data_25478 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25478 _Entry.PDB_ID 2MZA 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 25478 _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 SER HA H 2 4.370 4.370 4.417 -0.047 25478 2 1 1 . 1 1 2 2 SER H H 2 8.720 8.720 8.521 0.199 25478 3 1 1 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.170 0.130 25478 4 1 1 . 1 1 3 3 LYS H H 3 8.100 8.100 8.519 -0.419 25478 5 1 1 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.391 0.289 25478 6 1 1 . 1 1 4 4 ASP H H 4 8.190 8.190 8.392 -0.202 25478 7 1 1 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.263 -0.193 25478 8 1 1 . 1 1 5 5 LEU H H 5 8.290 8.290 7.490 0.800 25478 9 1 1 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.009 -0.089 25478 10 1 1 . 1 1 6 6 ARG H H 6 7.990 7.990 7.750 0.240 25478 11 1 1 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.537 -0.087 25478 12 1 1 . 1 1 7 7 HIS H H 7 7.720 7.720 7.669 0.051 25478 13 1 1 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.257 -0.077 25478 14 1 1 . 1 1 8 8 ALA H H 8 8.040 8.040 7.985 0.055 25478 15 1 1 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.294 0.016 25478 16 1 1 . 1 1 9 9 PHE H H 9 8.170 8.170 7.487 0.682 25478 17 1 1 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.585 0.125 25478 18 1 1 . 1 1 13 13 PHE H H 13 7.630 7.630 7.447 0.183 25478 19 1 1 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.347 0.103 25478 20 1 1 . 1 1 15 15 SER HA H 15 4.430 4.430 4.335 0.095 25478 21 1 1 . 1 1 15 15 SER H H 15 8.240 8.240 8.377 -0.137 25478 22 1 1 . 1 1 16 16 SER HA H 16 4.400 4.400 4.319 0.081 25478 23 1 1 . 1 1 16 16 SER H H 16 8.160 8.160 7.806 0.354 25478 24 1 2 . 1 1 2 2 SER HA H 2 4.370 4.370 4.367 0.003 25478 25 1 2 . 1 1 2 2 SER H H 2 8.720 8.720 8.353 0.367 25478 26 1 2 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.158 0.142 25478 27 1 2 . 1 1 3 3 LYS H H 3 8.100 8.100 8.262 -0.162 25478 28 1 2 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.531 0.149 25478 29 1 2 . 1 1 4 4 ASP H H 4 8.190 8.190 8.406 -0.216 25478 30 1 2 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.223 -0.153 25478 31 1 2 . 1 1 5 5 LEU H H 5 8.290 8.290 7.523 0.767 25478 32 1 2 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.919 0.001 25478 33 1 2 . 1 1 6 6 ARG H H 6 7.990 7.990 7.534 0.456 25478 34 1 2 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.521 -0.071 25478 35 1 2 . 1 1 7 7 HIS H H 7 7.720 7.720 7.716 0.004 25478 36 1 2 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.256 -0.076 25478 37 1 2 . 1 1 8 8 ALA H H 8 8.040 8.040 7.994 0.046 25478 38 1 2 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.306 0.004 25478 39 1 2 . 1 1 9 9 PHE H H 9 8.170 8.170 7.509 0.661 25478 40 1 2 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.568 0.142 25478 41 1 2 . 1 1 13 13 PHE H H 13 7.630 7.630 7.797 -0.167 25478 42 1 2 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.336 0.114 25478 43 1 2 . 1 1 15 15 SER HA H 15 4.430 4.430 4.379 0.051 25478 44 1 2 . 1 1 15 15 SER H H 15 8.240 8.240 8.341 -0.101 25478 45 1 2 . 1 1 16 16 SER HA H 16 4.400 4.400 4.331 0.069 25478 46 1 2 . 1 1 16 16 SER H H 16 8.160 8.160 7.746 0.414 25478 47 1 3 . 1 1 2 2 SER HA H 2 4.370 4.370 4.345 0.025 25478 48 1 3 . 1 1 2 2 SER H H 2 8.720 8.720 8.668 0.052 25478 49 1 3 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.169 0.131 25478 50 1 3 . 1 1 3 3 LYS H H 3 8.100 8.100 8.211 -0.111 25478 51 1 3 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.489 0.191 25478 52 1 3 . 1 1 4 4 ASP H H 4 8.190 8.190 8.272 -0.082 25478 53 1 3 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.182 -0.112 25478 54 1 3 . 1 1 5 5 LEU H H 5 8.290 8.290 7.466 0.824 25478 55 1 3 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.153 -0.233 25478 56 1 3 . 1 1 6 6 ARG H H 6 7.990 7.990 7.754 0.236 25478 57 1 3 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.488 -0.038 25478 58 1 3 . 1 1 7 7 HIS H H 7 7.720 7.720 7.879 -0.159 25478 59 1 3 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.215 -0.035 25478 60 1 3 . 1 1 8 8 ALA H H 8 8.040 8.040 8.052 -0.012 25478 61 1 3 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.291 0.019 25478 62 1 3 . 1 1 9 9 PHE H H 9 8.170 8.170 7.478 0.692 25478 63 1 3 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.686 0.024 25478 64 1 3 . 1 1 13 13 PHE H H 13 7.630 7.630 8.011 -0.381 25478 65 1 3 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.430 0.020 25478 66 1 3 . 1 1 15 15 SER HA H 15 4.430 4.430 4.318 0.112 25478 67 1 3 . 1 1 15 15 SER H H 15 8.240 8.240 8.460 -0.220 25478 68 1 3 . 1 1 16 16 SER HA H 16 4.400 4.400 4.319 0.081 25478 69 1 3 . 1 1 16 16 SER H H 16 8.160 8.160 7.887 0.273 25478 70 1 4 . 1 1 2 2 SER HA H 2 4.370 4.370 4.537 -0.167 25478 71 1 4 . 1 1 2 2 SER H H 2 8.720 8.720 8.566 0.154 25478 72 1 4 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.267 0.033 25478 73 1 4 . 1 1 3 3 LYS H H 3 8.100 8.100 8.174 -0.074 25478 74 1 4 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.606 0.074 25478 75 1 4 . 1 1 4 4 ASP H H 4 8.190 8.190 8.461 -0.271 25478 76 1 4 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.259 -0.189 25478 77 1 4 . 1 1 5 5 LEU H H 5 8.290 8.290 7.602 0.688 25478 78 1 4 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.135 -0.215 25478 79 1 4 . 1 1 6 6 ARG H H 6 7.990 7.990 7.878 0.112 25478 80 1 4 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.508 -0.058 25478 81 1 4 . 1 1 7 7 HIS H H 7 7.720 7.720 7.827 -0.107 25478 82 1 4 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.240 -0.060 25478 83 1 4 . 1 1 8 8 ALA H H 8 8.040 8.040 8.108 -0.068 25478 84 1 4 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.326 -0.016 25478 85 1 4 . 1 1 9 9 PHE H H 9 8.170 8.170 7.568 0.602 25478 86 1 4 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.734 -0.024 25478 87 1 4 . 1 1 13 13 PHE H H 13 7.630 7.630 8.041 -0.411 25478 88 1 4 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.345 0.105 25478 89 1 4 . 1 1 15 15 SER HA H 15 4.430 4.430 4.354 0.076 25478 90 1 4 . 1 1 15 15 SER H H 15 8.240 8.240 8.689 -0.449 25478 91 1 4 . 1 1 16 16 SER HA H 16 4.400 4.400 4.379 0.021 25478 92 1 4 . 1 1 16 16 SER H H 16 8.160 8.160 7.849 0.311 25478 93 1 5 . 1 1 2 2 SER HA H 2 4.370 4.370 4.462 -0.092 25478 94 1 5 . 1 1 2 2 SER H H 2 8.720 8.720 8.536 0.184 25478 95 1 5 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.230 0.070 25478 96 1 5 . 1 1 3 3 LYS H H 3 8.100 8.100 8.267 -0.167 25478 97 1 5 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.570 0.110 25478 98 1 5 . 1 1 4 4 ASP H H 4 8.190 8.190 8.321 -0.131 25478 99 1 5 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.232 -0.162 25478 100 1 5 . 1 1 5 5 LEU H H 5 8.290 8.290 7.582 0.708 25478 101 1 5 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.130 -0.210 25478 102 1 5 . 1 1 6 6 ARG H H 6 7.990 7.990 7.614 0.376 25478 103 1 5 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.515 -0.065 25478 104 1 5 . 1 1 7 7 HIS H H 7 7.720 7.720 7.756 -0.036 25478 105 1 5 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.249 -0.069 25478 106 1 5 . 1 1 8 8 ALA H H 8 8.040 8.040 7.962 0.078 25478 107 1 5 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.295 0.015 25478 108 1 5 . 1 1 9 9 PHE H H 9 8.170 8.170 7.451 0.719 25478 109 1 5 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.706 0.004 25478 110 1 5 . 1 1 13 13 PHE H H 13 7.630 7.630 7.599 0.031 25478 111 1 5 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.393 0.057 25478 112 1 5 . 1 1 15 15 SER HA H 15 4.430 4.430 4.397 0.033 25478 113 1 5 . 1 1 15 15 SER H H 15 8.240 8.240 8.335 -0.095 25478 114 1 5 . 1 1 16 16 SER HA H 16 4.400 4.400 4.387 0.013 25478 115 1 5 . 1 1 16 16 SER H H 16 8.160 8.160 7.859 0.301 25478 116 1 6 . 1 1 2 2 SER HA H 2 4.370 4.370 4.388 -0.018 25478 117 1 6 . 1 1 2 2 SER H H 2 8.720 8.720 8.658 0.062 25478 118 1 6 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.209 0.091 25478 119 1 6 . 1 1 3 3 LYS H H 3 8.100 8.100 8.457 -0.357 25478 120 1 6 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.563 0.117 25478 121 1 6 . 1 1 4 4 ASP H H 4 8.190 8.190 8.244 -0.054 25478 122 1 6 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.232 -0.162 25478 123 1 6 . 1 1 5 5 LEU H H 5 8.290 8.290 7.504 0.786 25478 124 1 6 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.080 -0.160 25478 125 1 6 . 1 1 6 6 ARG H H 6 7.990 7.990 7.729 0.261 25478 126 1 6 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.494 -0.044 25478 127 1 6 . 1 1 7 7 HIS H H 7 7.720 7.720 7.710 0.010 25478 128 1 6 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.190 -0.010 25478 129 1 6 . 1 1 8 8 ALA H H 8 8.040 8.040 8.025 0.015 25478 130 1 6 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.265 0.045 25478 131 1 6 . 1 1 9 9 PHE H H 9 8.170 8.170 7.477 0.693 25478 132 1 6 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.746 -0.036 25478 133 1 6 . 1 1 13 13 PHE H H 13 7.630 7.630 7.946 -0.316 25478 134 1 6 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.374 0.076 25478 135 1 6 . 1 1 15 15 SER HA H 15 4.430 4.430 4.331 0.099 25478 136 1 6 . 1 1 15 15 SER H H 15 8.240 8.240 8.569 -0.329 25478 137 1 6 . 1 1 16 16 SER HA H 16 4.400 4.400 4.325 0.075 25478 138 1 6 . 1 1 16 16 SER H H 16 8.160 8.160 7.844 0.316 25478 139 1 7 . 1 1 2 2 SER HA H 2 4.370 4.370 4.340 0.030 25478 140 1 7 . 1 1 2 2 SER H H 2 8.720 8.720 8.594 0.126 25478 141 1 7 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.283 0.017 25478 142 1 7 . 1 1 3 3 LYS H H 3 8.100 8.100 8.305 -0.205 25478 143 1 7 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.490 0.190 25478 144 1 7 . 1 1 4 4 ASP H H 4 8.190 8.190 8.422 -0.232 25478 145 1 7 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.239 -0.169 25478 146 1 7 . 1 1 5 5 LEU H H 5 8.290 8.290 7.539 0.751 25478 147 1 7 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.007 -0.087 25478 148 1 7 . 1 1 6 6 ARG H H 6 7.990 7.990 7.707 0.283 25478 149 1 7 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.504 -0.054 25478 150 1 7 . 1 1 7 7 HIS H H 7 7.720 7.720 7.803 -0.083 25478 151 1 7 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.205 -0.025 25478 152 1 7 . 1 1 8 8 ALA H H 8 8.040 8.040 7.999 0.041 25478 153 1 7 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.225 0.085 25478 154 1 7 . 1 1 9 9 PHE H H 9 8.170 8.170 7.390 0.780 25478 155 1 7 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.617 0.093 25478 156 1 7 . 1 1 13 13 PHE H H 13 7.630 7.630 7.495 0.135 25478 157 1 7 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.351 0.099 25478 158 1 7 . 1 1 15 15 SER HA H 15 4.430 4.430 4.327 0.103 25478 159 1 7 . 1 1 15 15 SER H H 15 8.240 8.240 8.505 -0.265 25478 160 1 7 . 1 1 16 16 SER HA H 16 4.400 4.400 4.413 -0.013 25478 161 1 7 . 1 1 16 16 SER H H 16 8.160 8.160 7.761 0.399 25478 162 1 8 . 1 1 2 2 SER HA H 2 4.370 4.370 4.335 0.035 25478 163 1 8 . 1 1 2 2 SER H H 2 8.720 8.720 8.653 0.067 25478 164 1 8 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.223 0.077 25478 165 1 8 . 1 1 3 3 LYS H H 3 8.100 8.100 8.222 -0.122 25478 166 1 8 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.493 0.187 25478 167 1 8 . 1 1 4 4 ASP H H 4 8.190 8.190 8.283 -0.093 25478 168 1 8 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.222 -0.152 25478 169 1 8 . 1 1 5 5 LEU H H 5 8.290 8.290 7.372 0.918 25478 170 1 8 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.117 -0.197 25478 171 1 8 . 1 1 6 6 ARG H H 6 7.990 7.990 7.715 0.275 25478 172 1 8 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.492 -0.042 25478 173 1 8 . 1 1 7 7 HIS H H 7 7.720 7.720 7.774 -0.054 25478 174 1 8 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.231 -0.051 25478 175 1 8 . 1 1 8 8 ALA H H 8 8.040 8.040 7.975 0.065 25478 176 1 8 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.318 -0.008 25478 177 1 8 . 1 1 9 9 PHE H H 9 8.170 8.170 7.431 0.739 25478 178 1 8 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.659 0.051 25478 179 1 8 . 1 1 13 13 PHE H H 13 7.630 7.630 7.587 0.043 25478 180 1 8 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.419 0.031 25478 181 1 8 . 1 1 15 15 SER HA H 15 4.430 4.430 4.423 0.007 25478 182 1 8 . 1 1 15 15 SER H H 15 8.240 8.240 8.425 -0.185 25478 183 1 8 . 1 1 16 16 SER HA H 16 4.400 4.400 4.358 0.042 25478 184 1 8 . 1 1 16 16 SER H H 16 8.160 8.160 7.807 0.353 25478 185 1 9 . 1 1 2 2 SER HA H 2 4.370 4.370 4.519 -0.149 25478 186 1 9 . 1 1 2 2 SER H H 2 8.720 8.720 8.650 0.070 25478 187 1 9 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.302 -0.002 25478 188 1 9 . 1 1 3 3 LYS H H 3 8.100 8.100 8.146 -0.046 25478 189 1 9 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.506 0.174 25478 190 1 9 . 1 1 4 4 ASP H H 4 8.190 8.190 8.456 -0.266 25478 191 1 9 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.228 -0.158 25478 192 1 9 . 1 1 5 5 LEU H H 5 8.290 8.290 7.645 0.645 25478 193 1 9 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.018 -0.098 25478 194 1 9 . 1 1 6 6 ARG H H 6 7.990 7.990 7.908 0.082 25478 195 1 9 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.505 -0.055 25478 196 1 9 . 1 1 7 7 HIS H H 7 7.720 7.720 7.808 -0.088 25478 197 1 9 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.248 -0.068 25478 198 1 9 . 1 1 8 8 ALA H H 8 8.040 8.040 8.025 0.015 25478 199 1 9 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.300 0.010 25478 200 1 9 . 1 1 9 9 PHE H H 9 8.170 8.170 7.440 0.730 25478 201 1 9 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.666 0.044 25478 202 1 9 . 1 1 13 13 PHE H H 13 7.630 7.630 7.893 -0.263 25478 203 1 9 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.392 0.058 25478 204 1 9 . 1 1 15 15 SER HA H 15 4.430 4.430 4.414 0.016 25478 205 1 9 . 1 1 15 15 SER H H 15 8.240 8.240 8.437 -0.197 25478 206 1 9 . 1 1 16 16 SER HA H 16 4.400 4.400 4.313 0.087 25478 207 1 9 . 1 1 16 16 SER H H 16 8.160 8.160 7.952 0.208 25478 208 1 10 . 1 1 2 2 SER HA H 2 4.370 4.370 4.362 0.008 25478 209 1 10 . 1 1 2 2 SER H H 2 8.720 8.720 8.467 0.253 25478 210 1 10 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.254 0.046 25478 211 1 10 . 1 1 3 3 LYS H H 3 8.100 8.100 8.321 -0.221 25478 212 1 10 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.577 0.103 25478 213 1 10 . 1 1 4 4 ASP H H 4 8.190 8.190 8.454 -0.264 25478 214 1 10 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.248 -0.178 25478 215 1 10 . 1 1 5 5 LEU H H 5 8.290 8.290 7.605 0.685 25478 216 1 10 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.108 -0.188 25478 217 1 10 . 1 1 6 6 ARG H H 6 7.990 7.990 7.698 0.292 25478 218 1 10 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.515 -0.065 25478 219 1 10 . 1 1 7 7 HIS H H 7 7.720 7.720 7.856 -0.136 25478 220 1 10 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.251 -0.071 25478 221 1 10 . 1 1 8 8 ALA H H 8 8.040 8.040 7.994 0.046 25478 222 1 10 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.281 0.029 25478 223 1 10 . 1 1 9 9 PHE H H 9 8.170 8.170 7.459 0.711 25478 224 1 10 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.694 0.016 25478 225 1 10 . 1 1 13 13 PHE H H 13 7.630 7.630 7.606 0.024 25478 226 1 10 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.385 0.065 25478 227 1 10 . 1 1 15 15 SER HA H 15 4.430 4.430 4.409 0.021 25478 228 1 10 . 1 1 15 15 SER H H 15 8.240 8.240 8.809 -0.569 25478 229 1 10 . 1 1 16 16 SER HA H 16 4.400 4.400 4.420 -0.020 25478 230 1 10 . 1 1 16 16 SER H H 16 8.160 8.160 7.911 0.249 25478 231 1 11 . 1 1 2 2 SER HA H 2 4.370 4.370 4.355 0.015 25478 232 1 11 . 1 1 2 2 SER H H 2 8.720 8.720 8.550 0.170 25478 233 1 11 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.162 0.138 25478 234 1 11 . 1 1 3 3 LYS H H 3 8.100 8.100 8.410 -0.310 25478 235 1 11 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.474 0.206 25478 236 1 11 . 1 1 4 4 ASP H H 4 8.190 8.190 8.197 -0.007 25478 237 1 11 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.267 -0.197 25478 238 1 11 . 1 1 5 5 LEU H H 5 8.290 8.290 7.509 0.781 25478 239 1 11 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.961 -0.041 25478 240 1 11 . 1 1 6 6 ARG H H 6 7.990 7.990 7.778 0.212 25478 241 1 11 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.496 -0.046 25478 242 1 11 . 1 1 7 7 HIS H H 7 7.720 7.720 7.852 -0.132 25478 243 1 11 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.251 -0.071 25478 244 1 11 . 1 1 8 8 ALA H H 8 8.040 8.040 8.115 -0.075 25478 245 1 11 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.266 0.044 25478 246 1 11 . 1 1 9 9 PHE H H 9 8.170 8.170 7.636 0.534 25478 247 1 11 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.694 0.016 25478 248 1 11 . 1 1 13 13 PHE H H 13 7.630 7.630 7.546 0.084 25478 249 1 11 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.344 0.106 25478 250 1 11 . 1 1 15 15 SER HA H 15 4.430 4.430 4.341 0.089 25478 251 1 11 . 1 1 15 15 SER H H 15 8.240 8.240 8.651 -0.411 25478 252 1 11 . 1 1 16 16 SER HA H 16 4.400 4.400 4.498 -0.098 25478 253 1 11 . 1 1 16 16 SER H H 16 8.160 8.160 7.826 0.334 25478 254 1 12 . 1 1 2 2 SER HA H 2 4.370 4.370 4.373 -0.003 25478 255 1 12 . 1 1 2 2 SER H H 2 8.720 8.720 8.557 0.163 25478 256 1 12 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.207 0.093 25478 257 1 12 . 1 1 3 3 LYS H H 3 8.100 8.100 8.323 -0.223 25478 258 1 12 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.567 0.113 25478 259 1 12 . 1 1 4 4 ASP H H 4 8.190 8.190 8.314 -0.124 25478 260 1 12 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.225 -0.155 25478 261 1 12 . 1 1 5 5 LEU H H 5 8.290 8.290 7.520 0.770 25478 262 1 12 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.050 -0.130 25478 263 1 12 . 1 1 6 6 ARG H H 6 7.990 7.990 7.806 0.184 25478 264 1 12 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.505 -0.055 25478 265 1 12 . 1 1 7 7 HIS H H 7 7.720 7.720 7.863 -0.143 25478 266 1 12 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.201 -0.021 25478 267 1 12 . 1 1 8 8 ALA H H 8 8.040 8.040 8.113 -0.073 25478 268 1 12 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.266 0.044 25478 269 1 12 . 1 1 9 9 PHE H H 9 8.170 8.170 7.440 0.730 25478 270 1 12 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.680 0.030 25478 271 1 12 . 1 1 13 13 PHE H H 13 7.630 7.630 8.009 -0.379 25478 272 1 12 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.359 0.091 25478 273 1 12 . 1 1 15 15 SER HA H 15 4.430 4.430 4.321 0.109 25478 274 1 12 . 1 1 15 15 SER H H 15 8.240 8.240 8.543 -0.303 25478 275 1 12 . 1 1 16 16 SER HA H 16 4.400 4.400 4.510 -0.110 25478 276 1 12 . 1 1 16 16 SER H H 16 8.160 8.160 7.766 0.394 25478 277 1 13 . 1 1 2 2 SER HA H 2 4.370 4.370 4.497 -0.127 25478 278 1 13 . 1 1 2 2 SER H H 2 8.720 8.720 8.530 0.190 25478 279 1 13 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.163 0.137 25478 280 1 13 . 1 1 3 3 LYS H H 3 8.100 8.100 8.178 -0.078 25478 281 1 13 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.529 0.151 25478 282 1 13 . 1 1 4 4 ASP H H 4 8.190 8.190 8.216 -0.026 25478 283 1 13 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.268 -0.198 25478 284 1 13 . 1 1 5 5 LEU H H 5 8.290 8.290 7.528 0.762 25478 285 1 13 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.919 0.001 25478 286 1 13 . 1 1 6 6 ARG H H 6 7.990 7.990 7.682 0.308 25478 287 1 13 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.491 -0.041 25478 288 1 13 . 1 1 7 7 HIS H H 7 7.720 7.720 7.819 -0.099 25478 289 1 13 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.253 -0.073 25478 290 1 13 . 1 1 8 8 ALA H H 8 8.040 8.040 8.021 0.019 25478 291 1 13 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.309 0.001 25478 292 1 13 . 1 1 9 9 PHE H H 9 8.170 8.170 7.510 0.660 25478 293 1 13 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.658 0.052 25478 294 1 13 . 1 1 13 13 PHE H H 13 7.630 7.630 7.891 -0.261 25478 295 1 13 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.349 0.101 25478 296 1 13 . 1 1 15 15 SER HA H 15 4.430 4.430 4.359 0.071 25478 297 1 13 . 1 1 15 15 SER H H 15 8.240 8.240 8.219 0.021 25478 298 1 13 . 1 1 16 16 SER HA H 16 4.400 4.400 4.406 -0.006 25478 299 1 13 . 1 1 16 16 SER H H 16 8.160 8.160 7.718 0.442 25478 300 1 14 . 1 1 2 2 SER HA H 2 4.370 4.370 4.269 0.101 25478 301 1 14 . 1 1 2 2 SER H H 2 8.720 8.720 8.442 0.278 25478 302 1 14 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.218 0.082 25478 303 1 14 . 1 1 3 3 LYS H H 3 8.100 8.100 8.317 -0.217 25478 304 1 14 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.538 0.142 25478 305 1 14 . 1 1 4 4 ASP H H 4 8.190 8.190 8.206 -0.016 25478 306 1 14 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.203 -0.133 25478 307 1 14 . 1 1 5 5 LEU H H 5 8.290 8.290 7.531 0.759 25478 308 1 14 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.133 -0.213 25478 309 1 14 . 1 1 6 6 ARG H H 6 7.990 7.990 7.779 0.211 25478 310 1 14 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.497 -0.047 25478 311 1 14 . 1 1 7 7 HIS H H 7 7.720 7.720 7.797 -0.077 25478 312 1 14 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.048 0.132 25478 313 1 14 . 1 1 8 8 ALA H H 8 8.040 8.040 7.996 0.044 25478 314 1 14 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.241 0.069 25478 315 1 14 . 1 1 9 9 PHE H H 9 8.170 8.170 7.432 0.738 25478 316 1 14 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.709 0.001 25478 317 1 14 . 1 1 13 13 PHE H H 13 7.630 7.630 7.580 0.050 25478 318 1 14 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.325 0.125 25478 319 1 14 . 1 1 15 15 SER HA H 15 4.430 4.430 4.330 0.100 25478 320 1 14 . 1 1 15 15 SER H H 15 8.240 8.240 8.442 -0.202 25478 321 1 14 . 1 1 16 16 SER HA H 16 4.400 4.400 4.424 -0.024 25478 322 1 14 . 1 1 16 16 SER H H 16 8.160 8.160 7.760 0.400 25478 323 1 15 . 1 1 2 2 SER HA H 2 4.370 4.370 4.339 0.031 25478 324 1 15 . 1 1 2 2 SER H H 2 8.720 8.720 8.452 0.268 25478 325 1 15 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.246 0.054 25478 326 1 15 . 1 1 3 3 LYS H H 3 8.100 8.100 8.345 -0.245 25478 327 1 15 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.549 0.131 25478 328 1 15 . 1 1 4 4 ASP H H 4 8.190 8.190 8.472 -0.282 25478 329 1 15 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.254 -0.184 25478 330 1 15 . 1 1 5 5 LEU H H 5 8.290 8.290 7.562 0.728 25478 331 1 15 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.906 0.014 25478 332 1 15 . 1 1 6 6 ARG H H 6 7.990 7.990 7.610 0.380 25478 333 1 15 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.488 -0.038 25478 334 1 15 . 1 1 7 7 HIS H H 7 7.720 7.720 7.893 -0.173 25478 335 1 15 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.272 -0.092 25478 336 1 15 . 1 1 8 8 ALA H H 8 8.040 8.040 8.026 0.014 25478 337 1 15 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.328 -0.018 25478 338 1 15 . 1 1 9 9 PHE H H 9 8.170 8.170 7.445 0.725 25478 339 1 15 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.573 0.137 25478 340 1 15 . 1 1 13 13 PHE H H 13 7.630 7.630 7.485 0.145 25478 341 1 15 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.356 0.094 25478 342 1 15 . 1 1 15 15 SER HA H 15 4.430 4.430 4.412 0.018 25478 343 1 15 . 1 1 15 15 SER H H 15 8.240 8.240 8.492 -0.252 25478 344 1 15 . 1 1 16 16 SER HA H 16 4.400 4.400 4.423 -0.023 25478 345 1 15 . 1 1 16 16 SER H H 16 8.160 8.160 7.804 0.356 25478 346 1 16 . 1 1 2 2 SER HA H 2 4.370 4.370 4.442 -0.072 25478 347 1 16 . 1 1 2 2 SER H H 2 8.720 8.720 8.545 0.175 25478 348 1 16 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.190 0.110 25478 349 1 16 . 1 1 3 3 LYS H H 3 8.100 8.100 8.297 -0.197 25478 350 1 16 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.527 0.153 25478 351 1 16 . 1 1 4 4 ASP H H 4 8.190 8.190 8.463 -0.273 25478 352 1 16 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.249 -0.179 25478 353 1 16 . 1 1 5 5 LEU H H 5 8.290 8.290 7.725 0.565 25478 354 1 16 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.112 -0.192 25478 355 1 16 . 1 1 6 6 ARG H H 6 7.990 7.990 7.782 0.208 25478 356 1 16 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.493 -0.043 25478 357 1 16 . 1 1 7 7 HIS H H 7 7.720 7.720 7.872 -0.152 25478 358 1 16 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.231 -0.051 25478 359 1 16 . 1 1 8 8 ALA H H 8 8.040 8.040 8.066 -0.026 25478 360 1 16 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.325 -0.015 25478 361 1 16 . 1 1 9 9 PHE H H 9 8.170 8.170 7.521 0.649 25478 362 1 16 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.672 0.038 25478 363 1 16 . 1 1 13 13 PHE H H 13 7.630 7.630 7.562 0.068 25478 364 1 16 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.383 0.067 25478 365 1 16 . 1 1 15 15 SER HA H 15 4.430 4.430 4.403 0.027 25478 366 1 16 . 1 1 15 15 SER H H 15 8.240 8.240 8.595 -0.355 25478 367 1 16 . 1 1 16 16 SER HA H 16 4.400 4.400 4.467 -0.067 25478 368 1 16 . 1 1 16 16 SER H H 16 8.160 8.160 7.806 0.354 25478 369 1 17 . 1 1 2 2 SER HA H 2 4.370 4.370 4.412 -0.042 25478 370 1 17 . 1 1 2 2 SER H H 2 8.720 8.720 8.532 0.188 25478 371 1 17 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.282 0.018 25478 372 1 17 . 1 1 3 3 LYS H H 3 8.100 8.100 8.196 -0.096 25478 373 1 17 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.487 0.193 25478 374 1 17 . 1 1 4 4 ASP H H 4 8.190 8.190 8.297 -0.107 25478 375 1 17 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.211 -0.141 25478 376 1 17 . 1 1 5 5 LEU H H 5 8.290 8.290 7.613 0.677 25478 377 1 17 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.280 -0.360 25478 378 1 17 . 1 1 6 6 ARG H H 6 7.990 7.990 7.802 0.188 25478 379 1 17 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.510 -0.060 25478 380 1 17 . 1 1 7 7 HIS H H 7 7.720 7.720 7.880 -0.160 25478 381 1 17 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.149 0.031 25478 382 1 17 . 1 1 8 8 ALA H H 8 8.040 8.040 8.047 -0.007 25478 383 1 17 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.319 -0.009 25478 384 1 17 . 1 1 9 9 PHE H H 9 8.170 8.170 7.352 0.818 25478 385 1 17 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.673 0.037 25478 386 1 17 . 1 1 13 13 PHE H H 13 7.630 7.630 8.011 -0.381 25478 387 1 17 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.366 0.084 25478 388 1 17 . 1 1 15 15 SER HA H 15 4.430 4.430 4.253 0.177 25478 389 1 17 . 1 1 15 15 SER H H 15 8.240 8.240 8.389 -0.149 25478 390 1 17 . 1 1 16 16 SER HA H 16 4.400 4.400 4.489 -0.089 25478 391 1 17 . 1 1 16 16 SER H H 16 8.160 8.160 7.858 0.302 25478 392 1 18 . 1 1 2 2 SER HA H 2 4.370 4.370 4.370 0.000 25478 393 1 18 . 1 1 2 2 SER H H 2 8.720 8.720 8.505 0.215 25478 394 1 18 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.162 0.138 25478 395 1 18 . 1 1 3 3 LYS H H 3 8.100 8.100 8.205 -0.105 25478 396 1 18 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.498 0.182 25478 397 1 18 . 1 1 4 4 ASP H H 4 8.190 8.190 8.071 0.119 25478 398 1 18 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.243 -0.173 25478 399 1 18 . 1 1 5 5 LEU H H 5 8.290 8.290 7.515 0.775 25478 400 1 18 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.964 -0.044 25478 401 1 18 . 1 1 6 6 ARG H H 6 7.990 7.990 7.589 0.401 25478 402 1 18 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.510 -0.060 25478 403 1 18 . 1 1 7 7 HIS H H 7 7.720 7.720 7.775 -0.055 25478 404 1 18 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.239 -0.059 25478 405 1 18 . 1 1 8 8 ALA H H 8 8.040 8.040 7.988 0.052 25478 406 1 18 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.324 -0.014 25478 407 1 18 . 1 1 9 9 PHE H H 9 8.170 8.170 7.490 0.680 25478 408 1 18 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.655 0.055 25478 409 1 18 . 1 1 13 13 PHE H H 13 7.630 7.630 7.845 -0.215 25478 410 1 18 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.385 0.065 25478 411 1 18 . 1 1 15 15 SER HA H 15 4.430 4.430 4.306 0.124 25478 412 1 18 . 1 1 15 15 SER H H 15 8.240 8.240 8.446 -0.206 25478 413 1 18 . 1 1 16 16 SER HA H 16 4.400 4.400 4.387 0.013 25478 414 1 18 . 1 1 16 16 SER H H 16 8.160 8.160 7.920 0.240 25478 415 1 19 . 1 1 2 2 SER HA H 2 4.370 4.370 4.474 -0.104 25478 416 1 19 . 1 1 2 2 SER H H 2 8.720 8.720 8.596 0.124 25478 417 1 19 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.111 0.190 25478 418 1 19 . 1 1 3 3 LYS H H 3 8.100 8.100 8.272 -0.172 25478 419 1 19 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.653 0.027 25478 420 1 19 . 1 1 4 4 ASP H H 4 8.190 8.190 8.381 -0.191 25478 421 1 19 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.217 -0.147 25478 422 1 19 . 1 1 5 5 LEU H H 5 8.290 8.290 7.574 0.716 25478 423 1 19 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.885 0.035 25478 424 1 19 . 1 1 6 6 ARG H H 6 7.990 7.990 7.834 0.156 25478 425 1 19 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.501 -0.051 25478 426 1 19 . 1 1 7 7 HIS H H 7 7.720 7.720 7.552 0.168 25478 427 1 19 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.259 -0.079 25478 428 1 19 . 1 1 8 8 ALA H H 8 8.040 8.040 8.044 -0.004 25478 429 1 19 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.290 0.020 25478 430 1 19 . 1 1 9 9 PHE H H 9 8.170 8.170 7.517 0.653 25478 431 1 19 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.795 -0.085 25478 432 1 19 . 1 1 13 13 PHE H H 13 7.630 7.630 7.815 -0.185 25478 433 1 19 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.359 0.091 25478 434 1 19 . 1 1 15 15 SER HA H 15 4.430 4.430 4.397 0.033 25478 435 1 19 . 1 1 15 15 SER H H 15 8.240 8.240 8.585 -0.345 25478 436 1 19 . 1 1 16 16 SER HA H 16 4.400 4.400 4.504 -0.104 25478 437 1 19 . 1 1 16 16 SER H H 16 8.160 8.160 7.961 0.199 25478 438 1 20 . 1 1 2 2 SER HA H 2 4.370 4.370 4.303 0.067 25478 439 1 20 . 1 1 2 2 SER H H 2 8.720 8.720 8.610 0.110 25478 440 1 20 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.236 0.064 25478 441 1 20 . 1 1 3 3 LYS H H 3 8.100 8.100 8.174 -0.074 25478 442 1 20 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.551 0.129 25478 443 1 20 . 1 1 4 4 ASP H H 4 8.190 8.190 8.165 0.025 25478 444 1 20 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.305 -0.235 25478 445 1 20 . 1 1 5 5 LEU H H 5 8.290 8.290 7.529 0.761 25478 446 1 20 . 1 1 6 6 ARG HA H 6 3.920 3.920 3.736 0.184 25478 447 1 20 . 1 1 6 6 ARG H H 6 7.990 7.990 7.783 0.207 25478 448 1 20 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.487 -0.037 25478 449 1 20 . 1 1 7 7 HIS H H 7 7.720 7.720 7.766 -0.046 25478 450 1 20 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.258 -0.078 25478 451 1 20 . 1 1 8 8 ALA H H 8 8.040 8.040 8.046 -0.006 25478 452 1 20 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.275 0.035 25478 453 1 20 . 1 1 9 9 PHE H H 9 8.170 8.170 7.610 0.560 25478 454 1 20 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.636 0.074 25478 455 1 20 . 1 1 13 13 PHE H H 13 7.630 7.630 7.564 0.066 25478 456 1 20 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.358 0.092 25478 457 1 20 . 1 1 15 15 SER HA H 15 4.430 4.430 4.376 0.054 25478 458 1 20 . 1 1 15 15 SER H H 15 8.240 8.240 8.418 -0.178 25478 459 1 20 . 1 1 16 16 SER HA H 16 4.400 4.400 4.427 -0.027 25478 460 1 20 . 1 1 16 16 SER H H 16 8.160 8.160 7.780 0.380 25478 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 25478 2 1 1 "Average Difference" HA 12 0.130 -0.029 0.133 25478 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25478 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25478 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25478 6 1 1 "Average Difference" HN 11 0.382 -0.164 0.361 25478 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25478 8 1 2 "Average Difference" HA 12 0.099 -0.031 0.098 25478 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25478 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25478 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25478 12 1 2 "Average Difference" HN 11 0.388 -0.188 0.355 25478 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25478 14 1 3 "Average Difference" HA 12 0.110 -0.015 0.113 25478 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25478 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25478 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25478 18 1 3 "Average Difference" HN 11 0.373 -0.101 0.376 25478 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25478 20 1 4 "Average Difference" HA 12 0.109 0.035 0.107 25478 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25478 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25478 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25478 24 1 4 "Average Difference" HN 11 0.361 -0.044 0.376 25478 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25478 26 1 5 "Average Difference" HA 12 0.095 0.025 0.096 25478 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25478 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25478 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25478 30 1 5 "Average Difference" HN 11 0.350 -0.179 0.315 25478 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25478 32 1 6 "Average Difference" HA 12 0.092 -0.006 0.096 25478 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25478 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25478 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25478 36 1 6 "Average Difference" HN 11 0.382 -0.099 0.387 25478 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25478 38 1 7 "Average Difference" HA 12 0.097 -0.022 0.099 25478 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25478 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25478 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25478 42 1 7 "Average Difference" HN 11 0.384 -0.157 0.367 25478 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25478 44 1 8 "Average Difference" HA 12 0.097 0.002 0.102 25478 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25478 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25478 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25478 48 1 8 "Average Difference" HN 11 0.388 -0.182 0.360 25478 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25478 50 1 9 "Average Difference" HA 12 0.095 0.012 0.098 25478 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25478 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25478 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25478 54 1 9 "Average Difference" HN 11 0.329 -0.081 0.335 25478 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25478 56 1 10 "Average Difference" HA 12 0.089 0.020 0.091 25478 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25478 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25478 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25478 60 1 10 "Average Difference" HN 11 0.387 -0.097 0.393 25478 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25478 62 1 11 "Average Difference" HA 12 0.108 -0.013 0.112 25478 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25478 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25478 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25478 66 1 11 "Average Difference" HN 11 0.354 -0.107 0.354 25478 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25478 68 1 12 "Average Difference" HA 12 0.092 -0.000 0.096 25478 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25478 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25478 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25478 72 1 12 "Average Difference" HN 11 0.389 -0.090 0.397 25478 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25478 74 1 13 "Average Difference" HA 12 0.101 -0.006 0.105 25478 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25478 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25478 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25478 78 1 13 "Average Difference" HN 11 0.360 -0.176 0.330 25478 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25478 80 1 14 "Average Difference" HA 12 0.112 -0.028 0.114 25478 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25478 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25478 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25478 84 1 14 "Average Difference" HN 11 0.369 -0.179 0.339 25478 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25478 86 1 15 "Average Difference" HA 12 0.088 -0.010 0.092 25478 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25478 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25478 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25478 90 1 15 "Average Difference" HN 11 0.388 -0.151 0.374 25478 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25478 92 1 16 "Average Difference" HA 12 0.102 0.019 0.105 25478 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25478 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25478 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25478 96 1 16 "Average Difference" HN 11 0.331 -0.092 0.334 25478 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25478 98 1 17 "Average Difference" HA 12 0.142 0.013 0.147 25478 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25478 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25478 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25478 102 1 17 "Average Difference" HN 11 0.370 -0.116 0.368 25478 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25478 104 1 18 "Average Difference" HA 12 0.097 -0.019 0.100 25478 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25478 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25478 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25478 108 1 18 "Average Difference" HN 11 0.363 -0.173 0.335 25478 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25478 110 1 19 "Average Difference" HA 12 0.094 0.015 0.097 25478 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25478 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25478 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25478 114 1 19 "Average Difference" HN 11 0.339 -0.102 0.340 25478 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25478 116 1 20 "Average Difference" HA 12 0.108 -0.027 0.110 25478 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25478 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25478 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25478 120 1 20 "Average Difference" HN 11 0.321 -0.164 0.290 25478 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 25478 _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 SER HA H 2 4.370 4.370 4.395 -0.025 25478 2 1 . 1 1 2 2 SER H H 2 8.720 8.720 8.549 0.171 25478 3 1 . 1 1 3 3 LYS HA H 3 4.300 4.300 4.212 0.088 25478 4 1 . 1 1 3 3 LYS H H 3 8.100 8.100 8.280 -0.180 25478 5 1 . 1 1 4 4 ASP HA H 4 4.680 4.680 4.529 0.151 25478 6 1 . 1 1 4 4 ASP H H 4 8.190 8.190 8.325 -0.135 25478 7 1 . 1 1 5 5 LEU HA H 5 4.070 4.070 4.238 -0.168 25478 8 1 . 1 1 5 5 LEU H H 5 8.290 8.290 7.547 0.743 25478 9 1 . 1 1 6 6 ARG HA H 6 3.920 3.920 4.031 -0.111 25478 10 1 . 1 1 6 6 ARG H H 6 7.990 7.990 7.737 0.253 25478 11 1 . 1 1 7 7 HIS HA H 7 4.450 4.450 4.503 -0.053 25478 12 1 . 1 1 7 7 HIS H H 7 7.720 7.720 7.793 -0.073 25478 13 1 . 1 1 8 8 ALA HA H 8 4.180 4.180 4.225 -0.045 25478 14 1 . 1 1 8 8 ALA H H 8 8.040 8.040 8.029 0.011 25478 15 1 . 1 1 9 9 PHE HA H 9 4.310 4.310 4.292 0.018 25478 16 1 . 1 1 9 9 PHE H H 9 8.170 8.170 7.482 0.688 25478 17 1 . 1 1 13 13 PHE HA H 13 4.710 4.710 4.670 0.040 25478 18 1 . 1 1 13 13 PHE H H 13 7.630 7.630 7.736 -0.106 25478 19 1 . 1 1 14 14 PRO HA H 14 4.450 4.450 4.368 0.082 25478 20 1 . 1 1 15 15 SER HA H 15 4.430 4.430 4.359 0.071 25478 21 1 . 1 1 15 15 SER H H 15 8.240 8.240 8.486 -0.246 25478 22 1 . 1 1 16 16 SER HA H 16 4.400 4.400 4.405 -0.005 25478 23 1 . 1 1 16 16 SER H H 16 8.160 8.160 7.831 0.329 25478 stop_ save_