.432 18737 156 1 2 . 1 1 8 8 LEU H H 8 9.034 9.034 8.602 0.432 18737 157 1 2 . 1 1 9 9 THR N N 9 105.749 105.749 106.770 -1.021 18737 158 1 2 . 1 1 9 9 THR H H 9 7.669 7.669 7.669 0.000 18737 159 1 2 . 1 1 10 10 GLY N N 10 108.810 108.810 110.263 -1.453 18737 160 1 2 . 1 1 10 10 GLY H H 10 7.833 7.833 7.850 -0.017 18737 161 1 2 . 1 1 11 11 LYS N N 11 121.383 121.383 122.685 -1.302 18737 162 1 2 . 1 1 11 11 LYS H H 11 7.259 7.259 7.650 -0.391 18737 163 1 2 . 1 1 12 12 THR N N 12 120.278 120.278 119.870 0.408 18737 164 1 2 . 1 1 12 12 THR H H 12 8.651 8.651 8.347 0.304 18737 165 1 2 . 1 1 13 13 ILE N N 13 127.477 127.477 127.618 -0.141 18737 166 1 2 . 1 1 13 13 ILE H H 13 9.540 9.540 9.058 0.482 18737 167 1 2 . 1 1 14 14 THR N N 14 121.613 121.613 120.571 1.042 18737 168 1 2 . 1 1 14 14 THR H H 14 8.750 8.750 8.189 0.561 18737 169 1 2 . 1 1 15 15 LEU N N 15 124.946 124.946 125.791 -0.845 18737 170 1 2 . 1 1 15 15 LEU H H 15 8.729 8.729 8.659 0.070 18737 171 1 2 . 1 1 16 16 GLU N N 16 122.227 122.227 122.384 -0.157 18737 172 1 2 . 1 1 16 16 GLU H H 16 8.141 8.141 8.524 -0.383 18737 173 1 2 . 1 1 17 17 VAL N N 17 117.285 117.285 121.321 -4.036 18737 174 1 2 . 1 1 17 17 VAL H H 17 8.941 8.941 7.952 0.989 18737 175 1 2 . 1 1 18 18 GLU N N 18 118.997 118.997 125.286 -6.289 18737 176 1 2 . 1 1 18 18 GLU H H 18 8.659 8.659 8.227 0.432 18737 177 1 2 . 1 1 20 20 SER N N 20 103.080 103.080 111.851 -8.771 18737 178 1 2 . 1 1 20 20 SER H H 20 7.035 7.035 7.933 -0.898 18737 179 1 2 . 1 1 21 21 ASP N N 21 123.134 123.134 119.756 3.378 18737 180 1 2 . 1 1 21 21 ASP H H 21 8.003 8.003 7.355 0.648 18737 181 1 2 . 1 1 22 22 THR N N 22 108.684 108.684 115.549 -6.865 18737 182 1 2 . 1 1 22 22 THR H H 22 7.893 7.893 8.511 -0.618 18737 183 1 2 . 1 1 23 23 ILE N N 23 120.936 120.936 123.882 -2.946 18737 184 1 2 . 1 1 23 23 ILE H H 23 8.543 8.543 8.967 -0.424 18737 185 1 2 . 1 1 24 24 GLU N N 24 120.830 120.830 120.110 0.720 18737 186 1 2 . 1 1 24 24 GLU H H 24 9.760 9.760 8.196 1.564 18737 187 1 2 . 1 1 25 25 ASN N N 25 121.026 121.026 117.840 3.186 18737 188 1 2 . 1 1 25 25 ASN H H 25 7.927 7.927 7.570 0.357 18737 189 1 2 . 1 1 26 26 VAL N N 26 121.828 121.828 120.601 1.227 18737 190 1 2 . 1 1 26 26 VAL H H 26 8.103 8.103 8.256 -0.153 18737 191 1 2 . 1 1 27 27 LYS N N 27 118.641 118.641 119.635 -0.994 18737 192 1 2 . 1 1 27 27 LYS H H 27 8.577 8.577 8.168 0.409 18737 193 1 2 . 1 1 28 28 ALA N N 28 123.566 123.566 121.681 1.885 18737 194 1 2 . 1 1 28 28 ALA H H 28 8.055 8.055 7.868 0.187 18737 195 1 2 . 1 1 29 29 LYS N N 29 119.910 119.910 119.600 0.310 18737 196 1 2 . 1 1 29 29 LYS H H 29 7.873 7.873 7.506 0.367 18737 197 1 2 . 1 1 30 30 ILE N N 30 120.937 120.937 120.763 0.174 18737 198 1 2 . 1 1 30 30 ILE H H 30 8.262 8.262 8.205 0.057 18737 199 1 2 . 1 1 31 31 GLN N N 31 123.250 123.250 119.886 3.364 18737 200 1 2 . 1 1 31 31 GLN H H 31 8.572 8.572 8.406 0.166 18737 201 1 2 . 1 1 32 32 ASP N N 32 119.468 119.468 117.971 1.497 18737 202 1 2 . 1 1 32 32 ASP H H 32 8.052 8.052 7.841 0.211 18737 203 1 2 . 1 1 33 33 LYS N N 33 115.157 115.157 119.103 -3.946 18737 204 1 2 . 1 1 33 33 LYS H H 33 7.447 7.447 7.441 0.006 18737 205 1 2 . 1 1 34 34 GLU N N 34 113.856 113.856 116.792 -2.936 18737 206 1 2 . 1 1 34 34 GLU H H 34 8.719 8.719 8.411 0.308 18737 207 1 2 . 1 1 35 35 GLY N N 35 108.551 108.551 106.745 1.806 18737 208 1 2 . 1 1 35 35 GLY H H 35 8.507 8.507 7.807 0.700 18737 209 1 2 . 1 1 36 36 ILE N N 36 119.943 119.943 121.779 -1.836 18737 210 1 2 . 1 1 36 36 ILE H H 36 6.147 6.147 7.605 -1.458 18737 211 1 2 . 1 1 39 39 ASP N N 39 113.228 113.228 114.552 -1.324 18737 212 1 2 . 1 1 39 39 ASP H H 39 8.540 8.540 8.687 -0.147 18737 213 1 2 . 1 1 40 40 GLN N N 40 116.604 116.604 117.845 -1.241 18737 214 1 2 . 1 1 40 40 GLN H H 40 7.761 7.761 7.692 0.069 18737 215 1 2 . 1 1 41 41 GLN N N 41 117.236 117.236 120.342 -3.106 18737 216 1 2 . 1 1 41 41 GLN H H 41 7.438 7.438 7.487 -0.049 18737 217 1 2 . 1 1 42 42 ARG N N 42 122.253 122.253 121.207 1.046 18737 218 1 2 . 1 1 42 42 ARG H H 42 8.381 8.381 8.659 -0.278 18737 219 1 2 . 1 1 43 43 LEU N N 43 123.939 123.939 121.158 2.781 18737 220 1 2 . 1 1 43 43 LEU H H 43 8.873 8.873 8.223 0.650 18737 221 1 2 . 1 1 44 44 ILE N N 44 122.126 122.126 121.719 0.407 18737 222 1 2 . 1 1 44 44 ILE H H 44 9.147 9.147 8.229 0.918 18737 223 1 2 . 1 1 45 45 PHE N N 45 125.527 125.527 127.413 -1.886 18737 224 1 2 . 1 1 45 45 PHE H H 45 8.895 8.895 7.948 0.947 18737 225 1 2 . 1 1 46 46 ALA N N 46 132.646 132.646 128.403 4.243 18737 226 1 2 . 1 1 46 46 ALA H H 46 9.033 9.033 8.985 0.048 18737 227 1 2 . 1 1 47 47 GLY N N 47 102.802 102.802 102.920 -0.118 18737 228 1 2 . 1 1 47 47 GLY H H 47 8.265 8.265 8.021 0.244 18737 229 1 2 . 1 1 48 48 LYS N N 48 121.141 121.141 122.274 -1.133 18737 230 1 2 . 1 1 48 48 LYS H H 48 7.956 7.956 8.180 -0.224 18737 231 1 2 . 1 1 49 49 GLN N N 49 122.737 122.737 119.414 3.323 18737 232 1 2 . 1 1 49 49 GLN H H 49 8.693 8.693 8.301 0.392 18737 233 1 2 . 1 1 50 50 LEU N N 50 125.580 125.580 128.253 -2.673 18737 234 1 2 . 1 1 50 50 LEU H H 50 8.575 8.575 8.266 0.309 18737 235 1 2 . 1 1 51 51 GLU N N 51 122.984 122.984 124.589 -1.605 18737 236 1 2 . 1 1 51 51 GLU H H 51 8.406 8.406 8.299 0.107 18737 237 1 2 . 1 1 52 52 ASP N N 52 120.142 120.142 127.415 -7.273 18737 238 1 2 . 1 1 52 52 ASP H H 52 8.163 8.163 8.862 -0.699 18737 239 1 2 . 1 1 53 53 GLY N N 53 108.221 108.221 107.868 0.353 18737 240 1 2 . 1 1 53 53 GLY H H 53 8.290 8.290 8.285 0.005 18737 241 1 2 . 1 1 54 54 ARG N N 54 119.053 119.053 119.617 -0.564 18737 242 1 2 . 1 1 54 54 ARG H H 54 7.487 7.487 7.941 -0.454 18737 243 1 2 . 1 1 55 55 THR N N 55 108.479 108.479 112.521 -4.042 18737 244 1 2 . 1 1 55 55 THR H H 55 8.833 8.833 7.905 0.928 18737 245 1 2 . 1 1 56 56 LEU N N 56 117.731 117.731 124.184 -6.453 18737 246 1 2 . 1 1 56 56 LEU H H 56 8.141 8.141 8.741 -0.600 18737 247 1 2 . 1 1 57 57 SER N N 57 113.175 113.175 113.881 -0.706 18737 248 1 2 . 1 1 57 57 SER H H 57 8.493 8.493 8.165 0.328 18737 249 1 2 . 1 1 58 58 ASP N N 58 124.176 124.176 122.253 1.923 18737 250 1 2 . 1 1 58 58 ASP H H 58 7.937 7.937 7.839 0.098 18737 251 1 2 . 1 1 59 59 TYR N N 59 115.426 115.426 115.388 0.038 18737 252 1 2 . 1 1 59 59 TYR H H 59 7.264 7.264 7.274 -0.010 18737 253 1 2 . 1 1 60 60 ASN N N 60 115.641 115.641 117.429 -1.788 18737 254 1 2 . 1 1 60 60 ASN H H 60 8.155 8.155 7.664 0.491 18737 255 1 2 . 1 1 61 61 ILE N N 61 118.537 118.537 120.001 -1.464 18737 256 1 2 . 1 1 61 61 ILE H H 61 7.229 7.229 8.133 -0.904 18737 257 1 2 . 1 1 62 62 GLN N N 62 124.612 124.612 125.316 -0.704 18737 258 1 2 . 1 1 62 62 GLN H H 62 7.632 7.632 8.453 -0.821 18737 259 1 2 . 1 1 63 63 LYS N N 63 120.190 120.190 118.706 1.484 18737 260 1 2 . 1 1 63 63 LYS H H 63 8.495 8.495 8.503 -0.008 18737 261 1 2 . 1 1 64 64 GLU N N 64 114.252 114.252 118.392 -4.140 18737 262 1 2 . 1 1 64 64 GLU H H 64 9.302 9.302 8.636 0.666 18737 263 1 2 . 1 1 65 65 SER N N 65 114.586 114.586 113.394 1.192 18737 264 1 2 . 1 1 65 65 SER H H 65 7.654 7.654 7.751 -0.097 18737 265 1 2 . 1 1 66 66 THR N N 66 117.176 117.176 121.009 -3.833 18737 266 1 2 . 1 1 66 66 THR H H 66 8.735 8.735 8.584 0.151 18737 267 1 2 . 1 1 67 67 LEU N N 67 127.152 127.152 128.752 -1.600 18737 268 1 2 . 1 1 67 67 LEU H H 67 9.359 9.359 8.754 0.605 18737 269 1 2 . 1 1 68 68 HIS N N 68 118.492 118.492 124.278 -5.786 18737 270 1 2 . 1 1 68 68 HIS H H 68 9.111 9.111 8.406 0.705 18737 271 1 2 . 1 1 69 69 LEU N N 69 125.249 125.249 128.175 -2.926 18737 272 1 2 . 1 1 69 69 LEU H H 69 8.721 8.721 7.923 0.798 18737 273 1 2 . 1 1 70 70 VAL N N 70 126.564 126.564 116.974 9.590 18737 274 1 2 . 1 1 70 70 VAL H H 70 9.191 9.191 7.895 1.296 18737 275 1 2 . 1 1 71 71 LEU N N 71 123.127 123.127 128.533 -5.406 18737 276 1 2 . 1 1 71 71 LEU H H 71 8.065 8.065 8.403 -0.338 18737 277 1 2 . 1 1 72 72 ARG N N 72 123.576 123.576 121.421 2.155 18737 278 1 2 . 1 1 72 72 ARG H H 72 8.737 8.737 7.861 0.876 18737 279 1 2 . 1 1 73 73 LEU N N 73 123.544 123.544 126.306 -2.762 18737 280 1 2 . 1 1 73 73 LEU H H 73 8.288 8.288 8.721 -0.433 18737 281 1 2 . 1 1 74 74 ARG N N 74 121.620 121.620 119.950 1.670 18737 282 1 2 . 1 1 74 74 ARG H H 74 8.486 8.486 8.387 0.099 18737 283 1 2 . 1 1 75 75 GLY N N 75 109.865 109.865 107.338 2.527 18737 284 1 2 . 1 1 75 75 GLY H H 75 8.479 8.479 8.456 0.023 18737 285 1 3 . 1 1 2 2 GLN N N 2 122.408 122.408 121.788 0.620 18737 286 1 3 . 1 1 2 2 GLN H H 2 8.945 8.945 8.440 0.505 18737 287 1 3 . 1 1 3 3 ILE N N 3 114.615 114.615 114.028 0.587 18737 288 1 3 . 1 1 3 3 ILE H H 3 8.299 8.299 7.918 0.381 18737 289 1 3 . 1 1 4 4 PHE N N 4 118.379 118.379 122.249 -3.870 18737 290 1 3 . 1 1 4 4 PHE H H 4 8.579 8.579 9.281 -0.702 18737 291 1 3 . 1 1 5 5 VAL N N 5 120.954 120.954 123.503 -2.549 18737 292 1 3 . 1 1 5 5 VAL H H 5 9.296 9.296 9.048 0.248 18737 293 1 3 . 1 1 6 6 LYS N N 6 127.447 127.447 128.519 -1.072 18737 294 1 3 . 1 1 6 6 LYS H H 6 8.879 8.879 8.619 0.260 18737 295 1 3 . 1 1 7 7 THR N N 7 115.299 115.299 110.585 4.714 18737 296 1 3 . 1 1 7 7 THR H H 7 8.744 8.744 7.932 0.812 18737 297 1 3 . 1 1 8 8 LEU N N 8 120.685 120.685 120.007 0.678 18737 298 1 3 . 1 1 8 8 LEU H H 8 9.034 9.034 8.980 0.054 18737 299 1 3 . 1 1 9 9 THR N N 9 105.749 105.749 108.056 -2.307 18737 300 1 3 . 1 1 9 9 THR H H 9 7.669 7.669 7.617 0.052 18737 301 1 3 . 1 1 10 10 GLY N N 10 108.810 108.810 111.307 -2.497 18737 302 1 3 . 1 1 10 10 GLY H H 10 7.833 7.833 7.742 0.091 18737 303 1 3 . 1 1 11 11 LYS N N 11 121.383 121.383 122.467 -1.084 18737 304 1 3 . 1 1 11 11 LYS H H 11 7.259 7.259 8.034 -0.775 18737 305 1 3 . 1 1 12 12 THR N N 12 120.278 120.278 117.427 2.851 18737 306 1 3 . 1 1 12 12 THR H H 12 8.651 8.651 8.173 0.478 18737 307 1 3 . 1 1 13 13 ILE N N 13 127.477 127.477 121.563 5.914 18737 308 1 3 . 1 1 13 13 ILE H H 13 9.540 9.540 8.284 1.256 18737 309 1 3 . 1 1 14 14 THR N N 14 121.613 121.613 121.061 0.552 18737 310 1 3 . 1 1 14 14 THR H H 14 8.750 8.750 8.281 0.469 18737 311 1 3 . 1 1 15 15 LEU N N 15 124.946 124.946 126.480 -1.534 18737 312 1 3 . 1 1 15 15 LEU H H 15 8.729 8.729 8.641 0.088 18737 313 1 3 . 1 1 16 16 GLU N N 16 122.227 122.227 122.056 0.171 18737 314 1 3 . 1 1 16 16 GLU H H 16 8.141 8.141 8.570 -0.429 18737 315 1 3 . 1 1 17 17 VAL N N 17 117.285 117.285 120.320 -3.035 18737 316 1 3 . 1 1 17 17 VAL H H 17 8.941 8.941 8.191 0.750 18737 317 1 3 . 1 1 18 18 GLU N N 18 118.997 118.997 118.184 0.813 18737 318 1 3 . 1 1 18 18 GLU H H 18 8.659 8.659 8.524 0.135 18737 319 1 3 . 1 1 20 20 SER N N 20 103.080 103.080 111.121 -8.041 18737 320 1 3 . 1 1 20 20 SER H H 20 7.035 7.035 8.073 -1.038 18737 321 1 3 . 1 1 21 21 ASP N N 21 123.134 123.134 121.265 1.869 18737 322 1 3 . 1 1 21 21 ASP H H 21 8.003 8.003 7.479 0.524 18737 323 1 3 . 1 1 22 22 THR N N 22 108.684 108.684 113.701 -5.017 18737 324 1 3 . 1 1 22 22 THR H H 22 7.893 7.893 8.214 -0.321 18737 325 1 3 . 1 1 23 23 ILE N N 23 120.936 120.936 124.374 -3.438 18737 326 1 3 . 1 1 23 23 ILE H H 23 8.543 8.543 8.850 -0.307 18737 327 1 3 . 1 1 24 24 GLU N N 24 120.830 120.830 120.171 0.659 18737 328 1 3 . 1 1 24 24 GLU H H 24 9.760 9.760 8.101 1.659 18737 329 1 3 . 1 1 25 25 ASN N N 25 121.026 121.026 118.340 2.686 18737 330 1 3 . 1 1 25 25 ASN H H 25 7.927 7.927 7.593 0.334 18737 331 1 3 . 1 1 26 26 VAL N N 26 121.828 121.828 120.596 1.232 18737 332 1 3 . 1 1 26 26 VAL H H 26 8.103 8.103 8.104 -0.001 18737 333 1 3 . 1 1 27 27 LYS N N 27 118.641 118.641 119.296 -0.655 18737 334 1 3 . 1 1 27 27 LYS H H 27 8.577 8.577 7.937 0.640 18737 335 1 3 . 1 1 28 28 ALA N N 28 123.566 123.566 121.942 1.624 18737 336 1 3 . 1 1 28 28 ALA H H 28 8.055 8.055 7.623 0.432 18737 337 1 3 . 1 1 29 29 LYS N N 29 119.910 119.910 119.128 0.782 18737 338 1 3 . 1 1 29 29 LYS H H 29 7.873 7.873 7.777 0.096 18737 339 1 3 . 1 1 30 30 ILE N N 30 120.937 120.937 120.261 0.676 18737 340 1 3 . 1 1 30 30 ILE H H 30 8.262 8.262 8.068 0.194 18737 341 1 3 . 1 1 31 31 GLN N N 31 123.250 123.250 120.111 3.139 18737 342 1 3 . 1 1 31 31 GLN H H 31 8.572 8.572 8.211 0.361 18737 343 1 3 . 1 1 32 32 ASP N N 32 119.468 119.468 118.801 0.667 18737 344 1 3 . 1 1 32 32 ASP H H 32 8.052 8.052 7.759 0.293 18737 345 1 3 . 1 1 33 33 LYS N N 33 115.157 115.157 119.618 -4.461 18737 346 1 3 . 1 1 33 33 LYS H H 33 7.447 7.447 7.509 -0.062 18737 347 1 3 . 1 1 34 34 GLU N N 34 113.856 113.856 117.164 -3.308 18737 348 1 3 . 1 1 34 34 GLU H H 34 8.719 8.719 8.335 0.384 18737 349 1 3 . 1 1 35 35 GLY N N 35 108.551 108.551 106.692 1.859 18737 350 1 3 . 1 1 35 35 GLY H H 35 8.507 8.507 7.929 0.578 18737 351 1 3 . 1 1 36 36 ILE N N 36 119.943 119.943 123.287 -3.344 18737 352 1 3 . 1 1 36 36 ILE H H 36 6.147 6.147 7.838 -1.691 18737 353 1 3 . 1 1 39 39 ASP N N 39 113.228 113.228 115.917 -2.689 18737 354 1 3 . 1 1 39 39 ASP H H 39 8.540 8.540 8.734 -0.194 18737 355 1 3 . 1 1 40 40 GLN N N 40 116.604 116.604 115.858 0.746 18737 356 1 3 . 1 1 40 40 GLN H H 40 7.761 7.761 7.647 0.114 18737 357 1 3 . 1 1 41 41 GLN N N 41 117.236 117.236 118.994 -1.758 18737 358 1 3 . 1 1 41 41 GLN H H 41 7.438 7.438 7.083 0.355 18737 359 1 3 . 1 1 42 42 ARG N N 42 122.253 122.253 126.086 -3.833 18737 360 1 3 . 1 1 42 42 ARG H H 42 8.381 8.381 8.241 0.140 18737 361 1 3 . 1 1 43 43 LEU N N 43 123.939 123.939 128.519 -4.580 18737 362 1 3 . 1 1 43 43 LEU H H 43 8.873 8.873 8.865 0.008 18737 363 1 3 . 1 1 44 44 ILE N N 44 122.126 122.126 123.501 -1.375 18737 364 1 3 . 1 1 44 44 ILE H H 44 9.147 9.147 8.767 0.380 18737 365 1 3 . 1 1 45 45 PHE N N 45 125.527 125.527 127.030 -1.503 18737 366 1 3 . 1 1 45 45 PHE H H 45 8.895 8.895 8.969 -0.074 18737 367 1 3 . 1 1 46 46 ALA N N 46 132.646 132.646 129.567 3.079 18737 368 1 3 . 1 1 46 46 ALA H H 46 9.033 9.033 8.804 0.229 18737 369 1 3 . 1 1 47 47 GLY N N 47 102.802 102.802 102.902 -0.100 18737 370 1 3 . 1 1 47 47 GLY H H 47 8.265 8.265 8.303 -0.038 18737 371 1 3 . 1 1 48 48 LYS N N 48 121.141 121.141 121.743 -0.602 18737 372 1 3 . 1 1 48 48 LYS H H 48 7.956 7.956 7.640 0.316 18737 373 1 3 . 1 1 49 49 GLN N N 49 122.737 122.737 122.720 0.017 18737 374 1 3 . 1 1 49 49 GLN H H 49 8.693 8.693 8.506 0.187 18737 375 1 3 . 1 1 50 50 LEU N N 50 125.580 125.580 124.077 1.503 18737 376 1 3 . 1 1 50 50 LEU H H 50 8.575 8.575 8.311 0.264 18737 377 1 3 . 1 1 51 51 GLU N N 51 122.984 122.984 124.131 -1.147 18737 378 1 3 . 1 1 51 51 GLU H H 51 8.406 8.406 8.050 0.356 18737 379 1 3 . 1 1 52 52 ASP N N 52 120.142 120.142 127.650 -7.508 18737 380 1 3 . 1 1 52 52 ASP H H 52 8.163 8.163 8.946 -0.783 18737 381 1 3 . 1 1 53 53 GLY N N 53 108.221 108.221 105.334 2.887 18737 382 1 3 . 1 1 53 53 GLY H H 53 8.290 8.290 8.181 0.109 18737 383 1 3 . 1 1 54 54 ARG N N 54 119.053 119.053 119.742 -0.689 18737 384 1 3 . 1 1 54 54 ARG H H 54 7.487 7.487 8.289 -0.802 18737 385 1 3 . 1 1 55 55 THR N N 55 108.479 108.479 111.093 -2.614 18737 386 1 3 . 1 1 55 55 THR H H 55 8.833 8.833 8.125 0.708 18737 387 1 3 . 1 1 56 56 LEU N N 56 117.731 117.731 121.672 -3.941 18737 388 1 3 . 1 1 56 56 LEU H H 56 8.141 8.141 8.523 -0.382 18737 389 1 3 . 1 1 57 57 SER N N 57 113.175 113.175 114.083 -0.908 18737 390 1 3 . 1 1 57 57 SER H H 57 8.493 8.493 8.237 0.256 18737 391 1 3 . 1 1 58 58 ASP N N 58 124.176 124.176 122.827 1.349 18737 392 1 3 . 1 1 58 58 ASP H H 58 7.937 7.937 8.159 -0.222 18737 393 1 3 . 1 1 59 59 TYR N N 59 115.426 115.426 115.113 0.313 18737 394 1 3 . 1 1 59 59 TYR H H 59 7.264 7.264 7.545 -0.281 18737 395 1 3 . 1 1 60 60 ASN N N 60 115.641 115.641 115.754 -0.113 18737 396 1 3 . 1 1 60 60 ASN H H 60 8.155 8.155 7.770 0.385 18737 397 1 3 . 1 1 61 61 ILE N N 61 118.537 118.537 120.135 -1.598 18737 398 1 3 . 1 1 61 61 ILE H H 61 7.229 7.229 8.153 -0.924 18737 399 1 3 . 1 1 62 62 GLN N N 62 124.612 124.612 126.348 -1.736 18737 400 1 3 . 1 1 62 62 GLN H H 62 7.632 7.632 8.358 -0.726 18737 401 1 3 . 1 1 63 63 LYS N N 63 120.190 120.190 118.775 1.415 18737 402 1 3 . 1 1 63 63 LYS H H 63 8.495 8.495 8.406 0.089 18737 403 1 3 . 1 1 64 64 GLU N N 64 114.252 114.252 115.855 -1.603 18737 404 1 3 . 1 1 64 64 GLU H H 64 9.302 9.302 8.600 0.702 18737 405 1 3 . 1 1 65 65 SER N N 65 114.586 114.586 113.860 0.726 18737 406 1 3 . 1 1 65 65 SER H H 65 7.654 7.654 7.653 0.001 18737 407 1 3 . 1 1 66 66 THR N N 66 117.176 117.176 119.077 -1.901 18737 408 1 3 . 1 1 66 66 THR H H 66 8.735 8.735 8.572 0.163 18737 409 1 3 . 1 1 67 67 LEU N N 67 127.152 127.152 129.920 -2.768 18737 410 1 3 . 1 1 67 67 LEU H H 67 9.359 9.359 9.084 0.275 18737 411 1 3 . 1 1 68 68 HIS N N 68 118.492 118.492 124.725 -6.233 18737 412 1 3 . 1 1 68 68 HIS H H 68 9.111 9.111 8.788 0.323 18737 413 1 3 . 1 1 69 69 LEU N N 69 125.249 125.249 132.055 -6.806 18737 414 1 3 . 1 1 69 69 LEU H H 69 8.721 8.721 8.271 0.450 18737 415 1 3 . 1 1 70 70 VAL N N 70 126.564 126.564 128.678 -2.114 18737 416 1 3 . 1 1 70 70 VAL H H 70 9.191 9.191 8.911 0.280 18737 417 1 3 . 1 1 71 71 LEU N N 71 123.127 123.127 125.295 -2.168 18737 418 1 3 . 1 1 71 71 LEU H H 71 8.065 8.065 8.272 -0.207 18737 419 1 3 . 1 1 72 72 ARG N N 72 123.576 123.576 121.881 1.695 18737 420 1 3 . 1 1 72 72 ARG H H 72 8.737 8.737 8.584 0.153 18737 421 1 3 . 1 1 73 73 LEU N N 73 123.544 123.544 120.568 2.976 18737 422 1 3 . 1 1 73 73 LEU H H 73 8.288 8.288 8.348 -0.060 18737 423 1 3 . 1 1 74 74 ARG N N 74 121.620 121.620 120.823 0.797 18737 424 1 3 . 1 1 74 74 ARG H H 74 8.486 8.486 8.010 0.476 18737 425 1 3 . 1 1 75 75 GLY N N 75 109.865 109.865 115.045 -5.180 18737 426 1 3 . 1 1 75 75 GLY H H 75 8.479 8.479 8.556 -0.077 18737 427 1 4 . 1 1 2 2 GLN N N 2 122.408 122.408 124.740 -2.332 18737 428 1 4 . 1 1 2 2 GLN H H 2 8.945 8.945 8.290 0.655 18737 429 1 4 . 1 1 3 3 ILE N N 3 114.615 114.615 114.526 0.089 18737 430 1 4 . 1 1 3 3 ILE H H 3 8.299 8.299 8.247 0.052 18737 431 1 4 . 1 1 4 4 PHE N N 4 118.379 118.379 120.535 -2.156 18737 432 1 4 . 1 1 4 4 PHE H H 4 8.579 8.579 8.749 -0.170 18737 433 1 4 . 1 1 5 5 VAL N N 5 120.954 120.954 121.284 -0.330 18737 434 1 4 . 1 1 5 5 VAL H H 5 9.296 9.296 8.842 0.454 18737 435 1 4 . 1 1 6 6 LYS N N 6 127.447 127.447 129.053 -1.606 18737 436 1 4 . 1 1 6 6 LYS H H 6 8.879 8.879 8.341 0.538 18737 437 1 4 . 1 1 7 7 THR N N 7 115.299 115.299 121.045 -5.746 18737 438 1 4 . 1 1 7 7 THR H H 7 8.744 8.744 8.173 0.571 18737 439 1 4 . 1 1 8 8 LEU N N 8 120.685 120.685 125.347 -4.662 18737 440 1 4 . 1 1 8 8 LEU H H 8 9.034 9.034 8.684 0.350 18737 441 1 4 . 1 1 9 9 THR N N 9 105.749 105.749 107.817 -2.068 18737 442 1 4 . 1 1 9 9 THR H H 9 7.669 7.669 7.982 -0.313 18737 443 1 4 . 1 1 10 10 GLY N N 10 108.810 108.810 110.550 -1.740 18737 444 1 4 . 1 1 10 10 GLY H H 10 7.833 7.833 7.732 0.101 18737 445 1 4 . 1 1 11 11 LYS N N 11 121.383 121.383 122.560 -1.177 18737 446 1 4 . 1 1 11 11 LYS H H 11 7.259 7.259 7.592 -0.333 18737 447 1 4 . 1 1 12 12 THR N N 12 120.278 120.278 120.659 -0.381 18737 448 1 4 . 1 1 12 12 THR H H 12 8.651 8.651 8.509 0.142 18737 449 1 4 . 1 1 13 13 ILE N N 13 127.477 127.477 122.662 4.815 18737 450 1 4 . 1 1 13 13 ILE H H 13 9.540 9.540 8.566 0.974 18737 451 1 4 . 1 1 14 14 THR N N 14 121.613 121.613 116.687 4.926 18737 452 1 4 . 1 1 14 14 THR H H 14 8.750 8.750 8.319 0.431 18737 453 1 4 . 1 1 15 15 LEU N N 15 124.946 124.946 124.161 0.785 18737 454 1 4 . 1 1 15 15 LEU H H 15 8.729 8.729 8.569 0.160 18737 455 1 4 . 1 1 16 16 GLU N N 16 122.227 122.227 122.622 -0.395 18737 456 1 4 . 1 1 16 16 GLU H H 16 8.141 8.141 8.427 -0.286 18737 457 1 4 . 1 1 17 17 VAL N N 17 117.285 117.285 120.559 -3.274 18737 458 1 4 . 1 1 17 17 VAL H H 17 8.941 8.941 7.975 0.966 18737 459 1 4 . 1 1 18 18 GLU N N 18 118.997 118.997 125.683 -6.686 18737 460 1 4 . 1 1 18 18 GLU H H 18 8.659 8.659 8.362 0.297 18737 461 1 4 . 1 1 20 20 SER N N 20 103.080 103.080 111.711 -8.631 18737 462 1 4 . 1 1 20 20 SER H H 20 7.035 7.035 8.357 -1.322 18737 463 1 4 . 1 1 21 21 ASP N N 21 123.134 123.134 121.083 2.051 18737 464 1 4 . 1 1 21 21 ASP H H 21 8.003 8.003 7.511 0.492 18737 465 1 4 . 1 1 22 22 THR N N 22 108.684 108.684 112.441 -3.757 18737 466 1 4 . 1 1 22 22 THR H H 22 7.893 7.893 8.133 -0.240 18737 467 1 4 . 1 1 23 23 ILE N N 23 120.936 120.936 123.187 -2.251 18737 468 1 4 . 1 1 23 23 ILE H H 23 8.543 8.543 8.930 -0.387 18737 469 1 4 . 1 1 24 24 GLU N N 24 120.830 120.830 120.809 0.021 18737 470 1 4 . 1 1 24 24 GLU H H 24 9.760 9.760 8.434 1.326 18737 471 1 4 . 1 1 25 25 ASN N N 25 121.026 121.026 118.246 2.780 18737 472 1 4 . 1 1 25 25 ASN H H 25 7.927 7.927 7.725 0.202 18737 473 1 4 . 1 1 26 26 VAL N N 26 121.828 121.828 120.504 1.324 18737 474 1 4 . 1 1 26 26 VAL H H 26 8.103 8.103 8.386 -0.283 18737 475 1 4 . 1 1 27 27 LYS N N 27 118.641 118.641 119.709 -1.068 18737 476 1 4 . 1 1 27 27 LYS H H 27 8.577 8.577 7.982 0.595 18737 477 1 4 . 1 1 28 28 ALA N N 28 123.566 123.566 121.931 1.635 18737 478 1 4 . 1 1 28 28 ALA H H 28 8.055 8.055 7.842 0.213 18737 479 1 4 . 1 1 29 29 LYS N N 29 119.910 119.910 119.737 0.173 18737 480 1 4 . 1 1 29 29 LYS H H 29 7.873 7.873 7.498 0.375 18737 481 1 4 . 1 1 30 30 ILE N N 30 120.937 120.937 119.816 1.121 18737 482 1 4 . 1 1 30 30 ILE H H 30 8.262 8.262 8.341 -0.079 18737 483 1 4 . 1 1 31 31 GLN N N 31 123.250 123.250 120.626 2.624 18737 484 1 4 . 1 1 31 31 GLN H H 31 8.572 8.572 8.027 0.545 18737 485 1 4 . 1 1 32 32 ASP N N 32 119.468 119.468 118.662 0.806 18737 486 1 4 . 1 1 32 32 ASP H H 32 8.052 8.052 7.848 0.204 18737 487 1 4 . 1 1 33 33 LYS N N 33 115.157 115.157 118.696 -3.539 18737 488 1 4 . 1 1 33 33 LYS H H 33 7.447 7.447 7.633 -0.186 18737 489 1 4 . 1 1 34 34 GLU N N 34 113.856 113.856 115.780 -1.924 18737 490 1 4 . 1 1 34 34 GLU H H 34 8.719 8.719 8.404 0.315 18737 491 1 4 . 1 1 35 35 GLY N N 35 108.551 108.551 107.988 0.563 18737 492 1 4 . 1 1 35 35 GLY H H 35 8.507 8.507 8.183 0.324 18737 493 1 4 . 1 1 36 36 ILE N N 36 119.943 119.943 121.023 -1.080 18737 494 1 4 . 1 1 36 36 ILE H H 36 6.147 6.147 7.467 -1.320 18737 495 1 4 . 1 1 39 39 ASP N N 39 113.228 113.228 115.095 -1.867 18737 496 1 4 . 1 1 39 39 ASP H H 39 8.540 8.540 8.293 0.247 18737 497 1 4 . 1 1 40 40 GLN N N 40 116.604 116.604 117.608 -1.004 18737 498 1 4 . 1 1 40 40 GLN H H 40 7.761 7.761 7.449 0.312 18737 499 1 4 . 1 1 41 41 GLN N N 41 117.236 117.236 119.776 -2.540 18737 500 1 4 . 1 1 41 41 GLN H H 41 7.438 7.438 7.155 0.283 18737 501 1 4 . 1 1 42 42 ARG N N 42 122.253 122.253 123.811 -1.558 18737 502 1 4 . 1 1 42 42 ARG H H 42 8.381 8.381 8.225 0.156 18737 503 1 4 . 1 1 43 43 LEU N N 43 123.939 123.939 126.270 -2.331 18737 504 1 4 . 1 1 43 43 LEU H H 43 8.873 8.873 8.939 -0.066 18737 505 1 4 . 1 1 44 44 ILE N N 44 122.126 122.126 118.758 3.368 18737 506 1 4 . 1 1 44 44 ILE H H 44 9.147 9.147 8.686 0.461 18737 507 1 4 . 1 1 45 45 PHE N N 45 125.527 125.527 127.836 -2.309 18737 508 1 4 . 1 1 45 45 PHE H H 45 8.895 8.895 9.053 -0.158 18737 509 1 4 . 1 1 46 46 ALA N N 46 132.646 132.646 130.104 2.542 18737 510 1 4 . 1 1 46 46 ALA H H 46 9.033 9.033 8.713 0.320 18737 511 1 4 . 1 1 47 47 GLY N N 47 102.802 102.802 102.628 0.174 18737 512 1 4 . 1 1 47 47 GLY H H 47 8.265 8.265 8.281 -0.016 18737 513 1 4 . 1 1 48 48 LYS N N 48 121.141 121.141 121.307 -0.166 18737 514 1 4 . 1 1 48 48 LYS H H 48 7.956 7.956 7.881 0.075 18737 515 1 4 . 1 1 49 49 GLN N N 49 122.737 122.737 121.796 0.941 18737 516 1 4 . 1 1 49 49 GLN H H 49 8.693 8.693 8.550 0.143 18737 517 1 4 . 1 1 50 50 LEU N N 50 125.580 125.580 124.492 1.088 18737 518 1 4 . 1 1 50 50 LEU H H 50 8.575 8.575 8.243 0.332 18737 519 1 4 . 1 1 51 51 GLU N N 51 122.984 122.984 123.906 -0.922 18737 520 1 4 . 1 1 51 51 GLU H H 51 8.406 8.406 8.109 0.297 18737 521 1 4 . 1 1 52 52 ASP N N 52 120.142 120.142 125.235 -5.093 18737 522 1 4 . 1 1 52 52 ASP H H 52 8.163 8.163 8.721 -0.558 18737 523 1 4 . 1 1 53 53 GLY N N 53 108.221 108.221 108.352 -0.131 18737 524 1 4 . 1 1 53 53 GLY H H 53 8.290 8.290 8.435 -0.145 18737 525 1 4 . 1 1 54 54 ARG N N 54 119.053 119.053 119.925 -0.872 18737 526 1 4 . 1 1 54 54 ARG H H 54 7.487 7.487 8.232 -0.745 18737 527 1 4 . 1 1 55 55 THR N N 55 108.479 108.479 110.812 -2.333 18737 528 1 4 . 1 1 55 55 THR H H 55 8.833 8.833 8.025 0.808 18737 529 1 4 . 1 1 56 56 LEU N N 56 117.731 117.731 122.223 -4.492 18737 530 1 4 . 1 1 56 56 LEU H H 56 8.141 8.141 8.668 -0.527 18737 531 1 4 . 1 1 57 57 SER N N 57 113.175 113.175 114.032 -0.857 18737 532 1 4 . 1 1 57 57 SER H H 57 8.493 8.493 8.101 0.392 18737 533 1 4 . 1 1 58 58 ASP N N 58 124.176 124.176 122.226 1.950 18737 534 1 4 . 1 1 58 58 ASP H H 58 7.937 7.937 8.002 -0.065 18737 535 1 4 . 1 1 59 59 TYR N N 59 115.426 115.426 116.087 -0.661 18737 536 1 4 . 1 1 59 59 TYR H H 59 7.264 7.264 7.538 -0.274 18737 537 1 4 . 1 1 60 60 ASN N N 60 115.641 115.641 117.476 -1.835 18737 538 1 4 . 1 1 60 60 ASN H H 60 8.155 8.155 7.701 0.454 18737 539 1 4 . 1 1 61 61 ILE N N 61 118.537 118.537 120.098 -1.561 18737 540 1 4 . 1 1 61 61 ILE H H 61 7.229 7.229 8.226 -0.997 18737 541 1 4 . 1 1 62 62 GLN N N 62 124.612 124.612 126.067 -1.455 18737 542 1 4 . 1 1 62 62 GLN H H 62 7.632 7.632 8.135 -0.503 18737 543 1 4 . 1 1 63 63 LYS N N 63 120.190 120.190 119.880 0.310 18737 544 1 4 . 1 1 63 63 LYS H H 63 8.495 8.495 8.300 0.195 18737 545 1 4 . 1 1 64 64 GLU N N 64 114.252 114.252 118.343 -4.091 18737 546 1 4 . 1 1 64 64 GLU H H 64 9.302 9.302 8.444 0.858 18737 547 1 4 . 1 1 65 65 SER N N 65 114.586 114.586 114.406 0.180 18737 548 1 4 . 1 1 65 65 SER H H 65 7.654 7.654 7.708 -0.054 18737 549 1 4 . 1 1 66 66 THR N N 66 117.176 117.176 120.061 -2.885 18737 550 1 4 . 1 1 66 66 THR H H 66 8.735 8.735 8.773 -0.038 18737 551 1 4 . 1 1 67 67 LEU N N 67 127.152 127.152 125.789 1.363 18737 552 1 4 . 1 1 67 67 LEU H H 67 9.359 9.359 8.504 0.855 18737 553 1 4 . 1 1 68 68 HIS N N 68 118.492 118.492 125.210 -6.718 18737 554 1 4 . 1 1 68 68 HIS H H 68 9.111 9.111 8.327 0.784 18737 555 1 4 . 1 1 69 69 LEU N N 69 125.249 125.249 130.974 -5.725 18737 556 1 4 . 1 1 69 69 LEU H H 69 8.721 8.721 8.624 0.097 18737 557 1 4 . 1 1 70 70 VAL N N 70 126.564 126.564 126.769 -0.205 18737 558 1 4 . 1 1 70 70 VAL H H 70 9.191 9.191 9.071 0.120 18737 559 1 4 . 1 1 71 71 LEU N N 71 123.127 123.127 125.267 -2.140 18737 560 1 4 . 1 1 71 71 LEU H H 71 8.065 8.065 8.476 -0.411 18737 561 1 4 . 1 1 72 72 ARG N N 72 123.576 123.576 122.075 1.501 18737 562 1 4 . 1 1 72 72 ARG H H 72 8.737 8.737 8.505 0.232 18737 563 1 4 . 1 1 73 73 LEU N N 73 123.544 123.544 119.142 4.402 18737 564 1 4 . 1 1 73 73 LEU H H 73 8.288 8.288 8.629 -0.341 18737 565 1 4 . 1 1 74 74 ARG N N 74 121.620 121.620 118.654 2.966 18737 566 1 4 . 1 1 74 74 ARG H H 74 8.486 8.486 8.677 -0.191 18737 567 1 4 . 1 1 75 75 GLY N N 75 109.865 109.865 102.478 7.387 18737 568 1 4 . 1 1 75 75 GLY H H 75 8.479 8.479 8.254 0.225 18737 569 1 5 . 1 1 2 2 GLN N N 2 122.408 122.408 120.211 2.197 18737 570 1 5 . 1 1 2 2 GLN H H 2 8.945 8.945 7.904 1.041 18737 571 1 5 . 1 1 3 3 ILE N N 3 114.615 114.615 117.144 -2.529 18737 572 1 5 . 1 1 3 3 ILE H H 3 8.299 8.299 8.309 -0.010 18737 573 1 5 . 1 1 4 4 PHE N N 4 118.379 118.379 120.738 -2.359 18737 574 1 5 . 1 1 4 4 PHE H H 4 8.579 8.579 8.531 0.048 18737 575 1 5 . 1 1 5 5 VAL N N 5 120.954 120.954 116.274 4.680 18737 576 1 5 . 1 1 5 5 VAL H H 5 9.296 9.296 9.030 0.266 18737 577 1 5 . 1 1 6 6 LYS N N 6 127.447 127.447 127.571 -0.124 18737 578 1 5 . 1 1 6 6 LYS H H 6 8.879 8.879 8.283 0.596 18737 579 1 5 . 1 1 7 7 THR N N 7 115.299 115.299 116.749 -1.450 18737 580 1 5 . 1 1 7 7 THR H H 7 8.744 8.744 8.519 0.225 18737 581 1 5 . 1 1 8 8 LEU N N 8 120.685 120.685 123.049 -2.364 18737 582 1 5 . 1 1 8 8 LEU H H 8 9.034 9.034 8.649 0.385 18737 583 1 5 . 1 1 9 9 THR N N 9 105.749 105.749 111.284 -5.535 18737 584 1 5 . 1 1 9 9 THR H H 9 7.669 7.669 7.758 -0.089 18737 585 1 5 . 1 1 10 10 GLY N N 10 108.810 108.810 107.900 0.910 18737 586 1 5 . 1 1 10 10 GLY H H 10 7.833 7.833 7.746 0.087 18737 587 1 5 . 1 1 11 11 LYS N N 11 121.383 121.383 121.880 -0.497 18737 588 1 5 . 1 1 11 11 LYS H H 11 7.259 7.259 7.879 -0.620 18737 589 1 5 . 1 1 12 12 THR N N 12 120.278 120.278 121.144 -0.866 18737 590 1 5 . 1 1 12 12 THR H H 12 8.651 8.651 8.411 0.240 18737 591 1 5 . 1 1 13 13 ILE N N 13 127.477 127.477 126.814 0.663 18737 592 1 5 . 1 1 13 13 ILE H H 13 9.540 9.540 8.909 0.631 18737 593 1 5 . 1 1 14 14 THR N N 14 121.613 121.613 120.402 1.211 18737 594 1 5 . 1 1 14 14 THR H H 14 8.750 8.750 8.327 0.423 18737 595 1 5 . 1 1 15 15 LEU N N 15 124.946 124.946 127.685 -2.739 18737 596 1 5 . 1 1 15 15 LEU H H 15 8.729 8.729 8.788 -0.059 18737 597 1 5 . 1 1 16 16 GLU N N 16 122.227 122.227 123.396 -1.169 18737 598 1 5 . 1 1 16 16 GLU H H 16 8.141 8.141 8.380 -0.239 18737 599 1 5 . 1 1 17 17 VAL N N 17 117.285 117.285 118.450 -1.165 18737 600 1 5 . 1 1 17 17 VAL H H 17 8.941 8.941 7.912 1.029 18737 601 1 5 . 1 1 18 18 GLU N N 18 118.997 118.997 126.222 -7.225 18737 602 1 5 . 1 1 18 18 GLU H H 18 8.659 8.659 8.691 -0.032 18737 603 1 5 . 1 1 20 20 SER N N 20 103.080 103.080 111.867 -8.787 18737 604 1 5 . 1 1 20 20 SER H H 20 7.035 7.035 8.114 -1.079 18737 605 1 5 . 1 1 21 21 ASP N N 21 123.134 123.134 120.986 2.148 18737 606 1 5 . 1 1 21 21 ASP H H 21 8.003 8.003 7.369 0.634 18737 607 1 5 . 1 1 22 22 THR N N 22 108.684 108.684 114.829 -6.145 18737 608 1 5 . 1 1 22 22 THR H H 22 7.893 7.893 8.715 -0.822 18737 609 1 5 . 1 1 23 23 ILE N N 23 120.936 120.936 123.676 -2.740 18737 610 1 5 . 1 1 23 23 ILE H H 23 8.543 8.543 8.717 -0.174 18737 611 1 5 . 1 1 24 24 GLU N N 24 120.830 120.830 119.405 1.425 18737 612 1 5 . 1 1 24 24 GLU H H 24 9.760 9.760 8.561 1.199 18737 613 1 5 . 1 1 25 25 ASN N N 25 121.026 121.026 119.078 1.948 18737 614 1 5 . 1 1 25 25 ASN H H 25 7.927 7.927 7.526 0.401 18737 615 1 5 . 1 1 26 26 VAL N N 26 121.828 121.828 120.759 1.069 18737 616 1 5 . 1 1 26 26 VAL H H 26 8.103 8.103 8.153 -0.050 18737 617 1 5 . 1 1 27 27 LYS N N 27 118.641 118.641 119.581 -0.940 18737 618 1 5 . 1 1 27 27 LYS H H 27 8.577 8.577 8.363 0.214 18737 619 1 5 . 1 1 28 28 ALA N N 28 123.566 123.566 122.542 1.024 18737 620 1 5 . 1 1 28 28 ALA H H 28 8.055 8.055 7.638 0.417 18737 621 1 5 . 1 1 29 29 LYS N N 29 119.910 119.910 119.282 0.628 18737 622 1 5 . 1 1 29 29 LYS H H 29 7.873 7.873 7.536 0.337 18737 623 1 5 . 1 1 30 30 ILE N N 30 120.937 120.937 120.080 0.857 18737 624 1 5 . 1 1 30 30 ILE H H 30 8.262 8.262 8.264 -0.002 18737 625 1 5 . 1 1 31 31 GLN N N 31 123.250 123.250 120.173 3.077 18737 626 1 5 . 1 1 31 31 GLN H H 31 8.572 8.572 8.107 0.465 18737 627 1 5 . 1 1 32 32 ASP N N 32 119.468 119.468 118.758 0.710 18737 628 1 5 . 1 1 32 32 ASP H H 32 8.052 8.052 7.760 0.292 18737 629 1 5 . 1 1 33 33 LYS N N 33 115.157 115.157 119.613 -4.456 18737 630 1 5 . 1 1 33 33 LYS H H 33 7.447 7.447 7.519 -0.072 18737 631 1 5 . 1 1 34 34 GLU N N 34 113.856 113.856 116.183 -2.327 18737 632 1 5 . 1 1 34 34 GLU H H 34 8.719 8.719 8.371 0.348 18737 633 1 5 . 1 1 35 35 GLY N N 35 108.551 108.551 107.794 0.757 18737 634 1 5 . 1 1 35 35 GLY H H 35 8.507 8.507 7.809 0.698 18737 635 1 5 . 1 1 36 36 ILE N N 36 119.943 119.943 123.782 -3.839 18737 636 1 5 . 1 1 36 36 ILE H H 36 6.147 6.147 7.176 -1.029 18737 637 1 5 . 1 1 39 39 ASP N N 39 113.228 113.228 115.142 -1.914 18737 638 1 5 . 1 1 39 39 ASP H H 39 8.540 8.540 8.825 -0.285 18737 639 1 5 . 1 1 40 40 GLN N N 40 116.604 116.604 117.404 -0.800 18737 640 1 5 . 1 1 40 40 GLN H H 40 7.761 7.761 7.366 0.395 18737 641 1 5 . 1 1 41 41 GLN N N 41 117.236 117.236 118.875 -1.639 18737 642 1 5 . 1 1 41 41 GLN H H 41 7.438 7.438 7.311 0.127 18737 643 1 5 . 1 1 42 42 ARG N N 42 122.253 122.253 126.447 -4.194 18737 644 1 5 . 1 1 42 42 ARG H H 42 8.381 8.381 8.315 0.066 18737 645 1 5 . 1 1 43 43 LEU N N 43 123.939 123.939 128.050 -4.111 18737 646 1 5 . 1 1 43 43 LEU H H 43 8.873 8.873 8.796 0.077 18737 647 1 5 . 1 1 44 44 ILE N N 44 122.126 122.126 123.636 -1.510 18737 648 1 5 . 1 1 44 44 ILE H H 44 9.147 9.147 8.783 0.364 18737 649 1 5 . 1 1 45 45 PHE N N 45 125.527 125.527 127.836 -2.309 18737 650 1 5 . 1 1 45 45 PHE H H 45 8.895 8.895 9.077 -0.182 18737 651 1 5 . 1 1 46 46 ALA N N 46 132.646 132.646 129.720 2.926 18737 652 1 5 . 1 1 46 46 ALA H H 46 9.033 9.033 8.749 0.284 18737 653 1 5 . 1 1 47 47 GLY N N 47 102.802 102.802 102.418 0.384 18737 654 1 5 . 1 1 47 47 GLY H H 47 8.265 8.265 8.437 -0.172 18737 655 1 5 . 1 1 48 48 LYS N N 48 121.141 121.141 121.683 -0.542 18737 656 1 5 . 1 1 48 48 LYS H H 48 7.956 7.956 7.863 0.093 18737 657 1 5 . 1 1 49 49 GLN N N 49 122.737 122.737 120.915 1.822 18737 658 1 5 . 1 1 49 49 GLN H H 49 8.693 8.693 8.551 0.142 18737 659 1 5 . 1 1 50 50 LEU N N 50 125.580 125.580 124.881 0.699 18737 660 1 5 . 1 1 50 50 LEU H H 50 8.575 8.575 8.159 0.416 18737 661 1 5 . 1 1 51 51 GLU N N 51 122.984 122.984 123.452 -0.468 18737 662 1 5 . 1 1 51 51 GLU H H 51 8.406 8.406 8.263 0.143 18737 663 1 5 . 1 1 52 52 ASP N N 52 120.142 120.142 126.477 -6.335 18737 664 1 5 . 1 1 52 52 ASP H H 52 8.163 8.163 8.835 -0.672 18737 665 1 5 . 1 1 53 53 GLY N N 53 108.221 108.221 108.339 -0.118 18737 666 1 5 . 1 1 53 53 GLY H H 53 8.290 8.290 8.258 0.032 18737 667 1 5 . 1 1 54 54 ARG N N 54 119.053 119.053 120.729 -1.676 18737 668 1 5 . 1 1 54 54 ARG H H 54 7.487 7.487 8.258 -0.771 18737 669 1 5 . 1 1 55 55 THR N N 55 108.479 108.479 113.348 -4.869 18737 670 1 5 . 1 1 55 55 THR H H 55 8.833 8.833 8.402 0.431 18737 671 1 5 . 1 1 56 56 LEU N N 56 117.731 117.731 124.457 -6.726 18737 672 1 5 . 1 1 56 56 LEU H H 56 8.141 8.141 8.716 -0.575 18737 673 1 5 . 1 1 57 57 SER N N 57 113.175 113.175 114.123 -0.948 18737 674 1 5 . 1 1 57 57 SER H H 57 8.493 8.493 8.156 0.337 18737 675 1 5 . 1 1 58 58 ASP N N 58 124.176 124.176 122.114 2.062 18737 676 1 5 . 1 1 58 58 ASP H H 58 7.937 7.937 8.195 -0.258 18737 677 1 5 . 1 1 59 59 TYR N N 59 115.426 115.426 116.138 -0.712 18737 678 1 5 . 1 1 59 59 TYR H H 59 7.264 7.264 7.449 -0.185 18737 679 1 5 . 1 1 60 60 ASN N N 60 115.641 115.641 116.758 -1.117 18737 680 1 5 . 1 1 60 60 ASN H H 60 8.155 8.155 7.721 0.434 18737 681 1 5 . 1 1 61 61 ILE N N 61 118.537 118.537 120.666 -2.129 18737 682 1 5 . 1 1 61 61 ILE H H 61 7.229 7.229 8.108 -0.879 18737 683 1 5 . 1 1 62 62 GLN N N 62 124.612 124.612 126.289 -1.677 18737 684 1 5 . 1 1 62 62 GLN H H 62 7.632 7.632 8.186 -0.554 18737 685 1 5 . 1 1 63 63 LYS N N 63 120.190 120.190 119.334 0.856 18737 686 1 5 . 1 1 63 63 LYS H H 63 8.495 8.495 8.205 0.290 18737 687 1 5 . 1 1 64 64 GLU N N 64 114.252 114.252 117.824 -3.572 18737 688 1 5 . 1 1 64 64 GLU H H 64 9.302 9.302 8.332 0.970 18737 689 1 5 . 1 1 65 65 SER N N 65 114.586 114.586 114.008 0.578 18737 690 1 5 . 1 1 65 65 SER H H 65 7.654 7.654 7.516 0.138 18737 691 1 5 . 1 1 66 66 THR N N 66 117.176 117.176 118.341 -1.165 18737 692 1 5 . 1 1 66 66 THR H H 66 8.735 8.735 8.622 0.113 18737 693 1 5 . 1 1 67 67 LEU N N 67 127.152 127.152 125.629 1.523 18737 694 1 5 . 1 1 67 67 LEU H H 67 9.359 9.359 8.633 0.726 18737 695 1 5 . 1 1 68 68 HIS N N 68 118.492 118.492 124.507 -6.015 18737 696 1 5 . 1 1 68 68 HIS H H 68 9.111 9.111 8.496 0.615 18737 697 1 5 . 1 1 69 69 LEU N N 69 125.249 125.249 130.488 -5.239 18737 698 1 5 . 1 1 69 69 LEU H H 69 8.721 8.721 8.443 0.278 18737 699 1 5 . 1 1 70 70 VAL N N 70 126.564 126.564 126.266 0.298 18737 700 1 5 . 1 1 70 70 VAL H H 70 9.191 9.191 8.856 0.335 18737 701 1 5 . 1 1 71 71 LEU N N 71 123.127 123.127 125.736 -2.609 18737 702 1 5 . 1 1 71 71 LEU H H 71 8.065 8.065 8.431 -0.366 18737 703 1 5 . 1 1 72 72 ARG N N 72 123.576 123.576 125.011 -1.435 18737 704 1 5 . 1 1 72 72 ARG H H 72 8.737 8.737 8.843 -0.106 18737 705 1 5 . 1 1 73 73 LEU N N 73 123.544 123.544 123.595 -0.051 18737 706 1 5 . 1 1 73 73 LEU H H 73 8.288 8.288 8.681 -0.393 18737 707 1 5 . 1 1 74 74 ARG N N 74 121.620 121.620 118.121 3.499 18737 708 1 5 . 1 1 74 74 ARG H H 74 8.486 8.486 7.820 0.666 18737 709 1 5 . 1 1 75 75 GLY N N 75 109.865 109.865 109.637 0.228 18737 710 1 5 . 1 1 75 75 GLY H H 75 8.479 8.479 8.785 -0.306 18737 711 1 6 . 1 1 2 2 GLN N N 2 122.408 122.408 125.419 -3.011 18737 712 1 6 . 1 1 2 2 GLN H H 2 8.945 8.945 8.512 0.433 18737 713 1 6 . 1 1 3 3 ILE N N 3 114.615 114.615 114.872 -0.257 18737 714 1 6 . 1 1 3 3 ILE H H 3 8.299 8.299 8.268 0.031 18737 715 1 6 . 1 1 4 4 PHE N N 4 118.379 118.379 121.210 -2.831 18737 716 1 6 . 1 1 4 4 PHE H H 4 8.579 8.579 8.854 -0.275 18737 717 1 6 . 1 1 5 5 VAL N N 5 120.954 120.954 120.899 0.055 18737 718 1 6 . 1 1 5 5 VAL H H 5 9.296 9.296 8.790 0.506 18737 719 1 6 . 1 1 6 6 LYS N N 6 127.447 127.447 129.196 -1.749 18737 720 1 6 . 1 1 6 6 LYS H H 6 8.879 8.879 8.527 0.352 18737 721 1 6 . 1 1 7 7 THR N N 7 115.299 115.299 116.461 -1.162 18737 722 1 6 . 1 1 7 7 THR H H 7 8.744 8.744 8.262 0.482 18737 723 1 6 . 1 1 8 8 LEU N N 8 120.685 120.685 119.615 1.070 18737 724 1 6 . 1 1 8 8 LEU H H 8 9.034 9.034 8.578 0.456 18737 725 1 6 . 1 1 9 9 THR N N 9 105.749 105.749 107.407 -1.658 18737 726 1 6 . 1 1 9 9 THR H H 9 7.669 7.669 7.662 0.007 18737 727 1 6 . 1 1 10 10 GLY N N 10 108.810 108.810 109.471 -0.661 18737 728 1 6 . 1 1 10 10 GLY H H 10 7.833 7.833 7.572 0.261 18737 729 1 6 . 1 1 11 11 LYS N N 11 121.383 121.383 122.384 -1.001 18737 730 1 6 . 1 1 11 11 LYS H H 11 7.259 7.259 7.739 -0.480 18737 731 1 6 . 1 1 12 12 THR N N 12 120.278 120.278 122.675 -2.397 18737 732 1 6 . 1 1 12 12 THR H H 12 8.651 8.651 8.564 0.087 18737 733 1 6 . 1 1 13 13 ILE N N 13 127.477 127.477 127.261 0.216 18737 734 1 6 . 1 1 13 13 ILE H H 13 9.540 9.540 8.859 0.681 18737 735 1 6 . 1 1 14 14 THR N N 14 121.613 121.613 120.612 1.001 18737 736 1 6 . 1 1 14 14 THR H H 14 8.750 8.750 8.420 0.330 18737 737 1 6 . 1 1 15 15 LEU N N 15 124.946 124.946 126.256 -1.310 18737 738 1 6 . 1 1 15 15 LEU H H 15 8.729 8.729 8.665 0.064 18737 739 1 6 . 1 1 16 16 GLU N N 16 122.227 122.227 121.951 0.276 18737 740 1 6 . 1 1 16 16 GLU H H 16 8.141 8.141 8.474 -0.333 18737 741 1 6 . 1 1 17 17 VAL N N 17 117.285 117.285 123.678 -6.393 18737 742 1 6 . 1 1 17 17 VAL H H 17 8.941 8.941 8.019 0.922 18737 743 1 6 . 1 1 18 18 GLU N N 18 118.997 118.997 127.781 -8.784 18737 744 1 6 . 1 1 18 18 GLU H H 18 8.659 8.659 8.526 0.133 18737 745 1 6 . 1 1 20 20 SER N N 20 103.080 103.080 112.025 -8.945 18737 746 1 6 . 1 1 20 20 SER H H 20 7.035 7.035 8.135 -1.100 18737 747 1 6 . 1 1 21 21 ASP N N 21 123.134 123.134 121.072 2.062 18737 748 1 6 . 1 1 21 21 ASP H H 21 8.003 8.003 7.348 0.655 18737 749 1 6 . 1 1 22 22 THR N N 22 108.684 108.684 112.798 -4.114 18737 750 1 6 . 1 1 22 22 THR H H 22 7.893 7.893 8.452 -0.559 18737 751 1 6 . 1 1 23 23 ILE N N 23 120.936 120.936 122.872 -1.936 18737 752 1 6 . 1 1 23 23 ILE H H 23 8.543 8.543 9.073 -0.530 18737 753 1 6 . 1 1 24 24 GLU N N 24 120.830 120.830 120.139 0.691 18737 754 1 6 . 1 1 24 24 GLU H H 24 9.760 9.760 8.159 1.601 18737 755 1 6 . 1 1 25 25 ASN N N 25 121.026 121.026 118.268 2.758 18737 756 1 6 . 1 1 25 25 ASN H H 25 7.927 7.927 7.661 0.266 18737 757 1 6 . 1 1 26 26 VAL N N 26 121.828 121.828 120.852 0.976 18737 758 1 6 . 1 1 26 26 VAL H H 26 8.103 8.103 8.117 -0.014 18737 759 1 6 . 1 1 27 27 LYS N N 27 118.641 118.641 119.371 -0.730 18737 760 1 6 . 1 1 27 27 LYS H H 27 8.577 8.577 8.293 0.284 18737 761 1 6 . 1 1 28 28 ALA N N 28 123.566 123.566 122.013 1.553 18737 762 1 6 . 1 1 28 28 ALA H H 28 8.055 8.055 7.793 0.262 18737 763 1 6 . 1 1 29 29 LYS N N 29 119.910 119.910 120.175 -0.265 18737 764 1 6 . 1 1 29 29 LYS H H 29 7.873 7.873 7.495 0.378 18737 765 1 6 . 1 1 30 30 ILE N N 30 120.937 120.937 119.245 1.692 18737 766 1 6 . 1 1 30 30 ILE H H 30 8.262 8.262 8.263 -0.001 18737 767 1 6 . 1 1 31 31 GLN N N 31 123.250 123.250 119.783 3.467 18737 768 1 6 . 1 1 31 31 GLN H H 31 8.572 8.572 8.152 0.420 18737 769 1 6 . 1 1 32 32 ASP N N 32 119.468 119.468 119.229 0.239 18737 770 1 6 . 1 1 32 32 ASP H H 32 8.052 8.052 7.839 0.213 18737 771 1 6 . 1 1 33 33 LYS N N 33 115.157 115.157 119.544 -4.387 18737 772 1 6 . 1 1 33 33 LYS H H 33 7.447 7.447 7.598 -0.151 18737 773 1 6 . 1 1 34 34 GLU N N 34 113.856 113.856 116.746 -2.890 18737 774 1 6 . 1 1 34 34 GLU H H 34 8.719 8.719 8.329 0.390 18737 775 1 6 . 1 1 35 35 GLY N N 35 108.551 108.551 107.813 0.738 18737 776 1 6 . 1 1 35 35 GLY H H 35 8.507 8.507 7.672 0.835 18737 777 1 6 . 1 1 36 36 ILE N N 36 119.943 119.943 121.174 -1.231 18737 778 1 6 . 1 1 36 36 ILE H H 36 6.147 6.147 7.389 -1.242 18737 779 1 6 . 1 1 39 39 ASP N N 39 113.228 113.228 116.648 -3.420 18737 780 1 6 . 1 1 39 39 ASP H H 39 8.540 8.540 8.675 -0.135 18737 781 1 6 . 1 1 40 40 GLN N N 40 116.604 116.604 116.180 0.424 18737 782 1 6 . 1 1 40 40 GLN H H 40 7.761 7.761 7.643 0.118 18737 783 1 6 . 1 1 41 41 GLN N N 41 117.236 117.236 119.899 -2.663 18737 784 1 6 . 1 1 41 41 GLN H H 41 7.438 7.438 7.443 -0.005 18737 785 1 6 . 1 1 42 42 ARG N N 42 122.253 122.253 124.710 -2.457 18737 786 1 6 . 1 1 42 42 ARG H H 42 8.381 8.381 8.463 -0.082 18737 787 1 6 . 1 1 43 43 LEU N N 43 123.939 123.939 127.782 -3.843 18737 788 1 6 . 1 1 43 43 LEU H H 43 8.873 8.873 8.718 0.155 18737 789 1 6 . 1 1 44 44 ILE N N 44 122.126 122.126 121.886 0.240 18737 790 1 6 . 1 1 44 44 ILE H H 44 9.147 9.147 8.487 0.660 18737 791 1 6 . 1 1 45 45 PHE N N 45 125.527 125.527 129.077 -3.550 18737 792 1 6 . 1 1 45 45 PHE H H 45 8.895 8.895 8.824 0.071 18737 793 1 6 . 1 1 46 46 ALA N N 46 132.646 132.646 129.357 3.289 18737 794 1 6 . 1 1 46 46 ALA H H 46 9.033 9.033 8.679 0.354 18737 795 1 6 . 1 1 47 47 GLY N N 47 102.802 102.802 102.085 0.717 18737 796 1 6 . 1 1 47 47 GLY H H 47 8.265 8.265 8.135 0.130 18737 797 1 6 . 1 1 48 48 LYS N N 48 121.141 121.141 121.443 -0.302 18737 798 1 6 . 1 1 48 48 LYS H H 48 7.956 7.956 7.971 -0.015 18737 799 1 6 . 1 1 49 49 GLN N N 49 122.737 122.737 115.862 6.875 18737 800 1 6 . 1 1 49 49 GLN H H 49 8.693 8.693 8.611 0.082 18737 801 1 6 . 1 1 50 50 LEU N N 50 125.580 125.580 116.714 8.866 18737 802 1 6 . 1 1 50 50 LEU H H 50 8.575 8.575 7.802 0.773 18737 803 1 6 . 1 1 51 51 GLU N N 51 122.984 122.984 123.172 -0.188 18737 804 1 6 . 1 1 51 51 GLU H H 51 8.406 8.406 8.149 0.257 18737 805 1 6 . 1 1 52 52 ASP N N 52 120.142 120.142 127.859 -7.717 18737 806 1 6 . 1 1 52 52 ASP H H 52 8.163 8.163 8.833 -0.670 18737 807 1 6 . 1 1 53 53 GLY N N 53 108.221 108.221 108.007 0.214 18737 808 1 6 . 1 1 53 53 GLY H H 53 8.290 8.290 7.775 0.515 18737 809 1 6 . 1 1 54 54 ARG N N 54 119.053 119.053 119.100 -0.047 18737 810 1 6 . 1 1 54 54 ARG H H 54 7.487 7.487 8.290 -0.803 18737 811 1 6 . 1 1 55 55 THR N N 55 108.479 108.479 114.410 -5.931 18737 812 1 6 . 1 1 55 55 THR H H 55 8.833 8.833 8.018 0.815 18737 813 1 6 . 1 1 56 56 LEU N N 56 117.731 117.731 124.929 -7.198 18737 814 1 6 . 1 1 56 56 LEU H H 56 8.141 8.141 8.730 -0.589 18737 815 1 6 . 1 1 57 57 SER N N 57 113.175 113.175 113.917 -0.742 18737 816 1 6 . 1 1 57 57 SER H H 57 8.493 8.493 8.368 0.125 18737 817 1 6 . 1 1 58 58 ASP N N 58 124.176 124.176 122.741 1.435 18737 818 1 6 . 1 1 58 58 ASP H H 58 7.937 7.937 7.960 -0.023 18737 819 1 6 . 1 1 59 59 TYR N N 59 115.426 115.426 116.364 -0.938 18737 820 1 6 . 1 1 59 59 TYR H H 59 7.264 7.264 7.450 -0.186 18737 821 1 6 . 1 1 60 60 ASN N N 60 115.641 115.641 115.287 0.354 18737 822 1 6 . 1 1 60 60 ASN H H 60 8.155 8.155 7.761 0.394 18737 823 1 6 . 1 1 61 61 ILE N N 61 118.537 118.537 120.672 -2.135 18737 824 1 6 . 1 1 61 61 ILE H H 61 7.229 7.229 7.943 -0.714 18737 825 1 6 . 1 1 62 62 GLN N N 62 124.612 124.612 125.600 -0.988 18737 826 1 6 . 1 1 62 62 GLN H H 62 7.632 7.632 8.432 -0.800 18737 827 1 6 . 1 1 63 63 LYS N N 63 120.190 120.190 119.059 1.131 18737 828 1 6 . 1 1 63 63 LYS H H 63 8.495 8.495 8.377 0.118 18737 829 1 6 . 1 1 64 64 GLU N N 64 114.252 114.252 115.933 -1.681 18737 830 1 6 . 1 1 64 64 GLU H H 64 9.302 9.302 8.490 0.812 18737 831 1 6 . 1 1 65 65 SER N N 65 114.586 114.586 114.020 0.566 18737 832 1 6 . 1 1 65 65 SER H H 65 7.654 7.654 7.619 0.035 18737 833 1 6 . 1 1 66 66 THR N N 66 117.176 117.176 115.995 1.181 18737 834 1 6 . 1 1 66 66 THR H H 66 8.735 8.735 8.708 0.027 18737 835 1 6 . 1 1 67 67 LEU N N 67 127.152 127.152 126.094 1.058 18737 836 1 6 . 1 1 67 67 LEU H H 67 9.359 9.359 8.478 0.881 18737 837 1 6 . 1 1 68 68 HIS N N 68 118.492 118.492 124.682 -6.190 18737 838 1 6 . 1 1 68 68 HIS H H 68 9.111 9.111 8.798 0.313 18737 839 1 6 . 1 1 69 69 LEU N N 69 125.249 125.249 131.097 -5.848 18737 840 1 6 . 1 1 69 69 LEU H H 69 8.721 8.721 8.734 -0.013 18737 841 1 6 . 1 1 70 70 VAL N N 70 126.564 126.564 126.338 0.226 18737 842 1 6 . 1 1 70 70 VAL H H 70 9.191 9.191 8.919 0.272 18737 843 1 6 . 1 1 71 71 LEU N N 71 123.127 123.127 125.841 -2.714 18737 844 1 6 . 1 1 71 71 LEU H H 71 8.065 8.065 8.361 -0.296 18737 845 1 6 . 1 1 72 72 ARG N N 72 123.576 123.576 122.958 0.618 18737 846 1 6 . 1 1 72 72 ARG H H 72 8.737 8.737 8.362 0.375 18737 847 1 6 . 1 1 73 73 LEU N N 73 123.544 123.544 119.200 4.344 18737 848 1 6 . 1 1 73 73 LEU H H 73 8.288 8.288 8.064 0.224 18737 849 1 6 . 1 1 74 74 ARG N N 74 121.620 121.620 122.348 -0.728 18737 850 1 6 . 1 1 74 74 ARG H H 74 8.486 8.486 8.453 0.033 18737 851 1 6 . 1 1 75 75 GLY N N 75 109.865 109.865 110.579 -0.714 18737 852 1 6 . 1 1 75 75 GLY H H 75 8.479 8.479 8.115 0.364 18737 853 1 7 . 1 1 2 2 GLN N N 2 122.408 122.408 123.790 -1.382 18737 854 1 7 . 1 1 2 2 GLN H H 2 8.945 8.945 8.409 0.536 18737 855 1 7 . 1 1 3 3 ILE N N 3 114.615 114.615 115.885 -1.270 18737 856 1 7 . 1 1 3 3 ILE H H 3 8.299 8.299 8.210 0.089 18737 857 1 7 . 1 1 4 4 PHE N N 4 118.379 118.379 122.064 -3.685 18737 858 1 7 . 1 1 4 4 PHE H H 4 8.579 8.579 8.917 -0.338 18737 859 1 7 . 1 1 5 5 VAL N N 5 120.954 120.954 122.740 -1.786 18737 860 1 7 . 1 1 5 5 VAL H H 5 9.296 9.296 8.909 0.387 18737 861 1 7 . 1 1 6 6 LYS N N 6 127.447 127.447 128.453 -1.006 18737 862 1 7 . 1 1 6 6 LYS H H 6 8.879 8.879 8.499 0.380 18737 863 1 7 . 1 1 7 7 THR N N 7 115.299 115.299 117.312 -2.013 18737 864 1 7 . 1 1 7 7 THR H H 7 8.744 8.744 8.424 0.320 18737 865 1 7 . 1 1 8 8 LEU N N 8 120.685 120.685 123.465 -2.780 18737 866 1 7 . 1 1 8 8 LEU H H 8 9.034 9.034 9.169 -0.135 18737 867 1 7 . 1 1 9 9 THR N N 9 105.749 105.749 109.972 -4.223 18737 868 1 7 . 1 1 9 9 THR H H 9 7.669 7.669 7.906 -0.237 18737 869 1 7 . 1 1 10 10 GLY N N 10 108.810 108.810 109.297 -0.487 18737 870 1 7 . 1 1 10 10 GLY H H 10 7.833 7.833 7.605 0.228 18737 871 1 7 . 1 1 11 11 LYS N N 11 121.383 121.383 121.164 0.219 18737 872 1 7 . 1 1 11 11 LYS H H 11 7.259 7.259 7.905 -0.646 18737 873 1 7 . 1 1 12 12 THR N N 12 120.278 120.278 122.213 -1.935 18737 874 1 7 . 1 1 12 12 THR H H 12 8.651 8.651 8.366 0.285 18737 875 1 7 . 1 1 13 13 ILE N N 13 127.477 127.477 127.706 -0.229 18737 876 1 7 . 1 1 13 13 ILE H H 13 9.540 9.540 8.510 1.030 18737 877 1 7 . 1 1 14 14 THR N N 14 121.613 121.613 118.656 2.957 18737 878 1 7 . 1 1 14 14 THR H H 14 8.750 8.750 8.428 0.322 18737 879 1 7 . 1 1 15 15 LEU N N 15 124.946 124.946 123.525 1.421 18737 880 1 7 . 1 1 15 15 LEU H H 15 8.729 8.729 8.510 0.219 18737 881 1 7 . 1 1 16 16 GLU N N 16 122.227 122.227 124.583 -2.356 18737 882 1 7 . 1 1 16 16 GLU H H 16 8.141 8.141 8.440 -0.299 18737 883 1 7 . 1 1 17 17 VAL N N 17 117.285 117.285 121.047 -3.762 18737 884 1 7 . 1 1 17 17 VAL H H 17 8.941 8.941 8.258 0.683 18737 885 1 7 . 1 1 18 18 GLU N N 18 118.997 118.997 126.029 -7.032 18737 886 1 7 . 1 1 18 18 GLU H H 18 8.659 8.659 8.444 0.215 18737 887 1 7 . 1 1 20 20 SER N N 20 103.080 103.080 110.642 -7.562 18737 888 1 7 . 1 1 20 20 SER H H 20 7.035 7.035 8.271 -1.236 18737 889 1 7 . 1 1 21 21 ASP N N 21 123.134 123.134 121.621 1.513 18737 890 1 7 . 1 1 21 21 ASP H H 21 8.003 8.003 7.468 0.535 18737 891 1 7 . 1 1 22 22 THR N N 22 108.684 108.684 113.490 -4.806 18737 892 1 7 . 1 1 22 22 THR H H 22 7.893 7.893 8.195 -0.302 18737 893 1 7 . 1 1 23 23 ILE N N 23 120.936 120.936 123.556 -2.620 18737 894 1 7 . 1 1 23 23 ILE H H 23 8.543 8.543 8.948 -0.405 18737 895 1 7 . 1 1 24 24 GLU N N 24 120.830 120.830 119.297 1.533 18737 896 1 7 . 1 1 24 24 GLU H H 24 9.760 9.760 8.194 1.566 18737 897 1 7 . 1 1 25 25 ASN N N 25 121.026 121.026 118.897 2.129 18737 898 1 7 . 1 1 25 25 ASN H H 25 7.927 7.927 7.497 0.430 18737 899 1 7 . 1 1 26 26 VAL N N 26 121.828 121.828 121.274 0.554 18737 900 1 7 . 1 1 26 26 VAL H H 26 8.103 8.103 8.064 0.039 18737 901 1 7 . 1 1 27 27 LYS N N 27 118.641 118.641 118.922 -0.281 18737 902 1 7 . 1 1 27 27 LYS H H 27 8.577 8.577 8.026 0.551 18737 903 1 7 . 1 1 28 28 ALA N N 28 123.566 123.566 122.226 1.340 18737 904 1 7 . 1 1 28 28 ALA H H 28 8.055 8.055 7.516 0.539 18737 905 1 7 . 1 1 29 29 LYS N N 29 119.910 119.910 119.348 0.562 18737 906 1 7 . 1 1 29 29 LYS H H 29 7.873 7.873 7.827 0.046 18737 907 1 7 . 1 1 30 30 ILE N N 30 120.937 120.937 120.030 0.907 18737 908 1 7 . 1 1 30 30 ILE H H 30 8.262 8.262 8.263 -0.001 18737 909 1 7 . 1 1 31 31 GLN N N 31 123.250 123.250 119.519 3.731 18737 910 1 7 . 1 1 31 31 GLN H H 31 8.572 8.572 8.050 0.522 18737 911 1 7 . 1 1 32 32 ASP N N 32 119.468 119.468 118.688 0.780 18737 912 1 7 . 1 1 32 32 ASP H H 32 8.052 8.052 7.454 0.598 18737 913 1 7 . 1 1 33 33 LYS N N 33 115.157 115.157 119.481 -4.324 18737 914 1 7 . 1 1 33 33 LYS H H 33 7.447 7.447 7.561 -0.114 18737 915 1 7 . 1 1 34 34 GLU N N 34 113.856 113.856 115.628 -1.772 18737 916 1 7 . 1 1 34 34 GLU H H 34 8.719 8.719 8.249 0.470 18737 917 1 7 . 1 1 35 35 GLY N N 35 108.551 108.551 108.329 0.222 18737 918 1 7 . 1 1 35 35 GLY H H 35 8.507 8.507 7.729 0.778 18737 919 1 7 . 1 1 36 36 ILE N N 36 119.943 119.943 121.228 -1.285 18737 920 1 7 . 1 1 36 36 ILE H H 36 6.147 6.147 7.451 -1.304 18737 921 1 7 . 1 1 39 39 ASP N N 39 113.228 113.228 116.004 -2.776 18737 922 1 7 . 1 1 39 39 ASP H H 39 8.540 8.540 8.303 0.237 18737 923 1 7 . 1 1 40 40 GLN N N 40 116.604 116.604 114.611 1.993 18737 924 1 7 . 1 1 40 40 GLN H H 40 7.761 7.761 7.592 0.169 18737 925 1 7 . 1 1 41 41 GLN N N 41 117.236 117.236 119.461 -2.225 18737 926 1 7 . 1 1 41 41 GLN H H 41 7.438 7.438 7.095 0.343 18737 927 1 7 . 1 1 42 42 ARG N N 42 122.253 122.253 124.196 -1.943 18737 928 1 7 . 1 1 42 42 ARG H H 42 8.381 8.381 8.192 0.189 18737 929 1 7 . 1 1 43 43 LEU N N 43 123.939 123.939 127.412 -3.473 18737 930 1 7 . 1 1 43 43 LEU H H 43 8.873 8.873 8.821 0.052 18737 931 1 7 . 1 1 44 44 ILE N N 44 122.126 122.126 124.169 -2.043 18737 932 1 7 . 1 1 44 44 ILE H H 44 9.147 9.147 8.912 0.235 18737 933 1 7 . 1 1 45 45 PHE N N 45 125.527 125.527 127.574 -2.047 18737 934 1 7 . 1 1 45 45 PHE H H 45 8.895 8.895 9.110 -0.215 18737 935 1 7 . 1 1 46 46 ALA N N 46 132.646 132.646 129.012 3.634 18737 936 1 7 . 1 1 46 46 ALA H H 46 9.033 9.033 8.720 0.313 18737 937 1 7 . 1 1 47 47 GLY N N 47 102.802 102.802 101.516 1.286 18737 938 1 7 . 1 1 47 47 GLY H H 47 8.265 8.265 8.385 -0.120 18737 939 1 7 . 1 1 48 48 LYS N N 48 121.141 121.141 121.572 -0.431 18737 940 1 7 . 1 1 48 48 LYS H H 48 7.956 7.956 7.664 0.292 18737 941 1 7 . 1 1 49 49 GLN N N 49 122.737 122.737 121.383 1.354 18737 942 1 7 . 1 1 49 49 GLN H H 49 8.693 8.693 8.526 0.167 18737 943 1 7 . 1 1 50 50 LEU N N 50 125.580 125.580 125.909 -0.329 18737 944 1 7 . 1 1 50 50 LEU H H 50 8.575 8.575 8.317 0.258 18737 945 1 7 . 1 1 51 51 GLU N N 51 122.984 122.984 123.869 -0.885 18737 946 1 7 . 1 1 51 51 GLU H H 51 8.406 8.406 8.356 0.050 18737 947 1 7 . 1 1 52 52 ASP N N 52 120.142 120.142 128.899 -8.757 18737 948 1 7 . 1 1 52 52 ASP H H 52 8.163 8.163 8.980 -0.817 18737 949 1 7 . 1 1 53 53 GLY N N 53 108.221 108.221 105.256 2.965 18737 950 1 7 . 1 1 53 53 GLY H H 53 8.290 8.290 7.886 0.404 18737 951 1 7 . 1 1 54 54 ARG N N 54 119.053 119.053 120.411 -1.358 18737 952 1 7 . 1 1 54 54 ARG H H 54 7.487 7.487 8.050 -0.563 18737 953 1 7 . 1 1 55 55 THR N N 55 108.479 108.479 111.494 -3.015 18737 954 1 7 . 1 1 55 55 THR H H 55 8.833 8.833 8.055 0.778 18737 955 1 7 . 1 1 56 56 LEU N N 56 117.731 117.731 122.290 -4.559 18737 956 1 7 . 1 1 56 56 LEU H H 56 8.141 8.141 8.534 -0.393 18737 957 1 7 . 1 1 57 57 SER N N 57 113.175 113.175 112.274 0.901 18737 958 1 7 . 1 1 57 57 SER H H 57 8.493 8.493 7.960 0.533 18737 959 1 7 . 1 1 58 58 ASP N N 58 124.176 124.176 122.630 1.546 18737 960 1 7 . 1 1 58 58 ASP H H 58 7.937 7.937 8.163 -0.226 18737 961 1 7 . 1 1 59 59 TYR N N 59 115.426 115.426 114.971 0.455 18737 962 1 7 . 1 1 59 59 TYR H H 59 7.264 7.264 7.734 -0.470 18737 963 1 7 . 1 1 60 60 ASN N N 60 115.641 115.641 114.315 1.326 18737 964 1 7 . 1 1 60 60 ASN H H 60 8.155 8.155 7.604 0.551 18737 965 1 7 . 1 1 61 61 ILE N N 61 118.537 118.537 119.001 -0.464 18737 966 1 7 . 1 1 61 61 ILE H H 61 7.229 7.229 7.955 -0.726 18737 967 1 7 . 1 1 62 62 GLN N N 62 124.612 124.612 120.038 4.574 18737 968 1 7 . 1 1 62 62 GLN H H 62 7.632 7.632 8.115 -0.483 18737 969 1 7 . 1 1 63 63 LYS N N 63 120.190 120.190 119.935 0.255 18737 970 1 7 . 1 1 63 63 LYS H H 63 8.495 8.495 8.560 -0.065 18737 971 1 7 . 1 1 64 64 GLU N N 64 114.252 114.252 118.255 -4.003 18737 972 1 7 . 1 1 64 64 GLU H H 64 9.302 9.302 8.598 0.704 18737 973 1 7 . 1 1 65 65 SER N N 65 114.586 114.586 112.831 1.755 18737 974 1 7 . 1 1 65 65 SER H H 65 7.654 7.654 7.569 0.085 18737 975 1 7 . 1 1 66 66 THR N N 66 117.176 117.176 118.340 -1.164 18737 976 1 7 . 1 1 66 66 THR H H 66 8.735 8.735 8.512 0.223 18737 977 1 7 . 1 1 67 67 LEU N N 67 127.152 127.152 127.294 -0.142 18737 978 1 7 . 1 1 67 67 LEU H H 67 9.359 9.359 9.041 0.318 18737 979 1 7 . 1 1 68 68 HIS N N 68 118.492 118.492 124.808 -6.316 18737 980 1 7 . 1 1 68 68 HIS H H 68 9.111 9.111 8.755 0.356 18737 981 1 7 . 1 1 69 69 LEU N N 69 125.249 125.249 131.049 -5.800 18737 982 1 7 . 1 1 69 69 LEU H H 69 8.721 8.721 8.659 0.062 18737 983 1 7 . 1 1 70 70 VAL N N 70 126.564 126.564 127.271 -0.707 18737 984 1 7 . 1 1 70 70 VAL H H 70 9.191 9.191 8.861 0.330 18737 985 1 7 . 1 1 71 71 LEU N N 71 123.127 123.127 121.714 1.413 18737 986 1 7 . 1 1 71 71 LEU H H 71 8.065 8.065 8.316 -0.251 18737 987 1 7 . 1 1 72 72 ARG N N 72 123.576 123.576 125.238 -1.662 18737 988 1 7 . 1 1 72 72 ARG H H 72 8.737 8.737 8.499 0.238 18737 989 1 7 . 1 1 73 73 LEU N N 73 123.544 123.544 121.535 2.009 18737 990 1 7 . 1 1 73 73 LEU H H 73 8.288 8.288 8.631 -0.343 18737 991 1 7 . 1 1 74 74 ARG N N 74 121.620 121.620 124.579 -2.959 18737 992 1 7 . 1 1 74 74 ARG H H 74 8.486 8.486 8.252 0.234 18737 993 1 7 . 1 1 75 75 GLY N N 75 109.865 109.865 108.789 1.076 18737 994 1 7 . 1 1 75 75 GLY H H 75 8.479 8.479 8.102 0.377 18737 995 1 8 . 1 1 2 2 GLN N N 2 122.408 122.408 122.055 0.353 18737 996 1 8 . 1 1 2 2 GLN H H 2 8.945 8.945 8.362 0.583 18737 997 1 8 . 1 1 3 3 ILE N N 3 114.615 114.615 116.198 -1.583 18737 998 1 8 . 1 1 3 3 ILE H H 3 8.299 8.299 8.017 0.282 18737 999 1 8 . 1 1 4 4 PHE N N 4 118.379 118.379 121.439 -3.060 18737 1000 1 8 . 1 1 4 4 PHE H H 4 8.579 8.579 9.118 -0.539 18737 1001 1 8 . 1 1 5 5 VAL N N 5 120.954 120.954 123.231 -2.277 18737 1002 1 8 . 1 1 5 5 VAL H H 5 9.296 9.296 9.084 0.212 18737 1003 1 8 . 1 1 6 6 LYS N N 6 127.447 127.447 128.616 -1.169 18737 1004 1 8 . 1 1 6 6 LYS H H 6 8.879 8.879 8.558 0.321 18737 1005 1 8 . 1 1 7 7 THR N N 7 115.299 115.299 111.004 4.295 18737 1006 1 8 . 1 1 7 7 THR H H 7 8.744 8.744 7.983 0.761 18737 1007 1 8 . 1 1 8 8 LEU N N 8 120.685 120.685 118.131 2.554 18737 1008 1 8 . 1 1 8 8 LEU H H 8 9.034 9.034 9.218 -0.184 18737 1009 1 8 . 1 1 9 9 THR N N 9 105.749 105.749 111.383 -5.634 18737 1010 1 8 . 1 1 9 9 THR H H 9 7.669 7.669 7.638 0.031 18737 1011 1 8 . 1 1 10 10 GLY N N 10 108.810 108.810 109.316 -0.506 18737 1012 1 8 . 1 1 10 10 GLY H H 10 7.833 7.833 7.598 0.235 18737 1013 1 8 . 1 1 11 11 LYS N N 11 121.383 121.383 122.236 -0.853 18737 1014 1 8 . 1 1 11 11 LYS H H 11 7.259 7.259 7.927 -0.668 18737 1015 1 8 . 1 1 12 12 THR N N 12 120.278 120.278 117.440 2.838 18737 1016 1 8 . 1 1 12 12 THR H H 12 8.651 8.651 8.071 0.580 18737 1017 1 8 . 1 1 13 13 ILE N N 13 127.477 127.477 121.249 6.228 18737 1018 1 8 . 1 1 13 13 ILE H H 13 9.540 9.540 8.339 1.201 18737 1019 1 8 . 1 1 14 14 THR N N 14 121.613 121.613 116.924 4.689 18737 1020 1 8 . 1 1 14 14 THR H H 14 8.750 8.750 8.382 0.368 18737 1021 1 8 . 1 1 15 15 LEU N N 15 124.946 124.946 122.409 2.537 18737 1022 1 8 . 1 1 15 15 LEU H H 15 8.729 8.729 8.244 0.485 18737 1023 1 8 . 1 1 16 16 GLU N N 16 122.227 122.227 125.017 -2.790 18737 1024 1 8 . 1 1 16 16 GLU H H 16 8.141 8.141 8.560 -0.419 18737 1025 1 8 . 1 1 17 17 VAL N N 17 117.285 117.285 120.842 -3.557 18737 1026 1 8 . 1 1 17 17 VAL H H 17 8.941 8.941 7.828 1.113 18737 1027 1 8 . 1 1 18 18 GLU N N 18 118.997 118.997 126.082 -7.085 18737 1028 1 8 . 1 1 18 18 GLU H H 18 8.659 8.659 8.271 0.388 18737 1029 1 8 . 1 1 20 20 SER N N 20 103.080 103.080 111.622 -8.542 18737 1030 1 8 . 1 1 20 20 SER H H 20 7.035 7.035 8.208 -1.173 18737 1031 1 8 . 1 1 21 21 ASP N N 21 123.134 123.134 121.507 1.627 18737 1032 1 8 . 1 1 21 21 ASP H H 21 8.003 8.003 7.550 0.454 18737 1033 1 8 . 1 1 22 22 THR N N 22 108.684 108.684 113.866 -5.182 18737 1034 1 8 . 1 1 22 22 THR H H 22 7.893 7.893 8.173 -0.280 18737 1035 1 8 . 1 1 23 23 ILE N N 23 120.936 120.936 123.830 -2.894 18737 1036 1 8 . 1 1 23 23 ILE H H 23 8.543 8.543 8.874 -0.331 18737 1037 1 8 . 1 1 24 24 GLU N N 24 120.830 120.830 120.097 0.733 18737 1038 1 8 . 1 1 24 24 GLU H H 24 9.760 9.760 8.323 1.437 18737 1039 1 8 . 1 1 25 25 ASN N N 25 121.026 121.026 118.346 2.680 18737 1040 1 8 . 1 1 25 25 ASN H H 25 7.927 7.927 7.595 0.332 18737 1041 1 8 . 1 1 26 26 VAL N N 26 121.828 121.828 121.044 0.784 18737 1042 1 8 . 1 1 26 26 VAL H H 26 8.103 8.103 8.056 0.047 18737 1043 1 8 . 1 1 27 27 LYS N N 27 118.641 118.641 119.012 -0.371 18737 1044 1 8 . 1 1 27 27 LYS H H 27 8.577 8.577 7.988 0.589 18737 1045 1 8 . 1 1 28 28 ALA N N 28 123.566 123.566 121.569 1.997 18737 1046 1 8 . 1 1 28 28 ALA H H 28 8.055 8.055 7.609 0.446 18737 1047 1 8 . 1 1 29 29 LYS N N 29 119.910 119.910 118.886 1.024 18737 1048 1 8 . 1 1 29 29 LYS H H 29 7.873 7.873 7.692 0.181 18737 1049 1 8 . 1 1 30 30 ILE N N 30 120.937 120.937 119.842 1.095 18737 1050 1 8 . 1 1 30 30 ILE H H 30 8.262 8.262 8.267 -0.005 18737 1051 1 8 . 1 1 31 31 GLN N N 31 123.250 123.250 118.678 4.572 18737 1052 1 8 . 1 1 31 31 GLN H H 31 8.572 8.572 8.197 0.375 18737 1053 1 8 . 1 1 32 32 ASP N N 32 119.468 119.468 119.941 -0.473 18737 1054 1 8 . 1 1 32 32 ASP H H 32 8.052 8.052 7.536 0.516 18737 1055 1 8 . 1 1 33 33 LYS N N 33 115.157 115.157 119.267 -4.110 18737 1056 1 8 . 1 1 33 33 LYS H H 33 7.447 7.447 7.416 0.031 18737 1057 1 8 . 1 1 34 34 GLU N N 34 113.856 113.856 117.389 -3.533 18737 1058 1 8 . 1 1 34 34 GLU H H 34 8.719 8.719 8.402 0.317 18737 1059 1 8 . 1 1 35 35 GLY N N 35 108.551 108.551 108.037 0.514 18737 1060 1 8 . 1 1 35 35 GLY H H 35 8.507 8.507 7.905 0.602 18737 1061 1 8 . 1 1 36 36 ILE N N 36 119.943 119.943 118.534 1.409 18737 1062 1 8 . 1 1 36 36 ILE H H 36 6.147 6.147 7.606 -1.459 18737 1063 1 8 . 1 1 39 39 ASP N N 39 113.228 113.228 115.790 -2.562 18737 1064 1 8 . 1 1 39 39 ASP H H 39 8.540 8.540 8.402 0.138 18737 1065 1 8 . 1 1 40 40 GLN N N 40 116.604 116.604 115.706 0.898 18737 1066 1 8 . 1 1 40 40 GLN H H 40 7.761 7.761 7.485 0.276 18737 1067 1 8 . 1 1 41 41 GLN N N 41 117.236 117.236 119.406 -2.170 18737 1068 1 8 . 1 1 41 41 GLN H H 41 7.438 7.438 7.261 0.177 18737 1069 1 8 . 1 1 42 42 ARG N N 42 122.253 122.253 125.985 -3.732 18737 1070 1 8 . 1 1 42 42 ARG H H 42 8.381 8.381 8.170 0.211 18737 1071 1 8 . 1 1 43 43 LEU N N 43 123.939 123.939 127.604 -3.665 18737 1072 1 8 . 1 1 43 43 LEU H H 43 8.873 8.873 8.808 0.065 18737 1073 1 8 . 1 1 44 44 ILE N N 44 122.126 122.126 123.715 -1.589 18737 1074 1 8 . 1 1 44 44 ILE H H 44 9.147 9.147 8.799 0.348 18737 1075 1 8 . 1 1 45 45 PHE N N 45 125.527 125.527 127.163 -1.636 18737 1076 1 8 . 1 1 45 45 PHE H H 45 8.895 8.895 9.118 -0.223 18737 1077 1 8 . 1 1 46 46 ALA N N 46 132.646 132.646 130.219 2.427 18737 1078 1 8 . 1 1 46 46 ALA H H 46 9.033 9.033 8.628 0.405 18737 1079 1 8 . 1 1 47 47 GLY N N 47 102.802 102.802 103.847 -1.045 18737 1080 1 8 . 1 1 47 47 GLY H H 47 8.265 8.265 8.561 -0.296 18737 1081 1 8 . 1 1 48 48 LYS N N 48 121.141 121.141 121.563 -0.422 18737 1082 1 8 . 1 1 48 48 LYS H H 48 7.956 7.956 7.606 0.350 18737 1083 1 8 . 1 1 49 49 GLN N N 49 122.737 122.737 125.060 -2.323 18737 1084 1 8 . 1 1 49 49 GLN H H 49 8.693 8.693 8.670 0.023 18737 1085 1 8 . 1 1 50 50 LEU N N 50 125.580 125.580 127.199 -1.619 18737 1086 1 8 . 1 1 50 50 LEU H H 50 8.575 8.575 8.411 0.164 18737 1087 1 8 . 1 1 51 51 GLU N N 51 122.984 122.984 124.025 -1.041 18737 1088 1 8 . 1 1 51 51 GLU H H 51 8.406 8.406 8.240 0.166 18737 1089 1 8 . 1 1 52 52 ASP N N 52 120.142 120.142 126.911 -6.769 18737 1090 1 8 . 1 1 52 52 ASP H H 52 8.163 8.163 8.795 -0.632 18737 1091 1 8 . 1 1 53 53 GLY N N 53 108.221 108.221 107.205 1.016 18737 1092 1 8 . 1 1 53 53 GLY H H 53 8.290 8.290 8.305 -0.015 18737 1093 1 8 . 1 1 54 54 ARG N N 54 119.053 119.053 119.480 -0.427 18737 1094 1 8 . 1 1 54 54 ARG H H 54 7.487 7.487 8.008 -0.521 18737 1095 1 8 . 1 1 55 55 THR N N 55 108.479 108.479 110.813 -2.334 18737 1096 1 8 . 1 1 55 55 THR H H 55 8.833 8.833 8.059 0.774 18737 1097 1 8 . 1 1 56 56 LEU N N 56 117.731 117.731 121.441 -3.710 18737 1098 1 8 . 1 1 56 56 LEU H H 56 8.141 8.141 8.548 -0.407 18737 1099 1 8 . 1 1 57 57 SER N N 57 113.175 113.175 113.853 -0.678 18737 1100 1 8 . 1 1 57 57 SER H H 57 8.493 8.493 7.994 0.499 18737 1101 1 8 . 1 1 58 58 ASP N N 58 124.176 124.176 122.523 1.653 18737 1102 1 8 . 1 1 58 58 ASP H H 58 7.937 7.937 8.272 -0.335 18737 1103 1 8 . 1 1 59 59 TYR N N 59 115.426 115.426 115.171 0.255 18737 1104 1 8 . 1 1 59 59 TYR H H 59 7.264 7.264 7.558 -0.294 18737 1105 1 8 . 1 1 60 60 ASN N N 60 115.641 115.641 115.288 0.353 18737 1106 1 8 . 1 1 60 60 ASN H H 60 8.155 8.155 7.600 0.555 18737 1107 1 8 . 1 1 61 61 ILE N N 61 118.537 118.537 120.554 -2.017 18737 1108 1 8 . 1 1 61 61 ILE H H 61 7.229 7.229 8.037 -0.808 18737 1109 1 8 . 1 1 62 62 GLN N N 62 124.612 124.612 126.044 -1.432 18737 1110 1 8 . 1 1 62 62 GLN H H 62 7.632 7.632 8.360 -0.728 18737 1111 1 8 . 1 1 63 63 LYS N N 63 120.190 120.190 119.926 0.264 18737 1112 1 8 . 1 1 63 63 LYS H H 63 8.495 8.495 8.547 -0.052 18737 1113 1 8 . 1 1 64 64 GLU N N 64 114.252 114.252 119.976 -5.724 18737 1114 1 8 . 1 1 64 64 GLU H H 64 9.302 9.302 8.594 0.708 18737 1115 1 8 . 1 1 65 65 SER N N 65 114.586 114.586 113.487 1.099 18737 1116 1 8 . 1 1 65 65 SER H H 65 7.654 7.654 7.391 0.263 18737 1117 1 8 . 1 1 66 66 THR N N 66 117.176 117.176 116.791 0.385 18737 1118 1 8 . 1 1 66 66 THR H H 66 8.735 8.735 8.559 0.176 18737 1119 1 8 . 1 1 67 67 LEU N N 67 127.152 127.152 130.555 -3.403 18737 1120 1 8 . 1 1 67 67 LEU H H 67 9.359 9.359 9.154 0.205 18737 1121 1 8 . 1 1 68 68 HIS N N 68 118.492 118.492 124.891 -6.399 18737 1122 1 8 . 1 1 68 68 HIS H H 68 9.111 9.111 8.734 0.377 18737 1123 1 8 . 1 1 69 69 LEU N N 69 125.249 125.249 131.562 -6.313 18737 1124 1 8 . 1 1 69 69 LEU H H 69 8.721 8.721 8.706 0.015 18737 1125 1 8 . 1 1 70 70 VAL N N 70 126.564 126.564 122.904 3.660 18737 1126 1 8 . 1 1 70 70 VAL H H 70 9.191 9.191 8.823 0.368 18737 1127 1 8 . 1 1 71 71 LEU N N 71 123.127 123.127 119.967 3.160 18737 1128 1 8 . 1 1 71 71 LEU H H 71 8.065 8.065 8.352 -0.287 18737 1129 1 8 . 1 1 72 72 ARG N N 72 123.576 123.576 125.117 -1.541 18737 1130 1 8 . 1 1 72 72 ARG H H 72 8.737 8.737 8.668 0.069 18737 1131 1 8 . 1 1 73 73 LEU N N 73 123.544 123.544 126.303 -2.759 18737 1132 1 8 . 1 1 73 73 LEU H H 73 8.288 8.288 8.168 0.120 18737 1133 1 8 . 1 1 74 74 ARG N N 74 121.620 121.620 120.168 1.452 18737 1134 1 8 . 1 1 74 74 ARG H H 74 8.486 8.486 8.540 -0.054 18737 1135 1 8 . 1 1 75 75 GLY N N 75 109.865 109.865 107.109 2.756 18737 1136 1 8 . 1 1 75 75 GLY H H 75 8.479 8.479 8.375 0.104 18737 1137 1 9 . 1 1 2 2 GLN N N 2 122.408 122.408 127.749 -5.341 18737 1138 1 9 . 1 1 2 2 GLN H H 2 8.945 8.945 8.519 0.426 18737 1139 1 9 . 1 1 3 3 ILE N N 3 114.615 114.615 115.499 -0.884 18737 1140 1 9 . 1 1 3 3 ILE H H 3 8.299 8.299 8.598 -0.299 18737 1141 1 9 . 1 1 4 4 PHE N N 4 118.379 118.379 121.270 -2.891 18737 1142 1 9 . 1 1 4 4 PHE H H 4 8.579 8.579 9.052 -0.473 18737 1143 1 9 . 1 1 5 5 VAL N N 5 120.954 120.954 123.695 -2.741 18737 1144 1 9 . 1 1 5 5 VAL H H 5 9.296 9.296 9.045 0.251 18737 1145 1 9 . 1 1 6 6 LYS N N 6 127.447 127.447 130.050 -2.603 18737 1146 1 9 . 1 1 6 6 LYS H H 6 8.879 8.879 8.490 0.389 18737 1147 1 9 . 1 1 7 7 THR N N 7 115.299 115.299 118.297 -2.998 18737 1148 1 9 . 1 1 7 7 THR H H 7 8.744 8.744 8.536 0.208 18737 1149 1 9 . 1 1 8 8 LEU N N 8 120.685 120.685 115.197 5.488 18737 1150 1 9 . 1 1 8 8 LEU H H 8 9.034 9.034 8.514 0.520 18737 1151 1 9 . 1 1 9 9 THR N N 9 105.749 105.749 114.065 -8.316 18737 1152 1 9 . 1 1 9 9 THR H H 9 7.669 7.669 7.537 0.132 18737 1153 1 9 . 1 1 10 10 GLY N N 10 108.810 108.810 110.488 -1.678 18737 1154 1 9 . 1 1 10 10 GLY H H 10 7.833 7.833 7.579 0.254 18737 1155 1 9 . 1 1 11 11 LYS N N 11 121.383 121.383 122.198 -0.815 18737 1156 1 9 . 1 1 11 11 LYS H H 11 7.259 7.259 7.589 -0.330 18737 1157 1 9 . 1 1 12 12 THR N N 12 120.278 120.278 119.298 0.980 18737 1158 1 9 . 1 1 12 12 THR H H 12 8.651 8.651 8.269 0.382 18737 1159 1 9 . 1 1 13 13 ILE N N 13 127.477 127.477 121.726 5.751 18737 1160 1 9 . 1 1 13 13 ILE H H 13 9.540 9.540 8.391 1.149 18737 1161 1 9 . 1 1 14 14 THR N N 14 121.613 121.613 117.545 4.068 18737 1162 1 9 . 1 1 14 14 THR H H 14 8.750 8.750 8.347 0.403 18737 1163 1 9 . 1 1 15 15 LEU N N 15 124.946 124.946 125.247 -0.301 18737 1164 1 9 . 1 1 15 15 LEU H H 15 8.729 8.729 8.841 -0.112 18737 1165 1 9 . 1 1 16 16 GLU N N 16 122.227 122.227 123.900 -1.673 18737 1166 1 9 . 1 1 16 16 GLU H H 16 8.141 8.141 8.462 -0.321 18737 1167 1 9 . 1 1 17 17 VAL N N 17 117.285 117.285 119.722 -2.437 18737 1168 1 9 . 1 1 17 17 VAL H H 17 8.941 8.941 8.747 0.194 18737 1169 1 9 . 1 1 18 18 GLU N N 18 118.997 118.997 118.189 0.808 18737 1170 1 9 . 1 1 18 18 GLU H H 18 8.659 8.659 8.406 0.253 18737 1171 1 9 . 1 1 20 20 SER N N 20 103.080 103.080 109.316 -6.236 18737 1172 1 9 . 1 1 20 20 SER H H 20 7.035 7.035 7.885 -0.850 18737 1173 1 9 . 1 1 21 21 ASP N N 21 123.134 123.134 123.223 -0.089 18737 1174 1 9 . 1 1 21 21 ASP H H 21 8.003 8.003 7.794 0.209 18737 1175 1 9 . 1 1 22 22 THR N N 22 108.684 108.684 119.594 -10.910 18737 1176 1 9 . 1 1 22 22 THR H H 22 7.893 7.893 8.045 -0.152 18737 1177 1 9 . 1 1 23 23 ILE N N 23 120.936 120.936 126.126 -5.190 18737 1178 1 9 . 1 1 23 23 ILE H H 23 8.543 8.543 9.063 -0.520 18737 1179 1 9 . 1 1 24 24 GLU N N 24 120.830 120.830 120.129 0.701 18737 1180 1 9 . 1 1 24 24 GLU H H 24 9.760 9.760 8.480 1.280 18737 1181 1 9 . 1 1 25 25 ASN N N 25 121.026 121.026 118.135 2.891 18737 1182 1 9 . 1 1 25 25 ASN H H 25 7.927 7.927 7.885 0.042 18737 1183 1 9 . 1 1 26 26 VAL N N 26 121.828 121.828 121.848 -0.020 18737 1184 1 9 . 1 1 26 26 VAL H H 26 8.103 8.103 8.058 0.045 18737 1185 1 9 . 1 1 27 27 LYS N N 27 118.641 118.641 119.246 -0.605 18737 1186 1 9 . 1 1 27 27 LYS H H 27 8.577 8.577 8.160 0.417 18737 1187 1 9 . 1 1 28 28 ALA N N 28 123.566 123.566 122.054 1.512 18737 1188 1 9 . 1 1 28 28 ALA H H 28 8.055 8.055 7.497 0.558 18737 1189 1 9 . 1 1 29 29 LYS N N 29 119.910 119.910 120.290 -0.380 18737 1190 1 9 . 1 1 29 29 LYS H H 29 7.873 7.873 8.023 -0.150 18737 1191 1 9 . 1 1 30 30 ILE N N 30 120.937 120.937 119.150 1.787 18737 1192 1 9 . 1 1 30 30 ILE H H 30 8.262 8.262 8.157 0.105 18737 1193 1 9 . 1 1 31 31 GLN N N 31 123.250 123.250 120.210 3.040 18737 1194 1 9 . 1 1 31 31 GLN H H 31 8.572 8.572 7.839 0.733 18737 1195 1 9 . 1 1 32 32 ASP N N 32 119.468 119.468 118.825 0.643 18737 1196 1 9 . 1 1 32 32 ASP H H 32 8.052 8.052 8.003 0.049 18737 1197 1 9 . 1 1 33 33 LYS N N 33 115.157 115.157 119.069 -3.912 18737 1198 1 9 . 1 1 33 33 LYS H H 33 7.447 7.447 7.601 -0.154 18737 1199 1 9 . 1 1 34 34 GLU N N 34 113.856 113.856 117.236 -3.380 18737 1200 1 9 . 1 1 34 34 GLU H H 34 8.719 8.719 8.163 0.556 18737 1201 1 9 . 1 1 35 35 GLY N N 35 108.551 108.551 108.028 0.523 18737 1202 1 9 . 1 1 35 35 GLY H H 35 8.507 8.507 7.956 0.551 18737 1203 1 9 . 1 1 36 36 ILE N N 36 119.943 119.943 117.637 2.306 18737 1204 1 9 . 1 1 36 36 ILE H H 36 6.147 6.147 7.525 -1.378 18737 1205 1 9 . 1 1 39 39 ASP N N 39 113.228 113.228 114.930 -1.702 18737 1206 1 9 . 1 1 39 39 ASP H H 39 8.540 8.540 8.663 -0.123 18737 1207 1 9 . 1 1 40 40 GLN N N 40 116.604 116.604 115.603 1.001 18737 1208 1 9 . 1 1 40 40 GLN H H 40 7.761 7.761 7.496 0.265 18737 1209 1 9 . 1 1 41 41 GLN N N 41 117.236 117.236 121.831 -4.595 18737 1210 1 9 . 1 1 41 41 GLN H H 41 7.438 7.438 7.102 0.336 18737 1211 1 9 . 1 1 42 42 ARG N N 42 122.253 122.253 128.573 -6.320 18737 1212 1 9 . 1 1 42 42 ARG H H 42 8.381 8.381 8.459 -0.078 18737 1213 1 9 . 1 1 43 43 LEU N N 43 123.939 123.939 128.745 -4.806 18737 1214 1 9 . 1 1 43 43 LEU H H 43 8.873 8.873 8.798 0.075 18737 1215 1 9 . 1 1 44 44 ILE N N 44 122.126 122.126 123.513 -1.387 18737 1216 1 9 . 1 1 44 44 ILE H H 44 9.147 9.147 9.008 0.139 18737 1217 1 9 . 1 1 45 45 PHE N N 45 125.527 125.527 126.398 -0.871 18737 1218 1 9 . 1 1 45 45 PHE H H 45 8.895 8.895 8.883 0.012 18737 1219 1 9 . 1 1 46 46 ALA N N 46 132.646 132.646 128.877 3.769 18737 1220 1 9 . 1 1 46 46 ALA H H 46 9.033 9.033 8.739 0.294 18737 1221 1 9 . 1 1 47 47 GLY N N 47 102.802 102.802 102.429 0.373 18737 1222 1 9 . 1 1 47 47 GLY H H 47 8.265 8.265 8.141 0.124 18737 1223 1 9 . 1 1 48 48 LYS N N 48 121.141 121.141 121.839 -0.698 18737 1224 1 9 . 1 1 48 48 LYS H H 48 7.956 7.956 7.866 0.090 18737 1225 1 9 . 1 1 49 49 GLN N N 49 122.737 122.737 122.403 0.334 18737 1226 1 9 . 1 1 49 49 GLN H H 49 8.693 8.693 8.573 0.120 18737 1227 1 9 . 1 1 50 50 LEU N N 50 125.580 125.580 126.794 -1.214 18737 1228 1 9 . 1 1 50 50 LEU H H 50 8.575 8.575 8.532 0.043 18737 1229 1 9 . 1 1 51 51 GLU N N 51 122.984 122.984 123.504 -0.520 18737 1230 1 9 . 1 1 51 51 GLU H H 51 8.406 8.406 8.190 0.216 18737 1231 1 9 . 1 1 52 52 ASP N N 52 120.142 120.142 127.007 -6.865 18737 1232 1 9 . 1 1 52 52 ASP H H 52 8.163 8.163 8.939 -0.776 18737 1233 1 9 . 1 1 53 53 GLY N N 53 108.221 108.221 103.536 4.685 18737 1234 1 9 . 1 1 53 53 GLY H H 53 8.290 8.290 8.253 0.037 18737 1235 1 9 . 1 1 54 54 ARG N N 54 119.053 119.053 120.903 -1.850 18737 1236 1 9 . 1 1 54 54 ARG H H 54 7.487 7.487 7.889 -0.402 18737 1237 1 9 . 1 1 55 55 THR N N 55 108.479 108.479 111.070 -2.591 18737 1238 1 9 . 1 1 55 55 THR H H 55 8.833 8.833 8.790 0.043 18737 1239 1 9 . 1 1 56 56 LEU N N 56 117.731 117.731 121.696 -3.965 18737 1240 1 9 . 1 1 56 56 LEU H H 56 8.141 8.141 8.932 -0.791 18737 1241 1 9 . 1 1 57 57 SER N N 57 113.175 113.175 114.873 -1.698 18737 1242 1 9 . 1 1 57 57 SER H H 57 8.493 8.493 8.052 0.441 18737 1243 1 9 . 1 1 58 58 ASP N N 58 124.176 124.176 124.064 0.112 18737 1244 1 9 . 1 1 58 58 ASP H H 58 7.937 7.937 8.440 -0.503 18737 1245 1 9 . 1 1 59 59 TYR N N 59 115.426 115.426 115.403 0.023 18737 1246 1 9 . 1 1 59 59 TYR H H 59 7.264 7.264 7.742 -0.478 18737 1247 1 9 . 1 1 60 60 ASN N N 60 115.641 115.641 114.574 1.067 18737 1248 1 9 . 1 1 60 60 ASN H H 60 8.155 8.155 7.809 0.346 18737 1249 1 9 . 1 1 61 61 ILE N N 61 118.537 118.537 120.507 -1.970 18737 1250 1 9 . 1 1 61 61 ILE H H 61 7.229 7.229 7.856 -0.627 18737 1251 1 9 . 1 1 62 62 GLN N N 62 124.612 124.612 125.978 -1.366 18737 1252 1 9 . 1 1 62 62 GLN H H 62 7.632 7.632 8.006 -0.374 18737 1253 1 9 . 1 1 63 63 LYS N N 63 120.190 120.190 119.592 0.598 18737 1254 1 9 . 1 1 63 63 LYS H H 63 8.495 8.495 8.376 0.119 18737 1255 1 9 . 1 1 64 64 GLU N N 64 114.252 114.252 118.838 -4.586 18737 1256 1 9 . 1 1 64 64 GLU H H 64 9.302 9.302 8.660 0.642 18737 1257 1 9 . 1 1 65 65 SER N N 65 114.586 114.586 113.002 1.584 18737 1258 1 9 . 1 1 65 65 SER H H 65 7.654 7.654 7.416 0.238 18737 1259 1 9 . 1 1 66 66 THR N N 66 117.176 117.176 119.113 -1.937 18737 1260 1 9 . 1 1 66 66 THR H H 66 8.735 8.735 8.656 0.078 18737 1261 1 9 . 1 1 67 67 LEU N N 67 127.152 127.152 130.704 -3.552 18737 1262 1 9 . 1 1 67 67 LEU H H 67 9.359 9.359 9.288 0.071 18737 1263 1 9 . 1 1 68 68 HIS N N 68 118.492 118.492 123.679 -5.187 18737 1264 1 9 . 1 1 68 68 HIS H H 68 9.111 9.111 8.990 0.121 18737 1265 1 9 . 1 1 69 69 LEU N N 69 125.249 125.249 130.231 -4.982 18737 1266 1 9 . 1 1 69 69 LEU H H 69 8.721 8.721 8.517 0.204 18737 1267 1 9 . 1 1 70 70 VAL N N 70 126.564 126.564 124.827 1.737 18737 1268 1 9 . 1 1 70 70 VAL H H 70 9.191 9.191 9.210 -0.019 18737 1269 1 9 . 1 1 71 71 LEU N N 71 123.127 123.127 122.661 0.466 18737 1270 1 9 . 1 1 71 71 LEU H H 71 8.065 8.065 8.348 -0.283 18737 1271 1 9 . 1 1 72 72 ARG N N 72 123.576 123.576 126.520 -2.944 18737 1272 1 9 . 1 1 72 72 ARG H H 72 8.737 8.737 7.835 0.902 18737 1273 1 9 . 1 1 73 73 LEU N N 73 123.544 123.544 122.044 1.500 18737 1274 1 9 . 1 1 73 73 LEU H H 73 8.288 8.288 8.641 -0.353 18737 1275 1 9 . 1 1 74 74 ARG N N 74 121.620 121.620 124.127 -2.507 18737 1276 1 9 . 1 1 74 74 ARG H H 74 8.486 8.486 8.691 -0.205 18737 1277 1 9 . 1 1 75 75 GLY N N 75 109.865 109.865 107.943 1.922 18737 1278 1 9 . 1 1 75 75 GLY H H 75 8.479 8.479 7.976 0.503 18737 1279 1 10 . 1 1 2 2 GLN N N 2 122.408 122.408 125.402 -2.994 18737 1280 1 10 . 1 1 2 2 GLN H H 2 8.945 8.945 8.681 0.264 18737 1281 1 10 . 1 1 3 3 ILE N N 3 114.615 114.615 114.124 0.491 18737 1282 1 10 . 1 1 3 3 ILE H H 3 8.299 8.299 8.001 0.298 18737 1283 1 10 . 1 1 4 4 PHE N N 4 118.379 118.379 120.490 -2.111 18737 1284 1 10 . 1 1 4 4 PHE H H 4 8.579 8.579 8.884 -0.305 18737 1285 1 10 . 1 1 5 5 VAL N N 5 120.954 120.954 123.711 -2.757 18737 1286 1 10 . 1 1 5 5 VAL H H 5 9.296 9.296 9.057 0.239 18737 1287 1 10 . 1 1 6 6 LYS N N 6 127.447 127.447 129.845 -2.398 18737 1288 1 10 . 1 1 6 6 LYS H H 6 8.879 8.879 8.565 0.314 18737 1289 1 10 . 1 1 7 7 THR N N 7 115.299 115.299 116.508 -1.209 18737 1290 1 10 . 1 1 7 7 THR H H 7 8.744 8.744 7.995 0.749 18737 1291 1 10 . 1 1 8 8 LEU N N 8 120.685 120.685 119.549 1.136 18737 1292 1 10 . 1 1 8 8 LEU H H 8 9.034 9.034 8.883 0.151 18737 1293 1 10 . 1 1 9 9 THR N N 9 105.749 105.749 111.477 -5.728 18737 1294 1 10 . 1 1 9 9 THR H H 9 7.669 7.669 7.599 0.070 18737 1295 1 10 . 1 1 10 10 GLY N N 10 108.810 108.810 109.438 -0.628 18737 1296 1 10 . 1 1 10 10 GLY H H 10 7.833 7.833 7.683 0.150 18737 1297 1 10 . 1 1 11 11 LYS N N 11 121.383 121.383 122.657 -1.274 18737 1298 1 10 . 1 1 11 11 LYS H H 11 7.259 7.259 7.916 -0.657 18737 1299 1 10 . 1 1 12 12 THR N N 12 120.278 120.278 116.314 3.964 18737 1300 1 10 . 1 1 12 12 THR H H 12 8.651 8.651 8.267 0.384 18737 1301 1 10 . 1 1 13 13 ILE N N 13 127.477 127.477 121.344 6.133 18737 1302 1 10 . 1 1 13 13 ILE H H 13 9.540 9.540 8.316 1.224 18737 1303 1 10 . 1 1 14 14 THR N N 14 121.613 121.613 121.590 0.023 18737 1304 1 10 . 1 1 14 14 THR H H 14 8.750 8.750 8.459 0.291 18737 1305 1 10 . 1 1 15 15 LEU N N 15 124.946 124.946 126.023 -1.077 18737 1306 1 10 . 1 1 15 15 LEU H H 15 8.729 8.729 8.458 0.271 18737 1307 1 10 . 1 1 16 16 GLU N N 16 122.227 122.227 121.959 0.268 18737 1308 1 10 . 1 1 16 16 GLU H H 16 8.141 8.141 8.484 -0.343 18737 1309 1 10 . 1 1 17 17 VAL N N 17 117.285 117.285 118.771 -1.486 18737 1310 1 10 . 1 1 17 17 VAL H H 17 8.941 8.941 8.526 0.415 18737 1311 1 10 . 1 1 18 18 GLU N N 18 118.997 118.997 118.922 0.075 18737 1312 1 10 . 1 1 18 18 GLU H H 18 8.659 8.659 8.615 0.044 18737 1313 1 10 . 1 1 20 20 SER N N 20 103.080 103.080 109.017 -5.937 18737 1314 1 10 . 1 1 20 20 SER H H 20 7.035 7.035 7.922 -0.887 18737 1315 1 10 . 1 1 21 21 ASP N N 21 123.134 123.134 123.514 -0.380 18737 1316 1 10 . 1 1 21 21 ASP H H 21 8.003 8.003 7.873 0.130 18737 1317 1 10 . 1 1 22 22 THR N N 22 108.684 108.684 119.559 -10.875 18737 1318 1 10 . 1 1 22 22 THR H H 22 7.893 7.893 8.346 -0.453 18737 1319 1 10 . 1 1 23 23 ILE N N 23 120.936 120.936 125.915 -4.979 18737 1320 1 10 . 1 1 23 23 ILE H H 23 8.543 8.543 8.851 -0.308 18737 1321 1 10 . 1 1 24 24 GLU N N 24 120.830 120.830 118.548 2.282 18737 1322 1 10 . 1 1 24 24 GLU H H 24 9.760 9.760 8.209 1.551 18737 1323 1 10 . 1 1 25 25 ASN N N 25 121.026 121.026 118.713 2.313 18737 1324 1 10 . 1 1 25 25 ASN H H 25 7.927 7.927 7.709 0.218 18737 1325 1 10 . 1 1 26 26 VAL N N 26 121.828 121.828 120.517 1.311 18737 1326 1 10 . 1 1 26 26 VAL H H 26 8.103 8.103 8.026 0.077 18737 1327 1 10 . 1 1 27 27 LYS N N 27 118.641 118.641 119.273 -0.632 18737 1328 1 10 . 1 1 27 27 LYS H H 27 8.577 8.577 8.213 0.364 18737 1329 1 10 . 1 1 28 28 ALA N N 28 123.566 123.566 121.969 1.597 18737 1330 1 10 . 1 1 28 28 ALA H H 28 8.055 8.055 7.621 0.434 18737 1331 1 10 . 1 1 29 29 LYS N N 29 119.910 119.910 119.489 0.421 18737 1332 1 10 . 1 1 29 29 LYS H H 29 7.873 7.873 7.657 0.216 18737 1333 1 10 . 1 1 30 30 ILE N N 30 120.937 120.937 120.332 0.605 18737 1334 1 10 . 1 1 30 30 ILE H H 30 8.262 8.262 8.314 -0.052 18737 1335 1 10 . 1 1 31 31 GLN N N 31 123.250 123.250 120.221 3.029 18737 1336 1 10 . 1 1 31 31 GLN H H 31 8.572 8.572 8.103 0.469 18737 1337 1 10 . 1 1 32 32 ASP N N 32 119.468 119.468 119.186 0.282 18737 1338 1 10 . 1 1 32 32 ASP H H 32 8.052 8.052 7.723 0.329 18737 1339 1 10 . 1 1 33 33 LYS N N 33 115.157 115.157 119.333 -4.176 18737 1340 1 10 . 1 1 33 33 LYS H H 33 7.447 7.447 7.472 -0.025 18737 1341 1 10 . 1 1 34 34 GLU N N 34 113.856 113.856 117.861 -4.005 18737 1342 1 10 . 1 1 34 34 GLU H H 34 8.719 8.719 8.204 0.515 18737 1343 1 10 . 1 1 35 35 GLY N N 35 108.551 108.551 107.272 1.279 18737 1344 1 10 . 1 1 35 35 GLY H H 35 8.507 8.507 7.967 0.540 18737 1345 1 10 . 1 1 36 36 ILE N N 36 119.943 119.943 118.415 1.528 18737 1346 1 10 . 1 1 36 36 ILE H H 36 6.147 6.147 7.735 -1.588 18737 1347 1 10 . 1 1 39 39 ASP N N 39 113.228 113.228 115.348 -2.120 18737 1348 1 10 . 1 1 39 39 ASP H H 39 8.540 8.540 8.254 0.286 18737 1349 1 10 . 1 1 40 40 GLN N N 40 116.604 116.604 114.565 2.039 18737 1350 1 10 . 1 1 40 40 GLN H H 40 7.761 7.761 7.856 -0.095 18737 1351 1 10 . 1 1 41 41 GLN N N 41 117.236 117.236 119.215 -1.979 18737 1352 1 10 . 1 1 41 41 GLN H H 41 7.438 7.438 7.102 0.336 18737 1353 1 10 . 1 1 42 42 ARG N N 42 122.253 122.253 126.972 -4.719 18737 1354 1 10 . 1 1 42 42 ARG H H 42 8.381 8.381 8.275 0.106 18737 1355 1 10 . 1 1 43 43 LEU N N 43 123.939 123.939 127.692 -3.753 18737 1356 1 10 . 1 1 43 43 LEU H H 43 8.873 8.873 8.853 0.020 18737 1357 1 10 . 1 1 44 44 ILE N N 44 122.126 122.126 122.811 -0.685 18737 1358 1 10 . 1 1 44 44 ILE H H 44 9.147 9.147 8.724 0.423 18737 1359 1 10 . 1 1 45 45 PHE N N 45 125.527 125.527 127.005 -1.478 18737 1360 1 10 . 1 1 45 45 PHE H H 45 8.895 8.895 9.095 -0.200 18737 1361 1 10 . 1 1 46 46 ALA N N 46 132.646 132.646 129.450 3.196 18737 1362 1 10 . 1 1 46 46 ALA H H 46 9.033 9.033 8.578 0.455 18737 1363 1 10 . 1 1 47 47 GLY N N 47 102.802 102.802 103.105 -0.303 18737 1364 1 10 . 1 1 47 47 GLY H H 47 8.265 8.265 8.365 -0.100 18737 1365 1 10 . 1 1 48 48 LYS N N 48 121.141 121.141 122.088 -0.947 18737 1366 1 10 . 1 1 48 48 LYS H H 48 7.956 7.956 7.514 0.442 18737 1367 1 10 . 1 1 49 49 GLN N N 49 122.737 122.737 124.267 -1.530 18737 1368 1 10 . 1 1 49 49 GLN H H 49 8.693 8.693 8.580 0.113 18737 1369 1 10 . 1 1 50 50 LEU N N 50 125.580 125.580 128.460 -2.880 18737 1370 1 10 . 1 1 50 50 LEU H H 50 8.575 8.575 8.526 0.049 18737 1371 1 10 . 1 1 51 51 GLU N N 51 122.984 122.984 123.811 -0.827 18737 1372 1 10 . 1 1 51 51 GLU H H 51 8.406 8.406 8.315 0.091 18737 1373 1 10 . 1 1 52 52 ASP N N 52 120.142 120.142 125.672 -5.530 18737 1374 1 10 . 1 1 52 52 ASP H H 52 8.163 8.163 8.832 -0.669 18737 1375 1 10 . 1 1 53 53 GLY N N 53 108.221 108.221 103.700 4.521 18737 1376 1 10 . 1 1 53 53 GLY H H 53 8.290 8.290 8.487 -0.197 18737 1377 1 10 . 1 1 54 54 ARG N N 54 119.053 119.053 119.757 -0.704 18737 1378 1 10 . 1 1 54 54 ARG H H 54 7.487 7.487 7.858 -0.371 18737 1379 1 10 . 1 1 55 55 THR N N 55 108.479 108.479 109.848 -1.369 18737 1380 1 10 . 1 1 55 55 THR H H 55 8.833 8.833 8.623 0.210 18737 1381 1 10 . 1 1 56 56 LEU N N 56 117.731 117.731 121.998 -4.267 18737 1382 1 10 . 1 1 56 56 LEU H H 56 8.141 8.141 8.707 -0.566 18737 1383 1 10 . 1 1 57 57 SER N N 57 113.175 113.175 114.058 -0.883 18737 1384 1 10 . 1 1 57 57 SER H H 57 8.493 8.493 8.303 0.190 18737 1385 1 10 . 1 1 58 58 ASP N N 58 124.176 124.176 124.182 -0.006 18737 1386 1 10 . 1 1 58 58 ASP H H 58 7.937 7.937 8.306 -0.369 18737 1387 1 10 . 1 1 59 59 TYR N N 59 115.426 115.426 115.006 0.420 18737 1388 1 10 . 1 1 59 59 TYR H H 59 7.264 7.264 7.574 -0.310 18737 1389 1 10 . 1 1 60 60 ASN N N 60 115.641 115.641 115.054 0.587 18737 1390 1 10 . 1 1 60 60 ASN H H 60 8.155 8.155 7.765 0.390 18737 1391 1 10 . 1 1 61 61 ILE N N 61 118.537 118.537 121.585 -3.048 18737 1392 1 10 . 1 1 61 61 ILE H H 61 7.229 7.229 8.300 -1.071 18737 1393 1 10 . 1 1 62 62 GLN N N 62 124.612 124.612 126.376 -1.764 18737 1394 1 10 . 1 1 62 62 GLN H H 62 7.632 7.632 8.095 -0.463 18737 1395 1 10 . 1 1 63 63 LYS N N 63 120.190 120.190 117.957 2.233 18737 1396 1 10 . 1 1 63 63 LYS H H 63 8.495 8.495 8.252 0.243 18737 1397 1 10 . 1 1 64 64 GLU N N 64 114.252 114.252 116.842 -2.590 18737 1398 1 10 . 1 1 64 64 GLU H H 64 9.302 9.302 8.504 0.798 18737 1399 1 10 . 1 1 65 65 SER N N 65 114.586 114.586 112.872 1.714 18737 1400 1 10 . 1 1 65 65 SER H H 65 7.654 7.654 7.523 0.131 18737 1401 1 10 . 1 1 66 66 THR N N 66 117.176 117.176 118.925 -1.749 18737 1402 1 10 . 1 1 66 66 THR H H 66 8.735 8.735 8.469 0.266 18737 1403 1 10 . 1 1 67 67 LEU N N 67 127.152 127.152 129.801 -2.649 18737 1404 1 10 . 1 1 67 67 LEU H H 67 9.359 9.359 9.205 0.154 18737 1405 1 10 . 1 1 68 68 HIS N N 68 118.492 118.492 124.263 -5.771 18737 1406 1 10 . 1 1 68 68 HIS H H 68 9.111 9.111 8.715 0.396 18737 1407 1 10 . 1 1 69 69 LEU N N 69 125.249 125.249 131.623 -6.374 18737 1408 1 10 . 1 1 69 69 LEU H H 69 8.721 8.721 8.879 -0.158 18737 1409 1 10 . 1 1 70 70 VAL N N 70 126.564 126.564 124.547 2.017 18737 1410 1 10 . 1 1 70 70 VAL H H 70 9.191 9.191 9.142 0.049 18737 1411 1 10 . 1 1 71 71 LEU N N 71 123.127 123.127 120.740 2.387 18737 1412 1 10 . 1 1 71 71 LEU H H 71 8.065 8.065 8.091 -0.026 18737 1413 1 10 . 1 1 72 72 ARG N N 72 123.576 123.576 125.212 -1.636 18737 1414 1 10 . 1 1 72 72 ARG H H 72 8.737 8.737 8.486 0.252 18737 1415 1 10 . 1 1 73 73 LEU N N 73 123.544 123.544 118.010 5.534 18737 1416 1 10 . 1 1 73 73 LEU H H 73 8.288 8.288 7.849 0.439 18737 1417 1 10 . 1 1 74 74 ARG N N 74 121.620 121.620 126.109 -4.489 18737 1418 1 10 . 1 1 74 74 ARG H H 74 8.486 8.486 8.793 -0.307 18737 1419 1 10 . 1 1 75 75 GLY N N 75 109.865 109.865 108.674 1.191 18737 1420 1 10 . 1 1 75 75 GLY H H 75 8.479 8.479 8.342 0.137 18737 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 71 2.873 1.149 2.652 18737 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18737 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18737 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18737 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18737 6 1 1 "Average Difference" HN 71 0.515 -0.116 0.506 18737 7 1 2 "Average Difference" N 71 3.136 0.799 3.054 18737 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18737 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18737 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18737 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18737 12 1 2 "Average Difference" HN 71 0.556 -0.150 0.539 18737 13 1 3 "Average Difference" N 71 2.904 0.874 2.788 18737 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18737 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18737 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18737 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18737 18 1 3 "Average Difference" HN 71 0.522 -0.108 0.515 18737 19 1 4 "Average Difference" N 71 2.961 0.798 2.872 18737 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18737 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18737 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18737 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18737 24 1 4 "Average Difference" HN 71 0.500 -0.112 0.491 18737 25 1 5 "Average Difference" N 71 2.959 1.168 2.738 18737 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18737 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18737 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18737 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18737 30 1 5 "Average Difference" HN 71 0.487 -0.105 0.479 18737 31 1 6 "Average Difference" N 71 3.288 0.949 3.171 18737 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18737 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18737 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18737 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18737 36 1 6 "Average Difference" HN 71 0.501 -0.126 0.488 18737 37 1 7 "Average Difference" N 71 2.878 0.975 2.727 18737 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18737 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18737 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18737 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18737 42 1 7 "Average Difference" HN 71 0.492 -0.121 0.481 18737 43 1 8 "Average Difference" N 71 3.155 0.840 3.063 18737 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18737 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18737 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18737 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18737 48 1 8 "Average Difference" HN 71 0.509 -0.123 0.497 18737 49 1 9 "Average Difference" N 71 3.343 1.153 3.161 18737 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18737 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18737 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18737 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18737 54 1 9 "Average Difference" HN 71 0.449 -0.068 0.448 18737 55 1 10 "Average Difference" N 71 3.106 0.903 2.993 18737 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18737 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18737 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18737 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18737 60 1 10 "Average Difference" HN 71 0.473 -0.087 0.468 18737 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 18737 _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 2 122.408 122.408 123.335 -0.927 18737 2 1 . 1 1 2 2 GLN H H 2 8.945 8.945 8.394 0.551 18737 3 1 . 1 1 3 3 ILE N N 3 114.615 114.615 115.308 -0.693 18737 4 1 . 1 1 3 3 ILE H H 3 8.299 8.299 8.203 0.096 18737 5 1 . 1 1 4 4 PHE N N 4 118.379 118.379 121.230 -2.851 18737 6 1 . 1 1 4 4 PHE H H 4 8.579 8.579 8.945 -0.366 18737 7 1 . 1 1 5 5 VAL N N 5 120.954 120.954 122.009 -1.055 18737 8 1 . 1 1 5 5 VAL H H 5 9.296 9.296 8.964 0.332 18737 9 1 . 1 1 6 6 LYS N N 6 127.447 127.447 128.834 -1.387 18737 10 1 . 1 1 6 6 LYS H H 6 8.879 8.879 8.477 0.402 18737 11 1 . 1 1 7 7 THR N N 7 115.299 115.299 115.914 -0.615 18737 12 1 . 1 1 7 7 THR H H 7 8.744 8.744 8.223 0.521 18737 13 1 . 1 1 8 8 LEU N N 8 120.685 120.685 120.742 -0.057 18737 14 1 . 1 1 8 8 LEU H H 8 9.034 9.034 8.829 0.205 18737 15 1 . 1 1 9 9 THR N N 9 105.749 105.749 109.960 -4.211 18737 16 1 . 1 1 9 9 THR H H 9 7.669 7.669 7.694 -0.025 18737 17 1 . 1 1 10 10 GLY N N 10 108.810 108.810 109.648 -0.838 18737 18 1 . 1 1 10 10 GLY H H 10 7.833 7.833 7.666 0.167 18737 19 1 . 1 1 11 11 LYS N N 11 121.383 121.383 122.189 -0.806 18737 20 1 . 1 1 11 11 LYS H H 11 7.259 7.259 7.803 -0.544 18737 21 1 . 1 1 12 12 THR N N 12 120.278 120.278 119.558 0.720 18737 22 1 . 1 1 12 12 THR H H 12 8.651 8.651 8.322 0.329 18737 23 1 . 1 1 13 13 ILE N N 13 127.477 127.477 124.477 3.000 18737 24 1 . 1 1 13 13 ILE H H 13 9.540 9.540 8.574 0.966 18737 25 1 . 1 1 14 14 THR N N 14 121.613 121.613 119.213 2.400 18737 26 1 . 1 1 14 14 THR H H 14 8.750 8.750 8.358 0.392 18737 27 1 . 1 1 15 15 LEU N N 15 124.946 124.946 124.978 -0.032 18737 28 1 . 1 1 15 15 LEU H H 15 8.729 8.729 8.567 0.162 18737 29 1 . 1 1 16 16 GLU N N 16 122.227 122.227 123.233 -1.006 18737 30 1 . 1 1 16 16 GLU H H 16 8.141 8.141 8.477 -0.336 18737 31 1 . 1 1 17 17 VAL N N 17 117.285 117.285 120.567 -3.282 18737 32 1 . 1 1 17 17 VAL H H 17 8.941 8.941 8.129 0.812 18737 33 1 . 1 1 18 18 GLU N N 18 118.997 118.997 123.795 -4.798 18737 34 1 . 1 1 18 18 GLU H H 18 8.659 8.659 8.451 0.208 18737 35 1 . 1 1 20 20 SER N N 20 103.080 103.080 110.987 -7.907 18737 36 1 . 1 1 20 20 SER H H 20 7.035 7.035 8.111 -1.076 18737 37 1 . 1 1 21 21 ASP N N 21 123.134 123.134 121.802 1.332 18737 38 1 . 1 1 21 21 ASP H H 21 8.003 8.003 7.531 0.472 18737 39 1 . 1 1 22 22 THR N N 22 108.684 108.684 114.815 -6.131 18737 40 1 . 1 1 22 22 THR H H 22 7.893 7.893 8.291 -0.398 18737 41 1 . 1 1 23 23 ILE N N 23 120.936 120.936 124.141 -3.205 18737 42 1 . 1 1 23 23 ILE H H 23 8.543 8.543 8.924 -0.381 18737 43 1 . 1 1 24 24 GLU N N 24 120.830 120.830 119.890 0.940 18737 44 1 . 1 1 24 24 GLU H H 24 9.760 9.760 8.276 1.484 18737 45 1 . 1 1 25 25 ASN N N 25 121.026 121.026 118.358 2.668 18737 46 1 . 1 1 25 25 ASN H H 25 7.927 7.927 7.630 0.297 18737 47 1 . 1 1 26 26 VAL N N 26 121.828 121.828 120.833 0.995 18737 48 1 . 1 1 26 26 VAL H H 26 8.103 8.103 8.128 -0.025 18737 49 1 . 1 1 27 27 LYS N N 27 118.641 118.641 119.336 -0.695 18737 50 1 . 1 1 27 27 LYS H H 27 8.577 8.577 8.123 0.454 18737 51 1 . 1 1 28 28 ALA N N 28 123.566 123.566 122.006 1.560 18737 52 1 . 1 1 28 28 ALA H H 28 8.055 8.055 7.667 0.388 18737 53 1 . 1 1 29 29 LYS N N 29 119.910 119.910 119.516 0.394 18737 54 1 . 1 1 29 29 LYS H H 29 7.873 7.873 7.675 0.198 18737 55 1 . 1 1 30 30 ILE N N 30 120.937 120.937 119.940 0.997 18737 56 1 . 1 1 30 30 ILE H H 30 8.262 8.262 8.234 0.028 18737 57 1 . 1 1 31 31 GLN N N 31 123.250 123.250 119.862 3.388 18737 58 1 . 1 1 31 31 GLN H H 31 8.572 8.572 8.131 0.441 18737 59 1 . 1 1 32 32 ASP N N 32 119.468 119.468 118.883 0.585 18737 60 1 . 1 1 32 32 ASP H H 32 8.052 8.052 7.741 0.311 18737 61 1 . 1 1 33 33 LYS N N 33 115.157 115.157 119.276 -4.119 18737 62 1 . 1 1 33 33 LYS H H 33 7.447 7.447 7.522 -0.075 18737 63 1 . 1 1 34 34 GLU N N 34 113.856 113.856 116.813 -2.957 18737 64 1 . 1 1 34 34 GLU H H 34 8.719 8.719 8.313 0.406 18737 65 1 . 1 1 35 35 GLY N N 35 108.551 108.551 107.606 0.945 18737 66 1 . 1 1 35 35 GLY H H 35 8.507 8.507 7.870 0.637 18737 67 1 . 1 1 36 36 ILE N N 36 119.943 119.943 120.438 -0.495 18737 68 1 . 1 1 36 36 ILE H H 36 6.147 6.147 7.544 -1.397 18737 69 1 . 1 1 39 39 ASP N N 39 113.228 113.228 115.591 -2.363 18737 70 1 . 1 1 39 39 ASP H H 39 8.540 8.540 8.554 -0.014 18737 71 1 . 1 1 40 40 GLN N N 40 116.604 116.604 116.178 0.426 18737 72 1 . 1 1 40 40 GLN H H 40 7.761 7.761 7.568 0.193 18737 73 1 . 1 1 41 41 GLN N N 41 117.236 117.236 119.717 -2.481 18737 74 1 . 1 1 41 41 GLN H H 41 7.438 7.438 7.236 0.202 18737 75 1 . 1 1 42 42 ARG N N 42 122.253 122.253 125.088 -2.835 18737 76 1 . 1 1 42 42 ARG H H 42 8.381 8.381 8.323 0.058 18737 77 1 . 1 1 43 43 LEU N N 43 123.939 123.939 126.980 -3.041 18737 78 1 . 1 1 43 43 LEU H H 43 8.873 8.873 8.762 0.111 18737 79 1 . 1 1 44 44 ILE N N 44 122.126 122.126 122.753 -0.627 18737 80 1 . 1 1 44 44 ILE H H 44 9.147 9.147 8.747 0.400 18737 81 1 . 1 1 45 45 PHE N N 45 125.527 125.527 127.402 -1.875 18737 82 1 . 1 1 45 45 PHE H H 45 8.895 8.895 8.916 -0.021 18737 83 1 . 1 1 46 46 ALA N N 46 132.646 132.646 129.432 3.214 18737 84 1 . 1 1 46 46 ALA H H 46 9.033 9.033 8.717 0.316 18737 85 1 . 1 1 47 47 GLY N N 47 102.802 102.802 102.675 0.127 18737 86 1 . 1 1 47 47 GLY H H 47 8.265 8.265 8.298 -0.033 18737 87 1 . 1 1 48 48 LYS N N 48 121.141 121.141 121.745 -0.604 18737 88 1 . 1 1 48 48 LYS H H 48 7.956 7.956 7.787 0.169 18737 89 1 . 1 1 49 49 GLN N N 49 122.737 122.737 121.624 1.113 18737 90 1 . 1 1 49 49 GLN H H 49 8.693 8.693 8.536 0.157 18737 91 1 . 1 1 50 50 LEU N N 50 125.580 125.580 125.165 0.415 18737 92 1 . 1 1 50 50 LEU H H 50 8.575 8.575 8.281 0.294 18737 93 1 . 1 1 51 51 GLU N N 51 122.984 122.984 123.804 -0.820 18737 94 1 . 1 1 51 51 GLU H H 51 8.406 8.406 8.231 0.175 18737 95 1 . 1 1 52 52 ASP N N 52 120.142 120.142 127.080 -6.938 18737 96 1 . 1 1 52 52 ASP H H 52 8.163 8.163 8.856 -0.693 18737 97 1 . 1 1 53 53 GLY N N 53 108.221 108.221 106.218 2.003 18737 98 1 . 1 1 53 53 GLY H H 53 8.290 8.290 8.226 0.064 18737 99 1 . 1 1 54 54 ARG N N 54 119.053 119.053 120.009 -0.956 18737 100 1 . 1 1 54 54 ARG H H 54 7.487 7.487 8.083 -0.596 18737 101 1 . 1 1 55 55 THR N N 55 108.479 108.479 111.663 -3.184 18737 102 1 . 1 1 55 55 THR H H 55 8.833 8.833 8.269 0.564 18737 103 1 . 1 1 56 56 LEU N N 56 117.731 117.731 122.708 -4.977 18737 104 1 . 1 1 56 56 LEU H H 56 8.141 8.141 8.678 -0.537 18737 105 1 . 1 1 57 57 SER N N 57 113.175 113.175 114.023 -0.848 18737 106 1 . 1 1 57 57 SER H H 57 8.493 8.493 8.136 0.357 18737 107 1 . 1 1 58 58 ASP N N 58 124.176 124.176 122.926 1.250 18737 108 1 . 1 1 58 58 ASP H H 58 7.937 7.937 8.163 -0.226 18737 109 1 . 1 1 59 59 TYR N N 59 115.426 115.426 115.491 -0.065 18737 110 1 . 1 1 59 59 TYR H H 59 7.264 7.264 7.554 -0.290 18737 111 1 . 1 1 60 60 ASN N N 60 115.641 115.641 115.953 -0.312 18737 112 1 . 1 1 60 60 ASN H H 60 8.155 8.155 7.703 0.452 18737 113 1 . 1 1 61 61 ILE N N 61 118.537 118.537 120.399 -1.862 18737 114 1 . 1 1 61 61 ILE H H 61 7.229 7.229 8.101 -0.872 18737 115 1 . 1 1 62 62 GLN N N 62 124.612 124.612 125.390 -0.778 18737 116 1 . 1 1 62 62 GLN H H 62 7.632 7.632 8.238 -0.606 18737 117 1 . 1 1 63 63 LYS N N 63 120.190 120.190 119.309 0.881 18737 118 1 . 1 1 63 63 LYS H H 63 8.495 8.495 8.411 0.084 18737 119 1 . 1 1 64 64 GLU N N 64 114.252 114.252 117.943 -3.691 18737 120 1 . 1 1 64 64 GLU H H 64 9.302 9.302 8.531 0.771 18737 121 1 . 1 1 65 65 SER N N 65 114.586 114.586 113.497 1.089 18737 122 1 . 1 1 65 65 SER H H 65 7.654 7.654 7.555 0.099 18737 123 1 . 1 1 66 66 THR N N 66 117.176 117.176 118.498 -1.322 18737 124 1 . 1 1 66 66 THR H H 66 8.735 8.735 8.610 0.125 18737 125 1 . 1 1 67 67 LEU N N 67 127.152 127.152 128.514 -1.362 18737 126 1 . 1 1 67 67 LEU H H 67 9.359 9.359 8.926 0.433 18737 127 1 . 1 1 68 68 HIS N N 68 118.492 118.492 124.591 -6.099 18737 128 1 . 1 1 68 68 HIS H H 68 9.111 9.111 8.663 0.448 18737 129 1 . 1 1 69 69 LEU N N 69 125.249 125.249 130.842 -5.593 18737 130 1 . 1 1 69 69 LEU H H 69 8.721 8.721 8.491 0.230 18737 131 1 . 1 1 70 70 VAL N N 70 126.564 126.564 125.276 1.288 18737 132 1 . 1 1 70 70 VAL H H 70 9.191 9.191 8.857 0.334 18737 133 1 . 1 1 71 71 LEU N N 71 123.127 123.127 124.230 -1.103 18737 134 1 . 1 1 71 71 LEU H H 71 8.065 8.065 8.339 -0.274 18737 135 1 . 1 1 72 72 ARG N N 72 123.576 123.576 123.970 -0.394 18737 136 1 . 1 1 72 72 ARG H H 72 8.737 8.737 8.451 0.286 18737 137 1 . 1 1 73 73 LEU N N 73 123.544 123.544 122.134 1.410 18737 138 1 . 1 1 73 73 LEU H H 73 8.288 8.288 8.426 -0.138 18737 139 1 . 1 1 74 74 ARG N N 74 121.620 121.620 122.026 -0.406 18737 140 1 . 1 1 74 74 ARG H H 74 8.486 8.486 8.390 0.096 18737 141 1 . 1 1 75 75 GLY N N 75 109.865 109.865 108.626 1.239 18737 142 1 . 1 1 75 75 GLY H H 75 8.479 8.479 8.314 0.165 18737 stop_ save_