data_25296 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25296 _Entry.PDB_ID 2MW2 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 25296 _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 7 7 THR N N 7 112.417 112.417 114.886 -2.469 25296 2 1 1 . 1 1 8 8 LYS N N 8 121.105 121.105 121.834 -0.729 25296 3 1 1 . 1 1 9 9 THR N N 9 113.324 113.324 113.003 0.321 25296 4 1 1 . 1 1 10 10 ASP N N 10 121.834 121.834 122.742 -0.908 25296 5 1 1 . 1 1 11 11 TYR N N 11 116.789 116.789 119.086 -2.297 25296 6 1 1 . 1 1 12 12 LEU N N 12 121.549 121.549 121.796 -0.247 25296 7 1 1 . 1 1 13 13 MET N N 13 116.111 116.111 115.945 0.166 25296 8 1 1 . 1 1 14 14 ARG N N 14 117.417 117.417 119.145 -1.728 25296 9 1 1 . 1 1 15 15 LEU N N 15 119.519 119.519 118.712 0.807 25296 10 1 1 . 1 1 16 16 ARG N N 16 121.725 121.725 118.394 3.331 25296 11 1 1 . 1 1 17 17 ARG N N 17 115.267 115.267 116.868 -1.601 25296 12 1 1 . 1 1 18 18 CYS N N 18 120.960 120.960 120.505 0.455 25296 13 1 1 . 1 1 20 20 THR N N 20 106.710 106.710 109.923 -3.213 25296 14 1 1 . 1 1 21 21 ILE N N 21 124.640 124.640 116.580 8.060 25296 15 1 1 . 1 1 22 22 ASP N N 22 118.648 118.648 120.448 -1.800 25296 16 1 1 . 1 1 23 23 THR N N 23 115.236 115.236 115.898 -0.662 25296 17 1 1 . 1 1 24 24 LEU N N 24 124.130 124.130 122.783 1.347 25296 18 1 1 . 1 1 25 25 GLU N N 25 117.370 117.370 118.781 -1.411 25296 19 1 1 . 1 1 26 26 ARG N N 26 119.314 119.314 118.960 0.354 25296 20 1 1 . 1 1 27 27 VAL N N 27 122.593 122.593 121.148 1.445 25296 21 1 1 . 1 1 28 28 ILE N N 28 123.569 123.569 115.742 7.827 25296 22 1 1 . 1 1 29 29 GLU N N 29 118.032 118.032 120.593 -2.561 25296 23 1 1 . 1 1 30 30 LYS N N 30 116.536 116.536 118.049 -1.513 25296 24 1 1 . 1 1 31 31 ASN N N 31 117.098 117.098 118.845 -1.747 25296 25 1 1 . 1 1 32 32 LYS N N 32 119.676 119.676 119.623 0.053 25296 26 1 1 . 1 1 33 33 TYR N N 33 114.106 114.106 115.316 -1.210 25296 27 1 1 . 1 1 34 34 GLU N N 34 117.370 117.370 118.899 -1.529 25296 28 1 1 . 1 1 35 35 LEU N N 35 118.834 118.834 119.975 -1.141 25296 29 1 1 . 1 1 36 36 SER N N 36 116.159 116.159 115.891 0.268 25296 30 1 1 . 1 1 37 37 ASP N N 37 120.825 120.825 118.892 1.933 25296 31 1 1 . 1 1 37 37 ASP H H 37 8.838 8.838 8.291 0.547 25296 32 1 1 . 1 1 38 38 ASN N N 38 117.661 117.661 116.322 1.339 25296 33 1 1 . 1 1 39 39 GLU N N 39 120.404 120.404 119.222 1.182 25296 34 1 1 . 1 1 40 40 LEU N N 40 120.350 120.350 121.255 -0.905 25296 35 1 1 . 1 1 41 41 ALA N N 41 118.587 118.587 121.229 -2.642 25296 36 1 1 . 1 1 42 42 VAL N N 42 118.763 118.763 114.812 3.951 25296 37 1 1 . 1 1 43 43 PHE N N 43 123.354 123.354 122.904 0.450 25296 38 1 1 . 1 1 44 44 TYR N N 44 118.850 118.850 118.441 0.409 25296 39 1 1 . 1 1 45 45 SER N N 45 114.529 114.529 115.125 -0.596 25296 40 1 1 . 1 1 46 46 ALA N N 46 125.846 125.846 124.367 1.479 25296 41 1 1 . 1 1 47 47 ALA N N 47 123.097 123.097 121.227 1.870 25296 42 1 1 . 1 1 48 48 ASP N N 48 119.891 119.891 119.073 0.818 25296 43 1 1 . 1 1 49 49 HIS N N 49 119.869 119.869 120.156 -0.287 25296 44 1 1 . 1 1 50 50 ARG N N 50 118.614 118.614 119.873 -1.259 25296 45 1 1 . 1 1 51 51 LEU N N 51 121.642 121.642 119.987 1.655 25296 46 1 1 . 1 1 52 52 ALA N N 52 124.864 124.864 122.447 2.417 25296 47 1 1 . 1 1 53 53 GLU N N 53 117.347 117.347 118.291 -0.944 25296 48 1 1 . 1 1 54 54 LEU N N 54 118.288 118.288 120.250 -1.962 25296 49 1 1 . 1 1 55 55 THR N N 55 116.900 116.900 114.681 2.219 25296 50 1 1 . 1 1 56 56 MET N N 56 116.084 116.084 117.833 -1.749 25296 51 1 1 . 1 1 57 57 ASN N N 57 118.384 118.384 116.085 2.299 25296 52 1 1 . 1 1 58 58 LYS N N 58 117.541 117.541 118.397 -0.856 25296 53 1 1 . 1 1 59 59 LEU N N 59 117.548 117.548 126.948 -9.400 25296 54 1 1 . 1 1 60 60 TYR N N 60 120.559 120.559 122.937 -2.378 25296 55 1 1 . 1 1 62 62 LYS N N 62 118.741 118.741 119.475 -0.734 25296 56 1 1 . 1 1 63 63 ILE N N 63 127.142 127.142 122.034 5.108 25296 57 1 1 . 1 1 67 67 VAL N N 67 123.569 123.569 120.268 3.301 25296 58 1 1 . 1 1 68 68 TRP N N 68 118.947 118.947 119.654 -0.707 25296 59 1 1 . 1 1 69 69 LYS N N 69 117.130 117.130 119.787 -2.657 25296 60 1 1 . 1 1 70 70 PHE N N 70 118.929 118.929 115.442 3.487 25296 61 1 1 . 1 1 71 71 ILE N N 71 117.502 117.502 120.944 -3.442 25296 62 1 2 . 1 1 7 7 THR N N 7 112.417 112.417 116.289 -3.872 25296 63 1 2 . 1 1 8 8 LYS N N 8 121.105 121.105 123.923 -2.818 25296 64 1 2 . 1 1 9 9 THR N N 9 113.324 113.324 112.463 0.861 25296 65 1 2 . 1 1 10 10 ASP N N 10 121.834 121.834 122.693 -0.859 25296 66 1 2 . 1 1 11 11 TYR N N 11 116.789 116.789 118.635 -1.846 25296 67 1 2 . 1 1 12 12 LEU N N 12 121.549 121.549 121.741 -0.192 25296 68 1 2 . 1 1 13 13 MET N N 13 116.111 116.111 115.724 0.387 25296 69 1 2 . 1 1 14 14 ARG N N 14 117.417 117.417 120.578 -3.161 25296 70 1 2 . 1 1 15 15 LEU N N 15 119.519 119.519 118.349 1.170 25296 71 1 2 . 1 1 16 16 ARG N N 16 121.725 121.725 118.034 3.691 25296 72 1 2 . 1 1 17 17 ARG N N 17 115.267 115.267 118.153 -2.886 25296 73 1 2 . 1 1 18 18 CYS N N 18 120.960 120.960 120.357 0.603 25296 74 1 2 . 1 1 20 20 THR N N 20 106.710 106.710 112.724 -6.014 25296 75 1 2 . 1 1 21 21 ILE N N 21 124.640 124.640 115.313 9.327 25296 76 1 2 . 1 1 22 22 ASP N N 22 118.648 118.648 120.847 -2.199 25296 77 1 2 . 1 1 23 23 THR N N 23 115.236 115.236 115.344 -0.108 25296 78 1 2 . 1 1 24 24 LEU N N 24 124.130 124.130 123.258 0.872 25296 79 1 2 . 1 1 25 25 GLU N N 25 117.370 117.370 119.804 -2.434 25296 80 1 2 . 1 1 26 26 ARG N N 26 119.314 119.314 118.801 0.513 25296 81 1 2 . 1 1 27 27 VAL N N 27 122.593 122.593 121.146 1.447 25296 82 1 2 . 1 1 28 28 ILE N N 28 123.569 123.569 115.506 8.063 25296 83 1 2 . 1 1 29 29 GLU N N 29 118.032 118.032 121.061 -3.029 25296 84 1 2 . 1 1 30 30 LYS N N 30 116.536 116.536 118.089 -1.553 25296 85 1 2 . 1 1 31 31 ASN N N 31 117.098 117.098 117.677 -0.579 25296 86 1 2 . 1 1 32 32 LYS N N 32 119.676 119.676 120.154 -0.478 25296 87 1 2 . 1 1 33 33 TYR N N 33 114.106 114.106 115.351 -1.245 25296 88 1 2 . 1 1 34 34 GLU N N 34 117.370 117.370 118.405 -1.035 25296 89 1 2 . 1 1 35 35 LEU N N 35 118.834 118.834 121.416 -2.582 25296 90 1 2 . 1 1 36 36 SER N N 36 116.159 116.159 115.264 0.895 25296 91 1 2 . 1 1 37 37 ASP N N 37 120.825 120.825 119.221 1.604 25296 92 1 2 . 1 1 37 37 ASP H H 37 8.838 8.838 8.464 0.373 25296 93 1 2 . 1 1 38 38 ASN N N 38 117.661 117.661 117.769 -0.108 25296 94 1 2 . 1 1 39 39 GLU N N 39 120.404 120.404 117.398 3.006 25296 95 1 2 . 1 1 40 40 LEU N N 40 120.350 120.350 121.118 -0.768 25296 96 1 2 . 1 1 41 41 ALA N N 41 118.587 118.587 120.788 -2.201 25296 97 1 2 . 1 1 42 42 VAL N N 42 118.763 118.763 112.757 6.006 25296 98 1 2 . 1 1 43 43 PHE N N 43 123.354 123.354 123.733 -0.379 25296 99 1 2 . 1 1 44 44 TYR N N 44 118.850 118.850 119.058 -0.208 25296 100 1 2 . 1 1 45 45 SER N N 45 114.529 114.529 112.958 1.571 25296 101 1 2 . 1 1 46 46 ALA N N 46 125.846 125.846 122.390 3.456 25296 102 1 2 . 1 1 47 47 ALA N N 47 123.097 123.097 122.790 0.307 25296 103 1 2 . 1 1 48 48 ASP N N 48 119.891 119.891 119.065 0.826 25296 104 1 2 . 1 1 49 49 HIS N N 49 119.869 119.869 119.923 -0.054 25296 105 1 2 . 1 1 50 50 ARG N N 50 118.614 118.614 119.667 -1.053 25296 106 1 2 . 1 1 51 51 LEU N N 51 121.642 121.642 120.497 1.145 25296 107 1 2 . 1 1 52 52 ALA N N 52 124.864 124.864 121.694 3.170 25296 108 1 2 . 1 1 53 53 GLU N N 53 117.347 117.347 118.453 -1.106 25296 109 1 2 . 1 1 54 54 LEU N N 54 118.288 118.288 121.219 -2.931 25296 110 1 2 . 1 1 55 55 THR N N 55 116.900 116.900 115.067 1.833 25296 111 1 2 . 1 1 56 56 MET N N 56 116.084 116.084 117.923 -1.839 25296 112 1 2 . 1 1 57 57 ASN N N 57 118.384 118.384 116.740 1.644 25296 113 1 2 . 1 1 58 58 LYS N N 58 117.541 117.541 117.795 -0.254 25296 114 1 2 . 1 1 59 59 LEU N N 59 117.548 117.548 125.088 -7.540 25296 115 1 2 . 1 1 60 60 TYR N N 60 120.559 120.559 124.013 -3.454 25296 116 1 2 . 1 1 62 62 LYS N N 62 118.741 118.741 120.548 -1.807 25296 117 1 2 . 1 1 63 63 ILE N N 63 127.142 127.142 125.675 1.467 25296 118 1 2 . 1 1 67 67 VAL N N 67 123.569 123.569 123.807 -0.238 25296 119 1 2 . 1 1 68 68 TRP N N 68 118.947 118.947 118.869 0.078 25296 120 1 2 . 1 1 69 69 LYS N N 69 117.130 117.130 120.075 -2.945 25296 121 1 2 . 1 1 70 70 PHE N N 70 118.929 118.929 116.215 2.714 25296 122 1 2 . 1 1 71 71 ILE N N 71 117.502 117.502 119.270 -1.768 25296 123 1 3 . 1 1 7 7 THR N N 7 112.417 112.417 115.662 -3.245 25296 124 1 3 . 1 1 8 8 LYS N N 8 121.105 121.105 124.073 -2.968 25296 125 1 3 . 1 1 9 9 THR N N 9 113.324 113.324 112.573 0.751 25296 126 1 3 . 1 1 10 10 ASP N N 10 121.834 121.834 123.117 -1.283 25296 127 1 3 . 1 1 11 11 TYR N N 11 116.789 116.789 119.131 -2.342 25296 128 1 3 . 1 1 12 12 LEU N N 12 121.549 121.549 121.961 -0.412 25296 129 1 3 . 1 1 13 13 MET N N 13 116.111 116.111 116.967 -0.856 25296 130 1 3 . 1 1 14 14 ARG N N 14 117.417 117.417 119.459 -2.042 25296 131 1 3 . 1 1 15 15 LEU N N 15 119.519 119.519 117.635 1.884 25296 132 1 3 . 1 1 16 16 ARG N N 16 121.725 121.725 118.378 3.347 25296 133 1 3 . 1 1 17 17 ARG N N 17 115.267 115.267 117.248 -1.981 25296 134 1 3 . 1 1 18 18 CYS N N 18 120.960 120.960 119.198 1.762 25296 135 1 3 . 1 1 20 20 THR N N 20 106.710 106.710 113.013 -6.303 25296 136 1 3 . 1 1 21 21 ILE N N 21 124.640 124.640 116.282 8.358 25296 137 1 3 . 1 1 22 22 ASP N N 22 118.648 118.648 120.729 -2.081 25296 138 1 3 . 1 1 23 23 THR N N 23 115.236 115.236 115.689 -0.453 25296 139 1 3 . 1 1 24 24 LEU N N 24 124.130 124.130 122.528 1.602 25296 140 1 3 . 1 1 25 25 GLU N N 25 117.370 117.370 118.709 -1.339 25296 141 1 3 . 1 1 26 26 ARG N N 26 119.314 119.314 118.807 0.507 25296 142 1 3 . 1 1 27 27 VAL N N 27 122.593 122.593 121.485 1.108 25296 143 1 3 . 1 1 28 28 ILE N N 28 123.569 123.569 116.660 6.909 25296 144 1 3 . 1 1 29 29 GLU N N 29 118.032 118.032 121.004 -2.972 25296 145 1 3 . 1 1 30 30 LYS N N 30 116.536 116.536 117.781 -1.245 25296 146 1 3 . 1 1 31 31 ASN N N 31 117.098 117.098 118.883 -1.785 25296 147 1 3 . 1 1 32 32 LYS N N 32 119.676 119.676 117.121 2.555 25296 148 1 3 . 1 1 33 33 TYR N N 33 114.106 114.106 114.290 -0.184 25296 149 1 3 . 1 1 34 34 GLU N N 34 117.370 117.370 117.871 -0.501 25296 150 1 3 . 1 1 35 35 LEU N N 35 118.834 118.834 119.544 -0.710 25296 151 1 3 . 1 1 36 36 SER N N 36 116.159 116.159 115.710 0.449 25296 152 1 3 . 1 1 37 37 ASP N N 37 120.825 120.825 118.352 2.473 25296 153 1 3 . 1 1 37 37 ASP H H 37 8.838 8.838 8.595 0.243 25296 154 1 3 . 1 1 38 38 ASN N N 38 117.661 117.661 116.231 1.430 25296 155 1 3 . 1 1 39 39 GLU N N 39 120.404 120.404 118.478 1.926 25296 156 1 3 . 1 1 40 40 LEU N N 40 120.350 120.350 122.093 -1.743 25296 157 1 3 . 1 1 41 41 ALA N N 41 118.587 118.587 121.163 -2.576 25296 158 1 3 . 1 1 42 42 VAL N N 42 118.763 118.763 118.678 0.085 25296 159 1 3 . 1 1 43 43 PHE N N 43 123.354 123.354 122.217 1.137 25296 160 1 3 . 1 1 44 44 TYR N N 44 118.850 118.850 118.895 -0.045 25296 161 1 3 . 1 1 45 45 SER N N 45 114.529 114.529 115.509 -0.980 25296 162 1 3 . 1 1 46 46 ALA N N 46 125.846 125.846 123.814 2.032 25296 163 1 3 . 1 1 47 47 ALA N N 47 123.097 123.097 121.271 1.826 25296 164 1 3 . 1 1 48 48 ASP N N 48 119.891 119.891 118.800 1.091 25296 165 1 3 . 1 1 49 49 HIS N N 49 119.869 119.869 119.625 0.244 25296 166 1 3 . 1 1 50 50 ARG N N 50 118.614 118.614 120.221 -1.607 25296 167 1 3 . 1 1 51 51 LEU N N 51 121.642 121.642 120.075 1.567 25296 168 1 3 . 1 1 52 52 ALA N N 52 124.864 124.864 122.074 2.790 25296 169 1 3 . 1 1 53 53 GLU N N 53 117.347 117.347 118.389 -1.042 25296 170 1 3 . 1 1 54 54 LEU N N 54 118.288 118.288 121.388 -3.100 25296 171 1 3 . 1 1 55 55 THR N N 55 116.900 116.900 114.687 2.213 25296 172 1 3 . 1 1 56 56 MET N N 56 116.084 116.084 118.091 -2.007 25296 173 1 3 . 1 1 57 57 ASN N N 57 118.384 118.384 117.208 1.176 25296 174 1 3 . 1 1 58 58 LYS N N 58 117.541 117.541 118.220 -0.679 25296 175 1 3 . 1 1 59 59 LEU N N 59 117.548 117.548 124.628 -7.080 25296 176 1 3 . 1 1 60 60 TYR N N 60 120.559 120.559 124.483 -3.924 25296 177 1 3 . 1 1 62 62 LYS N N 62 118.741 118.741 119.020 -0.279 25296 178 1 3 . 1 1 63 63 ILE N N 63 127.142 127.142 122.732 4.410 25296 179 1 3 . 1 1 67 67 VAL N N 67 123.569 123.569 120.847 2.722 25296 180 1 3 . 1 1 68 68 TRP N N 68 118.947 118.947 119.981 -1.034 25296 181 1 3 . 1 1 69 69 LYS N N 69 117.130 117.130 120.171 -3.041 25296 182 1 3 . 1 1 70 70 PHE N N 70 118.929 118.929 115.196 3.733 25296 183 1 3 . 1 1 71 71 ILE N N 71 117.502 117.502 120.451 -2.949 25296 184 1 4 . 1 1 7 7 THR N N 7 112.417 112.417 116.363 -3.946 25296 185 1 4 . 1 1 8 8 LYS N N 8 121.105 121.105 124.219 -3.114 25296 186 1 4 . 1 1 9 9 THR N N 9 113.324 113.324 111.225 2.099 25296 187 1 4 . 1 1 10 10 ASP N N 10 121.834 121.834 122.879 -1.045 25296 188 1 4 . 1 1 11 11 TYR N N 11 116.789 116.789 119.519 -2.730 25296 189 1 4 . 1 1 12 12 LEU N N 12 121.549 121.549 121.293 0.256 25296 190 1 4 . 1 1 13 13 MET N N 13 116.111 116.111 115.864 0.247 25296 191 1 4 . 1 1 14 14 ARG N N 14 117.417 117.417 119.391 -1.974 25296 192 1 4 . 1 1 15 15 LEU N N 15 119.519 119.519 116.428 3.091 25296 193 1 4 . 1 1 16 16 ARG N N 16 121.725 121.725 118.933 2.792 25296 194 1 4 . 1 1 17 17 ARG N N 17 115.267 115.267 116.295 -1.028 25296 195 1 4 . 1 1 18 18 CYS N N 18 120.960 120.960 119.437 1.523 25296 196 1 4 . 1 1 20 20 THR N N 20 106.710 106.710 113.047 -6.337 25296 197 1 4 . 1 1 21 21 ILE N N 21 124.640 124.640 116.299 8.341 25296 198 1 4 . 1 1 22 22 ASP N N 22 118.648 118.648 121.497 -2.849 25296 199 1 4 . 1 1 23 23 THR N N 23 115.236 115.236 112.985 2.251 25296 200 1 4 . 1 1 24 24 LEU N N 24 124.130 124.130 123.191 0.939 25296 201 1 4 . 1 1 25 25 GLU N N 25 117.370 117.370 116.446 0.924 25296 202 1 4 . 1 1 26 26 ARG N N 26 119.314 119.314 118.862 0.452 25296 203 1 4 . 1 1 27 27 VAL N N 27 122.593 122.593 121.416 1.177 25296 204 1 4 . 1 1 28 28 ILE N N 28 123.569 123.569 116.204 7.365 25296 205 1 4 . 1 1 29 29 GLU N N 29 118.032 118.032 120.941 -2.909 25296 206 1 4 . 1 1 30 30 LYS N N 30 116.536 116.536 119.005 -2.469 25296 207 1 4 . 1 1 31 31 ASN N N 31 117.098 117.098 118.021 -0.923 25296 208 1 4 . 1 1 32 32 LYS N N 32 119.676 119.676 119.826 -0.150 25296 209 1 4 . 1 1 33 33 TYR N N 33 114.106 114.106 114.417 -0.311 25296 210 1 4 . 1 1 34 34 GLU N N 34 117.370 117.370 118.327 -0.957 25296 211 1 4 . 1 1 35 35 LEU N N 35 118.834 118.834 119.210 -0.376 25296 212 1 4 . 1 1 36 36 SER N N 36 116.159 116.159 115.358 0.801 25296 213 1 4 . 1 1 37 37 ASP N N 37 120.825 120.825 118.403 2.422 25296 214 1 4 . 1 1 37 37 ASP H H 37 8.838 8.838 8.356 0.482 25296 215 1 4 . 1 1 38 38 ASN N N 38 117.661 117.661 116.353 1.308 25296 216 1 4 . 1 1 39 39 GLU N N 39 120.404 120.404 119.114 1.290 25296 217 1 4 . 1 1 40 40 LEU N N 40 120.350 120.350 121.536 -1.186 25296 218 1 4 . 1 1 41 41 ALA N N 41 118.587 118.587 121.612 -3.025 25296 219 1 4 . 1 1 42 42 VAL N N 42 118.763 118.763 115.342 3.421 25296 220 1 4 . 1 1 43 43 PHE N N 43 123.354 123.354 122.533 0.821 25296 221 1 4 . 1 1 44 44 TYR N N 44 118.850 118.850 118.693 0.157 25296 222 1 4 . 1 1 45 45 SER N N 45 114.529 114.529 114.967 -0.438 25296 223 1 4 . 1 1 46 46 ALA N N 46 125.846 125.846 123.780 2.066 25296 224 1 4 . 1 1 47 47 ALA N N 47 123.097 123.097 121.647 1.450 25296 225 1 4 . 1 1 48 48 ASP N N 48 119.891 119.891 119.132 0.759 25296 226 1 4 . 1 1 49 49 HIS N N 49 119.869 119.869 119.577 0.292 25296 227 1 4 . 1 1 50 50 ARG N N 50 118.614 118.614 119.811 -1.197 25296 228 1 4 . 1 1 51 51 LEU N N 51 121.642 121.642 120.198 1.444 25296 229 1 4 . 1 1 52 52 ALA N N 52 124.864 124.864 122.173 2.691 25296 230 1 4 . 1 1 53 53 GLU N N 53 117.347 117.347 118.104 -0.757 25296 231 1 4 . 1 1 54 54 LEU N N 54 118.288 118.288 121.056 -2.768 25296 232 1 4 . 1 1 55 55 THR N N 55 116.900 116.900 115.310 1.590 25296 233 1 4 . 1 1 56 56 MET N N 56 116.084 116.084 117.393 -1.309 25296 234 1 4 . 1 1 57 57 ASN N N 57 118.384 118.384 116.607 1.777 25296 235 1 4 . 1 1 58 58 LYS N N 58 117.541 117.541 119.409 -1.868 25296 236 1 4 . 1 1 59 59 LEU N N 59 117.548 117.548 125.212 -7.664 25296 237 1 4 . 1 1 60 60 TYR N N 60 120.559 120.559 125.256 -4.697 25296 238 1 4 . 1 1 62 62 LYS N N 62 118.741 118.741 119.144 -0.403 25296 239 1 4 . 1 1 63 63 ILE N N 63 127.142 127.142 125.934 1.208 25296 240 1 4 . 1 1 67 67 VAL N N 67 123.569 123.569 120.711 2.858 25296 241 1 4 . 1 1 68 68 TRP N N 68 118.947 118.947 120.102 -1.155 25296 242 1 4 . 1 1 69 69 LYS N N 69 117.130 117.130 119.381 -2.251 25296 243 1 4 . 1 1 70 70 PHE N N 70 118.929 118.929 115.956 2.973 25296 244 1 4 . 1 1 71 71 ILE N N 71 117.502 117.502 120.426 -2.924 25296 245 1 5 . 1 1 7 7 THR N N 7 112.417 112.417 115.359 -2.942 25296 246 1 5 . 1 1 8 8 LYS N N 8 121.105 121.105 121.613 -0.508 25296 247 1 5 . 1 1 9 9 THR N N 9 113.324 113.324 114.673 -1.349 25296 248 1 5 . 1 1 10 10 ASP N N 10 121.834 121.834 122.384 -0.550 25296 249 1 5 . 1 1 11 11 TYR N N 11 116.789 116.789 118.756 -1.967 25296 250 1 5 . 1 1 12 12 LEU N N 12 121.549 121.549 122.502 -0.953 25296 251 1 5 . 1 1 13 13 MET N N 13 116.111 116.111 115.841 0.270 25296 252 1 5 . 1 1 14 14 ARG N N 14 117.417 117.417 119.128 -1.711 25296 253 1 5 . 1 1 15 15 LEU N N 15 119.519 119.519 117.855 1.664 25296 254 1 5 . 1 1 16 16 ARG N N 16 121.725 121.725 118.891 2.834 25296 255 1 5 . 1 1 17 17 ARG N N 17 115.267 115.267 116.680 -1.413 25296 256 1 5 . 1 1 18 18 CYS N N 18 120.960 120.960 120.868 0.092 25296 257 1 5 . 1 1 20 20 THR N N 20 106.710 106.710 109.465 -2.755 25296 258 1 5 . 1 1 21 21 ILE N N 21 124.640 124.640 115.891 8.749 25296 259 1 5 . 1 1 22 22 ASP N N 22 118.648 118.648 120.513 -1.865 25296 260 1 5 . 1 1 23 23 THR N N 23 115.236 115.236 115.936 -0.700 25296 261 1 5 . 1 1 24 24 LEU N N 24 124.130 124.130 123.169 0.961 25296 262 1 5 . 1 1 25 25 GLU N N 25 117.370 117.370 118.300 -0.930 25296 263 1 5 . 1 1 26 26 ARG N N 26 119.314 119.314 117.756 1.558 25296 264 1 5 . 1 1 27 27 VAL N N 27 122.593 122.593 121.908 0.685 25296 265 1 5 . 1 1 28 28 ILE N N 28 123.569 123.569 115.914 7.655 25296 266 1 5 . 1 1 29 29 GLU N N 29 118.032 118.032 121.389 -3.357 25296 267 1 5 . 1 1 30 30 LYS N N 30 116.536 116.536 118.725 -2.189 25296 268 1 5 . 1 1 31 31 ASN N N 31 117.098 117.098 117.057 0.041 25296 269 1 5 . 1 1 32 32 LYS N N 32 119.676 119.676 120.650 -0.974 25296 270 1 5 . 1 1 33 33 TYR N N 33 114.106 114.106 113.998 0.108 25296 271 1 5 . 1 1 34 34 GLU N N 34 117.370 117.370 118.707 -1.337 25296 272 1 5 . 1 1 35 35 LEU N N 35 118.834 118.834 119.423 -0.589 25296 273 1 5 . 1 1 36 36 SER N N 36 116.159 116.159 115.497 0.662 25296 274 1 5 . 1 1 37 37 ASP N N 37 120.825 120.825 118.100 2.725 25296 275 1 5 . 1 1 37 37 ASP H H 37 8.838 8.838 8.328 0.510 25296 276 1 5 . 1 1 38 38 ASN N N 38 117.661 117.661 116.516 1.145 25296 277 1 5 . 1 1 39 39 GLU N N 39 120.404 120.404 119.180 1.224 25296 278 1 5 . 1 1 40 40 LEU N N 40 120.350 120.350 120.372 -0.022 25296 279 1 5 . 1 1 41 41 ALA N N 41 118.587 118.587 120.348 -1.761 25296 280 1 5 . 1 1 42 42 VAL N N 42 118.763 118.763 113.822 4.941 25296 281 1 5 . 1 1 43 43 PHE N N 43 123.354 123.354 123.096 0.258 25296 282 1 5 . 1 1 44 44 TYR N N 44 118.850 118.850 118.812 0.038 25296 283 1 5 . 1 1 45 45 SER N N 45 114.529 114.529 114.208 0.321 25296 284 1 5 . 1 1 46 46 ALA N N 46 125.846 125.846 123.991 1.855 25296 285 1 5 . 1 1 47 47 ALA N N 47 123.097 123.097 120.804 2.293 25296 286 1 5 . 1 1 48 48 ASP N N 48 119.891 119.891 118.865 1.026 25296 287 1 5 . 1 1 49 49 HIS N N 49 119.869 119.869 119.439 0.430 25296 288 1 5 . 1 1 50 50 ARG N N 50 118.614 118.614 120.225 -1.611 25296 289 1 5 . 1 1 51 51 LEU N N 51 121.642 121.642 119.702 1.940 25296 290 1 5 . 1 1 52 52 ALA N N 52 124.864 124.864 122.470 2.394 25296 291 1 5 . 1 1 53 53 GLU N N 53 117.347 117.347 117.893 -0.546 25296 292 1 5 . 1 1 54 54 LEU N N 54 118.288 118.288 120.285 -1.997 25296 293 1 5 . 1 1 55 55 THR N N 55 116.900 116.900 114.688 2.212 25296 294 1 5 . 1 1 56 56 MET N N 56 116.084 116.084 117.697 -1.613 25296 295 1 5 . 1 1 57 57 ASN N N 57 118.384 118.384 116.382 2.002 25296 296 1 5 . 1 1 58 58 LYS N N 58 117.541 117.541 118.226 -0.685 25296 297 1 5 . 1 1 59 59 LEU N N 59 117.548 117.548 126.336 -8.788 25296 298 1 5 . 1 1 60 60 TYR N N 60 120.559 120.559 123.120 -2.561 25296 299 1 5 . 1 1 62 62 LYS N N 62 118.741 118.741 117.748 0.993 25296 300 1 5 . 1 1 63 63 ILE N N 63 127.142 127.142 119.961 7.181 25296 301 1 5 . 1 1 67 67 VAL N N 67 123.569 123.569 120.240 3.329 25296 302 1 5 . 1 1 68 68 TRP N N 68 118.947 118.947 120.797 -1.850 25296 303 1 5 . 1 1 69 69 LYS N N 69 117.130 117.130 118.919 -1.789 25296 304 1 5 . 1 1 70 70 PHE N N 70 118.929 118.929 116.284 2.645 25296 305 1 5 . 1 1 71 71 ILE N N 71 117.502 117.502 119.659 -2.157 25296 306 1 6 . 1 1 7 7 THR N N 7 112.417 112.417 115.282 -2.865 25296 307 1 6 . 1 1 8 8 LYS N N 8 121.105 121.105 122.925 -1.820 25296 308 1 6 . 1 1 9 9 THR N N 9 113.324 113.324 111.481 1.843 25296 309 1 6 . 1 1 10 10 ASP N N 10 121.834 121.834 122.775 -0.941 25296 310 1 6 . 1 1 11 11 TYR N N 11 116.789 116.789 118.796 -2.007 25296 311 1 6 . 1 1 12 12 LEU N N 12 121.549 121.549 122.025 -0.476 25296 312 1 6 . 1 1 13 13 MET N N 13 116.111 116.111 115.194 0.917 25296 313 1 6 . 1 1 14 14 ARG N N 14 117.417 117.417 120.840 -3.423 25296 314 1 6 . 1 1 15 15 LEU N N 15 119.519 119.519 118.393 1.126 25296 315 1 6 . 1 1 16 16 ARG N N 16 121.725 121.725 118.158 3.567 25296 316 1 6 . 1 1 17 17 ARG N N 17 115.267 115.267 117.038 -1.771 25296 317 1 6 . 1 1 18 18 CYS N N 18 120.960 120.960 121.665 -0.705 25296 318 1 6 . 1 1 20 20 THR N N 20 106.710 106.710 112.734 -6.024 25296 319 1 6 . 1 1 21 21 ILE N N 21 124.640 124.640 114.958 9.682 25296 320 1 6 . 1 1 22 22 ASP N N 22 118.648 118.648 120.748 -2.100 25296 321 1 6 . 1 1 23 23 THR N N 23 115.236 115.236 115.839 -0.603 25296 322 1 6 . 1 1 24 24 LEU N N 24 124.130 124.130 122.929 1.201 25296 323 1 6 . 1 1 25 25 GLU N N 25 117.370 117.370 119.247 -1.877 25296 324 1 6 . 1 1 26 26 ARG N N 26 119.314 119.314 118.640 0.674 25296 325 1 6 . 1 1 27 27 VAL N N 27 122.593 122.593 120.910 1.683 25296 326 1 6 . 1 1 28 28 ILE N N 28 123.569 123.569 116.112 7.457 25296 327 1 6 . 1 1 29 29 GLU N N 29 118.032 118.032 120.361 -2.329 25296 328 1 6 . 1 1 30 30 LYS N N 30 116.536 116.536 118.542 -2.006 25296 329 1 6 . 1 1 31 31 ASN N N 31 117.098 117.098 117.808 -0.710 25296 330 1 6 . 1 1 32 32 LYS N N 32 119.676 119.676 119.786 -0.110 25296 331 1 6 . 1 1 33 33 TYR N N 33 114.106 114.106 114.061 0.045 25296 332 1 6 . 1 1 34 34 GLU N N 34 117.370 117.370 118.328 -0.958 25296 333 1 6 . 1 1 35 35 LEU N N 35 118.834 118.834 121.191 -2.357 25296 334 1 6 . 1 1 36 36 SER N N 36 116.159 116.159 115.288 0.871 25296 335 1 6 . 1 1 37 37 ASP N N 37 120.825 120.825 119.342 1.483 25296 336 1 6 . 1 1 37 37 ASP H H 37 8.838 8.838 8.691 0.147 25296 337 1 6 . 1 1 38 38 ASN N N 38 117.661 117.661 118.887 -1.226 25296 338 1 6 . 1 1 39 39 GLU N N 39 120.404 120.404 117.276 3.128 25296 339 1 6 . 1 1 40 40 LEU N N 40 120.350 120.350 121.374 -1.024 25296 340 1 6 . 1 1 41 41 ALA N N 41 118.587 118.587 121.503 -2.916 25296 341 1 6 . 1 1 42 42 VAL N N 42 118.763 118.763 114.664 4.099 25296 342 1 6 . 1 1 43 43 PHE N N 43 123.354 123.354 122.225 1.129 25296 343 1 6 . 1 1 44 44 TYR N N 44 118.850 118.850 118.907 -0.057 25296 344 1 6 . 1 1 45 45 SER N N 45 114.529 114.529 114.718 -0.189 25296 345 1 6 . 1 1 46 46 ALA N N 46 125.846 125.846 124.519 1.327 25296 346 1 6 . 1 1 47 47 ALA N N 47 123.097 123.097 121.209 1.888 25296 347 1 6 . 1 1 48 48 ASP N N 48 119.891 119.891 119.123 0.768 25296 348 1 6 . 1 1 49 49 HIS N N 49 119.869 119.869 120.406 -0.537 25296 349 1 6 . 1 1 50 50 ARG N N 50 118.614 118.614 119.615 -1.001 25296 350 1 6 . 1 1 51 51 LEU N N 51 121.642 121.642 119.935 1.707 25296 351 1 6 . 1 1 52 52 ALA N N 52 124.864 124.864 121.885 2.979 25296 352 1 6 . 1 1 53 53 GLU N N 53 117.347 117.347 117.849 -0.502 25296 353 1 6 . 1 1 54 54 LEU N N 54 118.288 118.288 121.546 -3.258 25296 354 1 6 . 1 1 55 55 THR N N 55 116.900 116.900 114.614 2.286 25296 355 1 6 . 1 1 56 56 MET N N 56 116.084 116.084 117.510 -1.426 25296 356 1 6 . 1 1 57 57 ASN N N 57 118.384 118.384 115.944 2.440 25296 357 1 6 . 1 1 58 58 LYS N N 58 117.541 117.541 119.138 -1.597 25296 358 1 6 . 1 1 59 59 LEU N N 59 117.548 117.548 125.105 -7.557 25296 359 1 6 . 1 1 60 60 TYR N N 60 120.559 120.559 124.250 -3.691 25296 360 1 6 . 1 1 62 62 LYS N N 62 118.741 118.741 119.780 -1.039 25296 361 1 6 . 1 1 63 63 ILE N N 63 127.142 127.142 123.893 3.249 25296 362 1 6 . 1 1 67 67 VAL N N 67 123.569 123.569 121.063 2.506 25296 363 1 6 . 1 1 68 68 TRP N N 68 118.947 118.947 120.853 -1.906 25296 364 1 6 . 1 1 69 69 LYS N N 69 117.130 117.130 118.274 -1.144 25296 365 1 6 . 1 1 70 70 PHE N N 70 118.929 118.929 116.607 2.322 25296 366 1 6 . 1 1 71 71 ILE N N 71 117.502 117.502 120.759 -3.257 25296 367 1 7 . 1 1 7 7 THR N N 7 112.417 112.417 114.178 -1.761 25296 368 1 7 . 1 1 8 8 LYS N N 8 121.105 121.105 123.003 -1.898 25296 369 1 7 . 1 1 9 9 THR N N 9 113.324 113.324 112.530 0.794 25296 370 1 7 . 1 1 10 10 ASP N N 10 121.834 121.834 122.977 -1.143 25296 371 1 7 . 1 1 11 11 TYR N N 11 116.789 116.789 118.632 -1.843 25296 372 1 7 . 1 1 12 12 LEU N N 12 121.549 121.549 121.458 0.091 25296 373 1 7 . 1 1 13 13 MET N N 13 116.111 116.111 116.335 -0.224 25296 374 1 7 . 1 1 14 14 ARG N N 14 117.417 117.417 120.090 -2.673 25296 375 1 7 . 1 1 15 15 LEU N N 15 119.519 119.519 116.714 2.805 25296 376 1 7 . 1 1 16 16 ARG N N 16 121.725 121.725 118.950 2.775 25296 377 1 7 . 1 1 17 17 ARG N N 17 115.267 115.267 116.387 -1.120 25296 378 1 7 . 1 1 18 18 CYS N N 18 120.960 120.960 120.745 0.215 25296 379 1 7 . 1 1 20 20 THR N N 20 106.710 106.710 113.230 -6.520 25296 380 1 7 . 1 1 21 21 ILE N N 21 124.640 124.640 114.842 9.798 25296 381 1 7 . 1 1 22 22 ASP N N 22 118.648 118.648 120.520 -1.872 25296 382 1 7 . 1 1 23 23 THR N N 23 115.236 115.236 115.462 -0.226 25296 383 1 7 . 1 1 24 24 LEU N N 24 124.130 124.130 123.470 0.660 25296 384 1 7 . 1 1 25 25 GLU N N 25 117.370 117.370 118.365 -0.995 25296 385 1 7 . 1 1 26 26 ARG N N 26 119.314 119.314 118.101 1.213 25296 386 1 7 . 1 1 27 27 VAL N N 27 122.593 122.593 121.517 1.076 25296 387 1 7 . 1 1 28 28 ILE N N 28 123.569 123.569 115.711 7.858 25296 388 1 7 . 1 1 29 29 GLU N N 29 118.032 118.032 121.177 -3.145 25296 389 1 7 . 1 1 30 30 LYS N N 30 116.536 116.536 118.190 -1.654 25296 390 1 7 . 1 1 31 31 ASN N N 31 117.098 117.098 117.667 -0.569 25296 391 1 7 . 1 1 32 32 LYS N N 32 119.676 119.676 118.671 1.005 25296 392 1 7 . 1 1 33 33 TYR N N 33 114.106 114.106 114.769 -0.663 25296 393 1 7 . 1 1 34 34 GLU N N 34 117.370 117.370 118.173 -0.803 25296 394 1 7 . 1 1 35 35 LEU N N 35 118.834 118.834 120.496 -1.662 25296 395 1 7 . 1 1 36 36 SER N N 36 116.159 116.159 115.107 1.052 25296 396 1 7 . 1 1 37 37 ASP N N 37 120.825 120.825 117.838 2.987 25296 397 1 7 . 1 1 37 37 ASP H H 37 8.838 8.838 8.583 0.255 25296 398 1 7 . 1 1 38 38 ASN N N 38 117.661 117.661 116.628 1.033 25296 399 1 7 . 1 1 39 39 GLU N N 39 120.404 120.404 118.359 2.045 25296 400 1 7 . 1 1 40 40 LEU N N 40 120.350 120.350 120.878 -0.528 25296 401 1 7 . 1 1 41 41 ALA N N 41 118.587 118.587 120.914 -2.327 25296 402 1 7 . 1 1 42 42 VAL N N 42 118.763 118.763 114.491 4.272 25296 403 1 7 . 1 1 43 43 PHE N N 43 123.354 123.354 123.179 0.175 25296 404 1 7 . 1 1 44 44 TYR N N 44 118.850 118.850 117.579 1.271 25296 405 1 7 . 1 1 45 45 SER N N 45 114.529 114.529 114.115 0.414 25296 406 1 7 . 1 1 46 46 ALA N N 46 125.846 125.846 123.730 2.116 25296 407 1 7 . 1 1 47 47 ALA N N 47 123.097 123.097 122.067 1.030 25296 408 1 7 . 1 1 48 48 ASP N N 48 119.891 119.891 118.484 1.407 25296 409 1 7 . 1 1 49 49 HIS N N 49 119.869 119.869 120.071 -0.202 25296 410 1 7 . 1 1 50 50 ARG N N 50 118.614 118.614 119.623 -1.009 25296 411 1 7 . 1 1 51 51 LEU N N 51 121.642 121.642 120.217 1.425 25296 412 1 7 . 1 1 52 52 ALA N N 52 124.864 124.864 122.012 2.852 25296 413 1 7 . 1 1 53 53 GLU N N 53 117.347 117.347 117.921 -0.574 25296 414 1 7 . 1 1 54 54 LEU N N 54 118.288 118.288 121.366 -3.078 25296 415 1 7 . 1 1 55 55 THR N N 55 116.900 116.900 114.700 2.200 25296 416 1 7 . 1 1 56 56 MET N N 56 116.084 116.084 118.424 -2.340 25296 417 1 7 . 1 1 57 57 ASN N N 57 118.384 118.384 116.666 1.718 25296 418 1 7 . 1 1 58 58 LYS N N 58 117.541 117.541 117.920 -0.379 25296 419 1 7 . 1 1 59 59 LEU N N 59 117.548 117.548 126.113 -8.565 25296 420 1 7 . 1 1 60 60 TYR N N 60 120.559 120.559 125.701 -5.142 25296 421 1 7 . 1 1 62 62 LYS N N 62 118.741 118.741 119.658 -0.917 25296 422 1 7 . 1 1 63 63 ILE N N 63 127.142 127.142 123.955 3.187 25296 423 1 7 . 1 1 67 67 VAL N N 67 123.569 123.569 122.549 1.020 25296 424 1 7 . 1 1 68 68 TRP N N 68 118.947 118.947 119.833 -0.886 25296 425 1 7 . 1 1 69 69 LYS N N 69 117.130 117.130 120.085 -2.955 25296 426 1 7 . 1 1 70 70 PHE N N 70 118.929 118.929 115.474 3.455 25296 427 1 7 . 1 1 71 71 ILE N N 71 117.502 117.502 120.069 -2.567 25296 428 1 8 . 1 1 7 7 THR N N 7 112.417 112.417 115.277 -2.860 25296 429 1 8 . 1 1 8 8 LYS N N 8 121.105 121.105 123.035 -1.930 25296 430 1 8 . 1 1 9 9 THR N N 9 113.324 113.324 111.955 1.369 25296 431 1 8 . 1 1 10 10 ASP N N 10 121.834 121.834 122.789 -0.955 25296 432 1 8 . 1 1 11 11 TYR N N 11 116.789 116.789 118.952 -2.163 25296 433 1 8 . 1 1 12 12 LEU N N 12 121.549 121.549 121.729 -0.180 25296 434 1 8 . 1 1 13 13 MET N N 13 116.111 116.111 116.240 -0.129 25296 435 1 8 . 1 1 14 14 ARG N N 14 117.417 117.417 119.108 -1.691 25296 436 1 8 . 1 1 15 15 LEU N N 15 119.519 119.519 118.976 0.543 25296 437 1 8 . 1 1 16 16 ARG N N 16 121.725 121.725 117.042 4.683 25296 438 1 8 . 1 1 17 17 ARG N N 17 115.267 115.267 116.357 -1.090 25296 439 1 8 . 1 1 18 18 CYS N N 18 120.960 120.960 120.147 0.813 25296 440 1 8 . 1 1 20 20 THR N N 20 106.710 106.710 111.837 -5.127 25296 441 1 8 . 1 1 21 21 ILE N N 21 124.640 124.640 114.865 9.775 25296 442 1 8 . 1 1 22 22 ASP N N 22 118.648 118.648 120.581 -1.933 25296 443 1 8 . 1 1 23 23 THR N N 23 115.236 115.236 115.972 -0.736 25296 444 1 8 . 1 1 24 24 LEU N N 24 124.130 124.130 123.140 0.990 25296 445 1 8 . 1 1 25 25 GLU N N 25 117.370 117.370 119.368 -1.998 25296 446 1 8 . 1 1 26 26 ARG N N 26 119.314 119.314 118.788 0.526 25296 447 1 8 . 1 1 27 27 VAL N N 27 122.593 122.593 121.508 1.085 25296 448 1 8 . 1 1 28 28 ILE N N 28 123.569 123.569 116.681 6.888 25296 449 1 8 . 1 1 29 29 GLU N N 29 118.032 118.032 119.932 -1.900 25296 450 1 8 . 1 1 30 30 LYS N N 30 116.536 116.536 117.882 -1.346 25296 451 1 8 . 1 1 31 31 ASN N N 31 117.098 117.098 117.082 0.016 25296 452 1 8 . 1 1 32 32 LYS N N 32 119.676 119.676 118.766 0.910 25296 453 1 8 . 1 1 33 33 TYR N N 33 114.106 114.106 114.008 0.098 25296 454 1 8 . 1 1 34 34 GLU N N 34 117.370 117.370 118.396 -1.026 25296 455 1 8 . 1 1 35 35 LEU N N 35 118.834 118.834 119.852 -1.018 25296 456 1 8 . 1 1 36 36 SER N N 36 116.159 116.159 114.764 1.395 25296 457 1 8 . 1 1 37 37 ASP N N 37 120.825 120.825 117.787 3.038 25296 458 1 8 . 1 1 37 37 ASP H H 37 8.838 8.838 8.159 0.679 25296 459 1 8 . 1 1 38 38 ASN N N 38 117.661 117.661 117.601 0.060 25296 460 1 8 . 1 1 39 39 GLU N N 39 120.404 120.404 119.461 0.943 25296 461 1 8 . 1 1 40 40 LEU N N 40 120.350 120.350 120.669 -0.319 25296 462 1 8 . 1 1 41 41 ALA N N 41 118.587 118.587 121.262 -2.675 25296 463 1 8 . 1 1 42 42 VAL N N 42 118.763 118.763 114.587 4.176 25296 464 1 8 . 1 1 43 43 PHE N N 43 123.354 123.354 122.991 0.363 25296 465 1 8 . 1 1 44 44 TYR N N 44 118.850 118.850 118.532 0.318 25296 466 1 8 . 1 1 45 45 SER N N 45 114.529 114.529 115.118 -0.589 25296 467 1 8 . 1 1 46 46 ALA N N 46 125.846 125.846 124.527 1.319 25296 468 1 8 . 1 1 47 47 ALA N N 47 123.097 123.097 121.285 1.812 25296 469 1 8 . 1 1 48 48 ASP N N 48 119.891 119.891 119.051 0.840 25296 470 1 8 . 1 1 49 49 HIS N N 49 119.869 119.869 120.374 -0.505 25296 471 1 8 . 1 1 50 50 ARG N N 50 118.614 118.614 119.776 -1.162 25296 472 1 8 . 1 1 51 51 LEU N N 51 121.642 121.642 120.018 1.624 25296 473 1 8 . 1 1 52 52 ALA N N 52 124.864 124.864 122.342 2.522 25296 474 1 8 . 1 1 53 53 GLU N N 53 117.347 117.347 117.968 -0.621 25296 475 1 8 . 1 1 54 54 LEU N N 54 118.288 118.288 120.675 -2.387 25296 476 1 8 . 1 1 55 55 THR N N 55 116.900 116.900 114.411 2.489 25296 477 1 8 . 1 1 56 56 MET N N 56 116.084 116.084 117.547 -1.463 25296 478 1 8 . 1 1 57 57 ASN N N 57 118.384 118.384 118.059 0.325 25296 479 1 8 . 1 1 58 58 LYS N N 58 117.541 117.541 119.358 -1.817 25296 480 1 8 . 1 1 59 59 LEU N N 59 117.548 117.548 125.685 -8.137 25296 481 1 8 . 1 1 60 60 TYR N N 60 120.559 120.559 124.663 -4.104 25296 482 1 8 . 1 1 62 62 LYS N N 62 118.741 118.741 118.974 -0.233 25296 483 1 8 . 1 1 63 63 ILE N N 63 127.142 127.142 120.758 6.384 25296 484 1 8 . 1 1 67 67 VAL N N 67 123.569 123.569 120.991 2.578 25296 485 1 8 . 1 1 68 68 TRP N N 68 118.947 118.947 120.569 -1.622 25296 486 1 8 . 1 1 69 69 LYS N N 69 117.130 117.130 120.001 -2.871 25296 487 1 8 . 1 1 70 70 PHE N N 70 118.929 118.929 115.441 3.488 25296 488 1 8 . 1 1 71 71 ILE N N 71 117.502 117.502 120.448 -2.946 25296 489 1 9 . 1 1 7 7 THR N N 7 112.417 112.417 115.702 -3.285 25296 490 1 9 . 1 1 8 8 LYS N N 8 121.105 121.105 121.002 0.103 25296 491 1 9 . 1 1 9 9 THR N N 9 113.324 113.324 112.595 0.729 25296 492 1 9 . 1 1 10 10 ASP N N 10 121.834 121.834 120.874 0.960 25296 493 1 9 . 1 1 11 11 TYR N N 11 116.789 116.789 117.940 -1.151 25296 494 1 9 . 1 1 12 12 LEU N N 12 121.549 121.549 123.151 -1.602 25296 495 1 9 . 1 1 13 13 MET N N 13 116.111 116.111 114.916 1.195 25296 496 1 9 . 1 1 14 14 ARG N N 14 117.417 117.417 118.405 -0.988 25296 497 1 9 . 1 1 15 15 LEU N N 15 119.519 119.519 119.725 -0.206 25296 498 1 9 . 1 1 16 16 ARG N N 16 121.725 121.725 118.721 3.004 25296 499 1 9 . 1 1 17 17 ARG N N 17 115.267 115.267 117.463 -2.196 25296 500 1 9 . 1 1 18 18 CYS N N 18 120.960 120.960 120.541 0.419 25296 501 1 9 . 1 1 20 20 THR N N 20 106.710 106.710 112.514 -5.804 25296 502 1 9 . 1 1 21 21 ILE N N 21 124.640 124.640 115.932 8.708 25296 503 1 9 . 1 1 22 22 ASP N N 22 118.648 118.648 121.206 -2.558 25296 504 1 9 . 1 1 23 23 THR N N 23 115.236 115.236 115.433 -0.197 25296 505 1 9 . 1 1 24 24 LEU N N 24 124.130 124.130 122.313 1.817 25296 506 1 9 . 1 1 25 25 GLU N N 25 117.370 117.370 119.314 -1.944 25296 507 1 9 . 1 1 26 26 ARG N N 26 119.314 119.314 119.376 -0.062 25296 508 1 9 . 1 1 27 27 VAL N N 27 122.593 122.593 121.043 1.550 25296 509 1 9 . 1 1 28 28 ILE N N 28 123.569 123.569 116.623 6.946 25296 510 1 9 . 1 1 29 29 GLU N N 29 118.032 118.032 120.938 -2.906 25296 511 1 9 . 1 1 30 30 LYS N N 30 116.536 116.536 117.961 -1.425 25296 512 1 9 . 1 1 31 31 ASN N N 31 117.098 117.098 118.037 -0.939 25296 513 1 9 . 1 1 32 32 LYS N N 32 119.676 119.676 118.617 1.059 25296 514 1 9 . 1 1 33 33 TYR N N 33 114.106 114.106 115.471 -1.365 25296 515 1 9 . 1 1 34 34 GLU N N 34 117.370 117.370 118.556 -1.186 25296 516 1 9 . 1 1 35 35 LEU N N 35 118.834 118.834 119.997 -1.163 25296 517 1 9 . 1 1 36 36 SER N N 36 116.159 116.159 114.993 1.166 25296 518 1 9 . 1 1 37 37 ASP N N 37 120.825 120.825 118.352 2.473 25296 519 1 9 . 1 1 37 37 ASP H H 37 8.838 8.838 8.304 0.534 25296 520 1 9 . 1 1 38 38 ASN N N 38 117.661 117.661 116.147 1.514 25296 521 1 9 . 1 1 39 39 GLU N N 39 120.404 120.404 119.086 1.318 25296 522 1 9 . 1 1 40 40 LEU N N 40 120.350 120.350 120.564 -0.214 25296 523 1 9 . 1 1 41 41 ALA N N 41 118.587 118.587 121.644 -3.057 25296 524 1 9 . 1 1 42 42 VAL N N 42 118.763 118.763 114.523 4.240 25296 525 1 9 . 1 1 43 43 PHE N N 43 123.354 123.354 122.654 0.700 25296 526 1 9 . 1 1 44 44 TYR N N 44 118.850 118.850 119.129 -0.279 25296 527 1 9 . 1 1 45 45 SER N N 45 114.529 114.529 114.812 -0.283 25296 528 1 9 . 1 1 46 46 ALA N N 46 125.846 125.846 124.890 0.956 25296 529 1 9 . 1 1 47 47 ALA N N 47 123.097 123.097 120.950 2.147 25296 530 1 9 . 1 1 48 48 ASP N N 48 119.891 119.891 118.906 0.985 25296 531 1 9 . 1 1 49 49 HIS N N 49 119.869 119.869 119.636 0.233 25296 532 1 9 . 1 1 50 50 ARG N N 50 118.614 118.614 119.717 -1.103 25296 533 1 9 . 1 1 51 51 LEU N N 51 121.642 121.642 120.478 1.164 25296 534 1 9 . 1 1 52 52 ALA N N 52 124.864 124.864 121.626 3.238 25296 535 1 9 . 1 1 53 53 GLU N N 53 117.347 117.347 117.931 -0.584 25296 536 1 9 . 1 1 54 54 LEU N N 54 118.288 118.288 121.718 -3.430 25296 537 1 9 . 1 1 55 55 THR N N 55 116.900 116.900 115.211 1.689 25296 538 1 9 . 1 1 56 56 MET N N 56 116.084 116.084 117.939 -1.855 25296 539 1 9 . 1 1 57 57 ASN N N 57 118.384 118.384 117.062 1.322 25296 540 1 9 . 1 1 58 58 LYS N N 58 117.541 117.541 118.246 -0.705 25296 541 1 9 . 1 1 59 59 LEU N N 59 117.548 117.548 125.867 -8.319 25296 542 1 9 . 1 1 60 60 TYR N N 60 120.559 120.559 124.876 -4.317 25296 543 1 9 . 1 1 62 62 LYS N N 62 118.741 118.741 119.012 -0.271 25296 544 1 9 . 1 1 63 63 ILE N N 63 127.142 127.142 122.413 4.729 25296 545 1 9 . 1 1 67 67 VAL N N 67 123.569 123.569 120.454 3.115 25296 546 1 9 . 1 1 68 68 TRP N N 68 118.947 118.947 121.433 -2.486 25296 547 1 9 . 1 1 69 69 LYS N N 69 117.130 117.130 119.531 -2.401 25296 548 1 9 . 1 1 70 70 PHE N N 70 118.929 118.929 115.491 3.438 25296 549 1 9 . 1 1 71 71 ILE N N 71 117.502 117.502 120.102 -2.600 25296 550 1 10 . 1 1 7 7 THR N N 7 112.417 112.417 114.422 -2.005 25296 551 1 10 . 1 1 8 8 LYS N N 8 121.105 121.105 123.256 -2.151 25296 552 1 10 . 1 1 9 9 THR N N 9 113.324 113.324 111.425 1.899 25296 553 1 10 . 1 1 10 10 ASP N N 10 121.834 121.834 123.154 -1.320 25296 554 1 10 . 1 1 11 11 TYR N N 11 116.789 116.789 118.313 -1.524 25296 555 1 10 . 1 1 12 12 LEU N N 12 121.549 121.549 121.943 -0.394 25296 556 1 10 . 1 1 13 13 MET N N 13 116.111 116.111 115.991 0.120 25296 557 1 10 . 1 1 14 14 ARG N N 14 117.417 117.417 119.213 -1.796 25296 558 1 10 . 1 1 15 15 LEU N N 15 119.519 119.519 119.791 -0.272 25296 559 1 10 . 1 1 16 16 ARG N N 16 121.725 121.725 117.717 4.008 25296 560 1 10 . 1 1 17 17 ARG N N 17 115.267 115.267 117.139 -1.872 25296 561 1 10 . 1 1 18 18 CYS N N 18 120.960 120.960 120.576 0.384 25296 562 1 10 . 1 1 20 20 THR N N 20 106.710 106.710 112.781 -6.071 25296 563 1 10 . 1 1 21 21 ILE N N 21 124.640 124.640 115.934 8.706 25296 564 1 10 . 1 1 22 22 ASP N N 22 118.648 118.648 120.990 -2.342 25296 565 1 10 . 1 1 23 23 THR N N 23 115.236 115.236 115.829 -0.593 25296 566 1 10 . 1 1 24 24 LEU N N 24 124.130 124.130 123.227 0.903 25296 567 1 10 . 1 1 25 25 GLU N N 25 117.370 117.370 116.921 0.449 25296 568 1 10 . 1 1 26 26 ARG N N 26 119.314 119.314 119.746 -0.432 25296 569 1 10 . 1 1 27 27 VAL N N 27 122.593 122.593 120.841 1.752 25296 570 1 10 . 1 1 28 28 ILE N N 28 123.569 123.569 117.076 6.493 25296 571 1 10 . 1 1 29 29 GLU N N 29 118.032 118.032 120.485 -2.453 25296 572 1 10 . 1 1 30 30 LYS N N 30 116.536 116.536 118.127 -1.591 25296 573 1 10 . 1 1 31 31 ASN N N 31 117.098 117.098 118.039 -0.941 25296 574 1 10 . 1 1 32 32 LYS N N 32 119.676 119.676 120.600 -0.924 25296 575 1 10 . 1 1 33 33 TYR N N 33 114.106 114.106 116.340 -2.234 25296 576 1 10 . 1 1 34 34 GLU N N 34 117.370 117.370 118.057 -0.687 25296 577 1 10 . 1 1 35 35 LEU N N 35 118.834 118.834 120.181 -1.347 25296 578 1 10 . 1 1 36 36 SER N N 36 116.159 116.159 115.144 1.015 25296 579 1 10 . 1 1 37 37 ASP N N 37 120.825 120.825 117.805 3.020 25296 580 1 10 . 1 1 37 37 ASP H H 37 8.838 8.838 8.370 0.468 25296 581 1 10 . 1 1 38 38 ASN N N 38 117.661 117.661 118.577 -0.916 25296 582 1 10 . 1 1 39 39 GLU N N 39 120.404 120.404 119.048 1.356 25296 583 1 10 . 1 1 40 40 LEU N N 40 120.350 120.350 120.070 0.280 25296 584 1 10 . 1 1 41 41 ALA N N 41 118.587 118.587 121.481 -2.894 25296 585 1 10 . 1 1 42 42 VAL N N 42 118.763 118.763 114.188 4.575 25296 586 1 10 . 1 1 43 43 PHE N N 43 123.354 123.354 122.781 0.573 25296 587 1 10 . 1 1 44 44 TYR N N 44 118.850 118.850 118.435 0.415 25296 588 1 10 . 1 1 45 45 SER N N 45 114.529 114.529 114.558 -0.029 25296 589 1 10 . 1 1 46 46 ALA N N 46 125.846 125.846 125.057 0.789 25296 590 1 10 . 1 1 47 47 ALA N N 47 123.097 123.097 120.783 2.314 25296 591 1 10 . 1 1 48 48 ASP N N 48 119.891 119.891 118.978 0.913 25296 592 1 10 . 1 1 49 49 HIS N N 49 119.869 119.869 119.303 0.566 25296 593 1 10 . 1 1 50 50 ARG N N 50 118.614 118.614 119.779 -1.165 25296 594 1 10 . 1 1 51 51 LEU N N 51 121.642 121.642 120.586 1.056 25296 595 1 10 . 1 1 52 52 ALA N N 52 124.864 124.864 121.701 3.163 25296 596 1 10 . 1 1 53 53 GLU N N 53 117.347 117.347 117.992 -0.645 25296 597 1 10 . 1 1 54 54 LEU N N 54 118.288 118.288 121.861 -3.573 25296 598 1 10 . 1 1 55 55 THR N N 55 116.900 116.900 116.314 0.586 25296 599 1 10 . 1 1 56 56 MET N N 56 116.084 116.084 117.067 -0.983 25296 600 1 10 . 1 1 57 57 ASN N N 57 118.384 118.384 117.066 1.318 25296 601 1 10 . 1 1 58 58 LYS N N 58 117.541 117.541 119.330 -1.789 25296 602 1 10 . 1 1 59 59 LEU N N 59 117.548 117.548 125.645 -8.097 25296 603 1 10 . 1 1 60 60 TYR N N 60 120.559 120.559 123.381 -2.822 25296 604 1 10 . 1 1 62 62 LYS N N 62 118.741 118.741 119.652 -0.911 25296 605 1 10 . 1 1 63 63 ILE N N 63 127.142 127.142 122.962 4.180 25296 606 1 10 . 1 1 67 67 VAL N N 67 123.569 123.569 119.813 3.756 25296 607 1 10 . 1 1 68 68 TRP N N 68 118.947 118.947 120.644 -1.697 25296 608 1 10 . 1 1 69 69 LYS N N 69 117.130 117.130 121.102 -3.972 25296 609 1 10 . 1 1 70 70 PHE N N 70 118.929 118.929 114.463 4.466 25296 610 1 10 . 1 1 71 71 ILE N N 71 117.502 117.502 119.950 -2.448 25296 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 60 2.656 -0.018 2.678 25296 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25296 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25296 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25296 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25296 6 1 1 "Average Difference" HN 1 0.547 -0.547 0.000 25296 7 1 2 "Average Difference" N 60 2.828 0.148 2.848 25296 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25296 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25296 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25296 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25296 12 1 2 "Average Difference" HN 1 0.373 -0.373 0.000 25296 13 1 3 "Average Difference" N 60 2.692 0.078 2.714 25296 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25296 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25296 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25296 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25296 18 1 3 "Average Difference" HN 1 0.243 -0.243 0.000 25296 19 1 4 "Average Difference" N 60 2.721 0.033 2.744 25296 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25296 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25296 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25296 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25296 24 1 4 "Average Difference" HN 1 0.482 -0.482 0.000 25296 25 1 5 "Average Difference" N 60 2.722 -0.213 2.736 25296 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25296 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25296 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25296 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25296 30 1 5 "Average Difference" HN 1 0.510 -0.510 0.000 25296 31 1 6 "Average Difference" N 60 2.776 0.084 2.798 25296 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25296 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25296 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25296 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25296 36 1 6 "Average Difference" HN 1 0.147 -0.147 0.000 25296 37 1 7 "Average Difference" N 60 2.842 -0.028 2.866 25296 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25296 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25296 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25296 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25296 42 1 7 "Average Difference" HN 1 0.255 -0.255 0.000 25296 43 1 8 "Average Difference" N 60 2.794 -0.064 2.817 25296 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25296 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25296 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25296 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25296 48 1 8 "Average Difference" HN 1 0.679 -0.679 0.000 25296 49 1 9 "Average Difference" N 60 2.750 -0.001 2.773 25296 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25296 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25296 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25296 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25296 54 1 9 "Average Difference" HN 1 0.534 -0.534 0.000 25296 55 1 10 "Average Difference" N 60 2.752 0.064 2.774 25296 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25296 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25296 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25296 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25296 60 1 10 "Average Difference" HN 1 0.468 -0.468 0.000 25296 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 25296 _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 7 7 THR N N 7 112.417 112.417 115.342 -2.925 25296 2 1 . 1 1 8 8 LYS N N 8 121.105 121.105 122.888 -1.783 25296 3 1 . 1 1 9 9 THR N N 9 113.324 113.324 112.392 0.932 25296 4 1 . 1 1 10 10 ASP N N 10 121.834 121.834 122.638 -0.804 25296 5 1 . 1 1 11 11 TYR N N 11 116.789 116.789 118.776 -1.987 25296 6 1 . 1 1 12 12 LEU N N 12 121.549 121.549 121.960 -0.411 25296 7 1 . 1 1 13 13 MET N N 13 116.111 116.111 115.902 0.209 25296 8 1 . 1 1 14 14 ARG N N 14 117.417 117.417 119.536 -2.119 25296 9 1 . 1 1 15 15 LEU N N 15 119.519 119.519 118.258 1.261 25296 10 1 . 1 1 16 16 ARG N N 16 121.725 121.725 118.322 3.403 25296 11 1 . 1 1 17 17 ARG N N 17 115.267 115.267 116.963 -1.696 25296 12 1 . 1 1 18 18 CYS N N 18 120.960 120.960 120.404 0.556 25296 13 1 . 1 1 20 20 THR N N 20 106.710 106.710 112.127 -5.417 25296 14 1 . 1 1 21 21 ILE N N 21 124.640 124.640 115.690 8.950 25296 15 1 . 1 1 22 22 ASP N N 22 118.648 118.648 120.808 -2.160 25296 16 1 . 1 1 23 23 THR N N 23 115.236 115.236 115.439 -0.203 25296 17 1 . 1 1 24 24 LEU N N 24 124.130 124.130 123.001 1.129 25296 18 1 . 1 1 25 25 GLU N N 25 117.370 117.370 118.526 -1.155 25296 19 1 . 1 1 26 26 ARG N N 26 119.314 119.314 118.784 0.530 25296 20 1 . 1 1 27 27 VAL N N 27 122.593 122.593 121.292 1.301 25296 21 1 . 1 1 28 28 ILE N N 28 123.569 123.569 116.223 7.346 25296 22 1 . 1 1 29 29 GLU N N 29 118.032 118.032 120.788 -2.756 25296 23 1 . 1 1 30 30 LYS N N 30 116.536 116.536 118.235 -1.699 25296 24 1 . 1 1 31 31 ASN N N 31 117.098 117.098 117.912 -0.814 25296 25 1 . 1 1 32 32 LYS N N 32 119.676 119.676 119.381 0.295 25296 26 1 . 1 1 33 33 TYR N N 33 114.106 114.106 114.802 -0.696 25296 27 1 . 1 1 34 34 GLU N N 34 117.370 117.370 118.372 -1.002 25296 28 1 . 1 1 35 35 LEU N N 35 118.834 118.834 120.129 -1.294 25296 29 1 . 1 1 36 36 SER N N 36 116.159 116.159 115.302 0.857 25296 30 1 . 1 1 37 37 ASP N N 37 120.825 120.825 118.409 2.416 25296 31 1 . 1 1 37 37 ASP H H 37 8.838 8.838 8.414 0.424 25296 32 1 . 1 1 38 38 ASN N N 38 117.661 117.661 117.103 0.558 25296 33 1 . 1 1 39 39 GLU N N 39 120.404 120.404 118.662 1.742 25296 34 1 . 1 1 40 40 LEU N N 40 120.350 120.350 120.993 -0.643 25296 35 1 . 1 1 41 41 ALA N N 41 118.587 118.587 121.194 -2.607 25296 36 1 . 1 1 42 42 VAL N N 42 118.763 118.763 114.786 3.977 25296 37 1 . 1 1 43 43 PHE N N 43 123.354 123.354 122.831 0.523 25296 38 1 . 1 1 44 44 TYR N N 44 118.850 118.850 118.648 0.202 25296 39 1 . 1 1 45 45 SER N N 45 114.529 114.529 114.609 -0.080 25296 40 1 . 1 1 46 46 ALA N N 46 125.846 125.846 124.107 1.740 25296 41 1 . 1 1 47 47 ALA N N 47 123.097 123.097 121.403 1.694 25296 42 1 . 1 1 48 48 ASP N N 48 119.891 119.891 118.948 0.943 25296 43 1 . 1 1 49 49 HIS N N 49 119.869 119.869 119.851 0.018 25296 44 1 . 1 1 50 50 ARG N N 50 118.614 118.614 119.831 -1.217 25296 45 1 . 1 1 51 51 LEU N N 51 121.642 121.642 120.169 1.473 25296 46 1 . 1 1 52 52 ALA N N 52 124.864 124.864 122.042 2.822 25296 47 1 . 1 1 53 53 GLU N N 53 117.347 117.347 118.079 -0.732 25296 48 1 . 1 1 54 54 LEU N N 54 118.288 118.288 121.136 -2.848 25296 49 1 . 1 1 55 55 THR N N 55 116.900 116.900 114.968 1.932 25296 50 1 . 1 1 56 56 MET N N 56 116.084 116.084 117.742 -1.658 25296 51 1 . 1 1 57 57 ASN N N 57 118.384 118.384 116.782 1.602 25296 52 1 . 1 1 58 58 LYS N N 58 117.541 117.541 118.604 -1.063 25296 53 1 . 1 1 59 59 LEU N N 59 117.548 117.548 125.663 -8.115 25296 54 1 . 1 1 60 60 TYR N N 60 120.559 120.559 124.268 -3.709 25296 55 1 . 1 1 62 62 LYS N N 62 118.741 118.741 119.301 -0.560 25296 56 1 . 1 1 63 63 ILE N N 63 127.142 127.142 123.032 4.110 25296 57 1 . 1 1 67 67 VAL N N 67 123.569 123.569 121.074 2.495 25296 58 1 . 1 1 68 68 TRP N N 68 118.947 118.947 120.273 -1.327 25296 59 1 . 1 1 69 69 LYS N N 69 117.130 117.130 119.733 -2.603 25296 60 1 . 1 1 70 70 PHE N N 70 118.929 118.929 115.657 3.272 25296 61 1 . 1 1 71 71 ILE N N 71 117.502 117.502 120.208 -2.706 25296 stop_ save_