data_25300 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25300 _Entry.PDB_ID 2MW6 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 25300 _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 ILE HA H 2 4.042 4.042 3.856 0.186 25300 2 1 1 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.289 -2.860 25300 3 1 1 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.274 -2.134 25300 4 1 1 . 1 1 2 2 ILE H H 2 9.067 9.067 8.237 0.830 25300 5 1 1 . 1 1 3 3 GLY H H 3 8.961 8.961 8.352 0.609 25300 6 1 1 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.290 -0.210 25300 7 1 1 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.514 -1.864 25300 8 1 1 . 1 1 4 4 ALA H H 4 7.928 7.928 7.965 -0.037 25300 9 1 1 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.781 -0.202 25300 10 1 1 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.302 -1.392 25300 11 1 1 . 1 1 5 5 VAL H H 5 7.493 7.493 7.874 -0.381 25300 12 1 1 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.371 -0.281 25300 13 1 1 . 1 1 6 6 LEU H H 6 8.260 8.260 7.768 0.492 25300 14 1 1 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.188 -0.098 25300 15 1 1 . 1 1 7 7 LYS H H 7 8.260 8.260 7.879 0.381 25300 16 1 1 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.033 -0.334 25300 17 1 1 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.395 1.005 25300 18 1 1 . 1 1 8 8 VAL H H 8 8.153 8.153 7.588 0.565 25300 19 1 1 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.519 -0.362 25300 20 1 1 . 1 1 9 9 LEU H H 9 8.324 8.324 7.405 0.919 25300 21 1 1 . 1 1 10 10 THR HA H 10 4.150 4.150 4.468 -0.318 25300 22 1 1 . 1 1 10 10 THR CA C 10 62.650 62.650 62.951 -0.301 25300 23 1 1 . 1 1 10 10 THR CB C 10 66.900 66.900 68.969 -2.069 25300 24 1 1 . 1 1 10 10 THR H H 10 8.132 8.132 7.454 0.678 25300 25 1 1 . 1 1 11 11 THR HA H 11 4.313 4.313 4.466 -0.153 25300 26 1 1 . 1 1 11 11 THR CA C 11 61.730 61.730 62.144 -0.414 25300 27 1 1 . 1 1 11 11 THR CB C 11 67.410 67.410 70.480 -3.070 25300 28 1 1 . 1 1 11 11 THR H H 11 7.869 7.869 7.588 0.281 25300 29 1 1 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.736 -1.496 25300 30 1 1 . 1 1 12 12 GLY H H 12 8.188 8.188 8.174 0.014 25300 31 1 1 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.804 -0.416 25300 32 1 1 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.660 0.100 25300 33 1 1 . 1 1 13 13 LEU H H 13 8.321 8.321 8.192 0.129 25300 34 1 1 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.426 -0.186 25300 35 1 1 . 1 1 14 14 PRO CA C 14 64.110 64.110 65.017 -0.907 25300 36 1 1 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.385 -0.196 25300 37 1 1 . 1 1 15 15 ALA H H 15 7.554 7.554 8.498 -0.944 25300 38 1 1 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.155 0.080 25300 39 1 1 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.551 -1.601 25300 40 1 1 . 1 1 16 16 LEU H H 16 8.166 8.166 7.549 0.617 25300 41 1 1 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.816 -0.088 25300 42 1 1 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.194 -0.734 25300 43 1 1 . 1 1 17 17 ILE H H 17 8.611 8.611 7.562 1.049 25300 44 1 1 . 1 1 18 18 SER HA H 18 4.123 4.123 4.288 -0.165 25300 45 1 1 . 1 1 18 18 SER CA C 18 54.950 54.950 62.137 -7.187 25300 46 1 1 . 1 1 18 18 SER CB C 18 55.830 55.830 62.773 -6.943 25300 47 1 1 . 1 1 18 18 SER H H 18 8.395 8.395 8.073 0.322 25300 48 1 1 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.437 -0.289 25300 49 1 1 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.240 -2.421 25300 50 1 1 . 1 1 19 19 TRP H H 19 8.436 8.436 7.814 0.622 25300 51 1 1 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.891 -0.351 25300 52 1 1 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.512 -1.212 25300 53 1 1 . 1 1 20 20 ILE H H 20 8.564 8.564 8.104 0.460 25300 54 1 1 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.102 -0.212 25300 55 1 1 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.493 -1.593 25300 56 1 1 . 1 1 21 21 LYS H H 21 8.594 8.594 7.918 0.676 25300 57 1 1 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.150 -0.059 25300 58 1 1 . 1 1 22 22 ARG H H 22 8.260 8.260 7.878 0.382 25300 59 1 1 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.211 -0.061 25300 60 1 1 . 1 1 23 23 LYS H H 23 8.325 8.325 7.735 0.590 25300 61 1 1 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.288 -0.194 25300 62 1 1 . 1 1 24 24 ARG H H 24 8.222 8.222 7.846 0.376 25300 63 1 1 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.259 -0.139 25300 64 1 1 . 1 1 25 25 GLN H H 25 7.986 7.986 7.886 0.100 25300 65 1 2 . 1 1 2 2 ILE HA H 2 4.042 4.042 3.922 0.120 25300 66 1 2 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.499 -3.070 25300 67 1 2 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.998 -1.857 25300 68 1 2 . 1 1 2 2 ILE H H 2 9.067 9.067 8.306 0.761 25300 69 1 2 . 1 1 3 3 GLY H H 3 8.961 8.961 8.353 0.608 25300 70 1 2 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.272 -0.192 25300 71 1 2 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.470 -1.820 25300 72 1 2 . 1 1 4 4 ALA H H 4 7.928 7.928 8.021 -0.093 25300 73 1 2 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.638 -0.059 25300 74 1 2 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.823 -1.913 25300 75 1 2 . 1 1 5 5 VAL H H 5 7.493 7.493 7.921 -0.428 25300 76 1 2 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.091 -0.001 25300 77 1 2 . 1 1 6 6 LEU H H 6 8.260 8.260 7.770 0.490 25300 78 1 2 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.138 -0.048 25300 79 1 2 . 1 1 7 7 LYS H H 7 8.260 8.260 7.757 0.503 25300 80 1 2 . 1 1 8 8 VAL HA H 8 3.699 3.699 3.962 -0.263 25300 81 1 2 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.700 -0.300 25300 82 1 2 . 1 1 8 8 VAL H H 8 8.153 8.153 7.745 0.408 25300 83 1 2 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.426 -0.269 25300 84 1 2 . 1 1 9 9 LEU H H 9 8.324 8.324 7.517 0.807 25300 85 1 2 . 1 1 10 10 THR HA H 10 4.150 4.150 4.319 -0.169 25300 86 1 2 . 1 1 10 10 THR CA C 10 62.650 62.650 63.792 -1.142 25300 87 1 2 . 1 1 10 10 THR CB C 10 66.900 66.900 69.505 -2.605 25300 88 1 2 . 1 1 10 10 THR H H 10 8.132 8.132 7.620 0.512 25300 89 1 2 . 1 1 11 11 THR HA H 11 4.313 4.313 4.410 -0.097 25300 90 1 2 . 1 1 11 11 THR CA C 11 61.730 61.730 62.789 -1.059 25300 91 1 2 . 1 1 11 11 THR CB C 11 67.410 67.410 69.955 -2.545 25300 92 1 2 . 1 1 11 11 THR H H 11 7.869 7.869 7.596 0.273 25300 93 1 2 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.703 -1.463 25300 94 1 2 . 1 1 12 12 GLY H H 12 8.188 8.188 7.723 0.465 25300 95 1 2 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.846 -0.458 25300 96 1 2 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.487 0.273 25300 97 1 2 . 1 1 13 13 LEU H H 13 8.321 8.321 7.908 0.413 25300 98 1 2 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.562 -0.322 25300 99 1 2 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.401 -0.291 25300 100 1 2 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.370 -0.181 25300 101 1 2 . 1 1 15 15 ALA H H 15 7.554 7.554 8.416 -0.862 25300 102 1 2 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.215 0.020 25300 103 1 2 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.736 -1.786 25300 104 1 2 . 1 1 16 16 LEU H H 16 8.166 8.166 7.688 0.478 25300 105 1 2 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.809 -0.081 25300 106 1 2 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.334 -0.874 25300 107 1 2 . 1 1 17 17 ILE H H 17 8.611 8.611 7.700 0.911 25300 108 1 2 . 1 1 18 18 SER HA H 18 4.123 4.123 4.288 -0.165 25300 109 1 2 . 1 1 18 18 SER CA C 18 54.950 54.950 62.180 -7.230 25300 110 1 2 . 1 1 18 18 SER CB C 18 55.830 55.830 62.804 -6.974 25300 111 1 2 . 1 1 18 18 SER H H 18 8.395 8.395 8.106 0.289 25300 112 1 2 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.447 -0.299 25300 113 1 2 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.253 -2.433 25300 114 1 2 . 1 1 19 19 TRP H H 19 8.436 8.436 7.826 0.610 25300 115 1 2 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.896 -0.356 25300 116 1 2 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.516 -1.216 25300 117 1 2 . 1 1 20 20 ILE H H 20 8.564 8.564 8.077 0.487 25300 118 1 2 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.098 -0.208 25300 119 1 2 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.541 -1.641 25300 120 1 2 . 1 1 21 21 LYS H H 21 8.594 8.594 7.923 0.671 25300 121 1 2 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.147 -0.056 25300 122 1 2 . 1 1 22 22 ARG H H 22 8.260 8.260 7.874 0.386 25300 123 1 2 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.208 -0.058 25300 124 1 2 . 1 1 23 23 LYS H H 23 8.325 8.325 7.728 0.597 25300 125 1 2 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.287 -0.193 25300 126 1 2 . 1 1 24 24 ARG H H 24 8.222 8.222 7.860 0.362 25300 127 1 2 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.272 -0.152 25300 128 1 2 . 1 1 25 25 GLN H H 25 7.986 7.986 7.894 0.092 25300 129 1 3 . 1 1 2 2 ILE HA H 2 4.042 4.042 3.932 0.110 25300 130 1 3 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.904 -3.474 25300 131 1 3 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.181 -2.041 25300 132 1 3 . 1 1 2 2 ILE H H 2 9.067 9.067 8.488 0.579 25300 133 1 3 . 1 1 3 3 GLY H H 3 8.961 8.961 8.336 0.625 25300 134 1 3 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.286 -0.206 25300 135 1 3 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.440 -1.790 25300 136 1 3 . 1 1 4 4 ALA H H 4 7.928 7.928 7.920 0.008 25300 137 1 3 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.768 -0.189 25300 138 1 3 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.372 -1.462 25300 139 1 3 . 1 1 5 5 VAL H H 5 7.493 7.493 7.860 -0.367 25300 140 1 3 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.325 -0.235 25300 141 1 3 . 1 1 6 6 LEU H H 6 8.260 8.260 7.764 0.496 25300 142 1 3 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.212 -0.122 25300 143 1 3 . 1 1 7 7 LYS H H 7 8.260 8.260 7.845 0.415 25300 144 1 3 . 1 1 8 8 VAL HA H 8 3.699 3.699 3.958 -0.259 25300 145 1 3 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.159 0.241 25300 146 1 3 . 1 1 8 8 VAL H H 8 8.153 8.153 7.564 0.589 25300 147 1 3 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.415 -0.258 25300 148 1 3 . 1 1 9 9 LEU H H 9 8.324 8.324 7.414 0.910 25300 149 1 3 . 1 1 10 10 THR HA H 10 4.150 4.150 4.500 -0.350 25300 150 1 3 . 1 1 10 10 THR CA C 10 62.650 62.650 63.184 -0.534 25300 151 1 3 . 1 1 10 10 THR CB C 10 66.900 66.900 67.223 -0.323 25300 152 1 3 . 1 1 10 10 THR H H 10 8.132 8.132 7.693 0.439 25300 153 1 3 . 1 1 11 11 THR HA H 11 4.313 4.313 4.486 -0.173 25300 154 1 3 . 1 1 11 11 THR CA C 11 61.730 61.730 62.203 -0.473 25300 155 1 3 . 1 1 11 11 THR CB C 11 67.410 67.410 70.599 -3.189 25300 156 1 3 . 1 1 11 11 THR H H 11 7.869 7.869 7.721 0.148 25300 157 1 3 . 1 1 12 12 GLY CA C 12 43.240 43.240 45.270 -2.030 25300 158 1 3 . 1 1 12 12 GLY H H 12 8.188 8.188 8.078 0.110 25300 159 1 3 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.751 -0.363 25300 160 1 3 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.445 0.315 25300 161 1 3 . 1 1 13 13 LEU H H 13 8.321 8.321 8.496 -0.175 25300 162 1 3 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.380 -0.140 25300 163 1 3 . 1 1 14 14 PRO CA C 14 64.110 64.110 65.115 -1.005 25300 164 1 3 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.394 -0.205 25300 165 1 3 . 1 1 15 15 ALA H H 15 7.554 7.554 8.429 -0.875 25300 166 1 3 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.115 0.120 25300 167 1 3 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.494 -1.544 25300 168 1 3 . 1 1 16 16 LEU H H 16 8.166 8.166 7.535 0.631 25300 169 1 3 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.818 -0.090 25300 170 1 3 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.540 -1.080 25300 171 1 3 . 1 1 17 17 ILE H H 17 8.611 8.611 7.609 1.002 25300 172 1 3 . 1 1 18 18 SER HA H 18 4.123 4.123 4.313 -0.190 25300 173 1 3 . 1 1 18 18 SER CA C 18 54.950 54.950 61.893 -6.943 25300 174 1 3 . 1 1 18 18 SER CB C 18 55.830 55.830 62.990 -7.160 25300 175 1 3 . 1 1 18 18 SER H H 18 8.395 8.395 8.073 0.322 25300 176 1 3 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.468 -0.320 25300 177 1 3 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.507 -2.687 25300 178 1 3 . 1 1 19 19 TRP H H 19 8.436 8.436 7.838 0.598 25300 179 1 3 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.889 -0.349 25300 180 1 3 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.531 -1.230 25300 181 1 3 . 1 1 20 20 ILE H H 20 8.564 8.564 8.086 0.478 25300 182 1 3 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.103 -0.213 25300 183 1 3 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.515 -1.615 25300 184 1 3 . 1 1 21 21 LYS H H 21 8.594 8.594 7.936 0.658 25300 185 1 3 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.151 -0.060 25300 186 1 3 . 1 1 22 22 ARG H H 22 8.260 8.260 7.864 0.396 25300 187 1 3 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.182 -0.032 25300 188 1 3 . 1 1 23 23 LYS H H 23 8.325 8.325 7.720 0.605 25300 189 1 3 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.278 -0.184 25300 190 1 3 . 1 1 24 24 ARG H H 24 8.222 8.222 7.867 0.355 25300 191 1 3 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.252 -0.132 25300 192 1 3 . 1 1 25 25 GLN H H 25 7.986 7.986 7.878 0.108 25300 193 1 4 . 1 1 2 2 ILE HA H 2 4.042 4.042 3.948 0.094 25300 194 1 4 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.088 -2.658 25300 195 1 4 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.270 -2.130 25300 196 1 4 . 1 1 2 2 ILE H H 2 9.067 9.067 8.632 0.435 25300 197 1 4 . 1 1 3 3 GLY H H 3 8.961 8.961 8.488 0.473 25300 198 1 4 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.244 -0.164 25300 199 1 4 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.425 -1.775 25300 200 1 4 . 1 1 4 4 ALA H H 4 7.928 7.928 7.330 0.598 25300 201 1 4 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.636 -0.057 25300 202 1 4 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.438 -1.528 25300 203 1 4 . 1 1 5 5 VAL H H 5 7.493 7.493 7.878 -0.385 25300 204 1 4 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.124 -0.034 25300 205 1 4 . 1 1 6 6 LEU H H 6 8.260 8.260 7.898 0.362 25300 206 1 4 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.154 -0.064 25300 207 1 4 . 1 1 7 7 LYS H H 7 8.260 8.260 7.828 0.432 25300 208 1 4 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.124 -0.425 25300 209 1 4 . 1 1 8 8 VAL CA C 8 64.400 64.400 62.357 2.043 25300 210 1 4 . 1 1 8 8 VAL H H 8 8.153 8.153 7.411 0.742 25300 211 1 4 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.403 -0.246 25300 212 1 4 . 1 1 9 9 LEU H H 9 8.324 8.324 7.155 1.169 25300 213 1 4 . 1 1 10 10 THR HA H 10 4.150 4.150 4.254 -0.104 25300 214 1 4 . 1 1 10 10 THR CA C 10 62.650 62.650 64.143 -1.493 25300 215 1 4 . 1 1 10 10 THR CB C 10 66.900 66.900 69.322 -2.422 25300 216 1 4 . 1 1 10 10 THR H H 10 8.132 8.132 7.947 0.185 25300 217 1 4 . 1 1 11 11 THR HA H 11 4.313 4.313 4.395 -0.082 25300 218 1 4 . 1 1 11 11 THR CA C 11 61.730 61.730 61.974 -0.244 25300 219 1 4 . 1 1 11 11 THR CB C 11 67.410 67.410 69.377 -1.967 25300 220 1 4 . 1 1 11 11 THR H H 11 7.869 7.869 7.867 0.002 25300 221 1 4 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.507 -1.267 25300 222 1 4 . 1 1 12 12 GLY H H 12 8.188 8.188 8.005 0.183 25300 223 1 4 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.828 -0.440 25300 224 1 4 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.538 0.222 25300 225 1 4 . 1 1 13 13 LEU H H 13 8.321 8.321 8.426 -0.105 25300 226 1 4 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.495 -0.255 25300 227 1 4 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.671 -0.561 25300 228 1 4 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.397 -0.208 25300 229 1 4 . 1 1 15 15 ALA H H 15 7.554 7.554 8.408 -0.854 25300 230 1 4 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.196 0.039 25300 231 1 4 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.918 -1.968 25300 232 1 4 . 1 1 16 16 LEU H H 16 8.166 8.166 7.576 0.590 25300 233 1 4 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.833 -0.105 25300 234 1 4 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.417 -0.957 25300 235 1 4 . 1 1 17 17 ILE H H 17 8.611 8.611 7.525 1.086 25300 236 1 4 . 1 1 18 18 SER HA H 18 4.123 4.123 4.276 -0.153 25300 237 1 4 . 1 1 18 18 SER CA C 18 54.950 54.950 62.078 -7.128 25300 238 1 4 . 1 1 18 18 SER CB C 18 55.830 55.830 63.027 -7.197 25300 239 1 4 . 1 1 18 18 SER H H 18 8.395 8.395 8.053 0.342 25300 240 1 4 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.451 -0.303 25300 241 1 4 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.264 -2.445 25300 242 1 4 . 1 1 19 19 TRP H H 19 8.436 8.436 7.741 0.695 25300 243 1 4 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.909 -0.369 25300 244 1 4 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.414 -1.114 25300 245 1 4 . 1 1 20 20 ILE H H 20 8.564 8.564 8.042 0.522 25300 246 1 4 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.100 -0.210 25300 247 1 4 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.571 -1.671 25300 248 1 4 . 1 1 21 21 LYS H H 21 8.594 8.594 7.950 0.644 25300 249 1 4 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.152 -0.061 25300 250 1 4 . 1 1 22 22 ARG H H 22 8.260 8.260 7.886 0.374 25300 251 1 4 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.215 -0.065 25300 252 1 4 . 1 1 23 23 LYS H H 23 8.325 8.325 7.739 0.586 25300 253 1 4 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.302 -0.208 25300 254 1 4 . 1 1 24 24 ARG H H 24 8.222 8.222 7.844 0.378 25300 255 1 4 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.259 -0.139 25300 256 1 4 . 1 1 25 25 GLN H H 25 7.986 7.986 7.889 0.097 25300 257 1 5 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.025 0.017 25300 258 1 5 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.623 -3.193 25300 259 1 5 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.817 -1.677 25300 260 1 5 . 1 1 2 2 ILE H H 2 9.067 9.067 8.551 0.516 25300 261 1 5 . 1 1 3 3 GLY H H 3 8.961 8.961 8.461 0.500 25300 262 1 5 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.262 -0.182 25300 263 1 5 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.548 -1.898 25300 264 1 5 . 1 1 4 4 ALA H H 4 7.928 7.928 7.971 -0.043 25300 265 1 5 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.612 -0.033 25300 266 1 5 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.944 -2.034 25300 267 1 5 . 1 1 5 5 VAL H H 5 7.493 7.493 7.898 -0.405 25300 268 1 5 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.054 0.036 25300 269 1 5 . 1 1 6 6 LEU H H 6 8.260 8.260 7.941 0.319 25300 270 1 5 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.087 0.003 25300 271 1 5 . 1 1 7 7 LYS H H 7 8.260 8.260 7.593 0.667 25300 272 1 5 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.124 -0.425 25300 273 1 5 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.567 -0.167 25300 274 1 5 . 1 1 8 8 VAL H H 8 8.153 8.153 7.785 0.368 25300 275 1 5 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.485 -0.328 25300 276 1 5 . 1 1 9 9 LEU H H 9 8.324 8.324 7.601 0.723 25300 277 1 5 . 1 1 10 10 THR HA H 10 4.150 4.150 4.233 -0.083 25300 278 1 5 . 1 1 10 10 THR CA C 10 62.650 62.650 64.091 -1.441 25300 279 1 5 . 1 1 10 10 THR CB C 10 66.900 66.900 68.959 -2.059 25300 280 1 5 . 1 1 10 10 THR H H 10 8.132 8.132 7.910 0.222 25300 281 1 5 . 1 1 11 11 THR HA H 11 4.313 4.313 4.489 -0.176 25300 282 1 5 . 1 1 11 11 THR CA C 11 61.730 61.730 62.215 -0.485 25300 283 1 5 . 1 1 11 11 THR CB C 11 67.410 67.410 69.799 -2.389 25300 284 1 5 . 1 1 11 11 THR H H 11 7.869 7.869 7.640 0.229 25300 285 1 5 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.850 -1.610 25300 286 1 5 . 1 1 12 12 GLY H H 12 8.188 8.188 7.704 0.484 25300 287 1 5 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.724 -0.336 25300 288 1 5 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.885 -0.124 25300 289 1 5 . 1 1 13 13 LEU H H 13 8.321 8.321 8.198 0.123 25300 290 1 5 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.582 -0.342 25300 291 1 5 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.468 -0.358 25300 292 1 5 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.337 -0.148 25300 293 1 5 . 1 1 15 15 ALA H H 15 7.554 7.554 8.308 -0.754 25300 294 1 5 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.117 0.118 25300 295 1 5 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.963 -2.013 25300 296 1 5 . 1 1 16 16 LEU H H 16 8.166 8.166 7.769 0.397 25300 297 1 5 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.820 -0.092 25300 298 1 5 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.396 -0.936 25300 299 1 5 . 1 1 17 17 ILE H H 17 8.611 8.611 7.511 1.100 25300 300 1 5 . 1 1 18 18 SER HA H 18 4.123 4.123 4.328 -0.205 25300 301 1 5 . 1 1 18 18 SER CA C 18 54.950 54.950 61.563 -6.613 25300 302 1 5 . 1 1 18 18 SER CB C 18 55.830 55.830 62.718 -6.888 25300 303 1 5 . 1 1 18 18 SER H H 18 8.395 8.395 8.133 0.262 25300 304 1 5 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.469 -0.321 25300 305 1 5 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.492 -2.672 25300 306 1 5 . 1 1 19 19 TRP H H 19 8.436 8.436 7.979 0.457 25300 307 1 5 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.871 -0.331 25300 308 1 5 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.610 -1.310 25300 309 1 5 . 1 1 20 20 ILE H H 20 8.564 8.564 8.094 0.470 25300 310 1 5 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.081 -0.191 25300 311 1 5 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.599 -1.699 25300 312 1 5 . 1 1 21 21 LYS H H 21 8.594 8.594 7.953 0.641 25300 313 1 5 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.131 -0.040 25300 314 1 5 . 1 1 22 22 ARG H H 22 8.260 8.260 7.897 0.363 25300 315 1 5 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.178 -0.028 25300 316 1 5 . 1 1 23 23 LYS H H 23 8.325 8.325 7.830 0.495 25300 317 1 5 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.290 -0.196 25300 318 1 5 . 1 1 24 24 ARG H H 24 8.222 8.222 7.742 0.480 25300 319 1 5 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.254 -0.134 25300 320 1 5 . 1 1 25 25 GLN H H 25 7.986 7.986 7.867 0.119 25300 321 1 6 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.078 -0.036 25300 322 1 6 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.755 -3.325 25300 323 1 6 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.691 -1.551 25300 324 1 6 . 1 1 2 2 ILE H H 2 9.067 9.067 8.465 0.602 25300 325 1 6 . 1 1 3 3 GLY H H 3 8.961 8.961 8.442 0.519 25300 326 1 6 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.241 -0.161 25300 327 1 6 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.565 -1.915 25300 328 1 6 . 1 1 4 4 ALA H H 4 7.928 7.928 7.919 0.009 25300 329 1 6 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.617 -0.038 25300 330 1 6 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.820 -1.910 25300 331 1 6 . 1 1 5 5 VAL H H 5 7.493 7.493 7.861 -0.368 25300 332 1 6 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.045 0.045 25300 333 1 6 . 1 1 6 6 LEU H H 6 8.260 8.260 7.883 0.377 25300 334 1 6 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.096 -0.006 25300 335 1 6 . 1 1 7 7 LYS H H 7 8.260 8.260 7.666 0.594 25300 336 1 6 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.171 -0.472 25300 337 1 6 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.195 0.204 25300 338 1 6 . 1 1 8 8 VAL H H 8 8.153 8.153 7.734 0.419 25300 339 1 6 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.496 -0.339 25300 340 1 6 . 1 1 9 9 LEU H H 9 8.324 8.324 7.383 0.941 25300 341 1 6 . 1 1 10 10 THR HA H 10 4.150 4.150 4.274 -0.124 25300 342 1 6 . 1 1 10 10 THR CA C 10 62.650 62.650 63.956 -1.306 25300 343 1 6 . 1 1 10 10 THR CB C 10 66.900 66.900 69.178 -2.278 25300 344 1 6 . 1 1 10 10 THR H H 10 8.132 8.132 7.772 0.360 25300 345 1 6 . 1 1 11 11 THR HA H 11 4.313 4.313 4.473 -0.160 25300 346 1 6 . 1 1 11 11 THR CA C 11 61.730 61.730 62.078 -0.348 25300 347 1 6 . 1 1 11 11 THR CB C 11 67.410 67.410 69.608 -2.197 25300 348 1 6 . 1 1 11 11 THR H H 11 7.869 7.869 7.746 0.123 25300 349 1 6 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.751 -1.511 25300 350 1 6 . 1 1 12 12 GLY H H 12 8.188 8.188 7.796 0.392 25300 351 1 6 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.833 -0.445 25300 352 1 6 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.854 -0.094 25300 353 1 6 . 1 1 13 13 LEU H H 13 8.321 8.321 8.106 0.215 25300 354 1 6 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.579 -0.339 25300 355 1 6 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.496 -0.386 25300 356 1 6 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.344 -0.155 25300 357 1 6 . 1 1 15 15 ALA H H 15 7.554 7.554 8.305 -0.751 25300 358 1 6 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.109 0.126 25300 359 1 6 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.959 -2.009 25300 360 1 6 . 1 1 16 16 LEU H H 16 8.166 8.166 7.757 0.409 25300 361 1 6 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.824 -0.096 25300 362 1 6 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.409 -0.949 25300 363 1 6 . 1 1 17 17 ILE H H 17 8.611 8.611 7.505 1.106 25300 364 1 6 . 1 1 18 18 SER HA H 18 4.123 4.123 4.330 -0.207 25300 365 1 6 . 1 1 18 18 SER CA C 18 54.950 54.950 61.538 -6.588 25300 366 1 6 . 1 1 18 18 SER CB C 18 55.830 55.830 62.736 -6.906 25300 367 1 6 . 1 1 18 18 SER H H 18 8.395 8.395 8.143 0.252 25300 368 1 6 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.477 -0.329 25300 369 1 6 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.483 -2.663 25300 370 1 6 . 1 1 19 19 TRP H H 19 8.436 8.436 7.970 0.466 25300 371 1 6 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.875 -0.335 25300 372 1 6 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.569 -1.268 25300 373 1 6 . 1 1 20 20 ILE H H 20 8.564 8.564 8.051 0.513 25300 374 1 6 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.084 -0.194 25300 375 1 6 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.571 -1.671 25300 376 1 6 . 1 1 21 21 LYS H H 21 8.594 8.594 7.954 0.640 25300 377 1 6 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.133 -0.043 25300 378 1 6 . 1 1 22 22 ARG H H 22 8.260 8.260 7.888 0.372 25300 379 1 6 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.180 -0.030 25300 380 1 6 . 1 1 23 23 LYS H H 23 8.325 8.325 7.836 0.489 25300 381 1 6 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.294 -0.200 25300 382 1 6 . 1 1 24 24 ARG H H 24 8.222 8.222 7.746 0.476 25300 383 1 6 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.255 -0.135 25300 384 1 6 . 1 1 25 25 GLN H H 25 7.986 7.986 7.873 0.113 25300 385 1 7 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.035 0.007 25300 386 1 7 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.691 -3.261 25300 387 1 7 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.673 -1.533 25300 388 1 7 . 1 1 2 2 ILE H H 2 9.067 9.067 8.499 0.568 25300 389 1 7 . 1 1 3 3 GLY H H 3 8.961 8.961 8.419 0.542 25300 390 1 7 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.236 -0.156 25300 391 1 7 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.581 -1.931 25300 392 1 7 . 1 1 4 4 ALA H H 4 7.928 7.928 8.008 -0.080 25300 393 1 7 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.612 -0.033 25300 394 1 7 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.844 -1.934 25300 395 1 7 . 1 1 5 5 VAL H H 5 7.493 7.493 7.893 -0.400 25300 396 1 7 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.042 0.048 25300 397 1 7 . 1 1 6 6 LEU H H 6 8.260 8.260 7.876 0.384 25300 398 1 7 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.100 -0.010 25300 399 1 7 . 1 1 7 7 LYS H H 7 8.260 8.260 7.674 0.586 25300 400 1 7 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.183 -0.484 25300 401 1 7 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.316 0.084 25300 402 1 7 . 1 1 8 8 VAL H H 8 8.153 8.153 7.765 0.388 25300 403 1 7 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.480 -0.323 25300 404 1 7 . 1 1 9 9 LEU H H 9 8.324 8.324 7.401 0.923 25300 405 1 7 . 1 1 10 10 THR HA H 10 4.150 4.150 4.263 -0.113 25300 406 1 7 . 1 1 10 10 THR CA C 10 62.650 62.650 64.022 -1.372 25300 407 1 7 . 1 1 10 10 THR CB C 10 66.900 66.900 69.187 -2.287 25300 408 1 7 . 1 1 10 10 THR H H 10 8.132 8.132 7.772 0.360 25300 409 1 7 . 1 1 11 11 THR HA H 11 4.313 4.313 4.460 -0.147 25300 410 1 7 . 1 1 11 11 THR CA C 11 61.730 61.730 62.261 -0.531 25300 411 1 7 . 1 1 11 11 THR CB C 11 67.410 67.410 69.554 -2.144 25300 412 1 7 . 1 1 11 11 THR H H 11 7.869 7.869 7.815 0.054 25300 413 1 7 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.719 -1.479 25300 414 1 7 . 1 1 12 12 GLY H H 12 8.188 8.188 7.762 0.426 25300 415 1 7 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.833 -0.445 25300 416 1 7 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.882 -0.122 25300 417 1 7 . 1 1 13 13 LEU H H 13 8.321 8.321 8.096 0.225 25300 418 1 7 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.578 -0.338 25300 419 1 7 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.509 -0.399 25300 420 1 7 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.342 -0.153 25300 421 1 7 . 1 1 15 15 ALA H H 15 7.554 7.554 8.321 -0.767 25300 422 1 7 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.114 0.121 25300 423 1 7 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.968 -2.018 25300 424 1 7 . 1 1 16 16 LEU H H 16 8.166 8.166 7.734 0.432 25300 425 1 7 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.819 -0.091 25300 426 1 7 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.398 -0.938 25300 427 1 7 . 1 1 17 17 ILE H H 17 8.611 8.611 7.505 1.106 25300 428 1 7 . 1 1 18 18 SER HA H 18 4.123 4.123 4.331 -0.208 25300 429 1 7 . 1 1 18 18 SER CA C 18 54.950 54.950 61.549 -6.599 25300 430 1 7 . 1 1 18 18 SER CB C 18 55.830 55.830 62.728 -6.898 25300 431 1 7 . 1 1 18 18 SER H H 18 8.395 8.395 8.156 0.239 25300 432 1 7 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.477 -0.329 25300 433 1 7 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.480 -2.660 25300 434 1 7 . 1 1 19 19 TRP H H 19 8.436 8.436 7.977 0.459 25300 435 1 7 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.876 -0.336 25300 436 1 7 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.569 -1.269 25300 437 1 7 . 1 1 20 20 ILE H H 20 8.564 8.564 8.072 0.492 25300 438 1 7 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.083 -0.193 25300 439 1 7 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.568 -1.668 25300 440 1 7 . 1 1 21 21 LYS H H 21 8.594 8.594 7.950 0.644 25300 441 1 7 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.133 -0.042 25300 442 1 7 . 1 1 22 22 ARG H H 22 8.260 8.260 7.896 0.364 25300 443 1 7 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.179 -0.029 25300 444 1 7 . 1 1 23 23 LYS H H 23 8.325 8.325 7.826 0.499 25300 445 1 7 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.296 -0.202 25300 446 1 7 . 1 1 24 24 ARG H H 24 8.222 8.222 7.749 0.473 25300 447 1 7 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.253 -0.133 25300 448 1 7 . 1 1 25 25 GLN H H 25 7.986 7.986 7.870 0.116 25300 449 1 8 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.067 -0.025 25300 450 1 8 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.713 -3.283 25300 451 1 8 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.698 -1.558 25300 452 1 8 . 1 1 2 2 ILE H H 2 9.067 9.067 8.475 0.592 25300 453 1 8 . 1 1 3 3 GLY H H 3 8.961 8.961 8.449 0.512 25300 454 1 8 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.248 -0.168 25300 455 1 8 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.452 -1.802 25300 456 1 8 . 1 1 4 4 ALA H H 4 7.928 7.928 7.364 0.564 25300 457 1 8 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.675 -0.096 25300 458 1 8 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.520 -1.610 25300 459 1 8 . 1 1 5 5 VAL H H 5 7.493 7.493 7.881 -0.388 25300 460 1 8 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.104 -0.014 25300 461 1 8 . 1 1 6 6 LEU H H 6 8.260 8.260 7.956 0.304 25300 462 1 8 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.134 -0.044 25300 463 1 8 . 1 1 7 7 LYS H H 7 8.260 8.260 7.817 0.443 25300 464 1 8 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.020 -0.321 25300 465 1 8 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.172 1.228 25300 466 1 8 . 1 1 8 8 VAL H H 8 8.153 8.153 7.468 0.685 25300 467 1 8 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.337 -0.180 25300 468 1 8 . 1 1 9 9 LEU H H 9 8.324 8.324 7.459 0.865 25300 469 1 8 . 1 1 10 10 THR HA H 10 4.150 4.150 4.377 -0.227 25300 470 1 8 . 1 1 10 10 THR CA C 10 62.650 62.650 62.820 -0.170 25300 471 1 8 . 1 1 10 10 THR CB C 10 66.900 66.900 67.633 -0.733 25300 472 1 8 . 1 1 10 10 THR H H 10 8.132 8.132 7.945 0.187 25300 473 1 8 . 1 1 11 11 THR HA H 11 4.313 4.313 4.532 -0.219 25300 474 1 8 . 1 1 11 11 THR CA C 11 61.730 61.730 62.121 -0.391 25300 475 1 8 . 1 1 11 11 THR CB C 11 67.410 67.410 70.662 -3.252 25300 476 1 8 . 1 1 11 11 THR H H 11 7.869 7.869 7.612 0.257 25300 477 1 8 . 1 1 12 12 GLY CA C 12 43.240 43.240 45.045 -1.805 25300 478 1 8 . 1 1 12 12 GLY H H 12 8.188 8.188 8.044 0.144 25300 479 1 8 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.763 -0.375 25300 480 1 8 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.618 0.142 25300 481 1 8 . 1 1 13 13 LEU H H 13 8.321 8.321 8.381 -0.060 25300 482 1 8 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.475 -0.235 25300 483 1 8 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.471 -0.361 25300 484 1 8 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.378 -0.189 25300 485 1 8 . 1 1 15 15 ALA H H 15 7.554 7.554 8.385 -0.831 25300 486 1 8 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.174 0.061 25300 487 1 8 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.966 -2.016 25300 488 1 8 . 1 1 16 16 LEU H H 16 8.166 8.166 7.504 0.662 25300 489 1 8 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.794 -0.066 25300 490 1 8 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.090 -0.631 25300 491 1 8 . 1 1 17 17 ILE H H 17 8.611 8.611 7.551 1.060 25300 492 1 8 . 1 1 18 18 SER HA H 18 4.123 4.123 4.262 -0.139 25300 493 1 8 . 1 1 18 18 SER CA C 18 54.950 54.950 61.322 -6.372 25300 494 1 8 . 1 1 18 18 SER CB C 18 55.830 55.830 62.873 -7.043 25300 495 1 8 . 1 1 18 18 SER H H 18 8.395 8.395 8.089 0.306 25300 496 1 8 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.420 -0.272 25300 497 1 8 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.317 -2.497 25300 498 1 8 . 1 1 19 19 TRP H H 19 8.436 8.436 7.695 0.741 25300 499 1 8 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.915 -0.375 25300 500 1 8 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.392 -1.092 25300 501 1 8 . 1 1 20 20 ILE H H 20 8.564 8.564 8.071 0.493 25300 502 1 8 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.097 -0.207 25300 503 1 8 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.517 -1.617 25300 504 1 8 . 1 1 21 21 LYS H H 21 8.594 8.594 7.943 0.651 25300 505 1 8 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.134 -0.043 25300 506 1 8 . 1 1 22 22 ARG H H 22 8.260 8.260 7.882 0.378 25300 507 1 8 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.196 -0.046 25300 508 1 8 . 1 1 23 23 LYS H H 23 8.325 8.325 7.729 0.596 25300 509 1 8 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.315 -0.221 25300 510 1 8 . 1 1 24 24 ARG H H 24 8.222 8.222 7.714 0.508 25300 511 1 8 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.260 -0.140 25300 512 1 8 . 1 1 25 25 GLN H H 25 7.986 7.986 7.883 0.103 25300 513 1 9 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.011 0.031 25300 514 1 9 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.729 -3.299 25300 515 1 9 . 1 1 2 2 ILE CB C 2 36.140 36.140 38.075 -1.935 25300 516 1 9 . 1 1 2 2 ILE H H 2 9.067 9.067 8.546 0.521 25300 517 1 9 . 1 1 3 3 GLY H H 3 8.961 8.961 8.432 0.529 25300 518 1 9 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.297 -0.217 25300 519 1 9 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.464 -1.814 25300 520 1 9 . 1 1 4 4 ALA H H 4 7.928 7.928 7.951 -0.023 25300 521 1 9 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.773 -0.194 25300 522 1 9 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.356 -1.446 25300 523 1 9 . 1 1 5 5 VAL H H 5 7.493 7.493 7.899 -0.406 25300 524 1 9 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.329 -0.239 25300 525 1 9 . 1 1 6 6 LEU H H 6 8.260 8.260 7.720 0.540 25300 526 1 9 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.139 -0.049 25300 527 1 9 . 1 1 7 7 LYS H H 7 8.260 8.260 7.721 0.539 25300 528 1 9 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.095 -0.396 25300 529 1 9 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.984 0.416 25300 530 1 9 . 1 1 8 8 VAL H H 8 8.153 8.153 7.663 0.490 25300 531 1 9 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.398 -0.241 25300 532 1 9 . 1 1 9 9 LEU H H 9 8.324 8.324 7.311 1.013 25300 533 1 9 . 1 1 10 10 THR HA H 10 4.150 4.150 4.476 -0.326 25300 534 1 9 . 1 1 10 10 THR CA C 10 62.650 62.650 62.850 -0.200 25300 535 1 9 . 1 1 10 10 THR CB C 10 66.900 66.900 67.421 -0.521 25300 536 1 9 . 1 1 10 10 THR H H 10 8.132 8.132 7.509 0.623 25300 537 1 9 . 1 1 11 11 THR HA H 11 4.313 4.313 4.453 -0.140 25300 538 1 9 . 1 1 11 11 THR CA C 11 61.730 61.730 62.819 -1.089 25300 539 1 9 . 1 1 11 11 THR CB C 11 67.410 67.410 70.939 -3.529 25300 540 1 9 . 1 1 11 11 THR H H 11 7.869 7.869 7.639 0.230 25300 541 1 9 . 1 1 12 12 GLY CA C 12 43.240 43.240 45.120 -1.880 25300 542 1 9 . 1 1 12 12 GLY H H 12 8.188 8.188 7.929 0.259 25300 543 1 9 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.800 -0.412 25300 544 1 9 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.208 0.552 25300 545 1 9 . 1 1 13 13 LEU H H 13 8.321 8.321 8.545 -0.224 25300 546 1 9 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.410 -0.170 25300 547 1 9 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.860 -0.750 25300 548 1 9 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.387 -0.198 25300 549 1 9 . 1 1 15 15 ALA H H 15 7.554 7.554 8.395 -0.841 25300 550 1 9 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.127 0.108 25300 551 1 9 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.563 -1.613 25300 552 1 9 . 1 1 16 16 LEU H H 16 8.166 8.166 7.503 0.663 25300 553 1 9 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.827 -0.099 25300 554 1 9 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.412 -0.952 25300 555 1 9 . 1 1 17 17 ILE H H 17 8.611 8.611 7.548 1.063 25300 556 1 9 . 1 1 18 18 SER HA H 18 4.123 4.123 4.328 -0.205 25300 557 1 9 . 1 1 18 18 SER CA C 18 54.950 54.950 61.481 -6.531 25300 558 1 9 . 1 1 18 18 SER CB C 18 55.830 55.830 62.791 -6.961 25300 559 1 9 . 1 1 18 18 SER H H 18 8.395 8.395 8.078 0.317 25300 560 1 9 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.462 -0.314 25300 561 1 9 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.500 -2.680 25300 562 1 9 . 1 1 19 19 TRP H H 19 8.436 8.436 7.746 0.690 25300 563 1 9 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.893 -0.353 25300 564 1 9 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.443 -1.143 25300 565 1 9 . 1 1 20 20 ILE H H 20 8.564 8.564 8.088 0.476 25300 566 1 9 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.096 -0.206 25300 567 1 9 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.510 -1.610 25300 568 1 9 . 1 1 21 21 LYS H H 21 8.594 8.594 7.943 0.651 25300 569 1 9 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.149 -0.058 25300 570 1 9 . 1 1 22 22 ARG H H 22 8.260 8.260 7.870 0.390 25300 571 1 9 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.185 -0.035 25300 572 1 9 . 1 1 23 23 LYS H H 23 8.325 8.325 7.704 0.621 25300 573 1 9 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.300 -0.206 25300 574 1 9 . 1 1 24 24 ARG H H 24 8.222 8.222 7.731 0.491 25300 575 1 9 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.259 -0.139 25300 576 1 9 . 1 1 25 25 GLN H H 25 7.986 7.986 7.883 0.103 25300 577 1 10 . 1 1 2 2 ILE HA H 2 4.042 4.042 4.090 -0.048 25300 578 1 10 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.699 -3.269 25300 579 1 10 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.664 -1.524 25300 580 1 10 . 1 1 2 2 ILE H H 2 9.067 9.067 8.450 0.617 25300 581 1 10 . 1 1 3 3 GLY H H 3 8.961 8.961 8.448 0.513 25300 582 1 10 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.259 -0.179 25300 583 1 10 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.505 -1.855 25300 584 1 10 . 1 1 4 4 ALA H H 4 7.928 7.928 7.870 0.058 25300 585 1 10 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.613 -0.034 25300 586 1 10 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.866 -1.956 25300 587 1 10 . 1 1 5 5 VAL H H 5 7.493 7.493 7.884 -0.391 25300 588 1 10 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.070 0.020 25300 589 1 10 . 1 1 6 6 LEU H H 6 8.260 8.260 7.896 0.364 25300 590 1 10 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.096 -0.006 25300 591 1 10 . 1 1 7 7 LYS H H 7 8.260 8.260 7.612 0.648 25300 592 1 10 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.224 -0.525 25300 593 1 10 . 1 1 8 8 VAL CA C 8 64.400 64.400 64.196 0.204 25300 594 1 10 . 1 1 8 8 VAL H H 8 8.153 8.153 7.785 0.368 25300 595 1 10 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.477 -0.320 25300 596 1 10 . 1 1 9 9 LEU H H 9 8.324 8.324 7.387 0.937 25300 597 1 10 . 1 1 10 10 THR HA H 10 4.150 4.150 4.280 -0.130 25300 598 1 10 . 1 1 10 10 THR CA C 10 62.650 62.650 63.935 -1.285 25300 599 1 10 . 1 1 10 10 THR CB C 10 66.900 66.900 69.190 -2.290 25300 600 1 10 . 1 1 10 10 THR H H 10 8.132 8.132 7.778 0.354 25300 601 1 10 . 1 1 11 11 THR HA H 11 4.313 4.313 4.475 -0.162 25300 602 1 10 . 1 1 11 11 THR CA C 11 61.730 61.730 62.031 -0.301 25300 603 1 10 . 1 1 11 11 THR CB C 11 67.410 67.410 69.623 -2.213 25300 604 1 10 . 1 1 11 11 THR H H 11 7.869 7.869 7.717 0.152 25300 605 1 10 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.746 -1.506 25300 606 1 10 . 1 1 12 12 GLY H H 12 8.188 8.188 7.758 0.430 25300 607 1 10 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.834 -0.446 25300 608 1 10 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.847 -0.088 25300 609 1 10 . 1 1 13 13 LEU H H 13 8.321 8.321 8.168 0.153 25300 610 1 10 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.581 -0.341 25300 611 1 10 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.468 -0.358 25300 612 1 10 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.344 -0.155 25300 613 1 10 . 1 1 15 15 ALA H H 15 7.554 7.554 8.314 -0.760 25300 614 1 10 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.114 0.121 25300 615 1 10 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.960 -2.010 25300 616 1 10 . 1 1 16 16 LEU H H 16 8.166 8.166 7.760 0.406 25300 617 1 10 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.820 -0.092 25300 618 1 10 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.399 -0.939 25300 619 1 10 . 1 1 17 17 ILE H H 17 8.611 8.611 7.509 1.102 25300 620 1 10 . 1 1 18 18 SER HA H 18 4.123 4.123 4.328 -0.205 25300 621 1 10 . 1 1 18 18 SER CA C 18 54.950 54.950 61.547 -6.597 25300 622 1 10 . 1 1 18 18 SER CB C 18 55.830 55.830 62.727 -6.897 25300 623 1 10 . 1 1 18 18 SER H H 18 8.395 8.395 8.151 0.244 25300 624 1 10 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.475 -0.327 25300 625 1 10 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.469 -2.649 25300 626 1 10 . 1 1 19 19 TRP H H 19 8.436 8.436 7.961 0.475 25300 627 1 10 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.879 -0.339 25300 628 1 10 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.546 -1.246 25300 629 1 10 . 1 1 20 20 ILE H H 20 8.564 8.564 8.062 0.502 25300 630 1 10 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.082 -0.192 25300 631 1 10 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.591 -1.691 25300 632 1 10 . 1 1 21 21 LYS H H 21 8.594 8.594 7.966 0.628 25300 633 1 10 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.135 -0.044 25300 634 1 10 . 1 1 22 22 ARG H H 22 8.260 8.260 7.886 0.374 25300 635 1 10 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.182 -0.032 25300 636 1 10 . 1 1 23 23 LYS H H 23 8.325 8.325 7.824 0.501 25300 637 1 10 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.293 -0.199 25300 638 1 10 . 1 1 24 24 ARG H H 24 8.222 8.222 7.747 0.475 25300 639 1 10 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.257 -0.137 25300 640 1 10 . 1 1 25 25 GLN H H 25 7.986 7.986 7.873 0.113 25300 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 0 0.000 0.000 0.000 25300 2 1 1 "Average Difference" HA 26 0.225 0.168 0.153 25300 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25300 4 1 1 "Average Difference" CA 15 2.346 1.525 1.845 25300 5 1 1 "Average Difference" CB 4 4.076 3.554 2.305 25300 6 1 1 "Average Difference" HN 23 0.571 -0.379 0.436 25300 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25300 8 1 2 "Average Difference" HA 26 0.201 0.146 0.141 25300 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25300 10 1 2 "Average Difference" CA 15 2.416 1.731 1.744 25300 11 1 2 "Average Difference" CB 4 4.042 3.495 2.344 25300 12 1 2 "Average Difference" HN 23 0.542 -0.380 0.396 25300 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25300 14 1 3 "Average Difference" HA 26 0.216 0.167 0.140 25300 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25300 16 1 3 "Average Difference" CA 15 2.399 1.687 1.765 25300 17 1 3 "Average Difference" CB 4 4.053 3.178 2.904 25300 18 1 3 "Average Difference" HN 23 0.538 -0.350 0.418 25300 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25300 20 1 4 "Average Difference" HA 26 0.205 0.146 0.147 25300 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25300 22 1 4 "Average Difference" CA 15 2.403 1.503 1.940 25300 23 1 4 "Average Difference" CB 4 4.064 3.429 2.519 25300 24 1 4 "Average Difference" HN 23 0.568 -0.372 0.439 25300 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25300 26 1 5 "Average Difference" HA 26 0.202 0.136 0.152 25300 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25300 28 1 5 "Average Difference" CA 15 2.358 1.770 1.613 25300 29 1 5 "Average Difference" CB 4 3.880 3.253 2.441 25300 30 1 5 "Average Difference" HN 23 0.498 -0.336 0.376 25300 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25300 32 1 6 "Average Difference" HA 26 0.215 0.145 0.162 25300 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25300 34 1 6 "Average Difference" CA 15 2.345 1.716 1.655 25300 35 1 6 "Average Difference" CB 4 3.877 3.233 2.470 25300 36 1 6 "Average Difference" HN 23 0.519 -0.360 0.383 25300 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25300 38 1 7 "Average Difference" HA 26 0.214 0.142 0.164 25300 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25300 40 1 7 "Average Difference" CA 15 2.347 1.740 1.630 25300 41 1 7 "Average Difference" CB 4 3.865 3.215 2.477 25300 42 1 7 "Average Difference" HN 23 0.519 -0.349 0.392 25300 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25300 44 1 8 "Average Difference" HA 26 0.198 0.150 0.132 25300 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25300 46 1 8 "Average Difference" CA 15 2.263 1.485 1.768 25300 47 1 8 "Average Difference" CB 4 3.973 3.146 2.801 25300 48 1 8 "Average Difference" HN 23 0.553 -0.381 0.410 25300 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25300 50 1 9 "Average Difference" HA 26 0.221 0.171 0.144 25300 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25300 52 1 9 "Average Difference" CA 15 2.300 1.603 1.707 25300 53 1 9 "Average Difference" CB 4 4.029 3.236 2.771 25300 54 1 9 "Average Difference" HN 23 0.568 -0.379 0.432 25300 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25300 56 1 10 "Average Difference" HA 26 0.220 0.150 0.164 25300 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25300 58 1 10 "Average Difference" CA 15 2.338 1.703 1.659 25300 59 1 10 "Average Difference" CB 4 3.874 3.231 2.468 25300 60 1 10 "Average Difference" HN 23 0.521 -0.359 0.386 25300 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 25300 _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 ILE HA H 2 4.042 4.042 3.996 0.046 25300 2 1 . 1 1 2 2 ILE CA C 2 60.430 60.430 63.599 -3.169 25300 3 1 . 1 1 2 2 ILE CB C 2 36.140 36.140 37.934 -1.794 25300 4 1 . 1 1 2 2 ILE H H 2 9.067 9.067 8.465 0.602 25300 5 1 . 1 1 3 3 GLY H H 3 8.961 8.961 8.418 0.543 25300 6 1 . 1 1 4 4 ALA HA H 4 4.080 4.080 4.263 -0.183 25300 7 1 . 1 1 4 4 ALA CA C 4 52.650 52.650 54.496 -1.846 25300 8 1 . 1 1 4 4 ALA H H 4 7.928 7.928 7.832 0.096 25300 9 1 . 1 1 5 5 VAL HA H 5 3.579 3.579 3.673 -0.093 25300 10 1 . 1 1 5 5 VAL CA C 5 63.910 63.910 65.629 -1.719 25300 11 1 . 1 1 5 5 VAL H H 5 7.493 7.493 7.885 -0.392 25300 12 1 . 1 1 6 6 LEU HA H 6 4.090 4.090 4.155 -0.066 25300 13 1 . 1 1 6 6 LEU H H 6 8.260 8.260 7.847 0.413 25300 14 1 . 1 1 7 7 LYS HA H 7 4.090 4.090 4.134 -0.044 25300 15 1 . 1 1 7 7 LYS H H 7 8.260 8.260 7.739 0.521 25300 16 1 . 1 1 8 8 VAL HA H 8 3.699 3.699 4.089 -0.390 25300 17 1 . 1 1 8 8 VAL CA C 8 64.400 64.400 63.904 0.496 25300 18 1 . 1 1 8 8 VAL H H 8 8.153 8.153 7.651 0.502 25300 19 1 . 1 1 9 9 LEU HA H 9 4.157 4.157 4.444 -0.287 25300 20 1 . 1 1 9 9 LEU H H 9 8.324 8.324 7.403 0.921 25300 21 1 . 1 1 10 10 THR HA H 10 4.150 4.150 4.344 -0.194 25300 22 1 . 1 1 10 10 THR CA C 10 62.650 62.650 63.574 -0.924 25300 23 1 . 1 1 10 10 THR CB C 10 66.900 66.900 68.659 -1.759 25300 24 1 . 1 1 10 10 THR H H 10 8.132 8.132 7.740 0.392 25300 25 1 . 1 1 11 11 THR HA H 11 4.313 4.313 4.464 -0.151 25300 26 1 . 1 1 11 11 THR CA C 11 61.730 61.730 62.264 -0.533 25300 27 1 . 1 1 11 11 THR CB C 11 67.410 67.410 70.060 -2.649 25300 28 1 . 1 1 11 11 THR H H 11 7.869 7.869 7.694 0.175 25300 29 1 . 1 1 12 12 GLY CA C 12 43.240 43.240 44.845 -1.605 25300 30 1 . 1 1 12 12 GLY H H 12 8.188 8.188 7.897 0.291 25300 31 1 . 1 1 13 13 LEU HA H 13 4.388 4.388 4.802 -0.414 25300 32 1 . 1 1 13 13 LEU CA C 13 56.760 56.760 56.642 0.118 25300 33 1 . 1 1 13 13 LEU H H 13 8.321 8.321 8.252 0.069 25300 34 1 . 1 1 14 14 PRO HA H 14 4.240 4.240 4.507 -0.267 25300 35 1 . 1 1 14 14 PRO CA C 14 64.110 64.110 64.648 -0.538 25300 36 1 . 1 1 15 15 ALA HA H 15 4.189 4.189 4.368 -0.179 25300 37 1 . 1 1 15 15 ALA H H 15 7.554 7.554 8.378 -0.824 25300 38 1 . 1 1 16 16 LEU HA H 16 4.235 4.235 4.144 0.091 25300 39 1 . 1 1 16 16 LEU CA C 16 55.950 55.950 57.808 -1.858 25300 40 1 . 1 1 16 16 LEU H H 16 8.166 8.166 7.638 0.528 25300 41 1 . 1 1 17 17 ILE HA H 17 3.728 3.728 3.818 -0.090 25300 42 1 . 1 1 17 17 ILE CA C 17 62.460 62.460 63.359 -0.899 25300 43 1 . 1 1 17 17 ILE H H 17 8.611 8.611 7.553 1.058 25300 44 1 . 1 1 18 18 SER HA H 18 4.123 4.123 4.307 -0.184 25300 45 1 . 1 1 18 18 SER CA C 18 54.950 54.950 61.729 -6.779 25300 46 1 . 1 1 18 18 SER CB C 18 55.830 55.830 62.817 -6.987 25300 47 1 . 1 1 18 18 SER H H 18 8.395 8.395 8.106 0.290 25300 48 1 . 1 1 19 19 TRP HA H 19 4.148 4.148 4.458 -0.310 25300 49 1 . 1 1 19 19 TRP CA C 19 58.820 58.820 61.401 -2.581 25300 50 1 . 1 1 19 19 TRP H H 19 8.436 8.436 7.855 0.581 25300 51 1 . 1 1 20 20 ILE HA H 20 3.540 3.540 3.889 -0.349 25300 52 1 . 1 1 20 20 ILE CA C 20 63.300 63.300 64.510 -1.210 25300 53 1 . 1 1 20 20 ILE H H 20 8.564 8.564 8.075 0.489 25300 54 1 . 1 1 21 21 LYS HA H 21 3.890 3.890 4.093 -0.203 25300 55 1 . 1 1 21 21 LYS CA C 21 57.900 57.900 59.548 -1.648 25300 56 1 . 1 1 21 21 LYS H H 21 8.594 8.594 7.944 0.650 25300 57 1 . 1 1 22 22 ARG HA H 22 4.091 4.091 4.141 -0.051 25300 58 1 . 1 1 22 22 ARG H H 22 8.260 8.260 7.882 0.378 25300 59 1 . 1 1 23 23 LYS HA H 23 4.150 4.150 4.192 -0.042 25300 60 1 . 1 1 23 23 LYS H H 23 8.325 8.325 7.767 0.558 25300 61 1 . 1 1 24 24 ARG HA H 24 4.094 4.094 4.294 -0.200 25300 62 1 . 1 1 24 24 ARG H H 24 8.222 8.222 7.785 0.437 25300 63 1 . 1 1 25 25 GLN HA H 25 4.120 4.120 4.258 -0.138 25300 64 1 . 1 1 25 25 GLN H H 25 7.986 7.986 7.880 0.106 25300 stop_ save_