data_25470 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25470 _Entry.PDB_ID 2MZ2 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 25470 _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 4 4 ASP HA H 4 4.930 4.930 4.298 0.632 25470 2 1 1 . 1 1 4 4 ASP H H 4 8.290 8.290 7.984 0.306 25470 3 1 1 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.158 0.152 25470 4 1 1 . 1 1 5 5 LEU H H 5 8.480 8.480 7.984 0.496 25470 5 1 1 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.023 0.137 25470 6 1 1 . 1 1 6 6 ARG H H 6 8.220 8.220 7.409 0.811 25470 7 1 1 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.469 0.201 25470 8 1 1 . 1 1 7 7 HIS H H 7 8.010 8.010 7.892 0.118 25470 9 1 1 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.201 0.149 25470 10 1 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.646 0.554 25470 11 1 1 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.321 0.189 25470 12 1 1 . 1 1 9 9 PHE H H 9 8.360 8.360 7.698 0.662 25470 13 1 1 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.220 -0.120 25470 14 1 1 . 1 1 10 10 ARG H H 10 8.070 8.070 7.570 0.500 25470 15 1 1 . 1 1 11 11 SER HA H 11 4.470 4.470 4.368 0.102 25470 16 1 1 . 1 1 11 11 SER H H 11 7.940 7.940 7.719 0.221 25470 17 1 1 . 1 1 12 12 MET HA H 12 4.410 4.410 4.312 0.098 25470 18 1 1 . 1 1 12 12 MET H H 12 7.690 7.690 7.440 0.250 25470 19 1 1 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.797 0.113 25470 20 1 1 . 1 1 13 13 PHE H H 13 7.680 7.680 7.706 -0.026 25470 21 1 1 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.364 0.296 25470 22 1 1 . 1 1 15 15 SER HA H 15 4.690 4.690 4.409 0.281 25470 23 1 1 . 1 1 15 15 SER H H 15 8.340 8.340 8.343 -0.003 25470 24 1 1 . 1 1 16 16 SER HA H 16 4.670 4.670 4.449 0.221 25470 25 1 1 . 1 1 16 16 SER H H 16 8.380 8.380 7.908 0.472 25470 26 1 2 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.567 0.363 25470 27 1 2 . 1 1 4 4 ASP H H 4 8.290 8.290 8.418 -0.128 25470 28 1 2 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.164 0.146 25470 29 1 2 . 1 1 5 5 LEU H H 5 8.480 8.480 8.214 0.266 25470 30 1 2 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.337 -0.177 25470 31 1 2 . 1 1 6 6 ARG H H 6 8.220 8.220 7.707 0.513 25470 32 1 2 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.528 0.142 25470 33 1 2 . 1 1 7 7 HIS H H 7 8.010 8.010 8.213 -0.203 25470 34 1 2 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.195 0.155 25470 35 1 2 . 1 1 8 8 ALA H H 8 8.200 8.200 7.507 0.693 25470 36 1 2 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.384 0.126 25470 37 1 2 . 1 1 9 9 PHE H H 9 8.360 8.360 7.505 0.855 25470 38 1 2 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.268 -0.168 25470 39 1 2 . 1 1 10 10 ARG H H 10 8.070 8.070 7.567 0.503 25470 40 1 2 . 1 1 11 11 SER HA H 11 4.470 4.470 4.336 0.134 25470 41 1 2 . 1 1 11 11 SER H H 11 7.940 7.940 7.508 0.432 25470 42 1 2 . 1 1 12 12 MET HA H 12 4.410 4.410 4.305 0.105 25470 43 1 2 . 1 1 12 12 MET H H 12 7.690 7.690 7.545 0.145 25470 44 1 2 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.770 0.140 25470 45 1 2 . 1 1 13 13 PHE H H 13 7.680 7.680 7.686 -0.006 25470 46 1 2 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.398 0.262 25470 47 1 2 . 1 1 15 15 SER HA H 15 4.690 4.690 4.347 0.343 25470 48 1 2 . 1 1 15 15 SER H H 15 8.340 8.340 8.695 -0.355 25470 49 1 2 . 1 1 16 16 SER HA H 16 4.670 4.670 4.450 0.220 25470 50 1 2 . 1 1 16 16 SER H H 16 8.380 8.380 7.646 0.734 25470 51 1 3 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.585 0.345 25470 52 1 3 . 1 1 4 4 ASP H H 4 8.290 8.290 8.151 0.139 25470 53 1 3 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.174 0.136 25470 54 1 3 . 1 1 5 5 LEU H H 5 8.480 8.480 8.064 0.416 25470 55 1 3 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.166 -0.006 25470 56 1 3 . 1 1 6 6 ARG H H 6 8.220 8.220 7.535 0.685 25470 57 1 3 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.462 0.208 25470 58 1 3 . 1 1 7 7 HIS H H 7 8.010 8.010 8.091 -0.081 25470 59 1 3 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.255 0.095 25470 60 1 3 . 1 1 8 8 ALA H H 8 8.200 8.200 7.623 0.577 25470 61 1 3 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.240 0.270 25470 62 1 3 . 1 1 9 9 PHE H H 9 8.360 8.360 7.742 0.618 25470 63 1 3 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.109 -0.009 25470 64 1 3 . 1 1 10 10 ARG H H 10 8.070 8.070 7.577 0.493 25470 65 1 3 . 1 1 11 11 SER HA H 11 4.470 4.470 4.375 0.095 25470 66 1 3 . 1 1 11 11 SER H H 11 7.940 7.940 7.782 0.158 25470 67 1 3 . 1 1 12 12 MET HA H 12 4.410 4.410 4.267 0.143 25470 68 1 3 . 1 1 12 12 MET H H 12 7.690 7.690 7.475 0.215 25470 69 1 3 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.798 0.112 25470 70 1 3 . 1 1 13 13 PHE H H 13 7.680 7.680 7.539 0.141 25470 71 1 3 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.381 0.279 25470 72 1 3 . 1 1 15 15 SER HA H 15 4.690 4.690 4.401 0.289 25470 73 1 3 . 1 1 15 15 SER H H 15 8.340 8.340 8.346 -0.006 25470 74 1 3 . 1 1 16 16 SER HA H 16 4.670 4.670 4.429 0.241 25470 75 1 3 . 1 1 16 16 SER H H 16 8.380 8.380 7.688 0.692 25470 76 1 4 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.423 0.507 25470 77 1 4 . 1 1 4 4 ASP H H 4 8.290 8.290 8.109 0.181 25470 78 1 4 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.181 0.129 25470 79 1 4 . 1 1 5 5 LEU H H 5 8.480 8.480 8.142 0.338 25470 80 1 4 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.226 -0.066 25470 81 1 4 . 1 1 6 6 ARG H H 6 8.220 8.220 7.546 0.674 25470 82 1 4 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.489 0.181 25470 83 1 4 . 1 1 7 7 HIS H H 7 8.010 8.010 8.288 -0.278 25470 84 1 4 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.314 0.036 25470 85 1 4 . 1 1 8 8 ALA H H 8 8.200 8.200 7.527 0.673 25470 86 1 4 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.249 0.261 25470 87 1 4 . 1 1 9 9 PHE H H 9 8.360 8.360 7.626 0.734 25470 88 1 4 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.073 0.027 25470 89 1 4 . 1 1 10 10 ARG H H 10 8.070 8.070 7.553 0.517 25470 90 1 4 . 1 1 11 11 SER HA H 11 4.470 4.470 4.314 0.156 25470 91 1 4 . 1 1 11 11 SER H H 11 7.940 7.940 7.437 0.503 25470 92 1 4 . 1 1 12 12 MET HA H 12 4.410 4.410 4.341 0.069 25470 93 1 4 . 1 1 12 12 MET H H 12 7.690 7.690 7.447 0.243 25470 94 1 4 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.756 0.154 25470 95 1 4 . 1 1 13 13 PHE H H 13 7.680 7.680 7.457 0.224 25470 96 1 4 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.379 0.281 25470 97 1 4 . 1 1 15 15 SER HA H 15 4.690 4.690 4.468 0.222 25470 98 1 4 . 1 1 15 15 SER H H 15 8.340 8.340 8.391 -0.051 25470 99 1 4 . 1 1 16 16 SER HA H 16 4.670 4.670 4.500 0.170 25470 100 1 4 . 1 1 16 16 SER H H 16 8.380 8.380 7.680 0.700 25470 101 1 5 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.568 0.362 25470 102 1 5 . 1 1 4 4 ASP H H 4 8.290 8.290 8.331 -0.040 25470 103 1 5 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.150 0.160 25470 104 1 5 . 1 1 5 5 LEU H H 5 8.480 8.480 7.928 0.552 25470 105 1 5 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.432 -0.272 25470 106 1 5 . 1 1 6 6 ARG H H 6 8.220 8.220 7.631 0.589 25470 107 1 5 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.501 0.169 25470 108 1 5 . 1 1 7 7 HIS H H 7 8.010 8.010 8.117 -0.107 25470 109 1 5 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.171 0.179 25470 110 1 5 . 1 1 8 8 ALA H H 8 8.200 8.200 7.505 0.695 25470 111 1 5 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.317 0.193 25470 112 1 5 . 1 1 9 9 PHE H H 9 8.360 8.360 7.448 0.912 25470 113 1 5 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.042 0.058 25470 114 1 5 . 1 1 10 10 ARG H H 10 8.070 8.070 7.518 0.552 25470 115 1 5 . 1 1 11 11 SER HA H 11 4.470 4.470 4.273 0.197 25470 116 1 5 . 1 1 11 11 SER H H 11 7.940 7.940 7.916 0.024 25470 117 1 5 . 1 1 12 12 MET HA H 12 4.410 4.410 4.325 0.085 25470 118 1 5 . 1 1 12 12 MET H H 12 7.690 7.690 7.533 0.157 25470 119 1 5 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.793 0.117 25470 120 1 5 . 1 1 13 13 PHE H H 13 7.680 7.680 7.525 0.155 25470 121 1 5 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.371 0.289 25470 122 1 5 . 1 1 15 15 SER HA H 15 4.690 4.690 4.320 0.370 25470 123 1 5 . 1 1 15 15 SER H H 15 8.340 8.340 8.596 -0.256 25470 124 1 5 . 1 1 16 16 SER HA H 16 4.670 4.670 4.480 0.190 25470 125 1 5 . 1 1 16 16 SER H H 16 8.380 8.380 7.663 0.717 25470 126 1 6 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.593 0.337 25470 127 1 6 . 1 1 4 4 ASP H H 4 8.290 8.290 8.331 -0.041 25470 128 1 6 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.086 0.224 25470 129 1 6 . 1 1 5 5 LEU H H 5 8.480 8.480 8.305 0.175 25470 130 1 6 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.132 0.028 25470 131 1 6 . 1 1 6 6 ARG H H 6 8.220 8.220 7.633 0.587 25470 132 1 6 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.513 0.157 25470 133 1 6 . 1 1 7 7 HIS H H 7 8.010 8.010 8.268 -0.258 25470 134 1 6 . 1 1 8 8 ALA HA H 8 4.350 4.350 3.745 0.605 25470 135 1 6 . 1 1 8 8 ALA H H 8 8.200 8.200 7.455 0.745 25470 136 1 6 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.299 0.211 25470 137 1 6 . 1 1 9 9 PHE H H 9 8.360 8.360 7.582 0.778 25470 138 1 6 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.175 -0.075 25470 139 1 6 . 1 1 10 10 ARG H H 10 8.070 8.070 7.434 0.636 25470 140 1 6 . 1 1 11 11 SER HA H 11 4.470 4.470 4.259 0.211 25470 141 1 6 . 1 1 11 11 SER H H 11 7.940 7.940 7.628 0.312 25470 142 1 6 . 1 1 12 12 MET HA H 12 4.410 4.410 4.255 0.155 25470 143 1 6 . 1 1 12 12 MET H H 12 7.690 7.690 7.799 -0.109 25470 144 1 6 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.752 0.158 25470 145 1 6 . 1 1 13 13 PHE H H 13 7.680 7.680 7.703 -0.023 25470 146 1 6 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.442 0.218 25470 147 1 6 . 1 1 15 15 SER HA H 15 4.690 4.690 4.385 0.305 25470 148 1 6 . 1 1 15 15 SER H H 15 8.340 8.340 8.468 -0.128 25470 149 1 6 . 1 1 16 16 SER HA H 16 4.670 4.670 4.373 0.297 25470 150 1 6 . 1 1 16 16 SER H H 16 8.380 8.380 7.827 0.553 25470 151 1 7 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.681 0.249 25470 152 1 7 . 1 1 4 4 ASP H H 4 8.290 8.290 8.367 -0.077 25470 153 1 7 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.120 0.190 25470 154 1 7 . 1 1 5 5 LEU H H 5 8.480 8.480 8.112 0.368 25470 155 1 7 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.136 0.024 25470 156 1 7 . 1 1 6 6 ARG H H 6 8.220 8.220 8.026 0.194 25470 157 1 7 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.521 0.149 25470 158 1 7 . 1 1 7 7 HIS H H 7 8.010 8.010 8.277 -0.267 25470 159 1 7 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.127 0.223 25470 160 1 7 . 1 1 8 8 ALA H H 8 8.200 8.200 7.571 0.629 25470 161 1 7 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.253 0.257 25470 162 1 7 . 1 1 9 9 PHE H H 9 8.360 8.360 7.615 0.745 25470 163 1 7 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.095 0.005 25470 164 1 7 . 1 1 10 10 ARG H H 10 8.070 8.070 7.434 0.636 25470 165 1 7 . 1 1 11 11 SER HA H 11 4.470 4.470 4.185 0.285 25470 166 1 7 . 1 1 11 11 SER H H 11 7.940 7.940 7.419 0.521 25470 167 1 7 . 1 1 12 12 MET HA H 12 4.410 4.410 4.310 0.100 25470 168 1 7 . 1 1 12 12 MET H H 12 7.690 7.690 7.513 0.177 25470 169 1 7 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.821 0.089 25470 170 1 7 . 1 1 13 13 PHE H H 13 7.680 7.680 7.680 0.000 25470 171 1 7 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.333 0.327 25470 172 1 7 . 1 1 15 15 SER HA H 15 4.690 4.690 4.355 0.335 25470 173 1 7 . 1 1 15 15 SER H H 15 8.340 8.340 8.604 -0.264 25470 174 1 7 . 1 1 16 16 SER HA H 16 4.670 4.670 4.525 0.145 25470 175 1 7 . 1 1 16 16 SER H H 16 8.380 8.380 7.749 0.631 25470 176 1 8 . 1 1 4 4 ASP HA H 4 4.930 4.930 3.933 0.997 25470 177 1 8 . 1 1 4 4 ASP H H 4 8.290 8.290 8.108 0.182 25470 178 1 8 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.030 0.280 25470 179 1 8 . 1 1 5 5 LEU H H 5 8.480 8.480 7.937 0.543 25470 180 1 8 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.111 0.049 25470 181 1 8 . 1 1 6 6 ARG H H 6 8.220 8.220 7.485 0.735 25470 182 1 8 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.480 0.190 25470 183 1 8 . 1 1 7 7 HIS H H 7 8.010 8.010 8.036 -0.026 25470 184 1 8 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.301 0.049 25470 185 1 8 . 1 1 8 8 ALA H H 8 8.200 8.200 7.562 0.638 25470 186 1 8 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.384 0.126 25470 187 1 8 . 1 1 9 9 PHE H H 9 8.360 8.360 7.654 0.706 25470 188 1 8 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.219 -0.119 25470 189 1 8 . 1 1 10 10 ARG H H 10 8.070 8.070 7.666 0.404 25470 190 1 8 . 1 1 11 11 SER HA H 11 4.470 4.470 4.345 0.125 25470 191 1 8 . 1 1 11 11 SER H H 11 7.940 7.940 7.462 0.478 25470 192 1 8 . 1 1 12 12 MET HA H 12 4.410 4.410 4.262 0.148 25470 193 1 8 . 1 1 12 12 MET H H 12 7.690 7.690 7.628 0.062 25470 194 1 8 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.654 0.256 25470 195 1 8 . 1 1 13 13 PHE H H 13 7.680 7.680 7.439 0.241 25470 196 1 8 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.421 0.239 25470 197 1 8 . 1 1 15 15 SER HA H 15 4.690 4.690 4.445 0.245 25470 198 1 8 . 1 1 15 15 SER H H 15 8.340 8.340 8.232 0.108 25470 199 1 8 . 1 1 16 16 SER HA H 16 4.670 4.670 4.447 0.223 25470 200 1 8 . 1 1 16 16 SER H H 16 8.380 8.380 7.695 0.685 25470 201 1 9 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.244 0.686 25470 202 1 9 . 1 1 4 4 ASP H H 4 8.290 8.290 8.030 0.260 25470 203 1 9 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.139 0.171 25470 204 1 9 . 1 1 5 5 LEU H H 5 8.480 8.480 8.099 0.381 25470 205 1 9 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.236 -0.076 25470 206 1 9 . 1 1 6 6 ARG H H 6 8.220 8.220 7.745 0.475 25470 207 1 9 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.504 0.166 25470 208 1 9 . 1 1 7 7 HIS H H 7 8.010 8.010 8.311 -0.301 25470 209 1 9 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.228 0.122 25470 210 1 9 . 1 1 8 8 ALA H H 8 8.200 8.200 7.643 0.557 25470 211 1 9 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.297 0.213 25470 212 1 9 . 1 1 9 9 PHE H H 9 8.360 8.360 7.631 0.729 25470 213 1 9 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.210 -0.110 25470 214 1 9 . 1 1 10 10 ARG H H 10 8.070 8.070 7.671 0.399 25470 215 1 9 . 1 1 11 11 SER HA H 11 4.470 4.470 4.316 0.154 25470 216 1 9 . 1 1 11 11 SER H H 11 7.940 7.940 7.581 0.359 25470 217 1 9 . 1 1 12 12 MET HA H 12 4.410 4.410 4.345 0.065 25470 218 1 9 . 1 1 12 12 MET H H 12 7.690 7.690 7.543 0.147 25470 219 1 9 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.760 0.150 25470 220 1 9 . 1 1 13 13 PHE H H 13 7.680 7.680 7.706 -0.026 25470 221 1 9 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.374 0.286 25470 222 1 9 . 1 1 15 15 SER HA H 15 4.690 4.690 4.337 0.353 25470 223 1 9 . 1 1 15 15 SER H H 15 8.340 8.340 8.320 0.020 25470 224 1 9 . 1 1 16 16 SER HA H 16 4.670 4.670 4.440 0.230 25470 225 1 9 . 1 1 16 16 SER H H 16 8.380 8.380 7.807 0.573 25470 226 1 10 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.644 0.286 25470 227 1 10 . 1 1 4 4 ASP H H 4 8.290 8.290 8.081 0.209 25470 228 1 10 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.142 0.168 25470 229 1 10 . 1 1 5 5 LEU H H 5 8.480 8.480 7.904 0.576 25470 230 1 10 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.247 -0.087 25470 231 1 10 . 1 1 6 6 ARG H H 6 8.220 8.220 7.569 0.651 25470 232 1 10 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.477 0.193 25470 233 1 10 . 1 1 7 7 HIS H H 7 8.010 8.010 8.156 -0.146 25470 234 1 10 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.269 0.081 25470 235 1 10 . 1 1 8 8 ALA H H 8 8.200 8.200 7.542 0.658 25470 236 1 10 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.217 0.293 25470 237 1 10 . 1 1 9 9 PHE H H 9 8.360 8.360 7.689 0.671 25470 238 1 10 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.220 -0.120 25470 239 1 10 . 1 1 10 10 ARG H H 10 8.070 8.070 7.799 0.271 25470 240 1 10 . 1 1 11 11 SER HA H 11 4.470 4.470 4.414 0.056 25470 241 1 10 . 1 1 11 11 SER H H 11 7.940 7.940 7.705 0.235 25470 242 1 10 . 1 1 12 12 MET HA H 12 4.410 4.410 4.452 -0.042 25470 243 1 10 . 1 1 12 12 MET H H 12 7.690 7.690 8.039 -0.349 25470 244 1 10 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.885 0.025 25470 245 1 10 . 1 1 13 13 PHE H H 13 7.680 7.680 7.695 -0.015 25470 246 1 10 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.428 0.232 25470 247 1 10 . 1 1 15 15 SER HA H 15 4.690 4.690 4.417 0.273 25470 248 1 10 . 1 1 15 15 SER H H 15 8.340 8.340 8.481 -0.141 25470 249 1 10 . 1 1 16 16 SER HA H 16 4.670 4.670 4.520 0.150 25470 250 1 10 . 1 1 16 16 SER H H 16 8.380 8.380 7.751 0.629 25470 251 1 11 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.672 0.258 25470 252 1 11 . 1 1 4 4 ASP H H 4 8.290 8.290 7.898 0.392 25470 253 1 11 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.137 0.173 25470 254 1 11 . 1 1 5 5 LEU H H 5 8.480 8.480 7.796 0.684 25470 255 1 11 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.168 -0.008 25470 256 1 11 . 1 1 6 6 ARG H H 6 8.220 8.220 8.041 0.179 25470 257 1 11 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.526 0.144 25470 258 1 11 . 1 1 7 7 HIS H H 7 8.010 8.010 8.338 -0.328 25470 259 1 11 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.266 0.084 25470 260 1 11 . 1 1 8 8 ALA H H 8 8.200 8.200 7.656 0.544 25470 261 1 11 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.367 0.143 25470 262 1 11 . 1 1 9 9 PHE H H 9 8.360 8.360 7.654 0.706 25470 263 1 11 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.184 -0.084 25470 264 1 11 . 1 1 10 10 ARG H H 10 8.070 8.070 7.530 0.540 25470 265 1 11 . 1 1 11 11 SER HA H 11 4.470 4.470 4.313 0.157 25470 266 1 11 . 1 1 11 11 SER H H 11 7.940 7.940 7.524 0.416 25470 267 1 11 . 1 1 12 12 MET HA H 12 4.410 4.410 4.214 0.196 25470 268 1 11 . 1 1 12 12 MET H H 12 7.690 7.690 7.711 -0.021 25470 269 1 11 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.581 0.329 25470 270 1 11 . 1 1 13 13 PHE H H 13 7.680 7.680 7.391 0.289 25470 271 1 11 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.354 0.306 25470 272 1 11 . 1 1 15 15 SER HA H 15 4.690 4.690 4.363 0.327 25470 273 1 11 . 1 1 15 15 SER H H 15 8.340 8.340 8.450 -0.110 25470 274 1 11 . 1 1 16 16 SER HA H 16 4.670 4.670 4.346 0.324 25470 275 1 11 . 1 1 16 16 SER H H 16 8.380 8.380 7.744 0.636 25470 276 1 12 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.561 0.369 25470 277 1 12 . 1 1 4 4 ASP H H 4 8.290 8.290 8.078 0.212 25470 278 1 12 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.160 0.150 25470 279 1 12 . 1 1 5 5 LEU H H 5 8.480 8.480 8.158 0.322 25470 280 1 12 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.162 -0.002 25470 281 1 12 . 1 1 6 6 ARG H H 6 8.220 8.220 7.713 0.507 25470 282 1 12 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.452 0.218 25470 283 1 12 . 1 1 7 7 HIS H H 7 8.010 8.010 8.180 -0.170 25470 284 1 12 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.107 0.243 25470 285 1 12 . 1 1 8 8 ALA H H 8 8.200 8.200 7.523 0.677 25470 286 1 12 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.322 0.188 25470 287 1 12 . 1 1 9 9 PHE H H 9 8.360 8.360 7.664 0.696 25470 288 1 12 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.016 0.084 25470 289 1 12 . 1 1 10 10 ARG H H 10 8.070 8.070 7.473 0.597 25470 290 1 12 . 1 1 11 11 SER HA H 11 4.470 4.470 4.289 0.181 25470 291 1 12 . 1 1 11 11 SER H H 11 7.940 7.940 8.020 -0.080 25470 292 1 12 . 1 1 12 12 MET HA H 12 4.410 4.410 4.207 0.203 25470 293 1 12 . 1 1 12 12 MET H H 12 7.690 7.690 7.441 0.249 25470 294 1 12 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.634 0.276 25470 295 1 12 . 1 1 13 13 PHE H H 13 7.680 7.680 7.314 0.366 25470 296 1 12 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.401 0.259 25470 297 1 12 . 1 1 15 15 SER HA H 15 4.690 4.690 4.396 0.294 25470 298 1 12 . 1 1 15 15 SER H H 15 8.340 8.340 8.340 0.000 25470 299 1 12 . 1 1 16 16 SER HA H 16 4.670 4.670 4.484 0.186 25470 300 1 12 . 1 1 16 16 SER H H 16 8.380 8.380 7.735 0.645 25470 301 1 13 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.571 0.359 25470 302 1 13 . 1 1 4 4 ASP H H 4 8.290 8.290 8.206 0.084 25470 303 1 13 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.159 0.151 25470 304 1 13 . 1 1 5 5 LEU H H 5 8.480 8.480 8.181 0.299 25470 305 1 13 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.240 -0.080 25470 306 1 13 . 1 1 6 6 ARG H H 6 8.220 8.220 7.630 0.590 25470 307 1 13 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.491 0.179 25470 308 1 13 . 1 1 7 7 HIS H H 7 8.010 8.010 8.045 -0.035 25470 309 1 13 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.111 0.239 25470 310 1 13 . 1 1 8 8 ALA H H 8 8.200 8.200 7.496 0.704 25470 311 1 13 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.323 0.187 25470 312 1 13 . 1 1 9 9 PHE H H 9 8.360 8.360 7.554 0.806 25470 313 1 13 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.104 -0.004 25470 314 1 13 . 1 1 10 10 ARG H H 10 8.070 8.070 7.362 0.708 25470 315 1 13 . 1 1 11 11 SER HA H 11 4.470 4.470 4.258 0.212 25470 316 1 13 . 1 1 11 11 SER H H 11 7.940 7.940 7.385 0.555 25470 317 1 13 . 1 1 12 12 MET HA H 12 4.410 4.410 4.313 0.097 25470 318 1 13 . 1 1 12 12 MET H H 12 7.690 7.690 7.585 0.105 25470 319 1 13 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.821 0.089 25470 320 1 13 . 1 1 13 13 PHE H H 13 7.680 7.680 7.668 0.012 25470 321 1 13 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.403 0.257 25470 322 1 13 . 1 1 15 15 SER HA H 15 4.690 4.690 4.397 0.293 25470 323 1 13 . 1 1 15 15 SER H H 15 8.340 8.340 8.352 -0.012 25470 324 1 13 . 1 1 16 16 SER HA H 16 4.670 4.670 4.356 0.314 25470 325 1 13 . 1 1 16 16 SER H H 16 8.380 8.380 7.610 0.770 25470 326 1 14 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.797 0.133 25470 327 1 14 . 1 1 4 4 ASP H H 4 8.290 8.290 8.389 -0.099 25470 328 1 14 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.146 0.164 25470 329 1 14 . 1 1 5 5 LEU H H 5 8.480 8.480 7.651 0.829 25470 330 1 14 . 1 1 6 6 ARG HA H 6 4.160 4.160 3.790 0.370 25470 331 1 14 . 1 1 6 6 ARG H H 6 8.220 8.220 7.650 0.570 25470 332 1 14 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.458 0.212 25470 333 1 14 . 1 1 7 7 HIS H H 7 8.010 8.010 7.894 0.116 25470 334 1 14 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.248 0.102 25470 335 1 14 . 1 1 8 8 ALA H H 8 8.200 8.200 7.607 0.593 25470 336 1 14 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.307 0.203 25470 337 1 14 . 1 1 9 9 PHE H H 9 8.360 8.360 7.734 0.626 25470 338 1 14 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.093 0.007 25470 339 1 14 . 1 1 10 10 ARG H H 10 8.070 8.070 7.526 0.544 25470 340 1 14 . 1 1 11 11 SER HA H 11 4.470 4.470 4.345 0.125 25470 341 1 14 . 1 1 11 11 SER H H 11 7.940 7.940 7.736 0.204 25470 342 1 14 . 1 1 12 12 MET HA H 12 4.410 4.410 4.350 0.060 25470 343 1 14 . 1 1 12 12 MET H H 12 7.690 7.690 7.331 0.359 25470 344 1 14 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.822 0.088 25470 345 1 14 . 1 1 13 13 PHE H H 13 7.680 7.680 7.389 0.291 25470 346 1 14 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.432 0.228 25470 347 1 14 . 1 1 15 15 SER HA H 15 4.690 4.690 4.429 0.261 25470 348 1 14 . 1 1 15 15 SER H H 15 8.340 8.340 8.681 -0.341 25470 349 1 14 . 1 1 16 16 SER HA H 16 4.670 4.670 4.476 0.194 25470 350 1 14 . 1 1 16 16 SER H H 16 8.380 8.380 7.677 0.703 25470 351 1 15 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.685 0.245 25470 352 1 15 . 1 1 4 4 ASP H H 4 8.290 8.290 8.148 0.142 25470 353 1 15 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.156 0.154 25470 354 1 15 . 1 1 5 5 LEU H H 5 8.480 8.480 8.117 0.363 25470 355 1 15 . 1 1 6 6 ARG HA H 6 4.160 4.160 3.904 0.256 25470 356 1 15 . 1 1 6 6 ARG H H 6 8.220 8.220 7.968 0.252 25470 357 1 15 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.463 0.207 25470 358 1 15 . 1 1 7 7 HIS H H 7 8.010 8.010 8.306 -0.296 25470 359 1 15 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.264 0.086 25470 360 1 15 . 1 1 8 8 ALA H H 8 8.200 8.200 7.630 0.570 25470 361 1 15 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.369 0.141 25470 362 1 15 . 1 1 9 9 PHE H H 9 8.360 8.360 7.805 0.555 25470 363 1 15 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.275 -0.175 25470 364 1 15 . 1 1 10 10 ARG H H 10 8.070 8.070 7.741 0.329 25470 365 1 15 . 1 1 11 11 SER HA H 11 4.470 4.470 4.380 0.090 25470 366 1 15 . 1 1 11 11 SER H H 11 7.940 7.940 7.588 0.352 25470 367 1 15 . 1 1 12 12 MET HA H 12 4.410 4.410 4.364 0.046 25470 368 1 15 . 1 1 12 12 MET H H 12 7.690 7.690 7.624 0.066 25470 369 1 15 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.782 0.128 25470 370 1 15 . 1 1 13 13 PHE H H 13 7.680 7.680 7.686 -0.006 25470 371 1 15 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.341 0.319 25470 372 1 15 . 1 1 15 15 SER HA H 15 4.690 4.690 4.349 0.341 25470 373 1 15 . 1 1 15 15 SER H H 15 8.340 8.340 8.313 0.027 25470 374 1 15 . 1 1 16 16 SER HA H 16 4.670 4.670 4.434 0.236 25470 375 1 15 . 1 1 16 16 SER H H 16 8.380 8.380 7.662 0.718 25470 376 1 16 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.601 0.329 25470 377 1 16 . 1 1 4 4 ASP H H 4 8.290 8.290 8.295 -0.005 25470 378 1 16 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.163 0.147 25470 379 1 16 . 1 1 5 5 LEU H H 5 8.480 8.480 8.149 0.331 25470 380 1 16 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.331 -0.171 25470 381 1 16 . 1 1 6 6 ARG H H 6 8.220 8.220 7.680 0.540 25470 382 1 16 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.497 0.173 25470 383 1 16 . 1 1 7 7 HIS H H 7 8.010 8.010 8.181 -0.171 25470 384 1 16 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.186 0.164 25470 385 1 16 . 1 1 8 8 ALA H H 8 8.200 8.200 7.613 0.587 25470 386 1 16 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.318 0.192 25470 387 1 16 . 1 1 9 9 PHE H H 9 8.360 8.360 7.678 0.682 25470 388 1 16 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.243 -0.143 25470 389 1 16 . 1 1 10 10 ARG H H 10 8.070 8.070 7.594 0.476 25470 390 1 16 . 1 1 11 11 SER HA H 11 4.470 4.470 4.287 0.183 25470 391 1 16 . 1 1 11 11 SER H H 11 7.940 7.940 7.769 0.171 25470 392 1 16 . 1 1 12 12 MET HA H 12 4.410 4.410 4.249 0.161 25470 393 1 16 . 1 1 12 12 MET H H 12 7.690 7.690 7.470 0.220 25470 394 1 16 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.731 0.179 25470 395 1 16 . 1 1 13 13 PHE H H 13 7.680 7.680 7.556 0.124 25470 396 1 16 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.367 0.293 25470 397 1 16 . 1 1 15 15 SER HA H 15 4.690 4.690 4.363 0.327 25470 398 1 16 . 1 1 15 15 SER H H 15 8.340 8.340 8.477 -0.137 25470 399 1 16 . 1 1 16 16 SER HA H 16 4.670 4.670 4.357 0.313 25470 400 1 16 . 1 1 16 16 SER H H 16 8.380 8.380 7.769 0.611 25470 401 1 17 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.237 0.693 25470 402 1 17 . 1 1 4 4 ASP H H 4 8.290 8.290 7.925 0.365 25470 403 1 17 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.172 0.138 25470 404 1 17 . 1 1 5 5 LEU H H 5 8.480 8.480 7.806 0.674 25470 405 1 17 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.465 -0.305 25470 406 1 17 . 1 1 6 6 ARG H H 6 8.220 8.220 7.653 0.567 25470 407 1 17 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.550 0.120 25470 408 1 17 . 1 1 7 7 HIS H H 7 8.010 8.010 8.304 -0.294 25470 409 1 17 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.262 0.088 25470 410 1 17 . 1 1 8 8 ALA H H 8 8.200 8.200 7.613 0.587 25470 411 1 17 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.352 0.158 25470 412 1 17 . 1 1 9 9 PHE H H 9 8.360 8.360 7.676 0.684 25470 413 1 17 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.344 -0.244 25470 414 1 17 . 1 1 10 10 ARG H H 10 8.070 8.070 7.651 0.419 25470 415 1 17 . 1 1 11 11 SER HA H 11 4.470 4.470 4.295 0.175 25470 416 1 17 . 1 1 11 11 SER H H 11 7.940 7.940 7.673 0.268 25470 417 1 17 . 1 1 12 12 MET HA H 12 4.410 4.410 4.386 0.024 25470 418 1 17 . 1 1 12 12 MET H H 12 7.690 7.690 7.935 -0.245 25470 419 1 17 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.839 0.071 25470 420 1 17 . 1 1 13 13 PHE H H 13 7.680 7.680 7.726 -0.046 25470 421 1 17 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.624 0.036 25470 422 1 17 . 1 1 15 15 SER HA H 15 4.690 4.690 4.346 0.344 25470 423 1 17 . 1 1 15 15 SER H H 15 8.340 8.340 8.421 -0.081 25470 424 1 17 . 1 1 16 16 SER HA H 16 4.670 4.670 4.515 0.155 25470 425 1 17 . 1 1 16 16 SER H H 16 8.380 8.380 7.836 0.544 25470 426 1 18 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.583 0.347 25470 427 1 18 . 1 1 4 4 ASP H H 4 8.290 8.290 8.396 -0.106 25470 428 1 18 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.079 0.231 25470 429 1 18 . 1 1 5 5 LEU H H 5 8.480 8.480 7.703 0.777 25470 430 1 18 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.013 0.147 25470 431 1 18 . 1 1 6 6 ARG H H 6 8.220 8.220 7.583 0.637 25470 432 1 18 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.540 0.130 25470 433 1 18 . 1 1 7 7 HIS H H 7 8.010 8.010 8.151 -0.141 25470 434 1 18 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.228 0.122 25470 435 1 18 . 1 1 8 8 ALA H H 8 8.200 8.200 7.603 0.597 25470 436 1 18 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.280 0.230 25470 437 1 18 . 1 1 9 9 PHE H H 9 8.360 8.360 7.600 0.760 25470 438 1 18 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.364 -0.265 25470 439 1 18 . 1 1 10 10 ARG H H 10 8.070 8.070 7.430 0.640 25470 440 1 18 . 1 1 11 11 SER HA H 11 4.470 4.470 4.328 0.142 25470 441 1 18 . 1 1 11 11 SER H H 11 7.940 7.940 7.574 0.366 25470 442 1 18 . 1 1 12 12 MET HA H 12 4.410 4.410 4.200 0.210 25470 443 1 18 . 1 1 12 12 MET H H 12 7.690 7.690 7.217 0.473 25470 444 1 18 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.637 0.273 25470 445 1 18 . 1 1 13 13 PHE H H 13 7.680 7.680 7.210 0.470 25470 446 1 18 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.397 0.263 25470 447 1 18 . 1 1 15 15 SER HA H 15 4.690 4.690 4.270 0.420 25470 448 1 18 . 1 1 15 15 SER H H 15 8.340 8.340 8.148 0.192 25470 449 1 18 . 1 1 16 16 SER HA H 16 4.670 4.670 4.490 0.180 25470 450 1 18 . 1 1 16 16 SER H H 16 8.380 8.380 7.994 0.386 25470 451 1 19 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.132 0.798 25470 452 1 19 . 1 1 4 4 ASP H H 4 8.290 8.290 8.025 0.265 25470 453 1 19 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.056 0.254 25470 454 1 19 . 1 1 5 5 LEU H H 5 8.480 8.480 7.720 0.760 25470 455 1 19 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.082 0.078 25470 456 1 19 . 1 1 6 6 ARG H H 6 8.220 8.220 7.446 0.774 25470 457 1 19 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.516 0.154 25470 458 1 19 . 1 1 7 7 HIS H H 7 8.010 8.010 8.094 -0.084 25470 459 1 19 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.194 0.156 25470 460 1 19 . 1 1 8 8 ALA H H 8 8.200 8.200 7.656 0.544 25470 461 1 19 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.407 0.103 25470 462 1 19 . 1 1 9 9 PHE H H 9 8.360 8.360 7.689 0.671 25470 463 1 19 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.442 -0.342 25470 464 1 19 . 1 1 10 10 ARG H H 10 8.070 8.070 7.615 0.455 25470 465 1 19 . 1 1 11 11 SER HA H 11 4.470 4.470 4.349 0.121 25470 466 1 19 . 1 1 11 11 SER H H 11 7.940 7.940 7.733 0.207 25470 467 1 19 . 1 1 12 12 MET HA H 12 4.410 4.410 4.144 0.266 25470 468 1 19 . 1 1 12 12 MET H H 12 7.690 7.690 7.457 0.233 25470 469 1 19 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.639 0.271 25470 470 1 19 . 1 1 13 13 PHE H H 13 7.680 7.680 7.375 0.305 25470 471 1 19 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.752 -0.092 25470 472 1 19 . 1 1 15 15 SER HA H 15 4.690 4.690 4.344 0.346 25470 473 1 19 . 1 1 15 15 SER H H 15 8.340 8.340 8.295 0.045 25470 474 1 19 . 1 1 16 16 SER HA H 16 4.670 4.670 4.379 0.291 25470 475 1 19 . 1 1 16 16 SER H H 16 8.380 8.380 7.738 0.642 25470 476 1 20 . 1 1 4 4 ASP HA H 4 4.930 4.930 4.595 0.335 25470 477 1 20 . 1 1 4 4 ASP H H 4 8.290 8.290 8.033 0.257 25470 478 1 20 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.120 0.190 25470 479 1 20 . 1 1 5 5 LEU H H 5 8.480 8.480 8.140 0.340 25470 480 1 20 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.365 -0.205 25470 481 1 20 . 1 1 6 6 ARG H H 6 8.220 8.220 7.653 0.567 25470 482 1 20 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.503 0.167 25470 483 1 20 . 1 1 7 7 HIS H H 7 8.010 8.010 8.131 -0.121 25470 484 1 20 . 1 1 8 8 ALA HA H 8 4.350 4.350 3.975 0.375 25470 485 1 20 . 1 1 8 8 ALA H H 8 8.200 8.200 7.459 0.741 25470 486 1 20 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.256 0.254 25470 487 1 20 . 1 1 9 9 PHE H H 9 8.360 8.360 7.524 0.836 25470 488 1 20 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.523 -0.423 25470 489 1 20 . 1 1 10 10 ARG H H 10 8.070 8.070 7.566 0.504 25470 490 1 20 . 1 1 11 11 SER HA H 11 4.470 4.470 4.243 0.227 25470 491 1 20 . 1 1 11 11 SER H H 11 7.940 7.940 7.581 0.359 25470 492 1 20 . 1 1 12 12 MET HA H 12 4.410 4.410 4.216 0.194 25470 493 1 20 . 1 1 12 12 MET H H 12 7.690 7.690 7.274 0.416 25470 494 1 20 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.759 0.151 25470 495 1 20 . 1 1 13 13 PHE H H 13 7.680 7.680 7.466 0.214 25470 496 1 20 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.484 0.176 25470 497 1 20 . 1 1 15 15 SER HA H 15 4.690 4.690 4.356 0.334 25470 498 1 20 . 1 1 15 15 SER H H 15 8.340 8.340 8.248 0.092 25470 499 1 20 . 1 1 16 16 SER HA H 16 4.670 4.670 4.469 0.201 25470 500 1 20 . 1 1 16 16 SER H H 16 8.380 8.380 7.938 0.442 25470 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 25470 2 1 1 "Average Difference" HA 13 0.248 -0.189 0.168 25470 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25470 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25470 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25470 6 1 1 "Average Difference" HN 12 0.442 -0.363 0.262 25470 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25470 8 1 2 "Average Difference" HA 13 0.207 -0.138 0.161 25470 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25470 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25470 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25470 12 1 2 "Average Difference" HN 12 0.477 -0.287 0.397 25470 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25470 14 1 3 "Average Difference" HA 13 0.201 -0.169 0.113 25470 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25470 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25470 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25470 18 1 3 "Average Difference" HN 12 0.428 -0.337 0.275 25470 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25470 20 1 4 "Average Difference" HA 13 0.213 -0.164 0.142 25470 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25470 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25470 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25470 24 1 4 "Average Difference" HN 12 0.482 -0.371 0.321 25470 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25470 26 1 5 "Average Difference" HA 13 0.223 -0.161 0.161 25470 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25470 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25470 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25470 30 1 5 "Average Difference" HN 12 0.493 -0.329 0.383 25470 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25470 32 1 6 "Average Difference" HA 13 0.267 -0.218 0.161 25470 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25470 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25470 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25470 36 1 6 "Average Difference" HN 12 0.451 -0.269 0.378 25470 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25470 38 1 7 "Average Difference" HA 13 0.210 -0.183 0.108 25470 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25470 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25470 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25470 42 1 7 "Average Difference" HN 12 0.445 -0.274 0.366 25470 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25470 44 1 8 "Average Difference" HA 13 0.330 -0.216 0.259 25470 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25470 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25470 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25470 48 1 8 "Average Difference" HN 12 0.475 -0.396 0.274 25470 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25470 50 1 9 "Average Difference" HA 13 0.265 -0.185 0.198 25470 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25470 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25470 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25470 54 1 9 "Average Difference" HN 12 0.409 -0.298 0.293 25470 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25470 56 1 10 "Average Difference" HA 13 0.179 -0.116 0.142 25470 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25470 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25470 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25470 60 1 10 "Average Difference" HN 12 0.444 -0.271 0.368 25470 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25470 62 1 11 "Average Difference" HA 13 0.220 -0.181 0.130 25470 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25470 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25470 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25470 66 1 11 "Average Difference" HN 12 0.458 -0.327 0.335 25470 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25470 68 1 12 "Average Difference" HA 13 0.223 -0.204 0.094 25470 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25470 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25470 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25470 72 1 12 "Average Difference" HN 12 0.443 -0.335 0.302 25470 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25470 74 1 13 "Average Difference" HA 13 0.214 -0.176 0.126 25470 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25470 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25470 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25470 78 1 13 "Average Difference" HN 12 0.500 -0.382 0.337 25470 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25470 80 1 14 "Average Difference" HA 13 0.189 -0.165 0.095 25470 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25470 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25470 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25470 84 1 14 "Average Difference" HN 12 0.495 -0.366 0.348 25470 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25470 86 1 15 "Average Difference" HA 13 0.206 -0.160 0.135 25470 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25470 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25470 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25470 90 1 15 "Average Difference" HN 12 0.375 -0.256 0.286 25470 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25470 92 1 16 "Average Difference" HA 13 0.225 -0.165 0.158 25470 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25470 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25470 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25470 96 1 16 "Average Difference" HN 12 0.403 -0.286 0.297 25470 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25470 98 1 17 "Average Difference" HA 13 0.260 -0.112 0.244 25470 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25470 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25470 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25470 102 1 17 "Average Difference" HN 12 0.449 -0.287 0.361 25470 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25470 104 1 18 "Average Difference" HA 13 0.243 -0.187 0.161 25470 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25470 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25470 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25470 108 1 18 "Average Difference" HN 12 0.512 -0.421 0.305 25470 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25470 110 1 19 "Average Difference" HA 13 0.311 -0.185 0.260 25470 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25470 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25470 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25470 114 1 19 "Average Difference" HN 12 0.484 -0.401 0.283 25470 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25470 116 1 20 "Average Difference" HA 13 0.263 -0.152 0.223 25470 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25470 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25470 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25470 120 1 20 "Average Difference" HN 12 0.463 -0.387 0.265 25470 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 25470 _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 4 4 ASP HA H 4 4.930 4.930 4.498 0.432 25470 2 1 . 1 1 4 4 ASP H H 4 8.290 8.290 8.165 0.125 25470 3 1 . 1 1 5 5 LEU HA H 5 4.310 4.310 4.135 0.175 25470 4 1 . 1 1 5 5 LEU H H 5 8.480 8.480 8.006 0.475 25470 5 1 . 1 1 6 6 ARG HA H 6 4.160 4.160 4.178 -0.018 25470 6 1 . 1 1 6 6 ARG H H 6 8.220 8.220 7.665 0.555 25470 7 1 . 1 1 7 7 HIS HA H 7 4.670 4.670 4.497 0.173 25470 8 1 . 1 1 7 7 HIS H H 7 8.010 8.010 8.164 -0.154 25470 9 1 . 1 1 8 8 ALA HA H 8 4.350 4.350 4.182 0.168 25470 10 1 . 1 1 8 8 ALA H H 8 8.200 8.200 7.572 0.628 25470 11 1 . 1 1 9 9 PHE HA H 9 4.510 4.510 4.313 0.197 25470 12 1 . 1 1 9 9 PHE H H 9 8.360 8.360 7.638 0.722 25470 13 1 . 1 1 10 10 ARG HA H 10 4.100 4.100 4.211 -0.111 25470 14 1 . 1 1 10 10 ARG H H 10 8.070 8.070 7.564 0.506 25470 15 1 . 1 1 11 11 SER HA H 11 4.470 4.470 4.314 0.156 25470 16 1 . 1 1 11 11 SER H H 11 7.940 7.940 7.637 0.303 25470 17 1 . 1 1 12 12 MET HA H 12 4.410 4.410 4.291 0.119 25470 18 1 . 1 1 12 12 MET H H 12 7.690 7.690 7.550 0.140 25470 19 1 . 1 1 13 13 PHE HA H 13 4.910 4.910 4.752 0.158 25470 20 1 . 1 1 13 13 PHE H H 13 7.680 7.680 7.546 0.134 25470 21 1 . 1 1 14 14 PRO HA H 14 4.660 4.660 4.422 0.238 25470 22 1 . 1 1 15 15 SER HA H 15 4.690 4.690 4.375 0.315 25470 23 1 . 1 1 15 15 SER H H 15 8.340 8.340 8.410 -0.070 25470 24 1 . 1 1 16 16 SER HA H 16 4.670 4.670 4.446 0.224 25470 25 1 . 1 1 16 16 SER H H 16 8.380 8.380 7.756 0.624 25470 stop_ save_