data_19309 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19309 _Entry.PDB_ID 2M9R 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 19309 _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 ALA HA H 2 4.340 4.340 4.463 -0.123 19309 2 1 1 . 1 1 2 2 ALA H H 2 8.600 8.600 8.374 0.226 19309 3 1 1 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.448 -0.208 19309 4 1 1 . 1 1 3 3 GLU H H 3 8.080 8.080 8.475 -0.395 19309 5 1 1 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.644 -0.064 19309 6 1 1 . 1 1 4 4 PHE H H 4 7.920 7.920 8.748 -0.828 19309 7 1 1 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.759 -0.469 19309 8 1 1 . 1 1 5 5 ARG H H 5 8.310 8.310 8.581 -0.271 19309 9 1 1 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.874 -0.244 19309 10 1 1 . 1 1 6 6 HIS H H 6 8.300 8.300 8.605 -0.305 19309 11 1 1 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.636 -0.006 19309 12 1 1 . 1 1 7 7 ASP H H 7 8.420 8.420 8.683 -0.263 19309 13 1 1 . 1 1 8 8 SER HA H 8 4.290 4.290 4.614 -0.324 19309 14 1 1 . 1 1 8 8 SER H H 8 8.100 8.100 7.683 0.417 19309 15 1 1 . 1 1 9 9 GLY H H 9 8.070 8.070 8.342 -0.272 19309 16 1 1 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.762 -0.262 19309 17 1 1 . 1 1 10 10 TYR H H 10 8.010 8.010 8.313 -0.303 19309 18 1 1 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.672 -0.332 19309 19 1 1 . 1 1 11 11 GLU H H 11 8.230 8.230 8.793 -0.563 19309 20 1 1 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.613 -0.463 19309 21 1 1 . 1 1 12 12 VAL H H 12 7.780 7.780 8.173 -0.393 19309 22 1 1 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.409 0.221 19309 23 1 1 . 1 1 13 13 HIS H H 13 8.370 8.370 8.740 -0.370 19309 24 1 1 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.626 0.004 19309 25 1 1 . 1 1 14 14 HIS H H 14 8.280 8.280 8.317 -0.037 19309 26 1 1 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.386 -0.116 19309 27 1 1 . 1 1 15 15 GLN H H 15 8.300 8.300 8.537 -0.237 19309 28 1 1 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.402 -0.122 19309 29 1 1 . 1 1 16 16 LYS H H 16 8.240 8.240 8.698 -0.458 19309 30 1 1 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.704 -0.354 19309 31 1 1 . 1 1 17 17 LEU H H 17 8.020 8.020 7.792 0.228 19309 32 1 1 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.140 -0.030 19309 33 1 1 . 1 1 18 18 VAL H H 18 7.740 7.740 8.283 -0.543 19309 34 1 1 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.640 -0.090 19309 35 1 1 . 1 1 19 19 PHE H H 19 7.930 7.930 7.971 -0.041 19309 36 1 1 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.580 0.010 19309 37 1 1 . 1 1 20 20 PHE H H 20 8.120 8.120 7.966 0.154 19309 38 1 1 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.271 0.079 19309 39 1 1 . 1 1 21 21 ALA H H 21 8.190 8.190 8.799 -0.609 19309 40 1 1 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.386 -0.056 19309 41 1 1 . 1 1 22 22 GLU H H 22 8.030 8.030 7.922 0.108 19309 42 1 1 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.729 -0.099 19309 43 1 1 . 1 1 23 23 ASP H H 23 8.280 8.280 8.547 -0.267 19309 44 1 1 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.098 0.082 19309 45 1 1 . 1 1 24 24 VAL H H 24 7.680 7.680 8.262 -0.582 19309 46 1 1 . 1 1 25 25 GLY H H 25 8.150 8.150 8.304 -0.154 19309 47 1 1 . 1 1 26 26 SER HA H 26 4.380 4.380 4.527 -0.147 19309 48 1 1 . 1 1 26 26 SER H H 26 7.970 7.970 8.246 -0.276 19309 49 1 1 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.771 -0.191 19309 50 1 1 . 1 1 27 27 ASN H H 27 8.270 8.270 8.694 -0.424 19309 51 1 1 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.315 -0.135 19309 52 1 1 . 1 1 28 28 LYS H H 28 8.000 8.000 8.272 -0.272 19309 53 1 1 . 1 1 29 29 GLY H H 29 8.150 8.150 8.416 -0.266 19309 54 1 1 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.533 -0.173 19309 55 1 1 . 1 1 30 30 ALA H H 30 7.890 7.890 8.088 -0.198 19309 56 1 1 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.361 -0.171 19309 57 1 1 . 1 1 31 31 ILE H H 31 7.920 7.920 8.254 -0.334 19309 58 1 1 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.301 -0.111 19309 59 1 1 . 1 1 32 32 ILE H H 32 7.740 7.740 8.485 -0.745 19309 60 1 1 . 1 1 33 33 GLY H H 33 8.110 8.110 8.325 -0.215 19309 61 1 1 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.627 -0.267 19309 62 1 1 . 1 1 34 34 LEU H H 34 7.890 7.890 8.216 -0.326 19309 63 1 1 . 1 1 35 35 MET HA H 35 4.390 4.390 4.755 -0.365 19309 64 1 1 . 1 1 35 35 MET H H 35 8.180 8.180 8.473 -0.293 19309 65 1 1 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.375 -0.195 19309 66 1 1 . 1 1 36 36 VAL H H 36 7.660 7.660 8.447 -0.787 19309 67 1 1 . 1 1 37 37 GLY H H 37 8.220 8.220 8.522 -0.302 19309 68 1 1 . 1 1 38 38 GLY H H 38 8.050 8.050 8.242 -0.192 19309 69 1 1 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.455 -0.105 19309 70 1 1 . 1 1 39 39 VAL H H 39 7.810 7.810 7.844 -0.034 19309 71 1 2 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.533 -0.193 19309 72 1 2 . 1 1 2 2 ALA H H 2 8.600 8.600 8.140 0.460 19309 73 1 2 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.518 -0.278 19309 74 1 2 . 1 1 3 3 GLU H H 3 8.080 8.080 8.434 -0.354 19309 75 1 2 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.714 -0.134 19309 76 1 2 . 1 1 4 4 PHE H H 4 7.920 7.920 8.605 -0.685 19309 77 1 2 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.718 -0.428 19309 78 1 2 . 1 1 5 5 ARG H H 5 8.310 8.310 8.856 -0.546 19309 79 1 2 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.377 0.253 19309 80 1 2 . 1 1 6 6 HIS H H 6 8.300 8.300 8.960 -0.660 19309 81 1 2 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.633 -0.003 19309 82 1 2 . 1 1 7 7 ASP H H 7 8.420 8.420 8.008 0.412 19309 83 1 2 . 1 1 8 8 SER HA H 8 4.290 4.290 4.436 -0.146 19309 84 1 2 . 1 1 8 8 SER H H 8 8.100 8.100 8.028 0.072 19309 85 1 2 . 1 1 9 9 GLY H H 9 8.070 8.070 7.740 0.330 19309 86 1 2 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.634 -0.134 19309 87 1 2 . 1 1 10 10 TYR H H 10 8.010 8.010 7.805 0.205 19309 88 1 2 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.358 -0.018 19309 89 1 2 . 1 1 11 11 GLU H H 11 8.230 8.230 8.656 -0.426 19309 90 1 2 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.428 -0.278 19309 91 1 2 . 1 1 12 12 VAL H H 12 7.780 7.780 8.475 -0.695 19309 92 1 2 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.497 0.133 19309 93 1 2 . 1 1 13 13 HIS H H 13 8.370 8.370 8.612 -0.242 19309 94 1 2 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.719 -0.089 19309 95 1 2 . 1 1 14 14 HIS H H 14 8.280 8.280 8.206 0.074 19309 96 1 2 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.366 -0.096 19309 97 1 2 . 1 1 15 15 GLN H H 15 8.300 8.300 8.513 -0.213 19309 98 1 2 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.496 -0.216 19309 99 1 2 . 1 1 16 16 LYS H H 16 8.240 8.240 8.588 -0.348 19309 100 1 2 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.580 -0.230 19309 101 1 2 . 1 1 17 17 LEU H H 17 8.020 8.020 7.742 0.278 19309 102 1 2 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.098 0.012 19309 103 1 2 . 1 1 18 18 VAL H H 18 7.740 7.740 8.197 -0.457 19309 104 1 2 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.578 -0.028 19309 105 1 2 . 1 1 19 19 PHE H H 19 7.930 7.930 7.731 0.199 19309 106 1 2 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.517 0.073 19309 107 1 2 . 1 1 20 20 PHE H H 20 8.120 8.120 7.994 0.126 19309 108 1 2 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.593 -0.243 19309 109 1 2 . 1 1 21 21 ALA H H 21 8.190 8.190 8.941 -0.751 19309 110 1 2 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.473 -0.143 19309 111 1 2 . 1 1 22 22 GLU H H 22 8.030 8.030 7.914 0.116 19309 112 1 2 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.605 0.025 19309 113 1 2 . 1 1 23 23 ASP H H 23 8.280 8.280 8.754 -0.474 19309 114 1 2 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.225 -0.045 19309 115 1 2 . 1 1 24 24 VAL H H 24 7.680 7.680 7.888 -0.208 19309 116 1 2 . 1 1 25 25 GLY H H 25 8.150 8.150 8.798 -0.648 19309 117 1 2 . 1 1 26 26 SER HA H 26 4.380 4.380 4.492 -0.112 19309 118 1 2 . 1 1 26 26 SER H H 26 7.970 7.970 8.047 -0.077 19309 119 1 2 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.656 -0.076 19309 120 1 2 . 1 1 27 27 ASN H H 27 8.270 8.270 8.625 -0.355 19309 121 1 2 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.640 -0.460 19309 122 1 2 . 1 1 28 28 LYS H H 28 8.000 8.000 8.111 -0.111 19309 123 1 2 . 1 1 29 29 GLY H H 29 8.150 8.150 8.528 -0.378 19309 124 1 2 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.668 -0.308 19309 125 1 2 . 1 1 30 30 ALA H H 30 7.890 7.890 8.083 -0.193 19309 126 1 2 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.315 -0.125 19309 127 1 2 . 1 1 31 31 ILE H H 31 7.920 7.920 8.616 -0.696 19309 128 1 2 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.608 -0.418 19309 129 1 2 . 1 1 32 32 ILE H H 32 7.740 7.740 8.420 -0.680 19309 130 1 2 . 1 1 33 33 GLY H H 33 8.110 8.110 7.994 0.116 19309 131 1 2 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.666 -0.306 19309 132 1 2 . 1 1 34 34 LEU H H 34 7.890 7.890 8.087 -0.197 19309 133 1 2 . 1 1 35 35 MET HA H 35 4.390 4.390 4.599 -0.209 19309 134 1 2 . 1 1 35 35 MET H H 35 8.180 8.180 8.432 -0.252 19309 135 1 2 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.220 -0.040 19309 136 1 2 . 1 1 36 36 VAL H H 36 7.660 7.660 8.592 -0.932 19309 137 1 2 . 1 1 37 37 GLY H H 37 8.220 8.220 8.167 0.053 19309 138 1 2 . 1 1 38 38 GLY H H 38 8.050 8.050 8.317 -0.267 19309 139 1 2 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.345 0.005 19309 140 1 2 . 1 1 39 39 VAL H H 39 7.810 7.810 8.272 -0.462 19309 141 1 3 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.433 -0.093 19309 142 1 3 . 1 1 2 2 ALA H H 2 8.600 8.600 8.360 0.240 19309 143 1 3 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.506 -0.266 19309 144 1 3 . 1 1 3 3 GLU H H 3 8.080 8.080 8.443 -0.363 19309 145 1 3 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.661 -0.081 19309 146 1 3 . 1 1 4 4 PHE H H 4 7.920 7.920 8.683 -0.763 19309 147 1 3 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.598 -0.308 19309 148 1 3 . 1 1 5 5 ARG H H 5 8.310 8.310 8.742 -0.432 19309 149 1 3 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.736 -0.106 19309 150 1 3 . 1 1 6 6 HIS H H 6 8.300 8.300 8.611 -0.311 19309 151 1 3 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.617 0.013 19309 152 1 3 . 1 1 7 7 ASP H H 7 8.420 8.420 8.815 -0.395 19309 153 1 3 . 1 1 8 8 SER HA H 8 4.290 4.290 4.660 -0.370 19309 154 1 3 . 1 1 8 8 SER H H 8 8.100 8.100 8.205 -0.105 19309 155 1 3 . 1 1 9 9 GLY H H 9 8.070 8.070 8.215 -0.145 19309 156 1 3 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.594 -0.094 19309 157 1 3 . 1 1 10 10 TYR H H 10 8.010 8.010 8.308 -0.298 19309 158 1 3 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.583 -0.243 19309 159 1 3 . 1 1 11 11 GLU H H 11 8.230 8.230 8.919 -0.689 19309 160 1 3 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.560 -0.410 19309 161 1 3 . 1 1 12 12 VAL H H 12 7.780 7.780 8.095 -0.315 19309 162 1 3 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.490 0.140 19309 163 1 3 . 1 1 13 13 HIS H H 13 8.370 8.370 8.642 -0.272 19309 164 1 3 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.709 -0.079 19309 165 1 3 . 1 1 14 14 HIS H H 14 8.280 8.280 8.352 -0.072 19309 166 1 3 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.463 -0.193 19309 167 1 3 . 1 1 15 15 GLN H H 15 8.300 8.300 8.643 -0.343 19309 168 1 3 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.438 -0.158 19309 169 1 3 . 1 1 16 16 LYS H H 16 8.240 8.240 8.607 -0.367 19309 170 1 3 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.411 -0.061 19309 171 1 3 . 1 1 17 17 LEU H H 17 8.020 8.020 8.677 -0.657 19309 172 1 3 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.325 -0.215 19309 173 1 3 . 1 1 18 18 VAL H H 18 7.740 7.740 7.929 -0.189 19309 174 1 3 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.639 -0.089 19309 175 1 3 . 1 1 19 19 PHE H H 19 7.930 7.930 8.205 -0.275 19309 176 1 3 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.578 0.012 19309 177 1 3 . 1 1 20 20 PHE H H 20 8.120 8.120 8.215 -0.095 19309 178 1 3 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.501 -0.151 19309 179 1 3 . 1 1 21 21 ALA H H 21 8.190 8.190 8.548 -0.358 19309 180 1 3 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.259 0.071 19309 181 1 3 . 1 1 22 22 GLU H H 22 8.030 8.030 8.843 -0.813 19309 182 1 3 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.776 -0.146 19309 183 1 3 . 1 1 23 23 ASP H H 23 8.280 8.280 8.060 0.220 19309 184 1 3 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.427 -0.247 19309 185 1 3 . 1 1 24 24 VAL H H 24 7.680 7.680 8.337 -0.657 19309 186 1 3 . 1 1 25 25 GLY H H 25 8.150 8.150 8.623 -0.473 19309 187 1 3 . 1 1 26 26 SER HA H 26 4.380 4.380 4.741 -0.361 19309 188 1 3 . 1 1 26 26 SER H H 26 7.970 7.970 8.383 -0.413 19309 189 1 3 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.692 -0.112 19309 190 1 3 . 1 1 27 27 ASN H H 27 8.270 8.270 8.546 -0.276 19309 191 1 3 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.464 -0.284 19309 192 1 3 . 1 1 28 28 LYS H H 28 8.000 8.000 7.982 0.018 19309 193 1 3 . 1 1 29 29 GLY H H 29 8.150 8.150 8.657 -0.507 19309 194 1 3 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.700 -0.340 19309 195 1 3 . 1 1 30 30 ALA H H 30 7.890 7.890 8.152 -0.262 19309 196 1 3 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.351 -0.161 19309 197 1 3 . 1 1 31 31 ILE H H 31 7.920 7.920 8.653 -0.733 19309 198 1 3 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.389 -0.199 19309 199 1 3 . 1 1 32 32 ILE H H 32 7.740 7.740 8.696 -0.956 19309 200 1 3 . 1 1 33 33 GLY H H 33 8.110 8.110 8.340 -0.230 19309 201 1 3 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.551 -0.191 19309 202 1 3 . 1 1 34 34 LEU H H 34 7.890 7.890 8.182 -0.292 19309 203 1 3 . 1 1 35 35 MET HA H 35 4.390 4.390 4.615 -0.225 19309 204 1 3 . 1 1 35 35 MET H H 35 8.180 8.180 8.484 -0.304 19309 205 1 3 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.326 -0.146 19309 206 1 3 . 1 1 36 36 VAL H H 36 7.660 7.660 8.694 -1.034 19309 207 1 3 . 1 1 37 37 GLY H H 37 8.220 8.220 8.434 -0.214 19309 208 1 3 . 1 1 38 38 GLY H H 38 8.050 8.050 8.543 -0.493 19309 209 1 3 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.604 -0.254 19309 210 1 3 . 1 1 39 39 VAL H H 39 7.810 7.810 8.433 -0.623 19309 211 1 4 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.294 0.046 19309 212 1 4 . 1 1 2 2 ALA H H 2 8.600 8.600 7.836 0.764 19309 213 1 4 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.396 -0.156 19309 214 1 4 . 1 1 3 3 GLU H H 3 8.080 8.080 8.020 0.060 19309 215 1 4 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.647 -0.067 19309 216 1 4 . 1 1 4 4 PHE H H 4 7.920 7.920 8.594 -0.674 19309 217 1 4 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.607 -0.317 19309 218 1 4 . 1 1 5 5 ARG H H 5 8.310 8.310 8.748 -0.438 19309 219 1 4 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.776 -0.146 19309 220 1 4 . 1 1 6 6 HIS H H 6 8.300 8.300 8.483 -0.183 19309 221 1 4 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.634 -0.004 19309 222 1 4 . 1 1 7 7 ASP H H 7 8.420 8.420 8.675 -0.255 19309 223 1 4 . 1 1 8 8 SER HA H 8 4.290 4.290 4.669 -0.379 19309 224 1 4 . 1 1 8 8 SER H H 8 8.100 8.100 8.560 -0.460 19309 225 1 4 . 1 1 9 9 GLY H H 9 8.070 8.070 8.706 -0.636 19309 226 1 4 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.731 -0.231 19309 227 1 4 . 1 1 10 10 TYR H H 10 8.010 8.010 8.440 -0.430 19309 228 1 4 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.570 -0.230 19309 229 1 4 . 1 1 11 11 GLU H H 11 8.230 8.230 8.627 -0.397 19309 230 1 4 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.342 -0.192 19309 231 1 4 . 1 1 12 12 VAL H H 12 7.780 7.780 8.194 -0.414 19309 232 1 4 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.460 0.170 19309 233 1 4 . 1 1 13 13 HIS H H 13 8.370 8.370 8.527 -0.157 19309 234 1 4 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.734 -0.104 19309 235 1 4 . 1 1 14 14 HIS H H 14 8.280 8.280 8.414 -0.134 19309 236 1 4 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.430 -0.160 19309 237 1 4 . 1 1 15 15 GLN H H 15 8.300 8.300 8.849 -0.549 19309 238 1 4 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.575 -0.295 19309 239 1 4 . 1 1 16 16 LYS H H 16 8.240 8.240 8.672 -0.432 19309 240 1 4 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.718 -0.368 19309 241 1 4 . 1 1 17 17 LEU H H 17 8.020 8.020 7.878 0.142 19309 242 1 4 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.389 -0.279 19309 243 1 4 . 1 1 18 18 VAL H H 18 7.740 7.740 8.318 -0.578 19309 244 1 4 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.413 0.137 19309 245 1 4 . 1 1 19 19 PHE H H 19 7.930 7.930 8.061 -0.131 19309 246 1 4 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.897 -0.307 19309 247 1 4 . 1 1 20 20 PHE H H 20 8.120 8.120 7.932 0.188 19309 248 1 4 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.426 -0.076 19309 249 1 4 . 1 1 21 21 ALA H H 21 8.190 8.190 8.605 -0.415 19309 250 1 4 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.496 -0.166 19309 251 1 4 . 1 1 22 22 GLU H H 22 8.030 8.030 8.153 -0.123 19309 252 1 4 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.739 -0.109 19309 253 1 4 . 1 1 23 23 ASP H H 23 8.280 8.280 8.608 -0.328 19309 254 1 4 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.298 -0.118 19309 255 1 4 . 1 1 24 24 VAL H H 24 7.680 7.680 8.108 -0.428 19309 256 1 4 . 1 1 25 25 GLY H H 25 8.150 8.150 8.745 -0.595 19309 257 1 4 . 1 1 26 26 SER HA H 26 4.380 4.380 4.511 -0.131 19309 258 1 4 . 1 1 26 26 SER H H 26 7.970 7.970 7.844 0.126 19309 259 1 4 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.772 -0.192 19309 260 1 4 . 1 1 27 27 ASN H H 27 8.270 8.270 8.776 -0.506 19309 261 1 4 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.367 -0.187 19309 262 1 4 . 1 1 28 28 LYS H H 28 8.000 8.000 8.301 -0.301 19309 263 1 4 . 1 1 29 29 GLY H H 29 8.150 8.150 8.469 -0.319 19309 264 1 4 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.520 -0.160 19309 265 1 4 . 1 1 30 30 ALA H H 30 7.890 7.890 8.066 -0.176 19309 266 1 4 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.372 -0.182 19309 267 1 4 . 1 1 31 31 ILE H H 31 7.920 7.920 8.385 -0.465 19309 268 1 4 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.533 -0.343 19309 269 1 4 . 1 1 32 32 ILE H H 32 7.740 7.740 8.091 -0.350 19309 270 1 4 . 1 1 33 33 GLY H H 33 8.110 8.110 8.594 -0.484 19309 271 1 4 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.649 -0.289 19309 272 1 4 . 1 1 34 34 LEU H H 34 7.890 7.890 7.809 0.081 19309 273 1 4 . 1 1 35 35 MET HA H 35 4.390 4.390 4.734 -0.344 19309 274 1 4 . 1 1 35 35 MET H H 35 8.180 8.180 8.479 -0.299 19309 275 1 4 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.209 -0.029 19309 276 1 4 . 1 1 36 36 VAL H H 36 7.660 7.660 8.606 -0.946 19309 277 1 4 . 1 1 37 37 GLY H H 37 8.220 8.220 8.416 -0.196 19309 278 1 4 . 1 1 38 38 GLY H H 38 8.050 8.050 8.430 -0.380 19309 279 1 4 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.340 0.010 19309 280 1 4 . 1 1 39 39 VAL H H 39 7.810 7.810 8.196 -0.386 19309 281 1 5 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.264 0.076 19309 282 1 5 . 1 1 2 2 ALA H H 2 8.600 8.600 8.218 0.382 19309 283 1 5 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.268 -0.028 19309 284 1 5 . 1 1 3 3 GLU H H 3 8.080 8.080 8.063 0.017 19309 285 1 5 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.518 0.062 19309 286 1 5 . 1 1 4 4 PHE H H 4 7.920 7.920 8.509 -0.589 19309 287 1 5 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.631 -0.341 19309 288 1 5 . 1 1 5 5 ARG H H 5 8.310 8.310 8.535 -0.225 19309 289 1 5 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.729 -0.099 19309 290 1 5 . 1 1 6 6 HIS H H 6 8.300 8.300 8.818 -0.518 19309 291 1 5 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.508 0.122 19309 292 1 5 . 1 1 7 7 ASP H H 7 8.420 8.420 8.739 -0.319 19309 293 1 5 . 1 1 8 8 SER HA H 8 4.290 4.290 4.424 -0.134 19309 294 1 5 . 1 1 8 8 SER H H 8 8.100 8.100 7.801 0.299 19309 295 1 5 . 1 1 9 9 GLY H H 9 8.070 8.070 8.739 -0.669 19309 296 1 5 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.903 -0.403 19309 297 1 5 . 1 1 10 10 TYR H H 10 8.010 8.010 8.129 -0.119 19309 298 1 5 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.426 -0.086 19309 299 1 5 . 1 1 11 11 GLU H H 11 8.230 8.230 8.682 -0.452 19309 300 1 5 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.516 -0.366 19309 301 1 5 . 1 1 12 12 VAL H H 12 7.780 7.780 8.137 -0.357 19309 302 1 5 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.454 0.176 19309 303 1 5 . 1 1 13 13 HIS H H 13 8.370 8.370 8.638 -0.268 19309 304 1 5 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.856 -0.226 19309 305 1 5 . 1 1 14 14 HIS H H 14 8.280 8.280 8.150 0.130 19309 306 1 5 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.486 -0.216 19309 307 1 5 . 1 1 15 15 GLN H H 15 8.300 8.300 8.762 -0.462 19309 308 1 5 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.479 -0.199 19309 309 1 5 . 1 1 16 16 LYS H H 16 8.240 8.240 8.764 -0.524 19309 310 1 5 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.484 -0.134 19309 311 1 5 . 1 1 17 17 LEU H H 17 8.020 8.020 7.767 0.253 19309 312 1 5 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.344 -0.234 19309 313 1 5 . 1 1 18 18 VAL H H 18 7.740 7.740 8.074 -0.334 19309 314 1 5 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.516 0.034 19309 315 1 5 . 1 1 19 19 PHE H H 19 7.930 7.930 8.441 -0.511 19309 316 1 5 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.514 0.076 19309 317 1 5 . 1 1 20 20 PHE H H 20 8.120 8.120 8.162 -0.042 19309 318 1 5 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.197 0.153 19309 319 1 5 . 1 1 21 21 ALA H H 21 8.190 8.190 8.243 -0.053 19309 320 1 5 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.268 0.062 19309 321 1 5 . 1 1 22 22 GLU H H 22 8.030 8.030 8.644 -0.614 19309 322 1 5 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.964 -0.334 19309 323 1 5 . 1 1 23 23 ASP H H 23 8.280 8.280 7.949 0.331 19309 324 1 5 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.349 -0.170 19309 325 1 5 . 1 1 24 24 VAL H H 24 7.680 7.680 8.600 -0.920 19309 326 1 5 . 1 1 25 25 GLY H H 25 8.150 8.150 8.588 -0.438 19309 327 1 5 . 1 1 26 26 SER HA H 26 4.380 4.380 4.450 -0.070 19309 328 1 5 . 1 1 26 26 SER H H 26 7.970 7.970 8.287 -0.317 19309 329 1 5 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.763 -0.183 19309 330 1 5 . 1 1 27 27 ASN H H 27 8.270 8.270 8.809 -0.538 19309 331 1 5 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.315 -0.135 19309 332 1 5 . 1 1 28 28 LYS H H 28 8.000 8.000 8.216 -0.216 19309 333 1 5 . 1 1 29 29 GLY H H 29 8.150 8.150 8.518 -0.368 19309 334 1 5 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.520 -0.160 19309 335 1 5 . 1 1 30 30 ALA H H 30 7.890 7.890 8.066 -0.176 19309 336 1 5 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.215 -0.025 19309 337 1 5 . 1 1 31 31 ILE H H 31 7.920 7.920 8.484 -0.564 19309 338 1 5 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.491 -0.301 19309 339 1 5 . 1 1 32 32 ILE H H 32 7.740 7.740 7.709 0.031 19309 340 1 5 . 1 1 33 33 GLY H H 33 8.110 8.110 8.624 -0.514 19309 341 1 5 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.556 -0.196 19309 342 1 5 . 1 1 34 34 LEU H H 34 7.890 7.890 7.820 0.070 19309 343 1 5 . 1 1 35 35 MET HA H 35 4.390 4.390 4.723 -0.333 19309 344 1 5 . 1 1 35 35 MET H H 35 8.180 8.180 8.509 -0.329 19309 345 1 5 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.318 -0.138 19309 346 1 5 . 1 1 36 36 VAL H H 36 7.660 7.660 8.627 -0.967 19309 347 1 5 . 1 1 37 37 GLY H H 37 8.220 8.220 8.282 -0.062 19309 348 1 5 . 1 1 38 38 GLY H H 38 8.050 8.050 8.032 0.018 19309 349 1 5 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.520 -0.170 19309 350 1 5 . 1 1 39 39 VAL H H 39 7.810 7.810 8.203 -0.393 19309 351 1 6 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.601 -0.261 19309 352 1 6 . 1 1 2 2 ALA H H 2 8.600 8.600 8.165 0.435 19309 353 1 6 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.537 -0.297 19309 354 1 6 . 1 1 3 3 GLU H H 3 8.080 8.080 8.818 -0.738 19309 355 1 6 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.882 -0.302 19309 356 1 6 . 1 1 4 4 PHE H H 4 7.920 7.920 8.384 -0.464 19309 357 1 6 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.582 -0.292 19309 358 1 6 . 1 1 5 5 ARG H H 5 8.310 8.310 8.440 -0.130 19309 359 1 6 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.638 -0.008 19309 360 1 6 . 1 1 6 6 HIS H H 6 8.300 8.300 8.823 -0.523 19309 361 1 6 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.598 0.032 19309 362 1 6 . 1 1 7 7 ASP H H 7 8.420 8.420 8.409 0.011 19309 363 1 6 . 1 1 8 8 SER HA H 8 4.290 4.290 4.681 -0.391 19309 364 1 6 . 1 1 8 8 SER H H 8 8.100 8.100 8.201 -0.101 19309 365 1 6 . 1 1 9 9 GLY H H 9 8.070 8.070 8.653 -0.583 19309 366 1 6 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.594 -0.094 19309 367 1 6 . 1 1 10 10 TYR H H 10 8.010 8.010 8.093 -0.083 19309 368 1 6 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.696 -0.356 19309 369 1 6 . 1 1 11 11 GLU H H 11 8.230 8.230 8.985 -0.755 19309 370 1 6 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.526 -0.376 19309 371 1 6 . 1 1 12 12 VAL H H 12 7.780 7.780 8.270 -0.490 19309 372 1 6 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.478 0.152 19309 373 1 6 . 1 1 13 13 HIS H H 13 8.370 8.370 8.743 -0.373 19309 374 1 6 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.530 0.100 19309 375 1 6 . 1 1 14 14 HIS H H 14 8.280 8.280 8.262 0.018 19309 376 1 6 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.420 -0.150 19309 377 1 6 . 1 1 15 15 GLN H H 15 8.300 8.300 8.276 0.024 19309 378 1 6 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.410 -0.130 19309 379 1 6 . 1 1 16 16 LYS H H 16 8.240 8.240 8.736 -0.496 19309 380 1 6 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.511 -0.161 19309 381 1 6 . 1 1 17 17 LEU H H 17 8.020 8.020 7.874 0.146 19309 382 1 6 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.044 0.066 19309 383 1 6 . 1 1 18 18 VAL H H 18 7.740 7.740 8.063 -0.323 19309 384 1 6 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.541 0.009 19309 385 1 6 . 1 1 19 19 PHE H H 19 7.930 7.930 7.828 0.102 19309 386 1 6 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.511 0.079 19309 387 1 6 . 1 1 20 20 PHE H H 20 8.120 8.120 8.177 -0.057 19309 388 1 6 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.589 -0.239 19309 389 1 6 . 1 1 21 21 ALA H H 21 8.190 8.190 8.518 -0.328 19309 390 1 6 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.254 0.076 19309 391 1 6 . 1 1 22 22 GLU H H 22 8.030 8.030 8.889 -0.859 19309 392 1 6 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.650 -0.020 19309 393 1 6 . 1 1 23 23 ASP H H 23 8.280 8.280 8.190 0.090 19309 394 1 6 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.284 -0.104 19309 395 1 6 . 1 1 24 24 VAL H H 24 7.680 7.680 8.296 -0.616 19309 396 1 6 . 1 1 25 25 GLY H H 25 8.150 8.150 8.490 -0.340 19309 397 1 6 . 1 1 26 26 SER HA H 26 4.380 4.380 4.379 0.001 19309 398 1 6 . 1 1 26 26 SER H H 26 7.970 7.970 8.380 -0.410 19309 399 1 6 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.684 -0.104 19309 400 1 6 . 1 1 27 27 ASN H H 27 8.270 8.270 8.696 -0.426 19309 401 1 6 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.675 -0.495 19309 402 1 6 . 1 1 28 28 LYS H H 28 8.000 8.000 7.930 0.070 19309 403 1 6 . 1 1 29 29 GLY H H 29 8.150 8.150 8.536 -0.386 19309 404 1 6 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.942 -0.582 19309 405 1 6 . 1 1 30 30 ALA H H 30 7.890 7.890 8.138 -0.248 19309 406 1 6 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.456 -0.266 19309 407 1 6 . 1 1 31 31 ILE H H 31 7.920 7.920 8.197 -0.277 19309 408 1 6 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.321 -0.131 19309 409 1 6 . 1 1 32 32 ILE H H 32 7.740 7.740 8.479 -0.739 19309 410 1 6 . 1 1 33 33 GLY H H 33 8.110 8.110 8.420 -0.310 19309 411 1 6 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.647 -0.287 19309 412 1 6 . 1 1 34 34 LEU H H 34 7.890 7.890 8.233 -0.343 19309 413 1 6 . 1 1 35 35 MET HA H 35 4.390 4.390 4.815 -0.425 19309 414 1 6 . 1 1 35 35 MET H H 35 8.180 8.180 8.465 -0.285 19309 415 1 6 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.332 -0.152 19309 416 1 6 . 1 1 36 36 VAL H H 36 7.660 7.660 8.646 -0.986 19309 417 1 6 . 1 1 37 37 GLY H H 37 8.220 8.220 8.518 -0.298 19309 418 1 6 . 1 1 38 38 GLY H H 38 8.050 8.050 8.100 -0.050 19309 419 1 6 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.591 -0.241 19309 420 1 6 . 1 1 39 39 VAL H H 39 7.810 7.810 8.110 -0.300 19309 421 1 7 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.319 0.021 19309 422 1 7 . 1 1 2 2 ALA H H 2 8.600 8.600 7.843 0.757 19309 423 1 7 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.469 -0.229 19309 424 1 7 . 1 1 3 3 GLU H H 3 8.080 8.080 8.014 0.066 19309 425 1 7 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.682 -0.102 19309 426 1 7 . 1 1 4 4 PHE H H 4 7.920 7.920 8.750 -0.830 19309 427 1 7 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.659 -0.369 19309 428 1 7 . 1 1 5 5 ARG H H 5 8.310 8.310 8.727 -0.417 19309 429 1 7 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.722 -0.092 19309 430 1 7 . 1 1 6 6 HIS H H 6 8.300 8.300 8.483 -0.183 19309 431 1 7 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.711 -0.081 19309 432 1 7 . 1 1 7 7 ASP H H 7 8.420 8.420 8.749 -0.329 19309 433 1 7 . 1 1 8 8 SER HA H 8 4.290 4.290 4.683 -0.393 19309 434 1 7 . 1 1 8 8 SER H H 8 8.100 8.100 8.530 -0.430 19309 435 1 7 . 1 1 9 9 GLY H H 9 8.070 8.070 8.683 -0.613 19309 436 1 7 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.680 -0.180 19309 437 1 7 . 1 1 10 10 TYR H H 10 8.010 8.010 8.393 -0.383 19309 438 1 7 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.654 -0.314 19309 439 1 7 . 1 1 11 11 GLU H H 11 8.230 8.230 8.914 -0.684 19309 440 1 7 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.532 -0.382 19309 441 1 7 . 1 1 12 12 VAL H H 12 7.780 7.780 8.520 -0.740 19309 442 1 7 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.469 0.161 19309 443 1 7 . 1 1 13 13 HIS H H 13 8.370 8.370 8.707 -0.337 19309 444 1 7 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.695 -0.065 19309 445 1 7 . 1 1 14 14 HIS H H 14 8.280 8.280 8.337 -0.057 19309 446 1 7 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.437 -0.167 19309 447 1 7 . 1 1 15 15 GLN H H 15 8.300 8.300 8.871 -0.571 19309 448 1 7 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.529 -0.249 19309 449 1 7 . 1 1 16 16 LYS H H 16 8.240 8.240 8.852 -0.612 19309 450 1 7 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.551 -0.201 19309 451 1 7 . 1 1 17 17 LEU H H 17 8.020 8.020 7.756 0.264 19309 452 1 7 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.123 -0.013 19309 453 1 7 . 1 1 18 18 VAL H H 18 7.740 7.740 8.374 -0.634 19309 454 1 7 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.538 0.012 19309 455 1 7 . 1 1 19 19 PHE H H 19 7.930 7.930 8.470 -0.540 19309 456 1 7 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.541 0.049 19309 457 1 7 . 1 1 20 20 PHE H H 20 8.120 8.120 8.207 -0.087 19309 458 1 7 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.342 0.008 19309 459 1 7 . 1 1 21 21 ALA H H 21 8.190 8.190 8.306 -0.116 19309 460 1 7 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.327 0.003 19309 461 1 7 . 1 1 22 22 GLU H H 22 8.030 8.030 8.857 -0.827 19309 462 1 7 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.690 -0.060 19309 463 1 7 . 1 1 23 23 ASP H H 23 8.280 8.280 8.135 0.145 19309 464 1 7 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.463 -0.283 19309 465 1 7 . 1 1 24 24 VAL H H 24 7.680 7.680 8.272 -0.592 19309 466 1 7 . 1 1 25 25 GLY H H 25 8.150 8.150 8.519 -0.369 19309 467 1 7 . 1 1 26 26 SER HA H 26 4.380 4.380 4.474 -0.094 19309 468 1 7 . 1 1 26 26 SER H H 26 7.970 7.970 7.958 0.012 19309 469 1 7 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.671 -0.091 19309 470 1 7 . 1 1 27 27 ASN H H 27 8.270 8.270 8.648 -0.378 19309 471 1 7 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.475 -0.295 19309 472 1 7 . 1 1 28 28 LYS H H 28 8.000 8.000 8.091 -0.091 19309 473 1 7 . 1 1 29 29 GLY H H 29 8.150 8.150 8.778 -0.628 19309 474 1 7 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.515 -0.155 19309 475 1 7 . 1 1 30 30 ALA H H 30 7.890 7.890 8.166 -0.276 19309 476 1 7 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.270 -0.080 19309 477 1 7 . 1 1 31 31 ILE H H 31 7.920 7.920 8.388 -0.468 19309 478 1 7 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.556 -0.366 19309 479 1 7 . 1 1 32 32 ILE H H 32 7.740 7.740 7.995 -0.255 19309 480 1 7 . 1 1 33 33 GLY H H 33 8.110 8.110 8.602 -0.492 19309 481 1 7 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.672 -0.312 19309 482 1 7 . 1 1 34 34 LEU H H 34 7.890 7.890 7.768 0.122 19309 483 1 7 . 1 1 35 35 MET HA H 35 4.390 4.390 4.774 -0.384 19309 484 1 7 . 1 1 35 35 MET H H 35 8.180 8.180 8.569 -0.389 19309 485 1 7 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.307 -0.127 19309 486 1 7 . 1 1 36 36 VAL H H 36 7.660 7.660 8.539 -0.879 19309 487 1 7 . 1 1 37 37 GLY H H 37 8.220 8.220 8.675 -0.455 19309 488 1 7 . 1 1 38 38 GLY H H 38 8.050 8.050 7.928 0.122 19309 489 1 7 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.436 -0.086 19309 490 1 7 . 1 1 39 39 VAL H H 39 7.810 7.810 8.217 -0.407 19309 491 1 8 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.363 -0.023 19309 492 1 8 . 1 1 2 2 ALA H H 2 8.600 8.600 8.593 0.007 19309 493 1 8 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.436 -0.196 19309 494 1 8 . 1 1 3 3 GLU H H 3 8.080 8.080 8.033 0.047 19309 495 1 8 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.747 -0.167 19309 496 1 8 . 1 1 4 4 PHE H H 4 7.920 7.920 8.713 -0.793 19309 497 1 8 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.611 -0.321 19309 498 1 8 . 1 1 5 5 ARG H H 5 8.310 8.310 8.723 -0.413 19309 499 1 8 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.497 0.133 19309 500 1 8 . 1 1 6 6 HIS H H 6 8.300 8.300 8.675 -0.375 19309 501 1 8 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.643 -0.013 19309 502 1 8 . 1 1 7 7 ASP H H 7 8.420 8.420 8.368 0.052 19309 503 1 8 . 1 1 8 8 SER HA H 8 4.290 4.290 4.628 -0.338 19309 504 1 8 . 1 1 8 8 SER H H 8 8.100 8.100 8.559 -0.459 19309 505 1 8 . 1 1 9 9 GLY H H 9 8.070 8.070 8.107 -0.037 19309 506 1 8 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.607 -0.107 19309 507 1 8 . 1 1 10 10 TYR H H 10 8.010 8.010 8.523 -0.513 19309 508 1 8 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.549 -0.209 19309 509 1 8 . 1 1 11 11 GLU H H 11 8.230 8.230 8.809 -0.579 19309 510 1 8 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.357 -0.207 19309 511 1 8 . 1 1 12 12 VAL H H 12 7.780 7.780 8.275 -0.495 19309 512 1 8 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.493 0.137 19309 513 1 8 . 1 1 13 13 HIS H H 13 8.370 8.370 8.652 -0.282 19309 514 1 8 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.786 -0.156 19309 515 1 8 . 1 1 14 14 HIS H H 14 8.280 8.280 8.335 -0.055 19309 516 1 8 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.476 -0.206 19309 517 1 8 . 1 1 15 15 GLN H H 15 8.300 8.300 8.757 -0.457 19309 518 1 8 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.514 -0.234 19309 519 1 8 . 1 1 16 16 LYS H H 16 8.240 8.240 8.760 -0.520 19309 520 1 8 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.530 -0.180 19309 521 1 8 . 1 1 17 17 LEU H H 17 8.020 8.020 7.882 0.138 19309 522 1 8 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.138 -0.028 19309 523 1 8 . 1 1 18 18 VAL H H 18 7.740 7.740 8.256 -0.516 19309 524 1 8 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.538 0.012 19309 525 1 8 . 1 1 19 19 PHE H H 19 7.930 7.930 7.878 0.052 19309 526 1 8 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.564 0.026 19309 527 1 8 . 1 1 20 20 PHE H H 20 8.120 8.120 7.817 0.303 19309 528 1 8 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.491 -0.141 19309 529 1 8 . 1 1 21 21 ALA H H 21 8.190 8.190 8.761 -0.571 19309 530 1 8 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.239 0.091 19309 531 1 8 . 1 1 22 22 GLU H H 22 8.030 8.030 8.772 -0.742 19309 532 1 8 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.770 -0.140 19309 533 1 8 . 1 1 23 23 ASP H H 23 8.280 8.280 8.377 -0.097 19309 534 1 8 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.398 -0.218 19309 535 1 8 . 1 1 24 24 VAL H H 24 7.680 7.680 7.982 -0.302 19309 536 1 8 . 1 1 25 25 GLY H H 25 8.150 8.150 8.334 -0.184 19309 537 1 8 . 1 1 26 26 SER HA H 26 4.380 4.380 4.597 -0.217 19309 538 1 8 . 1 1 26 26 SER H H 26 7.970 7.970 7.924 0.046 19309 539 1 8 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.724 -0.144 19309 540 1 8 . 1 1 27 27 ASN H H 27 8.270 8.270 8.566 -0.296 19309 541 1 8 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.476 -0.296 19309 542 1 8 . 1 1 28 28 LYS H H 28 8.000 8.000 8.339 -0.339 19309 543 1 8 . 1 1 29 29 GLY H H 29 8.150 8.150 8.707 -0.556 19309 544 1 8 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.755 -0.395 19309 545 1 8 . 1 1 30 30 ALA H H 30 7.890 7.890 8.025 -0.135 19309 546 1 8 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.434 -0.244 19309 547 1 8 . 1 1 31 31 ILE H H 31 7.920 7.920 8.231 -0.311 19309 548 1 8 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.500 -0.310 19309 549 1 8 . 1 1 32 32 ILE H H 32 7.740 7.740 8.428 -0.688 19309 550 1 8 . 1 1 33 33 GLY H H 33 8.110 8.110 8.636 -0.526 19309 551 1 8 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.577 -0.217 19309 552 1 8 . 1 1 34 34 LEU H H 34 7.890 7.890 7.602 0.288 19309 553 1 8 . 1 1 35 35 MET HA H 35 4.390 4.390 4.628 -0.238 19309 554 1 8 . 1 1 35 35 MET H H 35 8.180 8.180 8.590 -0.410 19309 555 1 8 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.196 -0.016 19309 556 1 8 . 1 1 36 36 VAL H H 36 7.660 7.660 8.617 -0.957 19309 557 1 8 . 1 1 37 37 GLY H H 37 8.220 8.220 8.390 -0.170 19309 558 1 8 . 1 1 38 38 GLY H H 38 8.050 8.050 8.169 -0.119 19309 559 1 8 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.157 0.193 19309 560 1 8 . 1 1 39 39 VAL H H 39 7.810 7.810 7.942 -0.132 19309 561 1 9 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.135 0.205 19309 562 1 9 . 1 1 2 2 ALA H H 2 8.600 8.600 8.132 0.468 19309 563 1 9 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.322 -0.082 19309 564 1 9 . 1 1 3 3 GLU H H 3 8.080 8.080 8.010 0.070 19309 565 1 9 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.582 -0.002 19309 566 1 9 . 1 1 4 4 PHE H H 4 7.920 7.920 8.781 -0.861 19309 567 1 9 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.575 -0.285 19309 568 1 9 . 1 1 5 5 ARG H H 5 8.310 8.310 8.738 -0.428 19309 569 1 9 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.769 -0.139 19309 570 1 9 . 1 1 6 6 HIS H H 6 8.300 8.300 8.684 -0.384 19309 571 1 9 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.689 -0.059 19309 572 1 9 . 1 1 7 7 ASP H H 7 8.420 8.420 8.281 0.139 19309 573 1 9 . 1 1 8 8 SER HA H 8 4.290 4.290 4.471 -0.181 19309 574 1 9 . 1 1 8 8 SER H H 8 8.100 8.100 8.424 -0.324 19309 575 1 9 . 1 1 9 9 GLY H H 9 8.070 8.070 8.530 -0.460 19309 576 1 9 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.574 -0.074 19309 577 1 9 . 1 1 10 10 TYR H H 10 8.010 8.010 8.599 -0.589 19309 578 1 9 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.352 -0.012 19309 579 1 9 . 1 1 11 11 GLU H H 11 8.230 8.230 8.532 -0.302 19309 580 1 9 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.468 -0.318 19309 581 1 9 . 1 1 12 12 VAL H H 12 7.780 7.780 8.137 -0.357 19309 582 1 9 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.423 0.207 19309 583 1 9 . 1 1 13 13 HIS H H 13 8.370 8.370 8.429 -0.059 19309 584 1 9 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.703 -0.073 19309 585 1 9 . 1 1 14 14 HIS H H 14 8.280 8.280 8.339 -0.059 19309 586 1 9 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.473 -0.203 19309 587 1 9 . 1 1 15 15 GLN H H 15 8.300 8.300 8.795 -0.495 19309 588 1 9 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.522 -0.242 19309 589 1 9 . 1 1 16 16 LYS H H 16 8.240 8.240 8.802 -0.562 19309 590 1 9 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.574 -0.224 19309 591 1 9 . 1 1 17 17 LEU H H 17 8.020 8.020 7.804 0.216 19309 592 1 9 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.123 -0.013 19309 593 1 9 . 1 1 18 18 VAL H H 18 7.740 7.740 8.460 -0.720 19309 594 1 9 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.504 0.046 19309 595 1 9 . 1 1 19 19 PHE H H 19 7.930 7.930 8.002 -0.072 19309 596 1 9 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.793 -0.203 19309 597 1 9 . 1 1 20 20 PHE H H 20 8.120 8.120 7.765 0.355 19309 598 1 9 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.359 -0.009 19309 599 1 9 . 1 1 21 21 ALA H H 21 8.190 8.190 8.816 -0.626 19309 600 1 9 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.496 -0.166 19309 601 1 9 . 1 1 22 22 GLU H H 22 8.030 8.030 7.886 0.144 19309 602 1 9 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.622 0.008 19309 603 1 9 . 1 1 23 23 ASP H H 23 8.280 8.280 8.534 -0.254 19309 604 1 9 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.289 -0.109 19309 605 1 9 . 1 1 24 24 VAL H H 24 7.680 7.680 7.824 -0.144 19309 606 1 9 . 1 1 25 25 GLY H H 25 8.150 8.150 8.347 -0.197 19309 607 1 9 . 1 1 26 26 SER HA H 26 4.380 4.380 4.365 0.015 19309 608 1 9 . 1 1 26 26 SER H H 26 7.970 7.970 8.441 -0.471 19309 609 1 9 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.562 0.018 19309 610 1 9 . 1 1 27 27 ASN H H 27 8.270 8.270 8.562 -0.292 19309 611 1 9 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.521 -0.341 19309 612 1 9 . 1 1 28 28 LYS H H 28 8.000 8.000 8.013 -0.013 19309 613 1 9 . 1 1 29 29 GLY H H 29 8.150 8.150 8.715 -0.565 19309 614 1 9 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.616 -0.256 19309 615 1 9 . 1 1 30 30 ALA H H 30 7.890 7.890 8.119 -0.229 19309 616 1 9 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.302 -0.112 19309 617 1 9 . 1 1 31 31 ILE H H 31 7.920 7.920 8.139 -0.219 19309 618 1 9 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.574 -0.384 19309 619 1 9 . 1 1 32 32 ILE H H 32 7.740 7.740 8.227 -0.487 19309 620 1 9 . 1 1 33 33 GLY H H 33 8.110 8.110 8.605 -0.495 19309 621 1 9 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.833 -0.473 19309 622 1 9 . 1 1 34 34 LEU H H 34 7.890 7.890 7.966 -0.076 19309 623 1 9 . 1 1 35 35 MET HA H 35 4.390 4.390 4.618 -0.228 19309 624 1 9 . 1 1 35 35 MET H H 35 8.180 8.180 8.447 -0.267 19309 625 1 9 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.223 -0.043 19309 626 1 9 . 1 1 36 36 VAL H H 36 7.660 7.660 8.660 -1.000 19309 627 1 9 . 1 1 37 37 GLY H H 37 8.220 8.220 8.791 -0.571 19309 628 1 9 . 1 1 38 38 GLY H H 38 8.050 8.050 8.479 -0.429 19309 629 1 9 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.375 -0.025 19309 630 1 9 . 1 1 39 39 VAL H H 39 7.810 7.810 8.099 -0.289 19309 631 1 10 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.198 0.142 19309 632 1 10 . 1 1 2 2 ALA H H 2 8.600 8.600 8.089 0.511 19309 633 1 10 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.293 -0.053 19309 634 1 10 . 1 1 3 3 GLU H H 3 8.080 8.080 8.002 0.078 19309 635 1 10 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.485 0.095 19309 636 1 10 . 1 1 4 4 PHE H H 4 7.920 7.920 8.528 -0.608 19309 637 1 10 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.491 -0.201 19309 638 1 10 . 1 1 5 5 ARG H H 5 8.310 8.310 8.601 -0.291 19309 639 1 10 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.690 -0.060 19309 640 1 10 . 1 1 6 6 HIS H H 6 8.300 8.300 8.747 -0.447 19309 641 1 10 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.605 0.025 19309 642 1 10 . 1 1 7 7 ASP H H 7 8.420 8.420 8.911 -0.491 19309 643 1 10 . 1 1 8 8 SER HA H 8 4.290 4.290 4.565 -0.275 19309 644 1 10 . 1 1 8 8 SER H H 8 8.100 8.100 8.001 0.099 19309 645 1 10 . 1 1 9 9 GLY H H 9 8.070 8.070 8.115 -0.045 19309 646 1 10 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.613 -0.113 19309 647 1 10 . 1 1 10 10 TYR H H 10 8.010 8.010 8.400 -0.390 19309 648 1 10 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.617 -0.277 19309 649 1 10 . 1 1 11 11 GLU H H 11 8.230 8.230 8.818 -0.588 19309 650 1 10 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.404 -0.254 19309 651 1 10 . 1 1 12 12 VAL H H 12 7.780 7.780 8.589 -0.809 19309 652 1 10 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.453 0.177 19309 653 1 10 . 1 1 13 13 HIS H H 13 8.370 8.370 8.461 -0.091 19309 654 1 10 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.577 0.053 19309 655 1 10 . 1 1 14 14 HIS H H 14 8.280 8.280 7.571 0.709 19309 656 1 10 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.294 -0.024 19309 657 1 10 . 1 1 15 15 GLN H H 15 8.300 8.300 8.258 0.042 19309 658 1 10 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.419 -0.139 19309 659 1 10 . 1 1 16 16 LYS H H 16 8.240 8.240 8.666 -0.426 19309 660 1 10 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.517 -0.167 19309 661 1 10 . 1 1 17 17 LEU H H 17 8.020 8.020 7.810 0.210 19309 662 1 10 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.095 0.015 19309 663 1 10 . 1 1 18 18 VAL H H 18 7.740 7.740 8.098 -0.358 19309 664 1 10 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.619 -0.069 19309 665 1 10 . 1 1 19 19 PHE H H 19 7.930 7.930 7.630 0.300 19309 666 1 10 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.641 -0.051 19309 667 1 10 . 1 1 20 20 PHE H H 20 8.120 8.120 8.344 -0.224 19309 668 1 10 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.521 -0.171 19309 669 1 10 . 1 1 21 21 ALA H H 21 8.190 8.190 8.740 -0.550 19309 670 1 10 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.413 -0.083 19309 671 1 10 . 1 1 22 22 GLU H H 22 8.030 8.030 8.187 -0.157 19309 672 1 10 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.682 -0.052 19309 673 1 10 . 1 1 23 23 ASP H H 23 8.280 8.280 8.617 -0.337 19309 674 1 10 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.409 -0.229 19309 675 1 10 . 1 1 24 24 VAL H H 24 7.680 7.680 7.875 -0.195 19309 676 1 10 . 1 1 25 25 GLY H H 25 8.150 8.150 8.437 -0.287 19309 677 1 10 . 1 1 26 26 SER HA H 26 4.380 4.380 4.531 -0.151 19309 678 1 10 . 1 1 26 26 SER H H 26 7.970 7.970 8.337 -0.367 19309 679 1 10 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.745 -0.165 19309 680 1 10 . 1 1 27 27 ASN H H 27 8.270 8.270 7.911 0.359 19309 681 1 10 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.555 -0.375 19309 682 1 10 . 1 1 28 28 LYS H H 28 8.000 8.000 8.117 -0.117 19309 683 1 10 . 1 1 29 29 GLY H H 29 8.150 8.150 8.686 -0.536 19309 684 1 10 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.462 -0.102 19309 685 1 10 . 1 1 30 30 ALA H H 30 7.890 7.890 7.777 0.113 19309 686 1 10 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.324 -0.134 19309 687 1 10 . 1 1 31 31 ILE H H 31 7.920 7.920 8.123 -0.203 19309 688 1 10 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.342 -0.152 19309 689 1 10 . 1 1 32 32 ILE H H 32 7.740 7.740 8.544 -0.804 19309 690 1 10 . 1 1 33 33 GLY H H 33 8.110 8.110 8.414 -0.304 19309 691 1 10 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.394 -0.034 19309 692 1 10 . 1 1 34 34 LEU H H 34 7.890 7.890 8.176 -0.286 19309 693 1 10 . 1 1 35 35 MET HA H 35 4.390 4.390 4.644 -0.254 19309 694 1 10 . 1 1 35 35 MET H H 35 8.180 8.180 8.407 -0.227 19309 695 1 10 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.311 -0.131 19309 696 1 10 . 1 1 36 36 VAL H H 36 7.660 7.660 8.665 -1.005 19309 697 1 10 . 1 1 37 37 GLY H H 37 8.220 8.220 8.530 -0.310 19309 698 1 10 . 1 1 38 38 GLY H H 38 8.050 8.050 8.035 0.015 19309 699 1 10 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.595 -0.245 19309 700 1 10 . 1 1 39 39 VAL H H 39 7.810 7.810 8.093 -0.283 19309 701 1 11 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.437 -0.097 19309 702 1 11 . 1 1 2 2 ALA H H 2 8.600 8.600 8.395 0.205 19309 703 1 11 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.407 -0.167 19309 704 1 11 . 1 1 3 3 GLU H H 3 8.080 8.080 8.498 -0.418 19309 705 1 11 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.534 0.046 19309 706 1 11 . 1 1 4 4 PHE H H 4 7.920 7.920 8.792 -0.872 19309 707 1 11 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.487 -0.197 19309 708 1 11 . 1 1 5 5 ARG H H 5 8.310 8.310 8.617 -0.307 19309 709 1 11 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.668 -0.038 19309 710 1 11 . 1 1 6 6 HIS H H 6 8.300 8.300 8.664 -0.364 19309 711 1 11 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.781 -0.151 19309 712 1 11 . 1 1 7 7 ASP H H 7 8.420 8.420 8.624 -0.204 19309 713 1 11 . 1 1 8 8 SER HA H 8 4.290 4.290 4.461 -0.171 19309 714 1 11 . 1 1 8 8 SER H H 8 8.100 8.100 8.793 -0.693 19309 715 1 11 . 1 1 9 9 GLY H H 9 8.070 8.070 7.701 0.369 19309 716 1 11 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.750 -0.250 19309 717 1 11 . 1 1 10 10 TYR H H 10 8.010 8.010 8.375 -0.365 19309 718 1 11 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.600 -0.260 19309 719 1 11 . 1 1 11 11 GLU H H 11 8.230 8.230 8.653 -0.423 19309 720 1 11 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.375 -0.225 19309 721 1 11 . 1 1 12 12 VAL H H 12 7.780 7.780 8.009 -0.229 19309 722 1 11 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.402 0.228 19309 723 1 11 . 1 1 13 13 HIS H H 13 8.370 8.370 8.593 -0.223 19309 724 1 11 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.617 0.013 19309 725 1 11 . 1 1 14 14 HIS H H 14 8.280 8.280 8.317 -0.037 19309 726 1 11 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.426 -0.156 19309 727 1 11 . 1 1 15 15 GLN H H 15 8.300 8.300 8.637 -0.337 19309 728 1 11 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.452 -0.172 19309 729 1 11 . 1 1 16 16 LYS H H 16 8.240 8.240 8.759 -0.519 19309 730 1 11 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.547 -0.197 19309 731 1 11 . 1 1 17 17 LEU H H 17 8.020 8.020 7.781 0.239 19309 732 1 11 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.052 0.058 19309 733 1 11 . 1 1 18 18 VAL H H 18 7.740 7.740 8.228 -0.488 19309 734 1 11 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.579 -0.029 19309 735 1 11 . 1 1 19 19 PHE H H 19 7.930 7.930 7.796 0.134 19309 736 1 11 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.580 0.010 19309 737 1 11 . 1 1 20 20 PHE H H 20 8.120 8.120 8.407 -0.287 19309 738 1 11 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.503 -0.153 19309 739 1 11 . 1 1 21 21 ALA H H 21 8.190 8.190 8.838 -0.648 19309 740 1 11 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.388 -0.058 19309 741 1 11 . 1 1 22 22 GLU H H 22 8.030 8.030 8.012 0.018 19309 742 1 11 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.604 0.026 19309 743 1 11 . 1 1 23 23 ASP H H 23 8.280 8.280 8.662 -0.382 19309 744 1 11 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.256 -0.076 19309 745 1 11 . 1 1 24 24 VAL H H 24 7.680 7.680 7.959 -0.279 19309 746 1 11 . 1 1 25 25 GLY H H 25 8.150 8.150 8.382 -0.232 19309 747 1 11 . 1 1 26 26 SER HA H 26 4.380 4.380 4.745 -0.365 19309 748 1 11 . 1 1 26 26 SER H H 26 7.970 7.970 8.045 -0.075 19309 749 1 11 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.660 -0.080 19309 750 1 11 . 1 1 27 27 ASN H H 27 8.270 8.270 8.694 -0.424 19309 751 1 11 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.435 -0.255 19309 752 1 11 . 1 1 28 28 LYS H H 28 8.000 8.000 8.170 -0.170 19309 753 1 11 . 1 1 29 29 GLY H H 29 8.150 8.150 8.440 -0.289 19309 754 1 11 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.583 -0.223 19309 755 1 11 . 1 1 30 30 ALA H H 30 7.890 7.890 8.038 -0.148 19309 756 1 11 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.268 -0.078 19309 757 1 11 . 1 1 31 31 ILE H H 31 7.920 7.920 8.401 -0.481 19309 758 1 11 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.272 -0.082 19309 759 1 11 . 1 1 32 32 ILE H H 32 7.740 7.740 8.343 -0.603 19309 760 1 11 . 1 1 33 33 GLY H H 33 8.110 8.110 8.485 -0.375 19309 761 1 11 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.448 -0.088 19309 762 1 11 . 1 1 34 34 LEU H H 34 7.890 7.890 8.055 -0.165 19309 763 1 11 . 1 1 35 35 MET HA H 35 4.390 4.390 4.615 -0.225 19309 764 1 11 . 1 1 35 35 MET H H 35 8.180 8.180 8.658 -0.478 19309 765 1 11 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.287 -0.107 19309 766 1 11 . 1 1 36 36 VAL H H 36 7.660 7.660 8.848 -1.188 19309 767 1 11 . 1 1 37 37 GLY H H 37 8.220 8.220 8.691 -0.471 19309 768 1 11 . 1 1 38 38 GLY H H 38 8.050 8.050 8.321 -0.271 19309 769 1 11 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.606 -0.256 19309 770 1 11 . 1 1 39 39 VAL H H 39 7.810 7.810 7.989 -0.179 19309 771 1 12 . 1 1 2 2 ALA HA H 2 4.340 4.340 4.611 -0.271 19309 772 1 12 . 1 1 2 2 ALA H H 2 8.600 8.600 8.102 0.498 19309 773 1 12 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.428 -0.188 19309 774 1 12 . 1 1 3 3 GLU H H 3 8.080 8.080 8.266 -0.186 19309 775 1 12 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.683 -0.103 19309 776 1 12 . 1 1 4 4 PHE H H 4 7.920 7.920 8.392 -0.472 19309 777 1 12 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.692 -0.402 19309 778 1 12 . 1 1 5 5 ARG H H 5 8.310 8.310 8.427 -0.117 19309 779 1 12 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.847 -0.217 19309 780 1 12 . 1 1 6 6 HIS H H 6 8.300 8.300 8.473 -0.173 19309 781 1 12 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.727 -0.097 19309 782 1 12 . 1 1 7 7 ASP H H 7 8.420 8.420 8.538 -0.118 19309 783 1 12 . 1 1 8 8 SER HA H 8 4.290 4.290 4.448 -0.158 19309 784 1 12 . 1 1 8 8 SER H H 8 8.100 8.100 8.449 -0.349 19309 785 1 12 . 1 1 9 9 GLY H H 9 8.070 8.070 8.879 -0.809 19309 786 1 12 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.760 -0.260 19309 787 1 12 . 1 1 10 10 TYR H H 10 8.010 8.010 7.797 0.213 19309 788 1 12 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.589 -0.249 19309 789 1 12 . 1 1 11 11 GLU H H 11 8.230 8.230 8.873 -0.643 19309 790 1 12 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.446 -0.296 19309 791 1 12 . 1 1 12 12 VAL H H 12 7.780 7.780 8.140 -0.360 19309 792 1 12 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.490 0.140 19309 793 1 12 . 1 1 13 13 HIS H H 13 8.370 8.370 8.691 -0.321 19309 794 1 12 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.714 -0.084 19309 795 1 12 . 1 1 14 14 HIS H H 14 8.280 8.280 8.049 0.231 19309 796 1 12 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.380 -0.110 19309 797 1 12 . 1 1 15 15 GLN H H 15 8.300 8.300 8.756 -0.456 19309 798 1 12 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.541 -0.261 19309 799 1 12 . 1 1 16 16 LYS H H 16 8.240 8.240 8.794 -0.554 19309 800 1 12 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.624 -0.274 19309 801 1 12 . 1 1 17 17 LEU H H 17 8.020 8.020 7.918 0.102 19309 802 1 12 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.173 -0.063 19309 803 1 12 . 1 1 18 18 VAL H H 18 7.740 7.740 8.146 -0.406 19309 804 1 12 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.534 0.016 19309 805 1 12 . 1 1 19 19 PHE H H 19 7.930 7.930 8.102 -0.172 19309 806 1 12 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.543 0.047 19309 807 1 12 . 1 1 20 20 PHE H H 20 8.120 8.120 7.968 0.152 19309 808 1 12 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.547 -0.197 19309 809 1 12 . 1 1 21 21 ALA H H 21 8.190 8.190 8.757 -0.567 19309 810 1 12 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.281 0.049 19309 811 1 12 . 1 1 22 22 GLU H H 22 8.030 8.030 8.634 -0.604 19309 812 1 12 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.679 -0.049 19309 813 1 12 . 1 1 23 23 ASP H H 23 8.280 8.280 8.066 0.214 19309 814 1 12 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.381 -0.201 19309 815 1 12 . 1 1 24 24 VAL H H 24 7.680 7.680 8.350 -0.670 19309 816 1 12 . 1 1 25 25 GLY H H 25 8.150 8.150 8.373 -0.223 19309 817 1 12 . 1 1 26 26 SER HA H 26 4.380 4.380 4.431 -0.051 19309 818 1 12 . 1 1 26 26 SER H H 26 7.970 7.970 7.942 0.028 19309 819 1 12 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.724 -0.144 19309 820 1 12 . 1 1 27 27 ASN H H 27 8.270 8.270 8.675 -0.405 19309 821 1 12 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.662 -0.482 19309 822 1 12 . 1 1 28 28 LYS H H 28 8.000 8.000 7.979 0.021 19309 823 1 12 . 1 1 29 29 GLY H H 29 8.150 8.150 8.864 -0.714 19309 824 1 12 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.573 -0.213 19309 825 1 12 . 1 1 30 30 ALA H H 30 7.890 7.890 8.094 -0.204 19309 826 1 12 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.409 -0.219 19309 827 1 12 . 1 1 31 31 ILE H H 31 7.920 7.920 8.368 -0.448 19309 828 1 12 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.461 -0.271 19309 829 1 12 . 1 1 32 32 ILE H H 32 7.740 7.740 8.416 -0.676 19309 830 1 12 . 1 1 33 33 GLY H H 33 8.110 8.110 8.654 -0.544 19309 831 1 12 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.564 -0.204 19309 832 1 12 . 1 1 34 34 LEU H H 34 7.890 7.890 7.772 0.118 19309 833 1 12 . 1 1 35 35 MET HA H 35 4.390 4.390 4.622 -0.232 19309 834 1 12 . 1 1 35 35 MET H H 35 8.180 8.180 8.640 -0.460 19309 835 1 12 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.227 -0.047 19309 836 1 12 . 1 1 36 36 VAL H H 36 7.660 7.660 8.687 -1.027 19309 837 1 12 . 1 1 37 37 GLY H H 37 8.220 8.220 8.585 -0.365 19309 838 1 12 . 1 1 38 38 GLY H H 38 8.050 8.050 8.354 -0.304 19309 839 1 12 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.309 0.041 19309 840 1 12 . 1 1 39 39 VAL H H 39 7.810 7.810 8.292 -0.482 19309 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 19309 2 1 1 "Average Difference" HA 44 0.208 0.144 0.151 19309 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19309 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19309 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19309 6 1 1 "Average Difference" HN 38 0.385 0.274 0.273 19309 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19309 8 1 2 "Average Difference" HA 44 0.210 0.143 0.155 19309 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19309 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19309 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19309 12 1 2 "Average Difference" HN 38 0.426 0.233 0.362 19309 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19309 14 1 3 "Average Difference" HA 44 0.232 0.180 0.148 19309 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19309 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19309 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19309 18 1 3 "Average Difference" HN 38 0.467 0.375 0.282 19309 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19309 20 1 4 "Average Difference" HA 44 0.208 0.146 0.151 19309 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19309 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19309 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19309 24 1 4 "Average Difference" HN 38 0.417 0.295 0.299 19309 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19309 26 1 5 "Average Difference" HA 44 0.201 0.108 0.171 19309 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19309 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19309 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19309 30 1 5 "Average Difference" HN 38 0.421 0.272 0.326 19309 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19309 32 1 6 "Average Difference" HA 44 0.251 0.187 0.169 19309 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19309 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19309 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19309 36 1 6 "Average Difference" HN 38 0.427 0.301 0.307 19309 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19309 38 1 7 "Average Difference" HA 44 0.208 0.156 0.139 19309 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19309 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19309 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19309 42 1 7 "Average Difference" HN 38 0.475 0.331 0.345 19309 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19309 44 1 8 "Average Difference" HA 44 0.216 0.162 0.145 19309 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19309 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19309 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19309 48 1 8 "Average Difference" HN 38 0.415 0.292 0.299 19309 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19309 50 1 9 "Average Difference" HA 44 0.219 0.143 0.167 19309 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19309 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19309 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19309 54 1 9 "Average Difference" HN 38 0.425 0.287 0.318 19309 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19309 56 1 10 "Average Difference" HA 44 0.219 0.157 0.154 19309 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19309 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19309 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19309 60 1 10 "Average Difference" HN 38 0.416 0.218 0.359 19309 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19309 62 1 11 "Average Difference" HA 44 0.212 0.163 0.137 19309 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19309 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19309 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19309 66 1 11 "Average Difference" HN 38 0.423 0.307 0.295 19309 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19309 68 1 12 "Average Difference" HA 44 0.229 0.173 0.152 19309 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19309 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19309 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19309 72 1 12 "Average Difference" HN 38 0.443 0.296 0.334 19309 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 19309 _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 ALA HA H 2 4.340 4.340 4.388 -0.048 19309 2 1 . 1 1 2 2 ALA H H 2 8.600 8.600 8.187 0.413 19309 3 1 . 1 1 3 3 GLU HA H 3 4.240 4.240 4.419 -0.179 19309 4 1 . 1 1 3 3 GLU H H 3 8.080 8.080 8.256 -0.176 19309 5 1 . 1 1 4 4 PHE HA H 4 4.580 4.580 4.648 -0.068 19309 6 1 . 1 1 4 4 PHE H H 4 7.920 7.920 8.623 -0.703 19309 7 1 . 1 1 5 5 ARG HA H 5 4.290 4.290 4.618 -0.328 19309 8 1 . 1 1 5 5 ARG H H 5 8.310 8.310 8.645 -0.335 19309 9 1 . 1 1 6 6 HIS HA H 6 4.630 4.630 4.694 -0.064 19309 10 1 . 1 1 6 6 HIS H H 6 8.300 8.300 8.669 -0.369 19309 11 1 . 1 1 7 7 ASP HA H 7 4.630 4.630 4.648 -0.018 19309 12 1 . 1 1 7 7 ASP H H 7 8.420 8.420 8.567 -0.147 19309 13 1 . 1 1 8 8 SER HA H 8 4.290 4.290 4.562 -0.272 19309 14 1 . 1 1 8 8 SER H H 8 8.100 8.100 8.270 -0.169 19309 15 1 . 1 1 9 9 GLY H H 9 8.070 8.070 8.367 -0.298 19309 16 1 . 1 1 10 10 TYR HA H 10 4.500 4.500 4.683 -0.183 19309 17 1 . 1 1 10 10 TYR H H 10 8.010 8.010 8.265 -0.255 19309 18 1 . 1 1 11 11 GLU HA H 11 4.340 4.340 4.555 -0.215 19309 19 1 . 1 1 11 11 GLU H H 11 8.230 8.230 8.772 -0.542 19309 20 1 . 1 1 12 12 VAL HA H 12 4.150 4.150 4.464 -0.314 19309 21 1 . 1 1 12 12 VAL H H 12 7.780 7.780 8.251 -0.471 19309 22 1 . 1 1 13 13 HIS HA H 13 4.630 4.630 4.460 0.170 19309 23 1 . 1 1 13 13 HIS H H 13 8.370 8.370 8.620 -0.250 19309 24 1 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.689 -0.059 19309 25 1 . 1 1 14 14 HIS H H 14 8.280 8.280 8.221 0.059 19309 26 1 . 1 1 15 15 GLN HA H 15 4.270 4.270 4.420 -0.150 19309 27 1 . 1 1 15 15 GLN H H 15 8.300 8.300 8.638 -0.338 19309 28 1 . 1 1 16 16 LYS HA H 16 4.280 4.280 4.481 -0.201 19309 29 1 . 1 1 16 16 LYS H H 16 8.240 8.240 8.725 -0.485 19309 30 1 . 1 1 17 17 LEU HA H 17 4.350 4.350 4.563 -0.213 19309 31 1 . 1 1 17 17 LEU H H 17 8.020 8.020 7.890 0.130 19309 32 1 . 1 1 18 18 VAL HA H 18 4.110 4.110 4.170 -0.060 19309 33 1 . 1 1 18 18 VAL H H 18 7.740 7.740 8.202 -0.462 19309 34 1 . 1 1 19 19 PHE HA H 19 4.550 4.550 4.553 -0.003 19309 35 1 . 1 1 19 19 PHE H H 19 7.930 7.930 8.010 -0.080 19309 36 1 . 1 1 20 20 PHE HA H 20 4.590 4.590 4.605 -0.015 19309 37 1 . 1 1 20 20 PHE H H 20 8.120 8.120 8.079 0.041 19309 38 1 . 1 1 21 21 ALA HA H 21 4.350 4.350 4.445 -0.095 19309 39 1 . 1 1 21 21 ALA H H 21 8.190 8.190 8.656 -0.466 19309 40 1 . 1 1 22 22 GLU HA H 22 4.330 4.330 4.357 -0.027 19309 41 1 . 1 1 22 22 GLU H H 22 8.030 8.030 8.393 -0.363 19309 42 1 . 1 1 23 23 ASP HA H 23 4.630 4.630 4.709 -0.079 19309 43 1 . 1 1 23 23 ASP H H 23 8.280 8.280 8.375 -0.095 19309 44 1 . 1 1 24 24 VAL HA H 24 4.180 4.180 4.323 -0.143 19309 45 1 . 1 1 24 24 VAL H H 24 7.680 7.680 8.146 -0.466 19309 46 1 . 1 1 25 25 GLY H H 25 8.150 8.150 8.495 -0.345 19309 47 1 . 1 1 26 26 SER HA H 26 4.380 4.380 4.520 -0.140 19309 48 1 . 1 1 26 26 SER H H 26 7.970 7.970 8.153 -0.183 19309 49 1 . 1 1 27 27 ASN HA H 27 4.580 4.580 4.702 -0.122 19309 50 1 . 1 1 27 27 ASN H H 27 8.270 8.270 8.600 -0.330 19309 51 1 . 1 1 28 28 LYS HA H 28 4.180 4.180 4.492 -0.312 19309 52 1 . 1 1 28 28 LYS H H 28 8.000 8.000 8.127 -0.127 19309 53 1 . 1 1 29 29 GLY H H 29 8.150 8.150 8.610 -0.459 19309 54 1 . 1 1 30 30 ALA HA H 30 4.360 4.360 4.616 -0.256 19309 55 1 . 1 1 30 30 ALA H H 30 7.890 7.890 8.068 -0.178 19309 56 1 . 1 1 31 31 ILE HA H 31 4.190 4.190 4.340 -0.150 19309 57 1 . 1 1 31 31 ILE H H 31 7.920 7.920 8.353 -0.433 19309 58 1 . 1 1 32 32 ILE HA H 32 4.190 4.190 4.446 -0.256 19309 59 1 . 1 1 32 32 ILE H H 32 7.740 7.740 8.319 -0.579 19309 60 1 . 1 1 33 33 GLY H H 33 8.110 8.110 8.474 -0.364 19309 61 1 . 1 1 34 34 LEU HA H 34 4.360 4.360 4.599 -0.239 19309 62 1 . 1 1 34 34 LEU H H 34 7.890 7.890 7.974 -0.084 19309 63 1 . 1 1 35 35 MET HA H 35 4.390 4.390 4.679 -0.289 19309 64 1 . 1 1 35 35 MET H H 35 8.180 8.180 8.513 -0.333 19309 65 1 . 1 1 36 36 VAL HA H 36 4.180 4.180 4.278 -0.098 19309 66 1 . 1 1 36 36 VAL H H 36 7.660 7.660 8.636 -0.976 19309 67 1 . 1 1 37 37 GLY H H 37 8.220 8.220 8.500 -0.280 19309 68 1 . 1 1 38 38 GLY H H 38 8.050 8.050 8.246 -0.196 19309 69 1 . 1 1 39 39 VAL HA H 39 4.350 4.350 4.444 -0.094 19309 70 1 . 1 1 39 39 VAL H H 39 7.810 7.810 8.141 -0.331 19309 stop_ save_