data_18542 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18542 _Entry.PDB_ID 2LUV 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 18542 _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 VAL HA H 2 3.971 3.971 4.476 -0.505 18542 2 1 1 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.625 1.765 18542 3 1 1 . 1 1 2 2 VAL H H 2 8.651 8.651 8.539 0.112 18542 4 1 1 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.900 3.920 18542 5 1 1 . 1 1 3 3 GLY H H 3 9.014 9.014 8.368 0.646 18542 6 1 1 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.544 -0.256 18542 7 1 1 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.838 3.052 18542 8 1 1 . 1 1 4 4 PHE H H 4 7.829 7.829 7.910 -0.081 18542 9 1 1 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.358 -0.245 18542 10 1 1 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.391 -0.491 18542 11 1 1 . 1 1 5 5 PHE H H 5 7.706 7.706 8.278 -0.572 18542 12 1 1 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.060 -0.044 18542 13 1 1 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.043 -0.393 18542 14 1 1 . 1 1 6 6 LYS H H 6 8.272 8.272 7.959 0.313 18542 15 1 1 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.459 -0.379 18542 16 1 1 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.503 1.207 18542 17 1 1 . 1 1 7 7 ARG H H 7 7.908 7.908 7.414 0.494 18542 18 1 1 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.407 -0.327 18542 19 1 1 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.021 0.629 18542 20 1 1 . 1 1 8 8 GLN H H 8 7.935 7.935 8.463 -0.528 18542 21 1 1 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.245 -0.169 18542 22 1 1 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.865 7.695 18542 23 1 1 . 1 1 9 9 TYR H H 9 8.270 8.270 8.885 -0.615 18542 24 1 1 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.122 -0.300 18542 25 1 1 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.837 3.863 18542 26 1 1 . 1 1 10 10 LYS H H 10 7.938 7.938 7.903 0.035 18542 27 1 1 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.315 -0.297 18542 28 1 1 . 1 1 11 11 GLU CA C 11 58.650 58.650 59.072 -0.422 18542 29 1 1 . 1 1 11 11 GLU H H 11 7.906 7.906 7.731 0.175 18542 30 1 1 . 1 1 12 12 MET HA H 12 4.194 4.194 4.312 -0.118 18542 31 1 1 . 1 1 12 12 MET CA C 12 56.900 56.900 56.749 0.151 18542 32 1 1 . 1 1 12 12 MET H H 12 8.022 8.022 8.211 -0.189 18542 33 1 1 . 1 1 13 13 MET HA H 13 4.194 4.194 4.218 -0.024 18542 34 1 1 . 1 1 13 13 MET CA C 13 56.900 56.900 57.842 -0.942 18542 35 1 1 . 1 1 13 13 MET H H 13 8.022 8.022 7.865 0.157 18542 36 1 1 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.007 0.168 18542 37 1 1 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.985 -1.585 18542 38 1 1 . 1 1 14 14 GLU H H 14 7.841 7.841 8.093 -0.252 18542 39 1 1 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.184 -0.003 18542 40 1 1 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.289 -0.949 18542 41 1 1 . 1 1 15 15 GLU H H 15 8.095 8.095 7.855 0.240 18542 42 1 1 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.403 -0.167 18542 43 1 1 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.329 -0.379 18542 44 1 1 . 1 1 16 16 ALA H H 16 8.184 8.184 7.676 0.508 18542 45 1 1 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.622 0.008 18542 46 1 1 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.591 1.559 18542 47 1 1 . 1 1 17 17 ASN H H 17 8.204 8.204 7.698 0.506 18542 48 1 1 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.516 0.874 18542 49 1 1 . 1 1 18 18 GLY H H 18 8.185 8.185 7.859 0.326 18542 50 1 1 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.047 0.284 18542 51 1 1 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.567 -2.877 18542 52 1 1 . 1 1 19 19 GLN H H 19 8.095 8.095 8.059 0.036 18542 53 1 1 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.235 -0.095 18542 54 1 1 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.740 -3.240 18542 55 1 1 . 1 1 20 20 ILE H H 20 8.072 8.072 7.998 0.074 18542 56 1 1 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.803 -0.215 18542 57 1 1 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.742 0.688 18542 58 1 1 . 1 1 21 21 ALA H H 21 8.363 8.363 7.361 1.002 18542 59 1 1 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.312 0.075 18542 60 1 1 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.068 0.154 18542 61 1 1 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.828 -1.038 18542 62 1 1 . 1 1 23 23 GLU H H 23 8.572 8.572 8.148 0.424 18542 63 1 1 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.449 0.253 18542 64 1 1 . 1 1 24 24 ASN H H 24 8.424 8.424 7.572 0.852 18542 65 1 1 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.052 0.338 18542 66 1 1 . 1 1 25 25 GLY H H 25 8.334 8.334 8.347 -0.013 18542 67 1 1 . 1 1 26 26 THR HA H 26 4.319 4.319 4.297 0.022 18542 68 1 1 . 1 1 26 26 THR CA C 26 61.830 61.830 63.925 -2.095 18542 69 1 1 . 1 1 26 26 THR H H 26 8.025 8.025 8.249 -0.224 18542 70 1 1 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.604 -0.211 18542 71 1 1 . 1 1 27 27 GLN CA C 27 55.580 55.580 54.579 1.001 18542 72 1 1 . 1 1 27 27 GLN H H 27 8.415 8.415 7.744 0.671 18542 73 1 1 . 1 1 28 28 THR HA H 28 4.503 4.503 4.472 0.031 18542 74 1 1 . 1 1 28 28 THR CA C 28 62.760 62.760 62.137 0.623 18542 75 1 1 . 1 1 28 28 THR H H 28 8.260 8.260 7.983 0.277 18542 76 1 1 . 1 1 30 30 SER HA H 30 4.703 4.703 4.343 0.360 18542 77 1 1 . 1 1 30 30 SER H H 30 8.404 8.404 8.285 0.119 18542 78 1 1 . 1 1 33 33 SER HA H 33 4.428 4.428 4.339 0.089 18542 79 1 1 . 1 1 33 33 SER CA C 33 63.040 63.040 60.371 2.668 18542 80 1 1 . 1 1 33 33 SER H H 33 8.322 8.322 8.185 0.137 18542 81 1 1 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.349 -0.034 18542 82 1 1 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.868 -0.298 18542 83 1 1 . 1 1 34 34 GLU H H 34 8.404 8.404 7.614 0.790 18542 84 1 2 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.481 -0.510 18542 85 1 2 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.624 1.766 18542 86 1 2 . 1 1 2 2 VAL H H 2 8.651 8.651 8.536 0.115 18542 87 1 2 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.864 3.956 18542 88 1 2 . 1 1 3 3 GLY H H 3 9.014 9.014 8.369 0.645 18542 89 1 2 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.554 -0.266 18542 90 1 2 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.891 2.999 18542 91 1 2 . 1 1 4 4 PHE H H 4 7.829 7.829 7.874 -0.045 18542 92 1 2 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.327 -0.214 18542 93 1 2 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.377 -0.477 18542 94 1 2 . 1 1 5 5 PHE H H 5 7.706 7.706 8.257 -0.551 18542 95 1 2 . 1 1 6 6 LYS HA H 6 4.016 4.016 3.997 0.019 18542 96 1 2 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.971 -1.321 18542 97 1 2 . 1 1 6 6 LYS H H 6 8.272 8.272 7.879 0.393 18542 98 1 2 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.446 -0.366 18542 99 1 2 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.552 1.158 18542 100 1 2 . 1 1 7 7 ARG H H 7 7.908 7.908 7.475 0.433 18542 101 1 2 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.315 -0.235 18542 102 1 2 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.293 0.357 18542 103 1 2 . 1 1 8 8 GLN H H 8 7.935 7.935 8.416 -0.481 18542 104 1 2 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.184 -0.108 18542 105 1 2 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.968 7.592 18542 106 1 2 . 1 1 9 9 TYR H H 9 8.270 8.270 8.722 -0.452 18542 107 1 2 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.140 -0.318 18542 108 1 2 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.823 3.877 18542 109 1 2 . 1 1 10 10 LYS H H 10 7.938 7.938 7.837 0.101 18542 110 1 2 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.169 -0.151 18542 111 1 2 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.993 -0.343 18542 112 1 2 . 1 1 11 11 GLU H H 11 7.906 7.906 7.718 0.188 18542 113 1 2 . 1 1 12 12 MET HA H 12 4.194 4.194 4.606 -0.412 18542 114 1 2 . 1 1 12 12 MET CA C 12 56.900 56.900 57.561 -0.661 18542 115 1 2 . 1 1 12 12 MET H H 12 8.022 8.022 8.203 -0.181 18542 116 1 2 . 1 1 13 13 MET HA H 13 4.194 4.194 4.200 -0.006 18542 117 1 2 . 1 1 13 13 MET CA C 13 56.900 56.900 58.118 -1.218 18542 118 1 2 . 1 1 13 13 MET H H 13 8.022 8.022 7.911 0.111 18542 119 1 2 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.079 0.096 18542 120 1 2 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.866 -1.466 18542 121 1 2 . 1 1 14 14 GLU H H 14 7.841 7.841 8.016 -0.175 18542 122 1 2 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.297 -0.116 18542 123 1 2 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.256 -0.916 18542 124 1 2 . 1 1 15 15 GLU H H 15 8.095 8.095 7.852 0.243 18542 125 1 2 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.392 -0.156 18542 126 1 2 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.261 -0.311 18542 127 1 2 . 1 1 16 16 ALA H H 16 8.184 8.184 7.716 0.468 18542 128 1 2 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.616 0.014 18542 129 1 2 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.695 1.455 18542 130 1 2 . 1 1 17 17 ASN H H 17 8.204 8.204 7.677 0.527 18542 131 1 2 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.513 0.877 18542 132 1 2 . 1 1 18 18 GLY H H 18 8.185 8.185 7.673 0.512 18542 133 1 2 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.039 0.292 18542 134 1 2 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.530 -2.840 18542 135 1 2 . 1 1 19 19 GLN H H 19 8.095 8.095 8.076 0.019 18542 136 1 2 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.236 -0.096 18542 137 1 2 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.726 -3.226 18542 138 1 2 . 1 1 20 20 ILE H H 20 8.072 8.072 7.997 0.075 18542 139 1 2 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.798 -0.210 18542 140 1 2 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.757 0.673 18542 141 1 2 . 1 1 21 21 ALA H H 21 8.363 8.363 7.359 1.004 18542 142 1 2 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.318 0.069 18542 143 1 2 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.077 0.145 18542 144 1 2 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.971 -1.181 18542 145 1 2 . 1 1 23 23 GLU H H 23 8.572 8.572 8.093 0.479 18542 146 1 2 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.391 0.311 18542 147 1 2 . 1 1 24 24 ASN H H 24 8.424 8.424 7.508 0.916 18542 148 1 2 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.032 0.358 18542 149 1 2 . 1 1 25 25 GLY H H 25 8.334 8.334 8.358 -0.024 18542 150 1 2 . 1 1 26 26 THR HA H 26 4.319 4.319 4.202 0.117 18542 151 1 2 . 1 1 26 26 THR CA C 26 61.830 61.830 64.546 -2.716 18542 152 1 2 . 1 1 26 26 THR H H 26 8.025 8.025 8.182 -0.157 18542 153 1 2 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.500 -0.107 18542 154 1 2 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.604 -0.024 18542 155 1 2 . 1 1 27 27 GLN H H 27 8.415 8.415 8.340 0.075 18542 156 1 2 . 1 1 28 28 THR HA H 28 4.503 4.503 4.356 0.147 18542 157 1 2 . 1 1 28 28 THR CA C 28 62.760 62.760 61.323 1.437 18542 158 1 2 . 1 1 28 28 THR H H 28 8.260 8.260 7.915 0.345 18542 159 1 2 . 1 1 30 30 SER HA H 30 4.703 4.703 4.397 0.306 18542 160 1 2 . 1 1 30 30 SER H H 30 8.404 8.404 8.173 0.231 18542 161 1 2 . 1 1 33 33 SER HA H 33 4.428 4.428 4.250 0.178 18542 162 1 2 . 1 1 33 33 SER CA C 33 63.040 63.040 59.842 3.198 18542 163 1 2 . 1 1 33 33 SER H H 33 8.322 8.322 8.417 -0.095 18542 164 1 2 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.334 -0.019 18542 165 1 2 . 1 1 34 34 GLU CA C 34 56.570 56.570 57.531 -0.961 18542 166 1 2 . 1 1 34 34 GLU H H 34 8.404 8.404 8.369 0.035 18542 167 1 3 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.447 -0.476 18542 168 1 3 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.347 2.043 18542 169 1 3 . 1 1 2 2 VAL H H 2 8.651 8.651 8.520 0.131 18542 170 1 3 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.754 4.066 18542 171 1 3 . 1 1 3 3 GLY H H 3 9.014 9.014 8.409 0.605 18542 172 1 3 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.576 -0.288 18542 173 1 3 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.834 3.056 18542 174 1 3 . 1 1 4 4 PHE H H 4 7.829 7.829 7.870 -0.041 18542 175 1 3 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.312 -0.199 18542 176 1 3 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.136 -0.236 18542 177 1 3 . 1 1 5 5 PHE H H 5 7.706 7.706 8.308 -0.602 18542 178 1 3 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.091 -0.075 18542 179 1 3 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.342 -0.692 18542 180 1 3 . 1 1 6 6 LYS H H 6 8.272 8.272 8.143 0.129 18542 181 1 3 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.558 -0.478 18542 182 1 3 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.758 1.952 18542 183 1 3 . 1 1 7 7 ARG H H 7 7.908 7.908 7.559 0.349 18542 184 1 3 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.238 -0.158 18542 185 1 3 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.441 0.209 18542 186 1 3 . 1 1 8 8 GLN H H 8 7.935 7.935 8.351 -0.416 18542 187 1 3 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.360 -0.284 18542 188 1 3 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.482 8.078 18542 189 1 3 . 1 1 9 9 TYR H H 9 8.270 8.270 8.746 -0.476 18542 190 1 3 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.201 -0.379 18542 191 1 3 . 1 1 10 10 LYS CA C 10 63.700 63.700 58.975 4.725 18542 192 1 3 . 1 1 10 10 LYS H H 10 7.938 7.938 7.812 0.126 18542 193 1 3 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.222 -0.204 18542 194 1 3 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.802 -0.152 18542 195 1 3 . 1 1 11 11 GLU H H 11 7.906 7.906 7.671 0.235 18542 196 1 3 . 1 1 12 12 MET HA H 12 4.194 4.194 4.370 -0.176 18542 197 1 3 . 1 1 12 12 MET CA C 12 56.900 56.900 58.498 -1.598 18542 198 1 3 . 1 1 12 12 MET H H 12 8.022 8.022 8.290 -0.268 18542 199 1 3 . 1 1 13 13 MET HA H 13 4.194 4.194 4.164 0.030 18542 200 1 3 . 1 1 13 13 MET CA C 13 56.900 56.900 58.483 -1.583 18542 201 1 3 . 1 1 13 13 MET H H 13 8.022 8.022 7.838 0.184 18542 202 1 3 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.075 0.100 18542 203 1 3 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.114 -1.714 18542 204 1 3 . 1 1 14 14 GLU H H 14 7.841 7.841 7.856 -0.015 18542 205 1 3 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.195 -0.014 18542 206 1 3 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.630 -1.290 18542 207 1 3 . 1 1 15 15 GLU H H 15 8.095 8.095 7.784 0.311 18542 208 1 3 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.399 -0.163 18542 209 1 3 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.292 -0.342 18542 210 1 3 . 1 1 16 16 ALA H H 16 8.184 8.184 7.664 0.520 18542 211 1 3 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.653 -0.023 18542 212 1 3 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.526 1.624 18542 213 1 3 . 1 1 17 17 ASN H H 17 8.204 8.204 7.678 0.526 18542 214 1 3 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.459 0.931 18542 215 1 3 . 1 1 18 18 GLY H H 18 8.185 8.185 7.580 0.605 18542 216 1 3 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.036 0.295 18542 217 1 3 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.659 -2.969 18542 218 1 3 . 1 1 19 19 GLN H H 19 8.095 8.095 8.114 -0.019 18542 219 1 3 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.219 -0.079 18542 220 1 3 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.805 -3.305 18542 221 1 3 . 1 1 20 20 ILE H H 20 8.072 8.072 8.032 0.040 18542 222 1 3 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.799 -0.211 18542 223 1 3 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.734 0.696 18542 224 1 3 . 1 1 21 21 ALA H H 21 8.363 8.363 7.365 0.998 18542 225 1 3 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.319 0.068 18542 226 1 3 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.071 0.151 18542 227 1 3 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.026 -1.236 18542 228 1 3 . 1 1 23 23 GLU H H 23 8.572 8.572 8.210 0.362 18542 229 1 3 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.426 0.276 18542 230 1 3 . 1 1 24 24 ASN H H 24 8.424 8.424 7.570 0.854 18542 231 1 3 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.211 0.179 18542 232 1 3 . 1 1 25 25 GLY H H 25 8.334 8.334 8.212 0.122 18542 233 1 3 . 1 1 26 26 THR HA H 26 4.319 4.319 4.329 -0.010 18542 234 1 3 . 1 1 26 26 THR CA C 26 61.830 61.830 64.399 -2.569 18542 235 1 3 . 1 1 26 26 THR H H 26 8.025 8.025 8.302 -0.277 18542 236 1 3 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.507 -0.114 18542 237 1 3 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.536 0.044 18542 238 1 3 . 1 1 27 27 GLN H H 27 8.415 8.415 7.864 0.551 18542 239 1 3 . 1 1 28 28 THR HA H 28 4.503 4.503 4.435 0.068 18542 240 1 3 . 1 1 28 28 THR CA C 28 62.760 62.760 62.515 0.245 18542 241 1 3 . 1 1 28 28 THR H H 28 8.260 8.260 8.025 0.235 18542 242 1 3 . 1 1 30 30 SER HA H 30 4.703 4.703 4.621 0.082 18542 243 1 3 . 1 1 30 30 SER H H 30 8.404 8.404 8.210 0.194 18542 244 1 3 . 1 1 33 33 SER HA H 33 4.428 4.428 4.349 0.079 18542 245 1 3 . 1 1 33 33 SER CA C 33 63.040 63.040 60.189 2.851 18542 246 1 3 . 1 1 33 33 SER H H 33 8.322 8.322 8.436 -0.114 18542 247 1 3 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.322 -0.007 18542 248 1 3 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.700 -0.130 18542 249 1 3 . 1 1 34 34 GLU H H 34 8.404 8.404 8.257 0.147 18542 250 1 4 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.450 -0.479 18542 251 1 4 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.502 1.888 18542 252 1 4 . 1 1 2 2 VAL H H 2 8.651 8.651 8.573 0.078 18542 253 1 4 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.887 3.933 18542 254 1 4 . 1 1 3 3 GLY H H 3 9.014 9.014 8.440 0.574 18542 255 1 4 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.566 -0.278 18542 256 1 4 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.829 3.061 18542 257 1 4 . 1 1 4 4 PHE H H 4 7.829 7.829 7.920 -0.091 18542 258 1 4 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.350 -0.237 18542 259 1 4 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.389 -0.489 18542 260 1 4 . 1 1 5 5 PHE H H 5 7.706 7.706 8.315 -0.609 18542 261 1 4 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.139 -0.123 18542 262 1 4 . 1 1 6 6 LYS CA C 6 58.650 58.650 58.911 -0.261 18542 263 1 4 . 1 1 6 6 LYS H H 6 8.272 8.272 7.820 0.452 18542 264 1 4 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.593 -0.513 18542 265 1 4 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.357 2.353 18542 266 1 4 . 1 1 7 7 ARG H H 7 7.908 7.908 7.510 0.398 18542 267 1 4 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.416 -0.336 18542 268 1 4 . 1 1 8 8 GLN CA C 8 58.650 58.650 57.835 0.815 18542 269 1 4 . 1 1 8 8 GLN H H 8 7.935 7.935 8.424 -0.489 18542 270 1 4 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.279 -0.203 18542 271 1 4 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.742 7.819 18542 272 1 4 . 1 1 9 9 TYR H H 9 8.270 8.270 8.838 -0.568 18542 273 1 4 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.121 -0.299 18542 274 1 4 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.828 3.872 18542 275 1 4 . 1 1 10 10 LYS H H 10 7.938 7.938 7.910 0.028 18542 276 1 4 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.153 -0.135 18542 277 1 4 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.855 -0.205 18542 278 1 4 . 1 1 11 11 GLU H H 11 7.906 7.906 7.695 0.211 18542 279 1 4 . 1 1 12 12 MET HA H 12 4.194 4.194 4.345 -0.151 18542 280 1 4 . 1 1 12 12 MET CA C 12 56.900 56.900 58.752 -1.852 18542 281 1 4 . 1 1 12 12 MET H H 12 8.022 8.022 8.195 -0.173 18542 282 1 4 . 1 1 13 13 MET HA H 13 4.194 4.194 4.178 0.016 18542 283 1 4 . 1 1 13 13 MET CA C 13 56.900 56.900 58.534 -1.634 18542 284 1 4 . 1 1 13 13 MET H H 13 8.022 8.022 7.831 0.191 18542 285 1 4 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.082 0.093 18542 286 1 4 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.767 -1.367 18542 287 1 4 . 1 1 14 14 GLU H H 14 7.841 7.841 8.021 -0.180 18542 288 1 4 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.305 -0.124 18542 289 1 4 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.199 -0.859 18542 290 1 4 . 1 1 15 15 GLU H H 15 8.095 8.095 7.839 0.256 18542 291 1 4 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.373 -0.137 18542 292 1 4 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.339 -0.389 18542 293 1 4 . 1 1 16 16 ALA H H 16 8.184 8.184 7.713 0.471 18542 294 1 4 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.632 -0.002 18542 295 1 4 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.708 1.442 18542 296 1 4 . 1 1 17 17 ASN H H 17 8.204 8.204 7.655 0.549 18542 297 1 4 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.504 0.886 18542 298 1 4 . 1 1 18 18 GLY H H 18 8.185 8.185 7.614 0.571 18542 299 1 4 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.026 0.305 18542 300 1 4 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.440 -2.750 18542 301 1 4 . 1 1 19 19 GLN H H 19 8.095 8.095 8.014 0.081 18542 302 1 4 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.236 -0.096 18542 303 1 4 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.747 -3.247 18542 304 1 4 . 1 1 20 20 ILE H H 20 8.072 8.072 8.004 0.068 18542 305 1 4 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.803 -0.215 18542 306 1 4 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.721 0.709 18542 307 1 4 . 1 1 21 21 ALA H H 21 8.363 8.363 7.362 1.001 18542 308 1 4 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.333 0.054 18542 309 1 4 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.109 0.113 18542 310 1 4 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.879 -1.089 18542 311 1 4 . 1 1 23 23 GLU H H 23 8.572 8.572 8.221 0.351 18542 312 1 4 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.419 0.283 18542 313 1 4 . 1 1 24 24 ASN H H 24 8.424 8.424 7.565 0.859 18542 314 1 4 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.310 0.080 18542 315 1 4 . 1 1 25 25 GLY H H 25 8.334 8.334 8.250 0.084 18542 316 1 4 . 1 1 26 26 THR HA H 26 4.319 4.319 4.304 0.015 18542 317 1 4 . 1 1 26 26 THR CA C 26 61.830 61.830 63.615 -1.785 18542 318 1 4 . 1 1 26 26 THR H H 26 8.025 8.025 8.074 -0.049 18542 319 1 4 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.477 -0.084 18542 320 1 4 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.495 0.085 18542 321 1 4 . 1 1 27 27 GLN H H 27 8.415 8.415 8.079 0.336 18542 322 1 4 . 1 1 28 28 THR HA H 28 4.503 4.503 4.433 0.070 18542 323 1 4 . 1 1 28 28 THR CA C 28 62.760 62.760 62.703 0.057 18542 324 1 4 . 1 1 28 28 THR H H 28 8.260 8.260 8.046 0.214 18542 325 1 4 . 1 1 30 30 SER HA H 30 4.703 4.703 4.413 0.290 18542 326 1 4 . 1 1 30 30 SER H H 30 8.404 8.404 8.216 0.188 18542 327 1 4 . 1 1 33 33 SER HA H 33 4.428 4.428 4.311 0.117 18542 328 1 4 . 1 1 33 33 SER CA C 33 63.040 63.040 60.158 2.882 18542 329 1 4 . 1 1 33 33 SER H H 33 8.322 8.322 8.486 -0.164 18542 330 1 4 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.347 -0.032 18542 331 1 4 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.616 -0.046 18542 332 1 4 . 1 1 34 34 GLU H H 34 8.404 8.404 7.645 0.759 18542 333 1 5 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.447 -0.476 18542 334 1 5 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.347 2.043 18542 335 1 5 . 1 1 2 2 VAL H H 2 8.651 8.651 8.520 0.131 18542 336 1 5 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.755 4.065 18542 337 1 5 . 1 1 3 3 GLY H H 3 9.014 9.014 8.410 0.604 18542 338 1 5 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.362 -0.074 18542 339 1 5 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.965 2.925 18542 340 1 5 . 1 1 4 4 PHE H H 4 7.829 7.829 7.854 -0.025 18542 341 1 5 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.367 -0.254 18542 342 1 5 . 1 1 5 5 PHE CA C 5 60.900 60.900 60.947 -0.047 18542 343 1 5 . 1 1 5 5 PHE H H 5 7.706 7.706 8.260 -0.554 18542 344 1 5 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.085 -0.069 18542 345 1 5 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.422 -0.772 18542 346 1 5 . 1 1 6 6 LYS H H 6 8.272 8.272 8.044 0.228 18542 347 1 5 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.530 -0.450 18542 348 1 5 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.836 1.874 18542 349 1 5 . 1 1 7 7 ARG H H 7 7.908 7.908 7.556 0.352 18542 350 1 5 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.265 -0.185 18542 351 1 5 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.167 0.483 18542 352 1 5 . 1 1 8 8 GLN H H 8 7.935 7.935 8.341 -0.406 18542 353 1 5 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.207 -0.131 18542 354 1 5 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.965 7.595 18542 355 1 5 . 1 1 9 9 TYR H H 9 8.270 8.270 8.701 -0.431 18542 356 1 5 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.193 -0.371 18542 357 1 5 . 1 1 10 10 LYS CA C 10 63.700 63.700 58.878 4.822 18542 358 1 5 . 1 1 10 10 LYS H H 10 7.938 7.938 7.906 0.032 18542 359 1 5 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.399 -0.381 18542 360 1 5 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.778 -0.128 18542 361 1 5 . 1 1 11 11 GLU H H 11 7.906 7.906 7.734 0.172 18542 362 1 5 . 1 1 12 12 MET HA H 12 4.194 4.194 4.355 -0.161 18542 363 1 5 . 1 1 12 12 MET CA C 12 56.900 56.900 57.431 -0.531 18542 364 1 5 . 1 1 12 12 MET H H 12 8.022 8.022 8.064 -0.042 18542 365 1 5 . 1 1 13 13 MET HA H 13 4.194 4.194 4.340 -0.146 18542 366 1 5 . 1 1 13 13 MET CA C 13 56.900 56.900 58.253 -1.353 18542 367 1 5 . 1 1 13 13 MET H H 13 8.022 8.022 7.994 0.028 18542 368 1 5 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.081 0.094 18542 369 1 5 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.319 -0.919 18542 370 1 5 . 1 1 14 14 GLU H H 14 7.841 7.841 8.018 -0.177 18542 371 1 5 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.207 -0.026 18542 372 1 5 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.203 -0.863 18542 373 1 5 . 1 1 15 15 GLU H H 15 8.095 8.095 7.730 0.365 18542 374 1 5 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.398 -0.162 18542 375 1 5 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.354 -0.404 18542 376 1 5 . 1 1 16 16 ALA H H 16 8.184 8.184 7.680 0.504 18542 377 1 5 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.619 0.011 18542 378 1 5 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.597 1.553 18542 379 1 5 . 1 1 17 17 ASN H H 17 8.204 8.204 7.663 0.541 18542 380 1 5 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.455 0.935 18542 381 1 5 . 1 1 18 18 GLY H H 18 8.185 8.185 7.576 0.609 18542 382 1 5 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.031 0.300 18542 383 1 5 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.646 -2.956 18542 384 1 5 . 1 1 19 19 GLN H H 19 8.095 8.095 8.095 -0.000 18542 385 1 5 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.219 -0.079 18542 386 1 5 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.805 -3.305 18542 387 1 5 . 1 1 20 20 ILE H H 20 8.072 8.072 8.032 0.040 18542 388 1 5 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.798 -0.210 18542 389 1 5 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.734 0.696 18542 390 1 5 . 1 1 21 21 ALA H H 21 8.363 8.363 7.365 0.998 18542 391 1 5 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.329 0.058 18542 392 1 5 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.059 0.163 18542 393 1 5 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.010 -1.220 18542 394 1 5 . 1 1 23 23 GLU H H 23 8.572 8.572 8.121 0.451 18542 395 1 5 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.428 0.274 18542 396 1 5 . 1 1 24 24 ASN H H 24 8.424 8.424 7.541 0.883 18542 397 1 5 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.122 0.268 18542 398 1 5 . 1 1 25 25 GLY H H 25 8.334 8.334 8.240 0.094 18542 399 1 5 . 1 1 26 26 THR HA H 26 4.319 4.319 4.309 0.010 18542 400 1 5 . 1 1 26 26 THR CA C 26 61.830 61.830 64.613 -2.783 18542 401 1 5 . 1 1 26 26 THR H H 26 8.025 8.025 8.272 -0.247 18542 402 1 5 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.507 -0.114 18542 403 1 5 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.609 -0.029 18542 404 1 5 . 1 1 27 27 GLN H H 27 8.415 8.415 8.010 0.405 18542 405 1 5 . 1 1 28 28 THR HA H 28 4.503 4.503 4.427 0.076 18542 406 1 5 . 1 1 28 28 THR CA C 28 62.760 62.760 62.781 -0.021 18542 407 1 5 . 1 1 28 28 THR H H 28 8.260 8.260 7.986 0.274 18542 408 1 5 . 1 1 30 30 SER HA H 30 4.703 4.703 4.464 0.239 18542 409 1 5 . 1 1 30 30 SER H H 30 8.404 8.404 8.124 0.280 18542 410 1 5 . 1 1 33 33 SER HA H 33 4.428 4.428 4.286 0.142 18542 411 1 5 . 1 1 33 33 SER CA C 33 63.040 63.040 60.635 2.405 18542 412 1 5 . 1 1 33 33 SER H H 33 8.322 8.322 8.417 -0.095 18542 413 1 5 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.408 -0.093 18542 414 1 5 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.506 0.064 18542 415 1 5 . 1 1 34 34 GLU H H 34 8.404 8.404 8.401 0.003 18542 416 1 6 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.427 -0.456 18542 417 1 6 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.890 1.500 18542 418 1 6 . 1 1 2 2 VAL H H 2 8.651 8.651 8.634 0.017 18542 419 1 6 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.831 3.989 18542 420 1 6 . 1 1 3 3 GLY H H 3 9.014 9.014 8.439 0.575 18542 421 1 6 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.575 -0.287 18542 422 1 6 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.848 3.042 18542 423 1 6 . 1 1 4 4 PHE H H 4 7.829 7.829 7.874 -0.045 18542 424 1 6 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.505 -0.392 18542 425 1 6 . 1 1 5 5 PHE CA C 5 60.900 60.900 60.612 0.288 18542 426 1 6 . 1 1 5 5 PHE H H 5 7.706 7.706 8.314 -0.608 18542 427 1 6 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.089 -0.073 18542 428 1 6 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.358 -0.708 18542 429 1 6 . 1 1 6 6 LYS H H 6 8.272 8.272 8.144 0.128 18542 430 1 6 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.521 -0.441 18542 431 1 6 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.469 2.240 18542 432 1 6 . 1 1 7 7 ARG H H 7 7.908 7.908 7.636 0.272 18542 433 1 6 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.244 -0.164 18542 434 1 6 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.177 0.473 18542 435 1 6 . 1 1 8 8 GLN H H 8 7.935 7.935 8.350 -0.415 18542 436 1 6 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.291 -0.215 18542 437 1 6 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.739 7.821 18542 438 1 6 . 1 1 9 9 TYR H H 9 8.270 8.270 8.793 -0.523 18542 439 1 6 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.099 -0.277 18542 440 1 6 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.758 3.942 18542 441 1 6 . 1 1 10 10 LYS H H 10 7.938 7.938 7.875 0.063 18542 442 1 6 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.226 -0.208 18542 443 1 6 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.527 0.123 18542 444 1 6 . 1 1 11 11 GLU H H 11 7.906 7.906 7.899 0.007 18542 445 1 6 . 1 1 12 12 MET HA H 12 4.194 4.194 4.448 -0.254 18542 446 1 6 . 1 1 12 12 MET CA C 12 56.900 56.900 57.411 -0.511 18542 447 1 6 . 1 1 12 12 MET H H 12 8.022 8.022 7.905 0.117 18542 448 1 6 . 1 1 13 13 MET HA H 13 4.194 4.194 4.154 0.040 18542 449 1 6 . 1 1 13 13 MET CA C 13 56.900 56.900 58.214 -1.314 18542 450 1 6 . 1 1 13 13 MET H H 13 8.022 8.022 7.844 0.178 18542 451 1 6 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.020 0.155 18542 452 1 6 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.948 -1.548 18542 453 1 6 . 1 1 14 14 GLU H H 14 7.841 7.841 7.818 0.023 18542 454 1 6 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.335 -0.154 18542 455 1 6 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.555 -1.215 18542 456 1 6 . 1 1 15 15 GLU H H 15 8.095 8.095 7.659 0.436 18542 457 1 6 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.392 -0.156 18542 458 1 6 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.364 -0.414 18542 459 1 6 . 1 1 16 16 ALA H H 16 8.184 8.184 7.671 0.513 18542 460 1 6 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.628 0.002 18542 461 1 6 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.625 1.525 18542 462 1 6 . 1 1 17 17 ASN H H 17 8.204 8.204 7.702 0.502 18542 463 1 6 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.519 0.871 18542 464 1 6 . 1 1 18 18 GLY H H 18 8.185 8.185 7.624 0.561 18542 465 1 6 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.044 0.287 18542 466 1 6 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.566 -2.876 18542 467 1 6 . 1 1 19 19 GLN H H 19 8.095 8.095 8.026 0.069 18542 468 1 6 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.235 -0.095 18542 469 1 6 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.745 -3.245 18542 470 1 6 . 1 1 20 20 ILE H H 20 8.072 8.072 8.001 0.071 18542 471 1 6 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.803 -0.215 18542 472 1 6 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.740 0.690 18542 473 1 6 . 1 1 21 21 ALA H H 21 8.363 8.363 7.361 1.002 18542 474 1 6 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.337 0.050 18542 475 1 6 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.098 0.124 18542 476 1 6 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.637 -0.847 18542 477 1 6 . 1 1 23 23 GLU H H 23 8.572 8.572 8.184 0.388 18542 478 1 6 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.423 0.279 18542 479 1 6 . 1 1 24 24 ASN H H 24 8.424 8.424 7.590 0.834 18542 480 1 6 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.343 0.047 18542 481 1 6 . 1 1 25 25 GLY H H 25 8.334 8.334 8.222 0.112 18542 482 1 6 . 1 1 26 26 THR HA H 26 4.319 4.319 4.382 -0.063 18542 483 1 6 . 1 1 26 26 THR CA C 26 61.830 61.830 63.794 -1.964 18542 484 1 6 . 1 1 26 26 THR H H 26 8.025 8.025 8.286 -0.261 18542 485 1 6 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.467 -0.074 18542 486 1 6 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.736 -0.156 18542 487 1 6 . 1 1 27 27 GLN H H 27 8.415 8.415 7.739 0.676 18542 488 1 6 . 1 1 28 28 THR HA H 28 4.503 4.503 4.409 0.094 18542 489 1 6 . 1 1 28 28 THR CA C 28 62.760 62.760 61.534 1.226 18542 490 1 6 . 1 1 28 28 THR H H 28 8.260 8.260 7.924 0.336 18542 491 1 6 . 1 1 30 30 SER HA H 30 4.703 4.703 4.723 -0.020 18542 492 1 6 . 1 1 30 30 SER H H 30 8.404 8.404 8.093 0.311 18542 493 1 6 . 1 1 33 33 SER HA H 33 4.428 4.428 4.356 0.072 18542 494 1 6 . 1 1 33 33 SER CA C 33 63.040 63.040 60.034 3.006 18542 495 1 6 . 1 1 33 33 SER H H 33 8.322 8.322 8.343 -0.021 18542 496 1 6 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.308 0.007 18542 497 1 6 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.870 -0.300 18542 498 1 6 . 1 1 34 34 GLU H H 34 8.404 8.404 8.210 0.194 18542 499 1 7 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.535 -0.564 18542 500 1 7 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.451 1.939 18542 501 1 7 . 1 1 2 2 VAL H H 2 8.651 8.651 8.460 0.191 18542 502 1 7 . 1 1 3 3 GLY CA C 3 50.820 50.820 47.010 3.810 18542 503 1 7 . 1 1 3 3 GLY H H 3 9.014 9.014 8.390 0.624 18542 504 1 7 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.524 -0.236 18542 505 1 7 . 1 1 4 4 PHE CA C 4 61.890 61.890 59.229 2.661 18542 506 1 7 . 1 1 4 4 PHE H H 4 7.829 7.829 8.007 -0.178 18542 507 1 7 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.379 -0.266 18542 508 1 7 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.422 -0.522 18542 509 1 7 . 1 1 5 5 PHE H H 5 7.706 7.706 8.201 -0.495 18542 510 1 7 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.077 -0.061 18542 511 1 7 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.032 -0.382 18542 512 1 7 . 1 1 6 6 LYS H H 6 8.272 8.272 7.911 0.361 18542 513 1 7 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.516 -0.436 18542 514 1 7 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.076 1.634 18542 515 1 7 . 1 1 7 7 ARG H H 7 7.908 7.908 7.565 0.343 18542 516 1 7 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.205 -0.125 18542 517 1 7 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.470 0.180 18542 518 1 7 . 1 1 8 8 GLN H H 8 7.935 7.935 8.353 -0.418 18542 519 1 7 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.296 -0.220 18542 520 1 7 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.817 7.743 18542 521 1 7 . 1 1 9 9 TYR H H 9 8.270 8.270 8.732 -0.462 18542 522 1 7 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.166 -0.344 18542 523 1 7 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.425 4.275 18542 524 1 7 . 1 1 10 10 LYS H H 10 7.938 7.938 7.884 0.054 18542 525 1 7 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.202 -0.184 18542 526 1 7 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.552 0.098 18542 527 1 7 . 1 1 11 11 GLU H H 11 7.906 7.906 7.850 0.056 18542 528 1 7 . 1 1 12 12 MET HA H 12 4.194 4.194 4.434 -0.240 18542 529 1 7 . 1 1 12 12 MET CA C 12 56.900 56.900 57.490 -0.591 18542 530 1 7 . 1 1 12 12 MET H H 12 8.022 8.022 7.947 0.075 18542 531 1 7 . 1 1 13 13 MET HA H 13 4.194 4.194 4.154 0.040 18542 532 1 7 . 1 1 13 13 MET CA C 13 56.900 56.900 58.029 -1.129 18542 533 1 7 . 1 1 13 13 MET H H 13 8.022 8.022 7.757 0.265 18542 534 1 7 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.069 0.106 18542 535 1 7 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.083 -1.683 18542 536 1 7 . 1 1 14 14 GLU H H 14 7.841 7.841 7.875 -0.034 18542 537 1 7 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.216 -0.035 18542 538 1 7 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.617 -1.277 18542 539 1 7 . 1 1 15 15 GLU H H 15 8.095 8.095 7.736 0.359 18542 540 1 7 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.395 -0.159 18542 541 1 7 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.345 -0.395 18542 542 1 7 . 1 1 16 16 ALA H H 16 8.184 8.184 7.674 0.510 18542 543 1 7 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.642 -0.012 18542 544 1 7 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.583 1.567 18542 545 1 7 . 1 1 17 17 ASN H H 17 8.204 8.204 7.668 0.536 18542 546 1 7 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.516 0.874 18542 547 1 7 . 1 1 18 18 GLY H H 18 8.185 8.185 7.636 0.549 18542 548 1 7 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.047 0.284 18542 549 1 7 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.580 -2.890 18542 550 1 7 . 1 1 19 19 GLN H H 19 8.095 8.095 8.049 0.046 18542 551 1 7 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.241 -0.101 18542 552 1 7 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.522 -3.022 18542 553 1 7 . 1 1 20 20 ILE H H 20 8.072 8.072 8.120 -0.048 18542 554 1 7 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.798 -0.210 18542 555 1 7 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.758 0.672 18542 556 1 7 . 1 1 21 21 ALA H H 21 8.363 8.363 7.267 1.096 18542 557 1 7 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.350 0.037 18542 558 1 7 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.101 0.120 18542 559 1 7 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.354 -1.564 18542 560 1 7 . 1 1 23 23 GLU H H 23 8.572 8.572 8.205 0.367 18542 561 1 7 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.345 0.357 18542 562 1 7 . 1 1 24 24 ASN H H 24 8.424 8.424 7.480 0.944 18542 563 1 7 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.481 -0.091 18542 564 1 7 . 1 1 25 25 GLY H H 25 8.334 8.334 8.361 -0.027 18542 565 1 7 . 1 1 26 26 THR HA H 26 4.319 4.319 4.358 -0.039 18542 566 1 7 . 1 1 26 26 THR CA C 26 61.830 61.830 64.023 -2.193 18542 567 1 7 . 1 1 26 26 THR H H 26 8.025 8.025 8.138 -0.113 18542 568 1 7 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.389 0.004 18542 569 1 7 . 1 1 27 27 GLN CA C 27 55.580 55.580 57.100 -1.520 18542 570 1 7 . 1 1 27 27 GLN H H 27 8.415 8.415 7.583 0.832 18542 571 1 7 . 1 1 28 28 THR HA H 28 4.503 4.503 4.278 0.225 18542 572 1 7 . 1 1 28 28 THR CA C 28 62.760 62.760 61.456 1.304 18542 573 1 7 . 1 1 28 28 THR H H 28 8.260 8.260 8.103 0.157 18542 574 1 7 . 1 1 30 30 SER HA H 30 4.703 4.703 4.419 0.284 18542 575 1 7 . 1 1 30 30 SER H H 30 8.404 8.404 8.218 0.186 18542 576 1 7 . 1 1 33 33 SER HA H 33 4.428 4.428 4.304 0.124 18542 577 1 7 . 1 1 33 33 SER CA C 33 63.040 63.040 60.073 2.967 18542 578 1 7 . 1 1 33 33 SER H H 33 8.322 8.322 8.451 -0.129 18542 579 1 7 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.477 -0.162 18542 580 1 7 . 1 1 34 34 GLU CA C 34 56.570 56.570 55.492 1.078 18542 581 1 7 . 1 1 34 34 GLU H H 34 8.404 8.404 8.219 0.185 18542 582 1 8 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.451 -0.480 18542 583 1 8 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.503 1.887 18542 584 1 8 . 1 1 2 2 VAL H H 2 8.651 8.651 8.575 0.076 18542 585 1 8 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.867 3.953 18542 586 1 8 . 1 1 3 3 GLY H H 3 9.014 9.014 8.438 0.576 18542 587 1 8 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.576 -0.288 18542 588 1 8 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.779 3.111 18542 589 1 8 . 1 1 4 4 PHE H H 4 7.829 7.829 7.916 -0.087 18542 590 1 8 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.371 -0.258 18542 591 1 8 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.320 -0.420 18542 592 1 8 . 1 1 5 5 PHE H H 5 7.706 7.706 8.297 -0.591 18542 593 1 8 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.147 -0.131 18542 594 1 8 . 1 1 6 6 LYS CA C 6 58.650 58.650 58.915 -0.265 18542 595 1 8 . 1 1 6 6 LYS H H 6 8.272 8.272 7.857 0.415 18542 596 1 8 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.553 -0.473 18542 597 1 8 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.950 1.760 18542 598 1 8 . 1 1 7 7 ARG H H 7 7.908 7.908 7.563 0.345 18542 599 1 8 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.410 -0.330 18542 600 1 8 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.681 -0.031 18542 601 1 8 . 1 1 8 8 GLN H H 8 7.935 7.935 8.376 -0.441 18542 602 1 8 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.286 -0.210 18542 603 1 8 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.874 7.686 18542 604 1 8 . 1 1 9 9 TYR H H 9 8.270 8.270 8.790 -0.520 18542 605 1 8 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.146 -0.324 18542 606 1 8 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.062 4.638 18542 607 1 8 . 1 1 10 10 LYS H H 10 7.938 7.938 7.941 -0.003 18542 608 1 8 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.201 -0.183 18542 609 1 8 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.777 -0.127 18542 610 1 8 . 1 1 11 11 GLU H H 11 7.906 7.906 7.792 0.114 18542 611 1 8 . 1 1 12 12 MET HA H 12 4.194 4.194 4.408 -0.214 18542 612 1 8 . 1 1 12 12 MET CA C 12 56.900 56.900 56.482 0.418 18542 613 1 8 . 1 1 12 12 MET H H 12 8.022 8.022 8.104 -0.082 18542 614 1 8 . 1 1 13 13 MET HA H 13 4.194 4.194 4.226 -0.032 18542 615 1 8 . 1 1 13 13 MET CA C 13 56.900 56.900 57.472 -0.572 18542 616 1 8 . 1 1 13 13 MET H H 13 8.022 8.022 7.817 0.205 18542 617 1 8 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.024 0.151 18542 618 1 8 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.963 -1.563 18542 619 1 8 . 1 1 14 14 GLU H H 14 7.841 7.841 8.045 -0.204 18542 620 1 8 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.207 -0.026 18542 621 1 8 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.309 -0.969 18542 622 1 8 . 1 1 15 15 GLU H H 15 8.095 8.095 7.745 0.349 18542 623 1 8 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.406 -0.170 18542 624 1 8 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.313 -0.363 18542 625 1 8 . 1 1 16 16 ALA H H 16 8.184 8.184 7.678 0.506 18542 626 1 8 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.618 0.012 18542 627 1 8 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.770 1.380 18542 628 1 8 . 1 1 17 17 ASN H H 17 8.204 8.204 7.653 0.551 18542 629 1 8 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.510 0.880 18542 630 1 8 . 1 1 18 18 GLY H H 18 8.185 8.185 7.910 0.275 18542 631 1 8 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.064 0.267 18542 632 1 8 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.528 -2.838 18542 633 1 8 . 1 1 19 19 GLN H H 19 8.095 8.095 8.132 -0.037 18542 634 1 8 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.240 -0.100 18542 635 1 8 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.521 -3.021 18542 636 1 8 . 1 1 20 20 ILE H H 20 8.072 8.072 8.087 -0.015 18542 637 1 8 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.802 -0.214 18542 638 1 8 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.775 0.655 18542 639 1 8 . 1 1 21 21 ALA H H 21 8.363 8.363 7.269 1.094 18542 640 1 8 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.347 0.040 18542 641 1 8 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.159 0.063 18542 642 1 8 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.637 -0.847 18542 643 1 8 . 1 1 23 23 GLU H H 23 8.572 8.572 8.254 0.318 18542 644 1 8 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.386 0.316 18542 645 1 8 . 1 1 24 24 ASN H H 24 8.424 8.424 7.458 0.966 18542 646 1 8 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.086 0.305 18542 647 1 8 . 1 1 25 25 GLY H H 25 8.334 8.334 8.355 -0.021 18542 648 1 8 . 1 1 26 26 THR HA H 26 4.319 4.319 4.276 0.043 18542 649 1 8 . 1 1 26 26 THR CA C 26 61.830 61.830 63.595 -1.765 18542 650 1 8 . 1 1 26 26 THR H H 26 8.025 8.025 7.877 0.148 18542 651 1 8 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.627 -0.234 18542 652 1 8 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.462 0.118 18542 653 1 8 . 1 1 27 27 GLN H H 27 8.415 8.415 8.507 -0.092 18542 654 1 8 . 1 1 28 28 THR HA H 28 4.503 4.503 4.342 0.161 18542 655 1 8 . 1 1 28 28 THR CA C 28 62.760 62.760 60.724 2.035 18542 656 1 8 . 1 1 28 28 THR H H 28 8.260 8.260 7.732 0.528 18542 657 1 8 . 1 1 30 30 SER HA H 30 4.703 4.703 4.407 0.296 18542 658 1 8 . 1 1 30 30 SER H H 30 8.404 8.404 8.245 0.159 18542 659 1 8 . 1 1 33 33 SER HA H 33 4.428 4.428 4.375 0.053 18542 660 1 8 . 1 1 33 33 SER CA C 33 63.040 63.040 59.459 3.581 18542 661 1 8 . 1 1 33 33 SER H H 33 8.322 8.322 8.409 -0.087 18542 662 1 8 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.417 -0.102 18542 663 1 8 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.300 0.270 18542 664 1 8 . 1 1 34 34 GLU H H 34 8.404 8.404 7.638 0.766 18542 665 1 9 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.480 -0.509 18542 666 1 9 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.854 1.536 18542 667 1 9 . 1 1 2 2 VAL H H 2 8.651 8.651 8.583 0.068 18542 668 1 9 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.967 3.853 18542 669 1 9 . 1 1 3 3 GLY H H 3 9.014 9.014 8.408 0.606 18542 670 1 9 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.564 -0.276 18542 671 1 9 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.838 3.052 18542 672 1 9 . 1 1 4 4 PHE H H 4 7.829 7.829 7.933 -0.104 18542 673 1 9 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.323 -0.210 18542 674 1 9 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.465 -0.565 18542 675 1 9 . 1 1 5 5 PHE H H 5 7.706 7.706 8.292 -0.586 18542 676 1 9 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.014 0.002 18542 677 1 9 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.977 -1.327 18542 678 1 9 . 1 1 6 6 LYS H H 6 8.272 8.272 7.882 0.390 18542 679 1 9 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.474 -0.394 18542 680 1 9 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.286 1.424 18542 681 1 9 . 1 1 7 7 ARG H H 7 7.908 7.908 7.481 0.427 18542 682 1 9 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.337 -0.257 18542 683 1 9 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.042 0.608 18542 684 1 9 . 1 1 8 8 GLN H H 8 7.935 7.935 8.403 -0.468 18542 685 1 9 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.179 -0.103 18542 686 1 9 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.968 7.592 18542 687 1 9 . 1 1 9 9 TYR H H 9 8.270 8.270 8.763 -0.493 18542 688 1 9 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.136 -0.314 18542 689 1 9 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.791 3.909 18542 690 1 9 . 1 1 10 10 LYS H H 10 7.938 7.938 7.885 0.053 18542 691 1 9 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.151 -0.133 18542 692 1 9 . 1 1 11 11 GLU CA C 11 58.650 58.650 59.137 -0.487 18542 693 1 9 . 1 1 11 11 GLU H H 11 7.906 7.906 7.748 0.158 18542 694 1 9 . 1 1 12 12 MET HA H 12 4.194 4.194 4.516 -0.322 18542 695 1 9 . 1 1 12 12 MET CA C 12 56.900 56.900 58.197 -1.297 18542 696 1 9 . 1 1 12 12 MET H H 12 8.022 8.022 8.353 -0.331 18542 697 1 9 . 1 1 13 13 MET HA H 13 4.194 4.194 4.231 -0.037 18542 698 1 9 . 1 1 13 13 MET CA C 13 56.900 56.900 58.054 -1.154 18542 699 1 9 . 1 1 13 13 MET H H 13 8.022 8.022 7.886 0.136 18542 700 1 9 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.029 0.146 18542 701 1 9 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.007 -1.607 18542 702 1 9 . 1 1 14 14 GLU H H 14 7.841 7.841 8.012 -0.171 18542 703 1 9 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.180 0.001 18542 704 1 9 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.371 -1.031 18542 705 1 9 . 1 1 15 15 GLU H H 15 8.095 8.095 7.878 0.217 18542 706 1 9 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.376 -0.140 18542 707 1 9 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.263 -0.313 18542 708 1 9 . 1 1 16 16 ALA H H 16 8.184 8.184 7.711 0.473 18542 709 1 9 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.638 -0.008 18542 710 1 9 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.809 1.341 18542 711 1 9 . 1 1 17 17 ASN H H 17 8.204 8.204 7.637 0.567 18542 712 1 9 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.487 0.903 18542 713 1 9 . 1 1 18 18 GLY H H 18 8.185 8.185 7.583 0.602 18542 714 1 9 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.072 0.259 18542 715 1 9 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.606 -2.916 18542 716 1 9 . 1 1 19 19 GLN H H 19 8.095 8.095 8.117 -0.022 18542 717 1 9 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.193 -0.053 18542 718 1 9 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.727 -3.227 18542 719 1 9 . 1 1 20 20 ILE H H 20 8.072 8.072 7.976 0.096 18542 720 1 9 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.802 -0.214 18542 721 1 9 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.735 0.695 18542 722 1 9 . 1 1 21 21 ALA H H 21 8.363 8.363 7.361 1.002 18542 723 1 9 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.336 0.051 18542 724 1 9 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.086 0.136 18542 725 1 9 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.686 -0.896 18542 726 1 9 . 1 1 23 23 GLU H H 23 8.572 8.572 8.085 0.487 18542 727 1 9 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.414 0.288 18542 728 1 9 . 1 1 24 24 ASN H H 24 8.424 8.424 7.533 0.891 18542 729 1 9 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.343 0.047 18542 730 1 9 . 1 1 25 25 GLY H H 25 8.334 8.334 8.258 0.076 18542 731 1 9 . 1 1 26 26 THR HA H 26 4.319 4.319 4.315 0.004 18542 732 1 9 . 1 1 26 26 THR CA C 26 61.830 61.830 63.728 -1.898 18542 733 1 9 . 1 1 26 26 THR H H 26 8.025 8.025 8.125 -0.100 18542 734 1 9 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.453 -0.060 18542 735 1 9 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.375 0.205 18542 736 1 9 . 1 1 27 27 GLN H H 27 8.415 8.415 7.737 0.678 18542 737 1 9 . 1 1 28 28 THR HA H 28 4.503 4.503 4.417 0.086 18542 738 1 9 . 1 1 28 28 THR CA C 28 62.760 62.760 61.536 1.224 18542 739 1 9 . 1 1 28 28 THR H H 28 8.260 8.260 7.978 0.282 18542 740 1 9 . 1 1 30 30 SER HA H 30 4.703 4.703 4.385 0.318 18542 741 1 9 . 1 1 30 30 SER H H 30 8.404 8.404 8.278 0.126 18542 742 1 9 . 1 1 33 33 SER HA H 33 4.428 4.428 4.315 0.113 18542 743 1 9 . 1 1 33 33 SER CA C 33 63.040 63.040 59.969 3.071 18542 744 1 9 . 1 1 33 33 SER H H 33 8.322 8.322 8.367 -0.045 18542 745 1 9 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.264 0.051 18542 746 1 9 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.925 -0.355 18542 747 1 9 . 1 1 34 34 GLU H H 34 8.404 8.404 8.220 0.184 18542 748 1 10 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.477 -0.506 18542 749 1 10 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.622 1.768 18542 750 1 10 . 1 1 2 2 VAL H H 2 8.651 8.651 8.536 0.115 18542 751 1 10 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.872 3.948 18542 752 1 10 . 1 1 3 3 GLY H H 3 9.014 9.014 8.366 0.648 18542 753 1 10 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.564 -0.276 18542 754 1 10 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.861 3.029 18542 755 1 10 . 1 1 4 4 PHE H H 4 7.829 7.829 7.875 -0.046 18542 756 1 10 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.366 -0.253 18542 757 1 10 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.404 -0.504 18542 758 1 10 . 1 1 5 5 PHE H H 5 7.706 7.706 8.210 -0.504 18542 759 1 10 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.146 -0.130 18542 760 1 10 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.052 -0.402 18542 761 1 10 . 1 1 6 6 LYS H H 6 8.272 8.272 7.877 0.395 18542 762 1 10 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.430 -0.350 18542 763 1 10 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.394 1.316 18542 764 1 10 . 1 1 7 7 ARG H H 7 7.908 7.908 7.668 0.240 18542 765 1 10 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.317 -0.237 18542 766 1 10 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.099 0.551 18542 767 1 10 . 1 1 8 8 GLN H H 8 7.935 7.935 8.420 -0.485 18542 768 1 10 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.285 -0.209 18542 769 1 10 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.746 7.814 18542 770 1 10 . 1 1 9 9 TYR H H 9 8.270 8.270 8.823 -0.553 18542 771 1 10 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.137 -0.315 18542 772 1 10 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.827 3.873 18542 773 1 10 . 1 1 10 10 LYS H H 10 7.938 7.938 7.838 0.100 18542 774 1 10 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.192 -0.174 18542 775 1 10 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.995 -0.345 18542 776 1 10 . 1 1 11 11 GLU H H 11 7.906 7.906 7.689 0.217 18542 777 1 10 . 1 1 12 12 MET HA H 12 4.194 4.194 4.559 -0.365 18542 778 1 10 . 1 1 12 12 MET CA C 12 56.900 56.900 58.712 -1.812 18542 779 1 10 . 1 1 12 12 MET H H 12 8.022 8.022 8.138 -0.116 18542 780 1 10 . 1 1 13 13 MET HA H 13 4.194 4.194 4.119 0.075 18542 781 1 10 . 1 1 13 13 MET CA C 13 56.900 56.900 58.861 -1.961 18542 782 1 10 . 1 1 13 13 MET H H 13 8.022 8.022 7.894 0.128 18542 783 1 10 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.000 0.174 18542 784 1 10 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.523 -2.123 18542 785 1 10 . 1 1 14 14 GLU H H 14 7.841 7.841 7.892 -0.051 18542 786 1 10 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.170 0.011 18542 787 1 10 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.867 -1.527 18542 788 1 10 . 1 1 15 15 GLU H H 15 8.095 8.095 7.837 0.258 18542 789 1 10 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.381 -0.145 18542 790 1 10 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.264 -0.314 18542 791 1 10 . 1 1 16 16 ALA H H 16 8.184 8.184 7.607 0.577 18542 792 1 10 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.636 -0.006 18542 793 1 10 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.681 1.469 18542 794 1 10 . 1 1 17 17 ASN H H 17 8.204 8.204 7.792 0.412 18542 795 1 10 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.718 0.672 18542 796 1 10 . 1 1 18 18 GLY H H 18 8.185 8.185 7.661 0.524 18542 797 1 10 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.065 0.266 18542 798 1 10 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.624 -2.934 18542 799 1 10 . 1 1 19 19 GLN H H 19 8.095 8.095 8.244 -0.149 18542 800 1 10 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.227 -0.087 18542 801 1 10 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.594 -3.094 18542 802 1 10 . 1 1 20 20 ILE H H 20 8.072 8.072 8.061 0.011 18542 803 1 10 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.801 -0.213 18542 804 1 10 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.751 0.680 18542 805 1 10 . 1 1 21 21 ALA H H 21 8.363 8.363 7.361 1.002 18542 806 1 10 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.320 0.067 18542 807 1 10 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.071 0.151 18542 808 1 10 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.992 -1.202 18542 809 1 10 . 1 1 23 23 GLU H H 23 8.572 8.572 8.119 0.453 18542 810 1 10 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.467 0.235 18542 811 1 10 . 1 1 24 24 ASN H H 24 8.424 8.424 7.500 0.924 18542 812 1 10 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.073 0.317 18542 813 1 10 . 1 1 25 25 GLY H H 25 8.334 8.334 8.263 0.071 18542 814 1 10 . 1 1 26 26 THR HA H 26 4.319 4.319 4.361 -0.042 18542 815 1 10 . 1 1 26 26 THR CA C 26 61.830 61.830 63.335 -1.505 18542 816 1 10 . 1 1 26 26 THR H H 26 8.025 8.025 7.886 0.139 18542 817 1 10 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.604 -0.210 18542 818 1 10 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.676 -0.096 18542 819 1 10 . 1 1 27 27 GLN H H 27 8.415 8.415 8.296 0.119 18542 820 1 10 . 1 1 28 28 THR HA H 28 4.503 4.503 4.282 0.221 18542 821 1 10 . 1 1 28 28 THR CA C 28 62.760 62.760 62.394 0.366 18542 822 1 10 . 1 1 28 28 THR H H 28 8.260 8.260 7.933 0.327 18542 823 1 10 . 1 1 30 30 SER HA H 30 4.703 4.703 4.513 0.190 18542 824 1 10 . 1 1 30 30 SER H H 30 8.404 8.404 8.286 0.119 18542 825 1 10 . 1 1 33 33 SER HA H 33 4.428 4.428 4.302 0.126 18542 826 1 10 . 1 1 33 33 SER CA C 33 63.040 63.040 60.519 2.521 18542 827 1 10 . 1 1 33 33 SER H H 33 8.322 8.322 8.553 -0.231 18542 828 1 10 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.385 -0.070 18542 829 1 10 . 1 1 34 34 GLU CA C 34 56.570 56.570 55.948 0.622 18542 830 1 10 . 1 1 34 34 GLU H H 34 8.404 8.404 8.338 0.066 18542 831 1 11 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.475 -0.504 18542 832 1 11 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.859 1.531 18542 833 1 11 . 1 1 2 2 VAL H H 2 8.651 8.651 8.589 0.062 18542 834 1 11 . 1 1 3 3 GLY CA C 3 50.820 50.820 47.017 3.803 18542 835 1 11 . 1 1 3 3 GLY H H 3 9.014 9.014 8.420 0.594 18542 836 1 11 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.531 -0.243 18542 837 1 11 . 1 1 4 4 PHE CA C 4 61.890 61.890 59.002 2.888 18542 838 1 11 . 1 1 4 4 PHE H H 4 7.829 7.829 8.026 -0.197 18542 839 1 11 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.296 -0.183 18542 840 1 11 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.176 -0.276 18542 841 1 11 . 1 1 5 5 PHE H H 5 7.706 7.706 8.353 -0.647 18542 842 1 11 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.096 -0.080 18542 843 1 11 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.399 -0.749 18542 844 1 11 . 1 1 6 6 LYS H H 6 8.272 8.272 8.076 0.196 18542 845 1 11 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.501 -0.421 18542 846 1 11 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.211 1.499 18542 847 1 11 . 1 1 7 7 ARG H H 7 7.908 7.908 7.514 0.394 18542 848 1 11 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.242 -0.162 18542 849 1 11 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.538 0.112 18542 850 1 11 . 1 1 8 8 GLN H H 8 7.935 7.935 8.296 -0.361 18542 851 1 11 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.352 -0.276 18542 852 1 11 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.400 8.160 18542 853 1 11 . 1 1 9 9 TYR H H 9 8.270 8.270 8.772 -0.502 18542 854 1 11 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.245 -0.423 18542 855 1 11 . 1 1 10 10 LYS CA C 10 63.700 63.700 58.458 5.242 18542 856 1 11 . 1 1 10 10 LYS H H 10 7.938 7.938 7.814 0.124 18542 857 1 11 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.256 -0.238 18542 858 1 11 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.656 -0.006 18542 859 1 11 . 1 1 11 11 GLU H H 11 7.906 7.906 7.795 0.111 18542 860 1 11 . 1 1 12 12 MET HA H 12 4.194 4.194 4.382 -0.188 18542 861 1 11 . 1 1 12 12 MET CA C 12 56.900 56.900 58.550 -1.650 18542 862 1 11 . 1 1 12 12 MET H H 12 8.022 8.022 8.210 -0.188 18542 863 1 11 . 1 1 13 13 MET HA H 13 4.194 4.194 4.317 -0.123 18542 864 1 11 . 1 1 13 13 MET CA C 13 56.900 56.900 58.585 -1.685 18542 865 1 11 . 1 1 13 13 MET H H 13 8.022 8.022 7.883 0.139 18542 866 1 11 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.083 0.092 18542 867 1 11 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.480 -1.080 18542 868 1 11 . 1 1 14 14 GLU H H 14 7.841 7.841 7.891 -0.050 18542 869 1 11 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.215 -0.034 18542 870 1 11 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.548 -1.208 18542 871 1 11 . 1 1 15 15 GLU H H 15 8.095 8.095 7.770 0.325 18542 872 1 11 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.413 -0.177 18542 873 1 11 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.262 -0.312 18542 874 1 11 . 1 1 16 16 ALA H H 16 8.184 8.184 7.695 0.489 18542 875 1 11 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.679 -0.049 18542 876 1 11 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.401 1.749 18542 877 1 11 . 1 1 17 17 ASN H H 17 8.204 8.204 7.606 0.598 18542 878 1 11 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.482 0.908 18542 879 1 11 . 1 1 18 18 GLY H H 18 8.185 8.185 7.630 0.555 18542 880 1 11 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.067 0.264 18542 881 1 11 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.568 -2.878 18542 882 1 11 . 1 1 19 19 GLN H H 19 8.095 8.095 8.207 -0.112 18542 883 1 11 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.193 -0.053 18542 884 1 11 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.715 -3.215 18542 885 1 11 . 1 1 20 20 ILE H H 20 8.072 8.072 7.972 0.100 18542 886 1 11 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.797 -0.209 18542 887 1 11 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.742 0.688 18542 888 1 11 . 1 1 21 21 ALA H H 21 8.363 8.363 7.357 1.006 18542 889 1 11 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.334 0.053 18542 890 1 11 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.072 0.150 18542 891 1 11 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.981 -1.191 18542 892 1 11 . 1 1 23 23 GLU H H 23 8.572 8.572 8.145 0.427 18542 893 1 11 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.421 0.281 18542 894 1 11 . 1 1 24 24 ASN H H 24 8.424 8.424 7.569 0.855 18542 895 1 11 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.207 0.183 18542 896 1 11 . 1 1 25 25 GLY H H 25 8.334 8.334 8.231 0.103 18542 897 1 11 . 1 1 26 26 THR HA H 26 4.319 4.319 4.244 0.075 18542 898 1 11 . 1 1 26 26 THR CA C 26 61.830 61.830 64.954 -3.124 18542 899 1 11 . 1 1 26 26 THR H H 26 8.025 8.025 8.217 -0.192 18542 900 1 11 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.532 -0.139 18542 901 1 11 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.506 0.074 18542 902 1 11 . 1 1 27 27 GLN H H 27 8.415 8.415 8.073 0.342 18542 903 1 11 . 1 1 28 28 THR HA H 28 4.503 4.503 4.462 0.041 18542 904 1 11 . 1 1 28 28 THR CA C 28 62.760 62.760 63.165 -0.405 18542 905 1 11 . 1 1 28 28 THR H H 28 8.260 8.260 8.032 0.228 18542 906 1 11 . 1 1 30 30 SER HA H 30 4.703 4.703 4.523 0.180 18542 907 1 11 . 1 1 30 30 SER H H 30 8.404 8.404 8.182 0.222 18542 908 1 11 . 1 1 33 33 SER HA H 33 4.428 4.428 4.279 0.149 18542 909 1 11 . 1 1 33 33 SER CA C 33 63.040 63.040 60.777 2.263 18542 910 1 11 . 1 1 33 33 SER H H 33 8.322 8.322 8.607 -0.285 18542 911 1 11 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.319 -0.004 18542 912 1 11 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.269 0.301 18542 913 1 11 . 1 1 34 34 GLU H H 34 8.404 8.404 7.720 0.684 18542 914 1 12 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.437 -0.466 18542 915 1 12 . 1 1 2 2 VAL CA C 2 65.390 65.390 64.050 1.340 18542 916 1 12 . 1 1 2 2 VAL H H 2 8.651 8.651 8.698 -0.047 18542 917 1 12 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.966 3.854 18542 918 1 12 . 1 1 3 3 GLY H H 3 9.014 9.014 8.471 0.543 18542 919 1 12 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.566 -0.278 18542 920 1 12 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.827 3.063 18542 921 1 12 . 1 1 4 4 PHE H H 4 7.829 7.829 7.933 -0.104 18542 922 1 12 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.371 -0.258 18542 923 1 12 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.306 -0.406 18542 924 1 12 . 1 1 5 5 PHE H H 5 7.706 7.706 8.393 -0.687 18542 925 1 12 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.138 -0.122 18542 926 1 12 . 1 1 6 6 LYS CA C 6 58.650 58.650 58.948 -0.298 18542 927 1 12 . 1 1 6 6 LYS H H 6 8.272 8.272 7.834 0.438 18542 928 1 12 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.570 -0.490 18542 929 1 12 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.525 2.185 18542 930 1 12 . 1 1 7 7 ARG H H 7 7.908 7.908 7.653 0.255 18542 931 1 12 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.244 -0.164 18542 932 1 12 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.522 0.128 18542 933 1 12 . 1 1 8 8 GLN H H 8 7.935 7.935 8.416 -0.481 18542 934 1 12 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.183 -0.107 18542 935 1 12 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.927 7.633 18542 936 1 12 . 1 1 9 9 TYR H H 9 8.270 8.270 8.737 -0.467 18542 937 1 12 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.182 -0.360 18542 938 1 12 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.238 4.462 18542 939 1 12 . 1 1 10 10 LYS H H 10 7.938 7.938 7.882 0.056 18542 940 1 12 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.164 -0.146 18542 941 1 12 . 1 1 11 11 GLU CA C 11 58.650 58.650 59.352 -0.702 18542 942 1 12 . 1 1 11 11 GLU H H 11 7.906 7.906 7.766 0.140 18542 943 1 12 . 1 1 12 12 MET HA H 12 4.194 4.194 4.548 -0.354 18542 944 1 12 . 1 1 12 12 MET CA C 12 56.900 56.900 58.448 -1.548 18542 945 1 12 . 1 1 12 12 MET H H 12 8.022 8.022 8.078 -0.056 18542 946 1 12 . 1 1 13 13 MET HA H 13 4.194 4.194 4.205 -0.011 18542 947 1 12 . 1 1 13 13 MET CA C 13 56.900 56.900 58.440 -1.540 18542 948 1 12 . 1 1 13 13 MET H H 13 8.022 8.022 7.923 0.099 18542 949 1 12 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.024 0.151 18542 950 1 12 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.151 -1.751 18542 951 1 12 . 1 1 14 14 GLU H H 14 7.841 7.841 7.931 -0.090 18542 952 1 12 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.164 0.017 18542 953 1 12 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.899 -1.559 18542 954 1 12 . 1 1 15 15 GLU H H 15 8.095 8.095 7.763 0.332 18542 955 1 12 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.381 -0.145 18542 956 1 12 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.270 -0.320 18542 957 1 12 . 1 1 16 16 ALA H H 16 8.184 8.184 7.692 0.492 18542 958 1 12 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.707 -0.077 18542 959 1 12 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.269 1.881 18542 960 1 12 . 1 1 17 17 ASN H H 17 8.204 8.204 7.621 0.583 18542 961 1 12 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.458 0.932 18542 962 1 12 . 1 1 18 18 GLY H H 18 8.185 8.185 7.523 0.662 18542 963 1 12 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.156 0.175 18542 964 1 12 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.493 -2.803 18542 965 1 12 . 1 1 19 19 GLN H H 19 8.095 8.095 8.020 0.075 18542 966 1 12 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.197 -0.057 18542 967 1 12 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.696 -3.196 18542 968 1 12 . 1 1 20 20 ILE H H 20 8.072 8.072 7.881 0.191 18542 969 1 12 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.837 -0.249 18542 970 1 12 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.578 0.852 18542 971 1 12 . 1 1 21 21 ALA H H 21 8.363 8.363 7.322 1.041 18542 972 1 12 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.318 0.069 18542 973 1 12 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.044 0.178 18542 974 1 12 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.116 -1.326 18542 975 1 12 . 1 1 23 23 GLU H H 23 8.572 8.572 8.157 0.415 18542 976 1 12 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.428 0.274 18542 977 1 12 . 1 1 24 24 ASN H H 24 8.424 8.424 7.564 0.861 18542 978 1 12 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.160 0.230 18542 979 1 12 . 1 1 25 25 GLY H H 25 8.334 8.334 8.197 0.137 18542 980 1 12 . 1 1 26 26 THR HA H 26 4.319 4.319 4.223 0.096 18542 981 1 12 . 1 1 26 26 THR CA C 26 61.830 61.830 64.908 -3.078 18542 982 1 12 . 1 1 26 26 THR H H 26 8.025 8.025 8.279 -0.254 18542 983 1 12 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.508 -0.115 18542 984 1 12 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.547 0.033 18542 985 1 12 . 1 1 27 27 GLN H H 27 8.415 8.415 8.304 0.111 18542 986 1 12 . 1 1 28 28 THR HA H 28 4.503 4.503 4.230 0.273 18542 987 1 12 . 1 1 28 28 THR CA C 28 62.760 62.760 62.813 -0.053 18542 988 1 12 . 1 1 28 28 THR H H 28 8.260 8.260 7.977 0.283 18542 989 1 12 . 1 1 30 30 SER HA H 30 4.703 4.703 4.471 0.232 18542 990 1 12 . 1 1 30 30 SER H H 30 8.404 8.404 8.182 0.222 18542 991 1 12 . 1 1 33 33 SER HA H 33 4.428 4.428 4.316 0.112 18542 992 1 12 . 1 1 33 33 SER CA C 33 63.040 63.040 60.313 2.727 18542 993 1 12 . 1 1 33 33 SER H H 33 8.322 8.322 8.456 -0.134 18542 994 1 12 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.275 0.040 18542 995 1 12 . 1 1 34 34 GLU CA C 34 56.570 56.570 57.535 -0.965 18542 996 1 12 . 1 1 34 34 GLU H H 34 8.404 8.404 8.319 0.085 18542 997 1 13 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.434 -0.463 18542 998 1 13 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.888 1.502 18542 999 1 13 . 1 1 2 2 VAL H H 2 8.651 8.651 8.631 0.020 18542 1000 1 13 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.878 3.942 18542 1001 1 13 . 1 1 3 3 GLY H H 3 9.014 9.014 8.440 0.574 18542 1002 1 13 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.553 -0.265 18542 1003 1 13 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.924 2.966 18542 1004 1 13 . 1 1 4 4 PHE H H 4 7.829 7.829 7.886 -0.057 18542 1005 1 13 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.342 -0.229 18542 1006 1 13 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.344 -0.444 18542 1007 1 13 . 1 1 5 5 PHE H H 5 7.706 7.706 8.254 -0.548 18542 1008 1 13 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.091 -0.075 18542 1009 1 13 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.612 -0.962 18542 1010 1 13 . 1 1 6 6 LYS H H 6 8.272 8.272 7.905 0.367 18542 1011 1 13 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.523 -0.443 18542 1012 1 13 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.327 1.383 18542 1013 1 13 . 1 1 7 7 ARG H H 7 7.908 7.908 7.686 0.222 18542 1014 1 13 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.236 -0.156 18542 1015 1 13 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.583 0.067 18542 1016 1 13 . 1 1 8 8 GLN H H 8 7.935 7.935 8.345 -0.410 18542 1017 1 13 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.187 -0.111 18542 1018 1 13 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.684 7.875 18542 1019 1 13 . 1 1 9 9 TYR H H 9 8.270 8.270 8.671 -0.401 18542 1020 1 13 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.080 -0.258 18542 1021 1 13 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.848 3.852 18542 1022 1 13 . 1 1 10 10 LYS H H 10 7.938 7.938 7.911 0.027 18542 1023 1 13 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.460 -0.442 18542 1024 1 13 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.444 0.206 18542 1025 1 13 . 1 1 11 11 GLU H H 11 7.906 7.906 7.753 0.153 18542 1026 1 13 . 1 1 12 12 MET HA H 12 4.194 4.194 4.321 -0.127 18542 1027 1 13 . 1 1 12 12 MET CA C 12 56.900 56.900 58.009 -1.109 18542 1028 1 13 . 1 1 12 12 MET H H 12 8.022 8.022 7.953 0.069 18542 1029 1 13 . 1 1 13 13 MET HA H 13 4.194 4.194 4.166 0.028 18542 1030 1 13 . 1 1 13 13 MET CA C 13 56.900 56.900 58.944 -2.044 18542 1031 1 13 . 1 1 13 13 MET H H 13 8.022 8.022 7.913 0.109 18542 1032 1 13 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.037 0.138 18542 1033 1 13 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.773 -1.373 18542 1034 1 13 . 1 1 14 14 GLU H H 14 7.841 7.841 7.958 -0.117 18542 1035 1 13 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.180 0.001 18542 1036 1 13 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.471 -1.131 18542 1037 1 13 . 1 1 15 15 GLU H H 15 8.095 8.095 7.680 0.415 18542 1038 1 13 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.409 -0.173 18542 1039 1 13 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.356 -0.406 18542 1040 1 13 . 1 1 16 16 ALA H H 16 8.184 8.184 7.674 0.510 18542 1041 1 13 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.640 -0.010 18542 1042 1 13 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.499 1.651 18542 1043 1 13 . 1 1 17 17 ASN H H 17 8.204 8.204 7.665 0.539 18542 1044 1 13 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.497 0.893 18542 1045 1 13 . 1 1 18 18 GLY H H 18 8.185 8.185 7.886 0.299 18542 1046 1 13 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.185 0.146 18542 1047 1 13 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.354 -2.664 18542 1048 1 13 . 1 1 19 19 GLN H H 19 8.095 8.095 8.062 0.033 18542 1049 1 13 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.217 -0.077 18542 1050 1 13 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.487 -2.987 18542 1051 1 13 . 1 1 20 20 ILE H H 20 8.072 8.072 7.902 0.170 18542 1052 1 13 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.840 -0.252 18542 1053 1 13 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.591 0.839 18542 1054 1 13 . 1 1 21 21 ALA H H 21 8.363 8.363 7.312 1.051 18542 1055 1 13 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.315 0.072 18542 1056 1 13 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.055 0.167 18542 1057 1 13 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.453 -1.663 18542 1058 1 13 . 1 1 23 23 GLU H H 23 8.572 8.572 8.284 0.288 18542 1059 1 13 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.488 0.214 18542 1060 1 13 . 1 1 24 24 ASN H H 24 8.424 8.424 7.598 0.826 18542 1061 1 13 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.101 0.289 18542 1062 1 13 . 1 1 25 25 GLY H H 25 8.334 8.334 8.207 0.127 18542 1063 1 13 . 1 1 26 26 THR HA H 26 4.319 4.319 4.306 0.013 18542 1064 1 13 . 1 1 26 26 THR CA C 26 61.830 61.830 64.810 -2.980 18542 1065 1 13 . 1 1 26 26 THR H H 26 8.025 8.025 8.427 -0.402 18542 1066 1 13 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.494 -0.101 18542 1067 1 13 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.554 0.026 18542 1068 1 13 . 1 1 27 27 GLN H H 27 8.415 8.415 8.271 0.144 18542 1069 1 13 . 1 1 28 28 THR HA H 28 4.503 4.503 4.334 0.169 18542 1070 1 13 . 1 1 28 28 THR CA C 28 62.760 62.760 63.162 -0.402 18542 1071 1 13 . 1 1 28 28 THR H H 28 8.260 8.260 8.011 0.249 18542 1072 1 13 . 1 1 30 30 SER HA H 30 4.703 4.703 4.749 -0.046 18542 1073 1 13 . 1 1 30 30 SER H H 30 8.404 8.404 8.059 0.345 18542 1074 1 13 . 1 1 33 33 SER HA H 33 4.428 4.428 4.284 0.144 18542 1075 1 13 . 1 1 33 33 SER CA C 33 63.040 63.040 60.326 2.714 18542 1076 1 13 . 1 1 33 33 SER H H 33 8.322 8.322 8.427 -0.105 18542 1077 1 13 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.247 0.068 18542 1078 1 13 . 1 1 34 34 GLU CA C 34 56.570 56.570 57.551 -0.981 18542 1079 1 13 . 1 1 34 34 GLU H H 34 8.404 8.404 8.578 -0.174 18542 1080 1 14 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.436 -0.465 18542 1081 1 14 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.887 1.503 18542 1082 1 14 . 1 1 2 2 VAL H H 2 8.651 8.651 8.630 0.021 18542 1083 1 14 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.861 3.959 18542 1084 1 14 . 1 1 3 3 GLY H H 3 9.014 9.014 8.433 0.581 18542 1085 1 14 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.565 -0.277 18542 1086 1 14 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.817 3.073 18542 1087 1 14 . 1 1 4 4 PHE H H 4 7.829 7.829 7.871 -0.042 18542 1088 1 14 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.354 -0.241 18542 1089 1 14 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.283 -0.383 18542 1090 1 14 . 1 1 5 5 PHE H H 5 7.706 7.706 8.223 -0.517 18542 1091 1 14 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.056 -0.040 18542 1092 1 14 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.444 -0.794 18542 1093 1 14 . 1 1 6 6 LYS H H 6 8.272 8.272 7.819 0.453 18542 1094 1 14 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.458 -0.378 18542 1095 1 14 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.062 1.648 18542 1096 1 14 . 1 1 7 7 ARG H H 7 7.908 7.908 7.641 0.267 18542 1097 1 14 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.516 -0.436 18542 1098 1 14 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.325 0.325 18542 1099 1 14 . 1 1 8 8 GLN H H 8 7.935 7.935 8.352 -0.417 18542 1100 1 14 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.227 -0.151 18542 1101 1 14 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.889 7.670 18542 1102 1 14 . 1 1 9 9 TYR H H 9 8.270 8.270 8.695 -0.425 18542 1103 1 14 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.150 -0.328 18542 1104 1 14 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.083 4.617 18542 1105 1 14 . 1 1 10 10 LYS H H 10 7.938 7.938 7.933 0.005 18542 1106 1 14 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.388 -0.370 18542 1107 1 14 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.805 -0.155 18542 1108 1 14 . 1 1 11 11 GLU H H 11 7.906 7.906 7.780 0.126 18542 1109 1 14 . 1 1 12 12 MET HA H 12 4.194 4.194 4.644 -0.450 18542 1110 1 14 . 1 1 12 12 MET CA C 12 56.900 56.900 57.482 -0.582 18542 1111 1 14 . 1 1 12 12 MET H H 12 8.022 8.022 7.962 0.060 18542 1112 1 14 . 1 1 13 13 MET HA H 13 4.194 4.194 4.200 -0.006 18542 1113 1 14 . 1 1 13 13 MET CA C 13 56.900 56.900 58.090 -1.190 18542 1114 1 14 . 1 1 13 13 MET H H 13 8.022 8.022 7.787 0.235 18542 1115 1 14 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.062 0.113 18542 1116 1 14 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.974 -1.574 18542 1117 1 14 . 1 1 14 14 GLU H H 14 7.841 7.841 7.880 -0.039 18542 1118 1 14 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.170 0.011 18542 1119 1 14 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.368 -1.028 18542 1120 1 14 . 1 1 15 15 GLU H H 15 8.095 8.095 7.766 0.329 18542 1121 1 14 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.323 -0.087 18542 1122 1 14 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.003 -0.053 18542 1123 1 14 . 1 1 16 16 ALA H H 16 8.184 8.184 7.567 0.617 18542 1124 1 14 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.620 0.010 18542 1125 1 14 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.666 1.484 18542 1126 1 14 . 1 1 17 17 ASN H H 17 8.204 8.204 7.806 0.398 18542 1127 1 14 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.658 0.732 18542 1128 1 14 . 1 1 18 18 GLY H H 18 8.185 8.185 7.476 0.709 18542 1129 1 14 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.046 0.285 18542 1130 1 14 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.560 -2.870 18542 1131 1 14 . 1 1 19 19 GLN H H 19 8.095 8.095 7.934 0.161 18542 1132 1 14 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.274 -0.134 18542 1133 1 14 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.363 -2.863 18542 1134 1 14 . 1 1 20 20 ILE H H 20 8.072 8.072 8.127 -0.055 18542 1135 1 14 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.808 -0.220 18542 1136 1 14 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.763 0.667 18542 1137 1 14 . 1 1 21 21 ALA H H 21 8.363 8.363 7.183 1.180 18542 1138 1 14 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.306 0.081 18542 1139 1 14 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.014 0.208 18542 1140 1 14 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.862 -1.072 18542 1141 1 14 . 1 1 23 23 GLU H H 23 8.572 8.572 8.493 0.079 18542 1142 1 14 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.475 0.227 18542 1143 1 14 . 1 1 24 24 ASN H H 24 8.424 8.424 7.539 0.885 18542 1144 1 14 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.314 0.076 18542 1145 1 14 . 1 1 25 25 GLY H H 25 8.334 8.334 8.267 0.067 18542 1146 1 14 . 1 1 26 26 THR HA H 26 4.319 4.319 4.293 0.026 18542 1147 1 14 . 1 1 26 26 THR CA C 26 61.830 61.830 64.646 -2.816 18542 1148 1 14 . 1 1 26 26 THR H H 26 8.025 8.025 7.797 0.228 18542 1149 1 14 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.528 -0.135 18542 1150 1 14 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.595 -0.015 18542 1151 1 14 . 1 1 27 27 GLN H H 27 8.415 8.415 7.741 0.674 18542 1152 1 14 . 1 1 28 28 THR HA H 28 4.503 4.503 4.459 0.044 18542 1153 1 14 . 1 1 28 28 THR CA C 28 62.760 62.760 63.073 -0.313 18542 1154 1 14 . 1 1 28 28 THR H H 28 8.260 8.260 8.048 0.212 18542 1155 1 14 . 1 1 30 30 SER HA H 30 4.703 4.703 4.492 0.211 18542 1156 1 14 . 1 1 30 30 SER H H 30 8.404 8.404 8.112 0.292 18542 1157 1 14 . 1 1 33 33 SER HA H 33 4.428 4.428 4.469 -0.041 18542 1158 1 14 . 1 1 33 33 SER CA C 33 63.040 63.040 59.469 3.571 18542 1159 1 14 . 1 1 33 33 SER H H 33 8.322 8.322 8.562 -0.240 18542 1160 1 14 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.406 -0.091 18542 1161 1 14 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.817 -0.247 18542 1162 1 14 . 1 1 34 34 GLU H H 34 8.404 8.404 8.259 0.145 18542 1163 1 15 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.540 -0.569 18542 1164 1 15 . 1 1 2 2 VAL CA C 2 65.390 65.390 64.121 1.270 18542 1165 1 15 . 1 1 2 2 VAL H H 2 8.651 8.651 8.205 0.446 18542 1166 1 15 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.886 3.934 18542 1167 1 15 . 1 1 3 3 GLY H H 3 9.014 9.014 8.374 0.640 18542 1168 1 15 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.569 -0.281 18542 1169 1 15 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.961 2.929 18542 1170 1 15 . 1 1 4 4 PHE H H 4 7.829 7.829 7.899 -0.070 18542 1171 1 15 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.388 -0.275 18542 1172 1 15 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.305 -0.405 18542 1173 1 15 . 1 1 5 5 PHE H H 5 7.706 7.706 8.330 -0.624 18542 1174 1 15 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.064 -0.048 18542 1175 1 15 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.095 -0.445 18542 1176 1 15 . 1 1 6 6 LYS H H 6 8.272 8.272 7.986 0.286 18542 1177 1 15 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.553 -0.473 18542 1178 1 15 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.322 1.388 18542 1179 1 15 . 1 1 7 7 ARG H H 7 7.908 7.908 7.504 0.404 18542 1180 1 15 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.225 -0.145 18542 1181 1 15 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.268 0.382 18542 1182 1 15 . 1 1 8 8 GLN H H 8 7.935 7.935 8.428 -0.493 18542 1183 1 15 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.281 -0.205 18542 1184 1 15 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.764 7.795 18542 1185 1 15 . 1 1 9 9 TYR H H 9 8.270 8.270 8.737 -0.467 18542 1186 1 15 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.151 -0.329 18542 1187 1 15 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.785 3.915 18542 1188 1 15 . 1 1 10 10 LYS H H 10 7.938 7.938 7.822 0.116 18542 1189 1 15 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.189 -0.171 18542 1190 1 15 . 1 1 11 11 GLU CA C 11 58.650 58.650 59.086 -0.436 18542 1191 1 15 . 1 1 11 11 GLU H H 11 7.906 7.906 7.803 0.103 18542 1192 1 15 . 1 1 12 12 MET HA H 12 4.194 4.194 4.648 -0.454 18542 1193 1 15 . 1 1 12 12 MET CA C 12 56.900 56.900 57.458 -0.558 18542 1194 1 15 . 1 1 12 12 MET H H 12 8.022 8.022 8.217 -0.195 18542 1195 1 15 . 1 1 13 13 MET HA H 13 4.194 4.194 4.222 -0.028 18542 1196 1 15 . 1 1 13 13 MET CA C 13 56.900 56.900 58.293 -1.393 18542 1197 1 15 . 1 1 13 13 MET H H 13 8.022 8.022 7.817 0.205 18542 1198 1 15 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.078 0.097 18542 1199 1 15 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.143 -1.743 18542 1200 1 15 . 1 1 14 14 GLU H H 14 7.841 7.841 7.860 -0.019 18542 1201 1 15 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.210 -0.029 18542 1202 1 15 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.699 -1.359 18542 1203 1 15 . 1 1 15 15 GLU H H 15 8.095 8.095 7.817 0.278 18542 1204 1 15 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.369 -0.133 18542 1205 1 15 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.341 -0.391 18542 1206 1 15 . 1 1 16 16 ALA H H 16 8.184 8.184 7.711 0.473 18542 1207 1 15 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.603 0.027 18542 1208 1 15 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.792 1.358 18542 1209 1 15 . 1 1 17 17 ASN H H 17 8.204 8.204 7.699 0.505 18542 1210 1 15 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.504 0.886 18542 1211 1 15 . 1 1 18 18 GLY H H 18 8.185 8.185 7.599 0.586 18542 1212 1 15 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.052 0.279 18542 1213 1 15 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.602 -2.912 18542 1214 1 15 . 1 1 19 19 GLN H H 19 8.095 8.095 8.016 0.079 18542 1215 1 15 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.238 -0.098 18542 1216 1 15 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.753 -3.253 18542 1217 1 15 . 1 1 20 20 ILE H H 20 8.072 8.072 8.008 0.064 18542 1218 1 15 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.802 -0.214 18542 1219 1 15 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.729 0.701 18542 1220 1 15 . 1 1 21 21 ALA H H 21 8.363 8.363 7.363 1.000 18542 1221 1 15 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.332 0.055 18542 1222 1 15 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.094 0.128 18542 1223 1 15 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.878 -1.088 18542 1224 1 15 . 1 1 23 23 GLU H H 23 8.572 8.572 8.177 0.395 18542 1225 1 15 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.416 0.286 18542 1226 1 15 . 1 1 24 24 ASN H H 24 8.424 8.424 7.541 0.883 18542 1227 1 15 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.263 0.127 18542 1228 1 15 . 1 1 25 25 GLY H H 25 8.334 8.334 8.158 0.176 18542 1229 1 15 . 1 1 26 26 THR HA H 26 4.319 4.319 4.190 0.129 18542 1230 1 15 . 1 1 26 26 THR CA C 26 61.830 61.830 63.513 -1.683 18542 1231 1 15 . 1 1 26 26 THR H H 26 8.025 8.025 8.099 -0.074 18542 1232 1 15 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.497 -0.104 18542 1233 1 15 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.489 0.091 18542 1234 1 15 . 1 1 27 27 GLN H H 27 8.415 8.415 8.034 0.381 18542 1235 1 15 . 1 1 28 28 THR HA H 28 4.503 4.503 4.443 0.060 18542 1236 1 15 . 1 1 28 28 THR CA C 28 62.760 62.760 63.040 -0.280 18542 1237 1 15 . 1 1 28 28 THR H H 28 8.260 8.260 8.063 0.197 18542 1238 1 15 . 1 1 30 30 SER HA H 30 4.703 4.703 4.793 -0.090 18542 1239 1 15 . 1 1 30 30 SER H H 30 8.404 8.404 8.074 0.330 18542 1240 1 15 . 1 1 33 33 SER HA H 33 4.428 4.428 4.312 0.116 18542 1241 1 15 . 1 1 33 33 SER CA C 33 63.040 63.040 60.239 2.801 18542 1242 1 15 . 1 1 33 33 SER H H 33 8.322 8.322 8.197 0.125 18542 1243 1 15 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.297 0.018 18542 1244 1 15 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.911 -0.341 18542 1245 1 15 . 1 1 34 34 GLU H H 34 8.404 8.404 7.723 0.681 18542 1246 1 16 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.505 -0.534 18542 1247 1 16 . 1 1 2 2 VAL CA C 2 65.390 65.390 64.165 1.225 18542 1248 1 16 . 1 1 2 2 VAL H H 2 8.651 8.651 8.291 0.360 18542 1249 1 16 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.938 3.882 18542 1250 1 16 . 1 1 3 3 GLY H H 3 9.014 9.014 8.448 0.566 18542 1251 1 16 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.512 -0.224 18542 1252 1 16 . 1 1 4 4 PHE CA C 4 61.890 61.890 59.317 2.573 18542 1253 1 16 . 1 1 4 4 PHE H H 4 7.829 7.829 7.945 -0.116 18542 1254 1 16 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.338 -0.225 18542 1255 1 16 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.370 -0.470 18542 1256 1 16 . 1 1 5 5 PHE H H 5 7.706 7.706 8.306 -0.600 18542 1257 1 16 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.114 -0.098 18542 1258 1 16 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.528 -0.878 18542 1259 1 16 . 1 1 6 6 LYS H H 6 8.272 8.272 7.997 0.275 18542 1260 1 16 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.456 -0.376 18542 1261 1 16 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.673 1.037 18542 1262 1 16 . 1 1 7 7 ARG H H 7 7.908 7.908 7.651 0.257 18542 1263 1 16 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.393 -0.313 18542 1264 1 16 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.339 0.311 18542 1265 1 16 . 1 1 8 8 GLN H H 8 7.935 7.935 8.464 -0.529 18542 1266 1 16 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.184 -0.108 18542 1267 1 16 . 1 1 9 9 TYR CA C 9 69.560 69.560 62.232 7.328 18542 1268 1 16 . 1 1 9 9 TYR H H 9 8.270 8.270 8.695 -0.425 18542 1269 1 16 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.142 -0.320 18542 1270 1 16 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.474 4.226 18542 1271 1 16 . 1 1 10 10 LYS H H 10 7.938 7.938 7.936 0.003 18542 1272 1 16 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.167 -0.149 18542 1273 1 16 . 1 1 11 11 GLU CA C 11 58.650 58.650 59.139 -0.489 18542 1274 1 16 . 1 1 11 11 GLU H H 11 7.906 7.906 7.666 0.240 18542 1275 1 16 . 1 1 12 12 MET HA H 12 4.194 4.194 4.422 -0.228 18542 1276 1 16 . 1 1 12 12 MET CA C 12 56.900 56.900 58.406 -1.506 18542 1277 1 16 . 1 1 12 12 MET H H 12 8.022 8.022 7.997 0.025 18542 1278 1 16 . 1 1 13 13 MET HA H 13 4.194 4.194 4.098 0.096 18542 1279 1 16 . 1 1 13 13 MET CA C 13 56.900 56.900 58.325 -1.425 18542 1280 1 16 . 1 1 13 13 MET H H 13 8.022 8.022 8.005 0.017 18542 1281 1 16 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.003 0.172 18542 1282 1 16 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.197 -1.797 18542 1283 1 16 . 1 1 14 14 GLU H H 14 7.841 7.841 7.918 -0.077 18542 1284 1 16 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.191 -0.010 18542 1285 1 16 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.756 -1.416 18542 1286 1 16 . 1 1 15 15 GLU H H 15 8.095 8.095 7.834 0.261 18542 1287 1 16 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.389 -0.153 18542 1288 1 16 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.250 -0.300 18542 1289 1 16 . 1 1 16 16 ALA H H 16 8.184 8.184 7.608 0.576 18542 1290 1 16 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.634 -0.004 18542 1291 1 16 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.657 1.493 18542 1292 1 16 . 1 1 17 17 ASN H H 17 8.204 8.204 7.736 0.468 18542 1293 1 16 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.552 0.838 18542 1294 1 16 . 1 1 18 18 GLY H H 18 8.185 8.185 7.656 0.529 18542 1295 1 16 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.066 0.265 18542 1296 1 16 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.464 -2.774 18542 1297 1 16 . 1 1 19 19 GLN H H 19 8.095 8.095 8.142 -0.047 18542 1298 1 16 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.225 -0.085 18542 1299 1 16 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.594 -3.094 18542 1300 1 16 . 1 1 20 20 ILE H H 20 8.072 8.072 8.056 0.016 18542 1301 1 16 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.801 -0.213 18542 1302 1 16 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.737 0.693 18542 1303 1 16 . 1 1 21 21 ALA H H 21 8.363 8.363 7.359 1.004 18542 1304 1 16 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.343 0.044 18542 1305 1 16 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.171 0.051 18542 1306 1 16 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.446 -0.655 18542 1307 1 16 . 1 1 23 23 GLU H H 23 8.572 8.572 8.235 0.337 18542 1308 1 16 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.412 0.290 18542 1309 1 16 . 1 1 24 24 ASN H H 24 8.424 8.424 7.517 0.907 18542 1310 1 16 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.235 0.155 18542 1311 1 16 . 1 1 25 25 GLY H H 25 8.334 8.334 8.247 0.087 18542 1312 1 16 . 1 1 26 26 THR HA H 26 4.319 4.319 4.431 -0.112 18542 1313 1 16 . 1 1 26 26 THR CA C 26 61.830 61.830 63.649 -1.819 18542 1314 1 16 . 1 1 26 26 THR H H 26 8.025 8.025 8.311 -0.286 18542 1315 1 16 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.471 -0.078 18542 1316 1 16 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.674 -0.094 18542 1317 1 16 . 1 1 27 27 GLN H H 27 8.415 8.415 8.027 0.388 18542 1318 1 16 . 1 1 28 28 THR HA H 28 4.503 4.503 4.236 0.267 18542 1319 1 16 . 1 1 28 28 THR CA C 28 62.760 62.760 63.079 -0.319 18542 1320 1 16 . 1 1 28 28 THR H H 28 8.260 8.260 7.985 0.275 18542 1321 1 16 . 1 1 30 30 SER HA H 30 4.703 4.703 4.490 0.213 18542 1322 1 16 . 1 1 30 30 SER H H 30 8.404 8.404 8.070 0.334 18542 1323 1 16 . 1 1 33 33 SER HA H 33 4.428 4.428 4.300 0.129 18542 1324 1 16 . 1 1 33 33 SER CA C 33 63.040 63.040 60.292 2.748 18542 1325 1 16 . 1 1 33 33 SER H H 33 8.322 8.322 7.945 0.377 18542 1326 1 16 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.327 -0.012 18542 1327 1 16 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.604 -0.034 18542 1328 1 16 . 1 1 34 34 GLU H H 34 8.404 8.404 7.668 0.736 18542 1329 1 17 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.479 -0.508 18542 1330 1 17 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.856 1.534 18542 1331 1 17 . 1 1 2 2 VAL H H 2 8.651 8.651 8.584 0.067 18542 1332 1 17 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.928 3.893 18542 1333 1 17 . 1 1 3 3 GLY H H 3 9.014 9.014 8.398 0.616 18542 1334 1 17 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.541 -0.253 18542 1335 1 17 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.735 3.155 18542 1336 1 17 . 1 1 4 4 PHE H H 4 7.829 7.829 7.893 -0.064 18542 1337 1 17 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.318 -0.205 18542 1338 1 17 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.473 -0.573 18542 1339 1 17 . 1 1 5 5 PHE H H 5 7.706 7.706 8.302 -0.596 18542 1340 1 17 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.011 0.005 18542 1341 1 17 . 1 1 6 6 LYS CA C 6 58.650 58.650 60.022 -1.372 18542 1342 1 17 . 1 1 6 6 LYS H H 6 8.272 8.272 7.932 0.340 18542 1343 1 17 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.487 -0.407 18542 1344 1 17 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.492 1.218 18542 1345 1 17 . 1 1 7 7 ARG H H 7 7.908 7.908 7.471 0.437 18542 1346 1 17 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.268 -0.188 18542 1347 1 17 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.576 0.074 18542 1348 1 17 . 1 1 8 8 GLN H H 8 7.935 7.935 8.482 -0.547 18542 1349 1 17 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.247 -0.171 18542 1350 1 17 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.716 7.844 18542 1351 1 17 . 1 1 9 9 TYR H H 9 8.270 8.270 8.869 -0.599 18542 1352 1 17 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.068 -0.246 18542 1353 1 17 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.734 3.966 18542 1354 1 17 . 1 1 10 10 LYS H H 10 7.938 7.938 7.956 -0.018 18542 1355 1 17 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.193 -0.175 18542 1356 1 17 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.463 0.187 18542 1357 1 17 . 1 1 11 11 GLU H H 11 7.906 7.906 7.759 0.147 18542 1358 1 17 . 1 1 12 12 MET HA H 12 4.194 4.194 4.495 -0.301 18542 1359 1 17 . 1 1 12 12 MET CA C 12 56.900 56.900 57.618 -0.718 18542 1360 1 17 . 1 1 12 12 MET H H 12 8.022 8.022 7.989 0.033 18542 1361 1 17 . 1 1 13 13 MET HA H 13 4.194 4.194 4.172 0.022 18542 1362 1 17 . 1 1 13 13 MET CA C 13 56.900 56.900 57.981 -1.081 18542 1363 1 17 . 1 1 13 13 MET H H 13 8.022 8.022 8.027 -0.005 18542 1364 1 17 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.005 0.170 18542 1365 1 17 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.915 -1.515 18542 1366 1 17 . 1 1 14 14 GLU H H 14 7.841 7.841 8.005 -0.164 18542 1367 1 17 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.179 0.002 18542 1368 1 17 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.433 -1.093 18542 1369 1 17 . 1 1 15 15 GLU H H 15 8.095 8.095 7.701 0.394 18542 1370 1 17 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.379 -0.143 18542 1371 1 17 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.330 -0.380 18542 1372 1 17 . 1 1 16 16 ALA H H 16 8.184 8.184 7.713 0.471 18542 1373 1 17 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.630 -0.000 18542 1374 1 17 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.529 1.621 18542 1375 1 17 . 1 1 17 17 ASN H H 17 8.204 8.204 7.737 0.467 18542 1376 1 17 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.481 0.909 18542 1377 1 17 . 1 1 18 18 GLY H H 18 8.185 8.185 7.623 0.562 18542 1378 1 17 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.185 0.146 18542 1379 1 17 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.356 -2.666 18542 1380 1 17 . 1 1 19 19 GLN H H 19 8.095 8.095 8.020 0.075 18542 1381 1 17 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.215 -0.075 18542 1382 1 17 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.491 -2.991 18542 1383 1 17 . 1 1 20 20 ILE H H 20 8.072 8.072 7.909 0.163 18542 1384 1 17 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.840 -0.252 18542 1385 1 17 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.589 0.841 18542 1386 1 17 . 1 1 21 21 ALA H H 21 8.363 8.363 7.309 1.054 18542 1387 1 17 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.332 0.055 18542 1388 1 17 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.057 0.165 18542 1389 1 17 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.113 -1.323 18542 1390 1 17 . 1 1 23 23 GLU H H 23 8.572 8.572 8.169 0.403 18542 1391 1 17 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.482 0.220 18542 1392 1 17 . 1 1 24 24 ASN H H 24 8.424 8.424 7.503 0.921 18542 1393 1 17 . 1 1 25 25 GLY CA C 25 45.390 45.390 44.967 0.423 18542 1394 1 17 . 1 1 25 25 GLY H H 25 8.334 8.334 8.271 0.063 18542 1395 1 17 . 1 1 26 26 THR HA H 26 4.319 4.319 4.244 0.075 18542 1396 1 17 . 1 1 26 26 THR CA C 26 61.830 61.830 64.417 -2.587 18542 1397 1 17 . 1 1 26 26 THR H H 26 8.025 8.025 7.973 0.052 18542 1398 1 17 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.547 -0.154 18542 1399 1 17 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.632 -0.052 18542 1400 1 17 . 1 1 27 27 GLN H H 27 8.415 8.415 8.283 0.132 18542 1401 1 17 . 1 1 28 28 THR HA H 28 4.503 4.503 4.244 0.259 18542 1402 1 17 . 1 1 28 28 THR CA C 28 62.760 62.760 60.810 1.950 18542 1403 1 17 . 1 1 28 28 THR H H 28 8.260 8.260 7.920 0.340 18542 1404 1 17 . 1 1 30 30 SER HA H 30 4.703 4.703 4.462 0.241 18542 1405 1 17 . 1 1 30 30 SER H H 30 8.404 8.404 8.254 0.150 18542 1406 1 17 . 1 1 33 33 SER HA H 33 4.428 4.428 4.147 0.281 18542 1407 1 17 . 1 1 33 33 SER CA C 33 63.040 63.040 60.557 2.483 18542 1408 1 17 . 1 1 33 33 SER H H 33 8.322 8.322 8.498 -0.176 18542 1409 1 17 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.224 0.091 18542 1410 1 17 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.530 0.040 18542 1411 1 17 . 1 1 34 34 GLU H H 34 8.404 8.404 8.289 0.116 18542 1412 1 18 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.514 -0.543 18542 1413 1 18 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.594 1.796 18542 1414 1 18 . 1 1 2 2 VAL H H 2 8.651 8.651 8.206 0.445 18542 1415 1 18 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.800 4.021 18542 1416 1 18 . 1 1 3 3 GLY H H 3 9.014 9.014 8.397 0.617 18542 1417 1 18 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.563 -0.275 18542 1418 1 18 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.911 2.979 18542 1419 1 18 . 1 1 4 4 PHE H H 4 7.829 7.829 7.894 -0.065 18542 1420 1 18 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.306 -0.193 18542 1421 1 18 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.172 -0.272 18542 1422 1 18 . 1 1 5 5 PHE H H 5 7.706 7.706 8.456 -0.750 18542 1423 1 18 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.013 0.003 18542 1424 1 18 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.843 -1.193 18542 1425 1 18 . 1 1 6 6 LYS H H 6 8.272 8.272 7.870 0.402 18542 1426 1 18 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.419 -0.339 18542 1427 1 18 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.492 1.218 18542 1428 1 18 . 1 1 7 7 ARG H H 7 7.908 7.908 7.592 0.316 18542 1429 1 18 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.452 -0.372 18542 1430 1 18 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.256 0.394 18542 1431 1 18 . 1 1 8 8 GLN H H 8 7.935 7.935 8.297 -0.362 18542 1432 1 18 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.374 -0.298 18542 1433 1 18 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.254 8.306 18542 1434 1 18 . 1 1 9 9 TYR H H 9 8.270 8.270 8.639 -0.369 18542 1435 1 18 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.072 -0.250 18542 1436 1 18 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.790 3.910 18542 1437 1 18 . 1 1 10 10 LYS H H 10 7.938 7.938 7.942 -0.004 18542 1438 1 18 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.449 -0.431 18542 1439 1 18 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.529 0.121 18542 1440 1 18 . 1 1 11 11 GLU H H 11 7.906 7.906 7.808 0.098 18542 1441 1 18 . 1 1 12 12 MET HA H 12 4.194 4.194 4.479 -0.285 18542 1442 1 18 . 1 1 12 12 MET CA C 12 56.900 56.900 58.154 -1.254 18542 1443 1 18 . 1 1 12 12 MET H H 12 8.022 8.022 7.922 0.100 18542 1444 1 18 . 1 1 13 13 MET HA H 13 4.194 4.194 4.157 0.037 18542 1445 1 18 . 1 1 13 13 MET CA C 13 56.900 56.900 58.477 -1.577 18542 1446 1 18 . 1 1 13 13 MET H H 13 8.022 8.022 7.971 0.051 18542 1447 1 18 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.024 0.151 18542 1448 1 18 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.763 -1.363 18542 1449 1 18 . 1 1 14 14 GLU H H 14 7.841 7.841 7.986 -0.145 18542 1450 1 18 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.204 -0.023 18542 1451 1 18 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.348 -1.008 18542 1452 1 18 . 1 1 15 15 GLU H H 15 8.095 8.095 7.815 0.280 18542 1453 1 18 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.367 -0.131 18542 1454 1 18 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.341 -0.391 18542 1455 1 18 . 1 1 16 16 ALA H H 16 8.184 8.184 7.708 0.476 18542 1456 1 18 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.634 -0.004 18542 1457 1 18 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.719 1.431 18542 1458 1 18 . 1 1 17 17 ASN H H 17 8.204 8.204 7.668 0.536 18542 1459 1 18 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.504 0.886 18542 1460 1 18 . 1 1 18 18 GLY H H 18 8.185 8.185 7.596 0.589 18542 1461 1 18 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.053 0.278 18542 1462 1 18 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.609 -2.919 18542 1463 1 18 . 1 1 19 19 GLN H H 19 8.095 8.095 8.015 0.080 18542 1464 1 18 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.237 -0.097 18542 1465 1 18 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.752 -3.252 18542 1466 1 18 . 1 1 20 20 ILE H H 20 8.072 8.072 8.008 0.064 18542 1467 1 18 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.803 -0.215 18542 1468 1 18 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.726 0.704 18542 1469 1 18 . 1 1 21 21 ALA H H 21 8.363 8.363 7.362 1.001 18542 1470 1 18 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.310 0.077 18542 1471 1 18 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.050 0.172 18542 1472 1 18 . 1 1 23 23 GLU CA C 23 56.790 56.790 58.688 -1.897 18542 1473 1 18 . 1 1 23 23 GLU H H 23 8.572 8.572 8.337 0.235 18542 1474 1 18 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.418 0.284 18542 1475 1 18 . 1 1 24 24 ASN H H 24 8.424 8.424 7.563 0.861 18542 1476 1 18 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.089 0.301 18542 1477 1 18 . 1 1 25 25 GLY H H 25 8.334 8.334 8.272 0.062 18542 1478 1 18 . 1 1 26 26 THR HA H 26 4.319 4.319 4.258 0.061 18542 1479 1 18 . 1 1 26 26 THR CA C 26 61.830 61.830 64.623 -2.793 18542 1480 1 18 . 1 1 26 26 THR H H 26 8.025 8.025 8.338 -0.313 18542 1481 1 18 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.536 -0.143 18542 1482 1 18 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.588 -0.008 18542 1483 1 18 . 1 1 27 27 GLN H H 27 8.415 8.415 7.992 0.423 18542 1484 1 18 . 1 1 28 28 THR HA H 28 4.503 4.503 4.446 0.057 18542 1485 1 18 . 1 1 28 28 THR CA C 28 62.760 62.760 63.077 -0.317 18542 1486 1 18 . 1 1 28 28 THR H H 28 8.260 8.260 8.100 0.160 18542 1487 1 18 . 1 1 30 30 SER HA H 30 4.703 4.703 4.428 0.275 18542 1488 1 18 . 1 1 30 30 SER H H 30 8.404 8.404 8.139 0.265 18542 1489 1 18 . 1 1 33 33 SER HA H 33 4.428 4.428 4.329 0.099 18542 1490 1 18 . 1 1 33 33 SER CA C 33 63.040 63.040 59.539 3.501 18542 1491 1 18 . 1 1 33 33 SER H H 33 8.322 8.322 8.283 0.039 18542 1492 1 18 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.292 0.023 18542 1493 1 18 . 1 1 34 34 GLU CA C 34 56.570 56.570 57.605 -1.035 18542 1494 1 18 . 1 1 34 34 GLU H H 34 8.404 8.404 8.295 0.109 18542 1495 1 19 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.506 -0.535 18542 1496 1 19 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.587 1.804 18542 1497 1 19 . 1 1 2 2 VAL H H 2 8.651 8.651 8.210 0.441 18542 1498 1 19 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.891 3.929 18542 1499 1 19 . 1 1 3 3 GLY H H 3 9.014 9.014 8.420 0.594 18542 1500 1 19 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.529 -0.241 18542 1501 1 19 . 1 1 4 4 PHE CA C 4 61.890 61.890 59.009 2.881 18542 1502 1 19 . 1 1 4 4 PHE H H 4 7.829 7.829 7.962 -0.133 18542 1503 1 19 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.399 -0.286 18542 1504 1 19 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.255 -0.355 18542 1505 1 19 . 1 1 5 5 PHE H H 5 7.706 7.706 8.309 -0.603 18542 1506 1 19 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.096 -0.080 18542 1507 1 19 . 1 1 6 6 LYS CA C 6 58.650 58.650 58.642 0.008 18542 1508 1 19 . 1 1 6 6 LYS H H 6 8.272 8.272 7.893 0.379 18542 1509 1 19 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.543 -0.463 18542 1510 1 19 . 1 1 7 7 ARG CA C 7 58.710 58.710 56.797 1.913 18542 1511 1 19 . 1 1 7 7 ARG H H 7 7.908 7.908 7.438 0.470 18542 1512 1 19 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.254 -0.174 18542 1513 1 19 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.605 0.045 18542 1514 1 19 . 1 1 8 8 GLN H H 8 7.935 7.935 8.316 -0.381 18542 1515 1 19 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.210 -0.134 18542 1516 1 19 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.971 7.589 18542 1517 1 19 . 1 1 9 9 TYR H H 9 8.270 8.270 8.762 -0.492 18542 1518 1 19 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.155 -0.333 18542 1519 1 19 . 1 1 10 10 LYS CA C 10 63.700 63.700 58.961 4.739 18542 1520 1 19 . 1 1 10 10 LYS H H 10 7.938 7.938 7.933 0.005 18542 1521 1 19 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.205 -0.187 18542 1522 1 19 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.651 -0.001 18542 1523 1 19 . 1 1 11 11 GLU H H 11 7.906 7.906 7.789 0.117 18542 1524 1 19 . 1 1 12 12 MET HA H 12 4.194 4.194 4.431 -0.237 18542 1525 1 19 . 1 1 12 12 MET CA C 12 56.900 56.900 57.649 -0.749 18542 1526 1 19 . 1 1 12 12 MET H H 12 8.022 8.022 7.980 0.042 18542 1527 1 19 . 1 1 13 13 MET HA H 13 4.194 4.194 4.172 0.022 18542 1528 1 19 . 1 1 13 13 MET CA C 13 56.900 56.900 58.721 -1.821 18542 1529 1 19 . 1 1 13 13 MET H H 13 8.022 8.022 7.724 0.298 18542 1530 1 19 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.071 0.104 18542 1531 1 19 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.809 -1.409 18542 1532 1 19 . 1 1 14 14 GLU H H 14 7.841 7.841 7.808 0.033 18542 1533 1 19 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.213 -0.032 18542 1534 1 19 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.626 -1.286 18542 1535 1 19 . 1 1 15 15 GLU H H 15 8.095 8.095 7.692 0.403 18542 1536 1 19 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.393 -0.157 18542 1537 1 19 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.357 -0.407 18542 1538 1 19 . 1 1 16 16 ALA H H 16 8.184 8.184 7.674 0.510 18542 1539 1 19 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.609 0.021 18542 1540 1 19 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.674 1.476 18542 1541 1 19 . 1 1 17 17 ASN H H 17 8.204 8.204 7.690 0.514 18542 1542 1 19 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.505 0.885 18542 1543 1 19 . 1 1 18 18 GLY H H 18 8.185 8.185 7.630 0.555 18542 1544 1 19 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.047 0.284 18542 1545 1 19 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.581 -2.891 18542 1546 1 19 . 1 1 19 19 GLN H H 19 8.095 8.095 8.041 0.054 18542 1547 1 19 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.236 -0.096 18542 1548 1 19 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.746 -3.246 18542 1549 1 19 . 1 1 20 20 ILE H H 20 8.072 8.072 8.004 0.068 18542 1550 1 19 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.801 -0.213 18542 1551 1 19 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.732 0.698 18542 1552 1 19 . 1 1 21 21 ALA H H 21 8.363 8.363 7.360 1.003 18542 1553 1 19 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.342 0.045 18542 1554 1 19 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.137 0.085 18542 1555 1 19 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.283 -0.493 18542 1556 1 19 . 1 1 23 23 GLU H H 23 8.572 8.572 8.287 0.285 18542 1557 1 19 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.414 0.288 18542 1558 1 19 . 1 1 24 24 ASN H H 24 8.424 8.424 7.584 0.840 18542 1559 1 19 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.390 0.000 18542 1560 1 19 . 1 1 25 25 GLY H H 25 8.334 8.334 8.206 0.128 18542 1561 1 19 . 1 1 26 26 THR HA H 26 4.319 4.319 4.330 -0.011 18542 1562 1 19 . 1 1 26 26 THR CA C 26 61.830 61.830 63.664 -1.835 18542 1563 1 19 . 1 1 26 26 THR H H 26 8.025 8.025 8.241 -0.216 18542 1564 1 19 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.584 -0.191 18542 1565 1 19 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.741 -0.161 18542 1566 1 19 . 1 1 27 27 GLN H H 27 8.415 8.415 8.013 0.402 18542 1567 1 19 . 1 1 28 28 THR HA H 28 4.503 4.503 4.378 0.125 18542 1568 1 19 . 1 1 28 28 THR CA C 28 62.760 62.760 63.313 -0.553 18542 1569 1 19 . 1 1 28 28 THR H H 28 8.260 8.260 8.043 0.217 18542 1570 1 19 . 1 1 30 30 SER HA H 30 4.703 4.703 4.416 0.287 18542 1571 1 19 . 1 1 30 30 SER H H 30 8.404 8.404 8.298 0.106 18542 1572 1 19 . 1 1 33 33 SER HA H 33 4.428 4.428 4.332 0.096 18542 1573 1 19 . 1 1 33 33 SER CA C 33 63.040 63.040 60.052 2.988 18542 1574 1 19 . 1 1 33 33 SER H H 33 8.322 8.322 8.186 0.136 18542 1575 1 19 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.305 0.010 18542 1576 1 19 . 1 1 34 34 GLU CA C 34 56.570 56.570 57.172 -0.602 18542 1577 1 19 . 1 1 34 34 GLU H H 34 8.404 8.404 7.617 0.787 18542 1578 1 20 . 1 1 2 2 VAL HA H 2 3.971 3.971 4.503 -0.532 18542 1579 1 20 . 1 1 2 2 VAL CA C 2 65.390 65.390 64.158 1.232 18542 1580 1 20 . 1 1 2 2 VAL H H 2 8.651 8.651 8.292 0.359 18542 1581 1 20 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.997 3.823 18542 1582 1 20 . 1 1 3 3 GLY H H 3 9.014 9.014 8.450 0.564 18542 1583 1 20 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.490 -0.202 18542 1584 1 20 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.800 3.090 18542 1585 1 20 . 1 1 4 4 PHE H H 4 7.829 7.829 8.026 -0.197 18542 1586 1 20 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.380 -0.267 18542 1587 1 20 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.409 -0.509 18542 1588 1 20 . 1 1 5 5 PHE H H 5 7.706 7.706 8.255 -0.549 18542 1589 1 20 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.102 -0.086 18542 1590 1 20 . 1 1 6 6 LYS CA C 6 58.650 58.650 58.867 -0.217 18542 1591 1 20 . 1 1 6 6 LYS H H 6 8.272 8.272 7.874 0.398 18542 1592 1 20 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.549 -0.469 18542 1593 1 20 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.453 1.257 18542 1594 1 20 . 1 1 7 7 ARG H H 7 7.908 7.908 7.487 0.421 18542 1595 1 20 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.623 -0.543 18542 1596 1 20 . 1 1 8 8 GLN CA C 8 58.650 58.650 57.628 1.022 18542 1597 1 20 . 1 1 8 8 GLN H H 8 7.935 7.935 8.452 -0.517 18542 1598 1 20 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.178 -0.102 18542 1599 1 20 . 1 1 9 9 TYR CA C 9 69.560 69.560 62.023 7.537 18542 1600 1 20 . 1 1 9 9 TYR H H 9 8.270 8.270 8.719 -0.449 18542 1601 1 20 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.120 -0.298 18542 1602 1 20 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.039 4.661 18542 1603 1 20 . 1 1 10 10 LYS H H 10 7.938 7.938 7.971 -0.033 18542 1604 1 20 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.207 -0.189 18542 1605 1 20 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.817 -0.167 18542 1606 1 20 . 1 1 11 11 GLU H H 11 7.906 7.906 7.794 0.112 18542 1607 1 20 . 1 1 12 12 MET HA H 12 4.194 4.194 4.342 -0.148 18542 1608 1 20 . 1 1 12 12 MET CA C 12 56.900 56.900 57.284 -0.384 18542 1609 1 20 . 1 1 12 12 MET H H 12 8.022 8.022 8.145 -0.123 18542 1610 1 20 . 1 1 13 13 MET HA H 13 4.194 4.194 4.189 0.005 18542 1611 1 20 . 1 1 13 13 MET CA C 13 56.900 56.900 56.802 0.098 18542 1612 1 20 . 1 1 13 13 MET H H 13 8.022 8.022 7.968 0.054 18542 1613 1 20 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.057 0.118 18542 1614 1 20 . 1 1 14 14 GLU CA C 14 57.400 57.400 59.086 -1.686 18542 1615 1 20 . 1 1 14 14 GLU H H 14 7.841 7.841 7.846 -0.005 18542 1616 1 20 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.210 -0.029 18542 1617 1 20 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.546 -1.206 18542 1618 1 20 . 1 1 15 15 GLU H H 15 8.095 8.095 7.729 0.366 18542 1619 1 20 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.410 -0.174 18542 1620 1 20 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.257 -0.307 18542 1621 1 20 . 1 1 16 16 ALA H H 16 8.184 8.184 7.681 0.503 18542 1622 1 20 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.605 0.025 18542 1623 1 20 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.776 1.374 18542 1624 1 20 . 1 1 17 17 ASN H H 17 8.204 8.204 7.661 0.543 18542 1625 1 20 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.510 0.881 18542 1626 1 20 . 1 1 18 18 GLY H H 18 8.185 8.185 7.825 0.360 18542 1627 1 20 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.065 0.266 18542 1628 1 20 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.567 -2.877 18542 1629 1 20 . 1 1 19 19 GLN H H 19 8.095 8.095 8.186 -0.091 18542 1630 1 20 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.192 -0.052 18542 1631 1 20 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.703 -3.203 18542 1632 1 20 . 1 1 20 20 ILE H H 20 8.072 8.072 7.965 0.107 18542 1633 1 20 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.799 -0.211 18542 1634 1 20 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.738 0.692 18542 1635 1 20 . 1 1 21 21 ALA H H 21 8.363 8.363 7.356 1.007 18542 1636 1 20 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.350 0.037 18542 1637 1 20 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.191 0.031 18542 1638 1 20 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.567 -0.777 18542 1639 1 20 . 1 1 23 23 GLU H H 23 8.572 8.572 8.262 0.309 18542 1640 1 20 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.421 0.281 18542 1641 1 20 . 1 1 24 24 ASN H H 24 8.424 8.424 7.522 0.902 18542 1642 1 20 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.101 0.289 18542 1643 1 20 . 1 1 25 25 GLY H H 25 8.334 8.334 8.165 0.169 18542 1644 1 20 . 1 1 26 26 THR HA H 26 4.319 4.319 4.398 -0.079 18542 1645 1 20 . 1 1 26 26 THR CA C 26 61.830 61.830 63.828 -1.998 18542 1646 1 20 . 1 1 26 26 THR H H 26 8.025 8.025 8.230 -0.205 18542 1647 1 20 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.439 -0.046 18542 1648 1 20 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.493 0.087 18542 1649 1 20 . 1 1 27 27 GLN H H 27 8.415 8.415 8.058 0.357 18542 1650 1 20 . 1 1 28 28 THR HA H 28 4.503 4.503 4.339 0.164 18542 1651 1 20 . 1 1 28 28 THR CA C 28 62.760 62.760 61.870 0.890 18542 1652 1 20 . 1 1 28 28 THR H H 28 8.260 8.260 7.911 0.349 18542 1653 1 20 . 1 1 30 30 SER HA H 30 4.703 4.703 4.406 0.297 18542 1654 1 20 . 1 1 30 30 SER H H 30 8.404 8.404 8.290 0.114 18542 1655 1 20 . 1 1 33 33 SER HA H 33 4.428 4.428 4.301 0.127 18542 1656 1 20 . 1 1 33 33 SER CA C 33 63.040 63.040 60.232 2.808 18542 1657 1 20 . 1 1 33 33 SER H H 33 8.322 8.322 8.281 0.041 18542 1658 1 20 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.336 -0.021 18542 1659 1 20 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.219 0.351 18542 1660 1 20 . 1 1 34 34 GLU H H 34 8.404 8.404 7.602 0.802 18542 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 18542 2 1 1 "Average Difference" HA 33 0.211 0.032 0.212 18542 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18542 4 1 1 "Average Difference" CA 27 2.321 -0.568 2.293 18542 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18542 6 1 1 "Average Difference" HN 29 0.445 -0.187 0.411 18542 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18542 8 1 2 "Average Difference" HA 33 0.216 0.020 0.219 18542 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18542 10 1 2 "Average Difference" CA 27 2.380 -0.446 2.382 18542 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18542 12 1 2 "Average Difference" HN 29 0.405 -0.164 0.376 18542 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18542 14 1 3 "Average Difference" HA 33 0.206 0.039 0.206 18542 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18542 16 1 3 "Average Difference" CA 27 2.523 -0.477 2.525 18542 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18542 18 1 3 "Average Difference" HN 29 0.409 -0.172 0.378 18542 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18542 20 1 4 "Average Difference" HA 33 0.215 0.034 0.216 18542 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18542 22 1 4 "Average Difference" CA 27 2.389 -0.515 2.377 18542 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18542 24 1 4 "Average Difference" HN 29 0.431 -0.186 0.395 18542 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18542 26 1 5 "Average Difference" HA 33 0.212 0.032 0.213 18542 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18542 28 1 5 "Average Difference" CA 27 2.411 -0.533 2.396 18542 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18542 30 1 5 "Average Difference" HN 29 0.403 -0.173 0.370 18542 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18542 32 1 6 "Average Difference" HA 33 0.206 0.047 0.203 18542 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18542 34 1 6 "Average Difference" CA 27 2.385 -0.581 2.357 18542 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18542 36 1 6 "Average Difference" HN 29 0.413 -0.190 0.373 18542 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18542 38 1 7 "Average Difference" HA 33 0.224 0.023 0.226 18542 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18542 40 1 7 "Average Difference" CA 27 2.399 -0.502 2.390 18542 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18542 42 1 7 "Average Difference" HN 29 0.433 -0.201 0.391 18542 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18542 44 1 8 "Average Difference" HA 33 0.223 0.041 0.223 18542 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18542 46 1 8 "Average Difference" CA 27 2.420 -0.737 2.349 18542 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18542 48 1 8 "Average Difference" HN 29 0.434 -0.180 0.403 18542 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18542 50 1 9 "Average Difference" HA 33 0.206 0.019 0.209 18542 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18542 52 1 9 "Average Difference" CA 27 2.345 -0.459 2.343 18542 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18542 54 1 9 "Average Difference" HN 29 0.428 -0.179 0.396 18542 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18542 56 1 10 "Average Difference" HA 33 0.212 0.034 0.213 18542 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18542 58 1 10 "Average Difference" CA 27 2.377 -0.412 2.385 18542 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18542 60 1 10 "Average Difference" HN 29 0.402 -0.162 0.374 18542 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18542 62 1 11 "Average Difference" HA 33 0.211 0.038 0.210 18542 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18542 64 1 11 "Average Difference" CA 27 2.509 -0.430 2.519 18542 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18542 66 1 11 "Average Difference" HN 29 0.425 -0.173 0.395 18542 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18542 68 1 12 "Average Difference" HA 33 0.218 0.022 0.221 18542 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18542 70 1 12 "Average Difference" CA 27 2.457 -0.362 2.476 18542 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18542 72 1 12 "Average Difference" HN 29 0.413 -0.162 0.387 18542 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18542 74 1 13 "Average Difference" HA 33 0.203 0.031 0.204 18542 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18542 76 1 13 "Average Difference" CA 27 2.402 -0.335 2.423 18542 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18542 78 1 13 "Average Difference" HN 29 0.387 -0.149 0.363 18542 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18542 80 1 14 "Average Difference" HA 33 0.226 0.051 0.223 18542 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18542 82 1 14 "Average Difference" CA 27 2.420 -0.495 2.413 18542 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18542 84 1 14 "Average Difference" HN 29 0.431 -0.206 0.385 18542 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18542 86 1 15 "Average Difference" HA 33 0.224 0.043 0.224 18542 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18542 88 1 15 "Average Difference" CA 27 2.325 -0.418 2.331 18542 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18542 90 1 15 "Average Difference" HN 29 0.434 -0.221 0.380 18542 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18542 92 1 16 "Average Difference" HA 33 0.207 0.025 0.209 18542 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18542 94 1 16 "Average Difference" CA 27 2.268 -0.350 2.284 18542 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18542 96 1 16 "Average Difference" HN 29 0.433 -0.205 0.388 18542 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18542 98 1 17 "Average Difference" HA 33 0.211 0.007 0.214 18542 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18542 100 1 17 "Average Difference" CA 27 2.377 -0.511 2.366 18542 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18542 102 1 17 "Average Difference" HN 29 0.416 -0.167 0.388 18542 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18542 104 1 18 "Average Difference" HA 33 0.226 0.034 0.227 18542 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18542 106 1 18 "Average Difference" CA 27 2.510 -0.381 2.528 18542 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18542 108 1 18 "Average Difference" HN 29 0.409 -0.179 0.374 18542 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18542 110 1 19 "Average Difference" HA 33 0.213 0.032 0.213 18542 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18542 112 1 19 "Average Difference" CA 27 2.389 -0.487 2.383 18542 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18542 114 1 19 "Average Difference" HN 29 0.436 -0.226 0.379 18542 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18542 116 1 20 "Average Difference" HA 33 0.222 0.037 0.223 18542 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18542 118 1 20 "Average Difference" CA 27 2.332 -0.621 2.291 18542 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18542 120 1 20 "Average Difference" HN 29 0.430 -0.195 0.390 18542 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 18542 _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 VAL HA H 2 3.971 3.971 4.475 -0.504 18542 2 1 . 1 1 2 2 VAL CA C 2 65.390 65.390 63.747 1.644 18542 3 1 . 1 1 2 2 VAL H H 2 8.651 8.651 8.491 0.160 18542 4 1 . 1 1 3 3 GLY CA C 3 50.820 50.820 46.893 3.927 18542 5 1 . 1 1 3 3 GLY H H 3 9.014 9.014 8.414 0.600 18542 6 1 . 1 1 4 4 PHE HA H 4 4.288 4.288 4.541 -0.253 18542 7 1 . 1 1 4 4 PHE CA C 4 61.890 61.890 58.911 2.979 18542 8 1 . 1 1 4 4 PHE H H 4 7.829 7.829 7.918 -0.089 18542 9 1 . 1 1 5 5 PHE HA H 5 4.113 4.113 4.357 -0.244 18542 10 1 . 1 1 5 5 PHE CA C 5 60.900 60.900 61.278 -0.378 18542 11 1 . 1 1 5 5 PHE H H 5 7.706 7.706 8.296 -0.590 18542 12 1 . 1 1 6 6 LYS HA H 6 4.016 4.016 4.081 -0.065 18542 13 1 . 1 1 6 6 LYS CA C 6 58.650 58.650 59.321 -0.671 18542 14 1 . 1 1 6 6 LYS H H 6 8.272 8.272 7.935 0.337 18542 15 1 . 1 1 7 7 ARG HA H 7 4.080 4.080 4.507 -0.427 18542 16 1 . 1 1 7 7 ARG CA C 7 58.710 58.710 57.127 1.583 18542 17 1 . 1 1 7 7 ARG H H 7 7.908 7.908 7.553 0.355 18542 18 1 . 1 1 8 8 GLN HA H 8 4.080 4.080 4.330 -0.250 18542 19 1 . 1 1 8 8 GLN CA C 8 58.650 58.650 58.293 0.357 18542 20 1 . 1 1 8 8 GLN H H 8 7.935 7.935 8.387 -0.452 18542 21 1 . 1 1 9 9 TYR HA H 9 4.076 4.076 4.252 -0.176 18542 22 1 . 1 1 9 9 TYR CA C 9 69.560 69.560 61.801 7.759 18542 23 1 . 1 1 9 9 TYR H H 9 8.270 8.270 8.754 -0.484 18542 24 1 . 1 1 10 10 LYS HA H 10 3.822 3.822 4.141 -0.319 18542 25 1 . 1 1 10 10 LYS CA C 10 63.700 63.700 59.431 4.269 18542 26 1 . 1 1 10 10 LYS H H 10 7.938 7.938 7.895 0.044 18542 27 1 . 1 1 11 11 GLU HA H 11 4.018 4.018 4.245 -0.227 18542 28 1 . 1 1 11 11 GLU CA C 11 58.650 58.650 58.821 -0.171 18542 29 1 . 1 1 11 11 GLU H H 11 7.906 7.906 7.762 0.144 18542 30 1 . 1 1 12 12 MET HA H 12 4.194 4.194 4.453 -0.259 18542 31 1 . 1 1 12 12 MET CA C 12 56.900 56.900 57.817 -0.917 18542 32 1 . 1 1 12 12 MET H H 12 8.022 8.022 8.093 -0.071 18542 33 1 . 1 1 13 13 MET HA H 13 4.194 4.194 4.194 -0.000 18542 34 1 . 1 1 13 13 MET CA C 13 56.900 56.900 58.226 -1.326 18542 35 1 . 1 1 13 13 MET H H 13 8.022 8.022 7.883 0.139 18542 36 1 . 1 1 14 14 GLU HA H 14 4.175 4.175 4.045 0.129 18542 37 1 . 1 1 14 14 GLU CA C 14 57.400 57.400 58.943 -1.543 18542 38 1 . 1 1 14 14 GLU H H 14 7.841 7.841 7.936 -0.095 18542 39 1 . 1 1 15 15 GLU HA H 15 4.181 4.181 4.212 -0.031 18542 40 1 . 1 1 15 15 GLU CA C 15 57.340 57.340 58.499 -1.159 18542 41 1 . 1 1 15 15 GLU H H 15 8.095 8.095 7.774 0.321 18542 42 1 . 1 1 16 16 ALA HA H 16 4.236 4.236 4.387 -0.151 18542 43 1 . 1 1 16 16 ALA CA C 16 52.950 52.950 53.295 -0.345 18542 44 1 . 1 1 16 16 ALA H H 16 8.184 8.184 7.676 0.508 18542 45 1 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.633 -0.003 18542 46 1 . 1 1 17 17 ASN CA C 17 55.150 55.150 53.628 1.522 18542 47 1 . 1 1 17 17 ASN H H 17 8.204 8.204 7.686 0.518 18542 48 1 . 1 1 18 18 GLY CA C 18 45.390 45.390 44.517 0.873 18542 49 1 . 1 1 18 18 GLY H H 18 8.185 8.185 7.658 0.527 18542 50 1 . 1 1 19 19 GLN HA H 19 4.331 4.331 4.070 0.261 18542 51 1 . 1 1 19 19 GLN CA C 19 55.690 55.690 58.545 -2.855 18542 52 1 . 1 1 19 19 GLN H H 19 8.095 8.095 8.078 0.017 18542 53 1 . 1 1 20 20 ILE HA H 20 4.140 4.140 4.225 -0.085 18542 54 1 . 1 1 20 20 ILE CA C 20 57.500 57.500 60.662 -3.162 18542 55 1 . 1 1 20 20 ILE H H 20 8.072 8.072 8.007 0.065 18542 56 1 . 1 1 21 21 ALA HA H 21 4.588 4.588 4.807 -0.219 18542 57 1 . 1 1 21 21 ALA CA C 21 50.430 50.430 49.719 0.711 18542 58 1 . 1 1 21 21 ALA H H 21 8.363 8.363 7.336 1.027 18542 59 1 . 1 1 22 22 PRO HA H 22 4.387 4.387 4.329 0.058 18542 60 1 . 1 1 23 23 GLU HA H 23 4.222 4.222 4.089 0.133 18542 61 1 . 1 1 23 23 GLU CA C 23 56.790 56.790 57.920 -1.130 18542 62 1 . 1 1 23 23 GLU H H 23 8.572 8.572 8.209 0.363 18542 63 1 . 1 1 24 24 ASN HA H 24 4.702 4.702 4.426 0.276 18542 64 1 . 1 1 24 24 ASN H H 24 8.424 8.424 7.541 0.883 18542 65 1 . 1 1 25 25 GLY CA C 25 45.390 45.390 45.194 0.196 18542 66 1 . 1 1 25 25 GLY H H 25 8.334 8.334 8.254 0.080 18542 67 1 . 1 1 26 26 THR HA H 26 4.319 4.319 4.302 0.017 18542 68 1 . 1 1 26 26 THR CA C 26 61.830 61.830 64.129 -2.299 18542 69 1 . 1 1 26 26 THR H H 26 8.025 8.025 8.165 -0.140 18542 70 1 . 1 1 27 27 GLN HA H 27 4.393 4.393 4.514 -0.120 18542 71 1 . 1 1 27 27 GLN CA C 27 55.580 55.580 55.600 -0.020 18542 72 1 . 1 1 27 27 GLN H H 27 8.415 8.415 8.035 0.380 18542 73 1 . 1 1 28 28 THR HA H 28 4.503 4.503 4.371 0.132 18542 74 1 . 1 1 28 28 THR CA C 28 62.760 62.760 62.325 0.435 18542 75 1 . 1 1 28 28 THR H H 28 8.260 8.260 7.986 0.274 18542 76 1 . 1 1 30 30 SER HA H 30 4.703 4.703 4.496 0.207 18542 77 1 . 1 1 30 30 SER H H 30 8.404 8.404 8.189 0.215 18542 78 1 . 1 1 33 33 SER HA H 33 4.428 4.428 4.313 0.115 18542 79 1 . 1 1 33 33 SER CA C 33 63.040 63.040 60.152 2.888 18542 80 1 . 1 1 33 33 SER H H 33 8.322 8.322 8.375 -0.053 18542 81 1 . 1 1 34 34 GLU HA H 34 4.315 4.315 4.332 -0.017 18542 82 1 . 1 1 34 34 GLU CA C 34 56.570 56.570 56.748 -0.178 18542 83 1 . 1 1 34 34 GLU H H 34 8.404 8.404 8.049 0.355 18542 stop_ save_