data_17990 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17990 _Entry.PDB_ID 2LKE 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 17990 _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 LEU HA H 2 4.286 4.286 4.022 0.264 17990 2 1 1 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.836 0.304 17990 3 1 1 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990 4 1 1 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.989 -0.639 17990 5 1 1 . 1 1 3 3 GLY H H 3 8.955 8.955 7.511 1.444 17990 6 1 1 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.546 -0.249 17990 7 1 1 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.837 0.293 17990 8 1 1 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990 9 1 1 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.536 0.606 17990 10 1 1 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.770 2.180 17990 11 1 1 . 1 1 5 5 PHE H H 5 7.629 7.629 6.803 0.826 17990 12 1 1 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.766 0.281 17990 13 1 1 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.354 -0.004 17990 14 1 1 . 1 1 6 6 LYS H H 6 7.856 7.856 7.333 0.523 17990 15 1 1 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.162 -0.119 17990 16 1 1 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.712 -0.143 17990 17 1 1 . 1 1 7 7 ARG H H 7 8.164 8.164 7.432 0.732 17990 18 1 1 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.169 -0.031 17990 19 1 1 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.648 -1.558 17990 20 1 1 . 1 1 8 8 GLN H H 8 7.941 7.941 7.529 0.412 17990 21 1 1 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.471 -0.323 17990 22 1 1 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.199 2.721 17990 23 1 1 . 1 1 9 9 TYR H H 9 8.148 8.148 8.222 -0.074 17990 24 1 1 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.100 -0.222 17990 25 1 1 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.876 4.844 17990 26 1 1 . 1 1 10 10 LYS H H 10 7.971 7.971 7.572 0.399 17990 27 1 1 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.567 -0.121 17990 28 1 1 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.400 -1.310 17990 29 1 1 . 1 1 11 11 ASP H H 11 8.133 8.133 7.822 0.311 17990 30 1 1 . 1 1 12 12 MET HA H 12 4.256 4.256 4.505 -0.249 17990 31 1 1 . 1 1 12 12 MET CA C 12 57.390 57.390 57.102 0.288 17990 32 1 1 . 1 1 12 12 MET H H 12 7.980 7.980 7.352 0.628 17990 33 1 1 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.561 -2.071 17990 34 1 1 . 1 1 16 16 GLY H H 16 8.375 8.375 8.291 0.084 17990 35 1 1 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.048 -0.748 17990 36 1 1 . 1 1 17 17 GLY H H 17 8.046 8.046 8.331 -0.285 17990 37 1 1 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990 38 1 1 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.177 0.103 17990 39 1 1 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.477 -0.327 17990 40 1 1 . 1 1 20 20 GLY H H 20 8.415 8.415 8.519 -0.104 17990 41 1 1 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.219 0.101 17990 42 1 1 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.613 -0.593 17990 43 1 1 . 1 1 21 21 ALA H H 21 8.002 8.002 8.046 -0.044 17990 44 1 1 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.736 -0.174 17990 45 1 1 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.377 1.943 17990 46 1 1 . 1 1 22 22 GLU H H 22 8.318 8.318 8.146 0.172 17990 47 1 2 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.049 0.237 17990 48 1 2 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.939 0.201 17990 49 1 2 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990 50 1 2 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.987 -0.637 17990 51 1 2 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990 52 1 2 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990 53 1 2 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.881 0.249 17990 54 1 2 . 1 1 4 4 PHE H H 4 7.852 7.852 8.291 -0.439 17990 55 1 2 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.593 0.549 17990 56 1 2 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.059 2.891 17990 57 1 2 . 1 1 5 5 PHE H H 5 7.629 7.629 6.741 0.888 17990 58 1 2 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.740 0.307 17990 59 1 2 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.332 0.018 17990 60 1 2 . 1 1 6 6 LYS H H 6 7.856 7.856 7.364 0.492 17990 61 1 2 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.183 -0.140 17990 62 1 2 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.496 0.074 17990 63 1 2 . 1 1 7 7 ARG H H 7 8.164 8.164 7.417 0.747 17990 64 1 2 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.178 -0.040 17990 65 1 2 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.661 -1.571 17990 66 1 2 . 1 1 8 8 GLN H H 8 7.941 7.941 7.528 0.413 17990 67 1 2 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.478 -0.330 17990 68 1 2 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.149 2.771 17990 69 1 2 . 1 1 9 9 TYR H H 9 8.148 8.148 8.277 -0.129 17990 70 1 2 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.149 -0.271 17990 71 1 2 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.578 5.142 17990 72 1 2 . 1 1 10 10 LYS H H 10 7.971 7.971 7.659 0.312 17990 73 1 2 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.541 -0.095 17990 74 1 2 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.545 -1.456 17990 75 1 2 . 1 1 11 11 ASP H H 11 8.133 8.133 7.829 0.304 17990 76 1 2 . 1 1 12 12 MET HA H 12 4.256 4.256 4.552 -0.296 17990 77 1 2 . 1 1 12 12 MET CA C 12 57.390 57.390 57.332 0.058 17990 78 1 2 . 1 1 12 12 MET H H 12 7.980 7.980 7.371 0.609 17990 79 1 2 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.419 -1.929 17990 80 1 2 . 1 1 16 16 GLY H H 16 8.375 8.375 8.223 0.152 17990 81 1 2 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.044 -0.744 17990 82 1 2 . 1 1 17 17 GLY H H 17 8.046 8.046 8.363 -0.317 17990 83 1 2 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.229 0.199 17990 84 1 2 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.053 0.227 17990 85 1 2 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.444 -0.294 17990 86 1 2 . 1 1 20 20 GLY H H 20 8.415 8.415 8.533 -0.118 17990 87 1 2 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.197 0.123 17990 88 1 2 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.706 -0.686 17990 89 1 2 . 1 1 21 21 ALA H H 21 8.002 8.002 7.840 0.162 17990 90 1 2 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.773 -0.211 17990 91 1 2 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.045 2.275 17990 92 1 2 . 1 1 22 22 GLU H H 22 8.318 8.318 8.303 0.015 17990 93 1 3 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.028 0.258 17990 94 1 3 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.908 0.231 17990 95 1 3 . 1 1 2 2 LEU H H 2 8.708 8.708 8.266 0.442 17990 96 1 3 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.990 -0.640 17990 97 1 3 . 1 1 3 3 GLY H H 3 8.955 8.955 7.525 1.430 17990 98 1 3 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.543 -0.246 17990 99 1 3 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.850 0.280 17990 100 1 3 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990 101 1 3 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.534 0.608 17990 102 1 3 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.778 2.172 17990 103 1 3 . 1 1 5 5 PHE H H 5 7.629 7.629 6.804 0.825 17990 104 1 3 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.786 0.261 17990 105 1 3 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.344 0.006 17990 106 1 3 . 1 1 6 6 LYS H H 6 7.856 7.856 7.291 0.565 17990 107 1 3 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.202 -0.159 17990 108 1 3 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.266 0.305 17990 109 1 3 . 1 1 7 7 ARG H H 7 8.164 8.164 7.366 0.798 17990 110 1 3 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.218 -0.080 17990 111 1 3 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.054 -0.964 17990 112 1 3 . 1 1 8 8 GLN H H 8 7.941 7.941 7.609 0.332 17990 113 1 3 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.487 -0.339 17990 114 1 3 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.061 2.859 17990 115 1 3 . 1 1 9 9 TYR H H 9 8.148 8.148 8.211 -0.063 17990 116 1 3 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.151 -0.273 17990 117 1 3 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.674 5.046 17990 118 1 3 . 1 1 10 10 LYS H H 10 7.971 7.971 7.608 0.363 17990 119 1 3 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.596 -0.150 17990 120 1 3 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.006 -0.916 17990 121 1 3 . 1 1 11 11 ASP H H 11 8.133 8.133 7.880 0.253 17990 122 1 3 . 1 1 12 12 MET HA H 12 4.256 4.256 4.618 -0.362 17990 123 1 3 . 1 1 12 12 MET CA C 12 57.390 57.390 56.984 0.406 17990 124 1 3 . 1 1 12 12 MET H H 12 7.980 7.980 7.365 0.615 17990 125 1 3 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.447 -1.957 17990 126 1 3 . 1 1 16 16 GLY H H 16 8.375 8.375 8.249 0.126 17990 127 1 3 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.049 -0.749 17990 128 1 3 . 1 1 17 17 GLY H H 17 8.046 8.046 8.367 -0.321 17990 129 1 3 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.260 0.168 17990 130 1 3 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.156 0.124 17990 131 1 3 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990 132 1 3 . 1 1 20 20 GLY H H 20 8.415 8.415 8.535 -0.120 17990 133 1 3 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.196 0.124 17990 134 1 3 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.624 -0.604 17990 135 1 3 . 1 1 21 21 ALA H H 21 8.002 8.002 7.836 0.166 17990 136 1 3 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.775 -0.213 17990 137 1 3 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.554 1.766 17990 138 1 3 . 1 1 22 22 GLU H H 22 8.318 8.318 8.291 0.027 17990 139 1 4 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.002 0.284 17990 140 1 4 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.840 0.300 17990 141 1 4 . 1 1 2 2 LEU H H 2 8.708 8.708 8.260 0.448 17990 142 1 4 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.980 -0.630 17990 143 1 4 . 1 1 3 3 GLY H H 3 8.955 8.955 7.488 1.467 17990 144 1 4 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.545 -0.248 17990 145 1 4 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.819 0.311 17990 146 1 4 . 1 1 4 4 PHE H H 4 7.852 7.852 8.261 -0.409 17990 147 1 4 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.549 0.593 17990 148 1 4 . 1 1 5 5 PHE CA C 5 60.950 60.950 57.956 2.994 17990 149 1 4 . 1 1 5 5 PHE H H 5 7.629 7.629 6.759 0.870 17990 150 1 4 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.757 0.290 17990 151 1 4 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.803 -0.453 17990 152 1 4 . 1 1 6 6 LYS H H 6 7.856 7.856 7.346 0.510 17990 153 1 4 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.167 -0.124 17990 154 1 4 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.757 -0.187 17990 155 1 4 . 1 1 7 7 ARG H H 7 8.164 8.164 7.456 0.708 17990 156 1 4 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.163 -0.025 17990 157 1 4 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.608 -1.518 17990 158 1 4 . 1 1 8 8 GLN H H 8 7.941 7.941 7.519 0.422 17990 159 1 4 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.465 -0.317 17990 160 1 4 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.337 2.583 17990 161 1 4 . 1 1 9 9 TYR H H 9 8.148 8.148 8.211 -0.063 17990 162 1 4 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.132 -0.254 17990 163 1 4 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.722 4.998 17990 164 1 4 . 1 1 10 10 LYS H H 10 7.971 7.971 7.589 0.382 17990 165 1 4 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.562 -0.116 17990 166 1 4 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.208 -1.118 17990 167 1 4 . 1 1 11 11 ASP H H 11 8.133 8.133 7.888 0.245 17990 168 1 4 . 1 1 12 12 MET HA H 12 4.256 4.256 4.519 -0.263 17990 169 1 4 . 1 1 12 12 MET CA C 12 57.390 57.390 57.097 0.293 17990 170 1 4 . 1 1 12 12 MET H H 12 7.980 7.980 7.383 0.597 17990 171 1 4 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.389 -1.899 17990 172 1 4 . 1 1 16 16 GLY H H 16 8.375 8.375 8.157 0.218 17990 173 1 4 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.033 -0.733 17990 174 1 4 . 1 1 17 17 GLY H H 17 8.046 8.046 8.345 -0.299 17990 175 1 4 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990 176 1 4 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.151 0.129 17990 177 1 4 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.442 -0.292 17990 178 1 4 . 1 1 20 20 GLY H H 20 8.415 8.415 8.536 -0.121 17990 179 1 4 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.218 0.102 17990 180 1 4 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.885 -0.865 17990 181 1 4 . 1 1 21 21 ALA H H 21 8.002 8.002 7.792 0.210 17990 182 1 4 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.812 -0.250 17990 183 1 4 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.144 2.176 17990 184 1 4 . 1 1 22 22 GLU H H 22 8.318 8.318 8.280 0.038 17990 185 1 5 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.054 0.232 17990 186 1 5 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.947 0.193 17990 187 1 5 . 1 1 2 2 LEU H H 2 8.708 8.708 8.281 0.427 17990 188 1 5 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.993 -0.643 17990 189 1 5 . 1 1 3 3 GLY H H 3 8.955 8.955 7.507 1.448 17990 190 1 5 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.421 -0.124 17990 191 1 5 . 1 1 4 4 PHE CA C 4 60.130 60.130 60.294 -0.164 17990 192 1 5 . 1 1 4 4 PHE H H 4 7.852 7.852 8.234 -0.382 17990 193 1 5 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.540 0.602 17990 194 1 5 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.853 2.096 17990 195 1 5 . 1 1 5 5 PHE H H 5 7.629 7.629 6.801 0.828 17990 196 1 5 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.784 0.263 17990 197 1 5 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.331 0.019 17990 198 1 5 . 1 1 6 6 LYS H H 6 7.856 7.856 7.386 0.470 17990 199 1 5 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.186 -0.143 17990 200 1 5 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.057 0.513 17990 201 1 5 . 1 1 7 7 ARG H H 7 8.164 8.164 7.452 0.712 17990 202 1 5 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.223 -0.085 17990 203 1 5 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.363 -1.273 17990 204 1 5 . 1 1 8 8 GLN H H 8 7.941 7.941 7.597 0.344 17990 205 1 5 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.368 -0.220 17990 206 1 5 . 1 1 9 9 TYR CA C 9 60.920 60.920 59.012 1.908 17990 207 1 5 . 1 1 9 9 TYR H H 9 8.148 8.148 8.277 -0.129 17990 208 1 5 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.113 -0.235 17990 209 1 5 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.426 5.294 17990 210 1 5 . 1 1 10 10 LYS H H 10 7.971 7.971 7.532 0.439 17990 211 1 5 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.564 -0.118 17990 212 1 5 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.787 -1.697 17990 213 1 5 . 1 1 11 11 ASP H H 11 8.133 8.133 7.701 0.432 17990 214 1 5 . 1 1 12 12 MET HA H 12 4.256 4.256 4.324 -0.068 17990 215 1 5 . 1 1 12 12 MET CA C 12 57.390 57.390 56.796 0.594 17990 216 1 5 . 1 1 12 12 MET H H 12 7.980 7.980 7.399 0.581 17990 217 1 5 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.428 -1.938 17990 218 1 5 . 1 1 16 16 GLY H H 16 8.375 8.375 8.226 0.149 17990 219 1 5 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.031 -0.731 17990 220 1 5 . 1 1 17 17 GLY H H 17 8.046 8.046 8.332 -0.286 17990 221 1 5 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.259 0.169 17990 222 1 5 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.168 0.112 17990 223 1 5 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.465 -0.315 17990 224 1 5 . 1 1 20 20 GLY H H 20 8.415 8.415 8.515 -0.100 17990 225 1 5 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.206 0.114 17990 226 1 5 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.598 -0.578 17990 227 1 5 . 1 1 21 21 ALA H H 21 8.002 8.002 7.919 0.083 17990 228 1 5 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.702 -0.140 17990 229 1 5 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.252 2.068 17990 230 1 5 . 1 1 22 22 GLU H H 22 8.318 8.318 8.180 0.138 17990 231 1 6 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.047 0.239 17990 232 1 6 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.938 0.202 17990 233 1 6 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990 234 1 6 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.986 -0.636 17990 235 1 6 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990 236 1 6 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.405 -0.108 17990 237 1 6 . 1 1 4 4 PHE CA C 4 60.130 60.130 60.378 -0.248 17990 238 1 6 . 1 1 4 4 PHE H H 4 7.852 7.852 8.224 -0.372 17990 239 1 6 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.529 0.613 17990 240 1 6 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.840 2.110 17990 241 1 6 . 1 1 5 5 PHE H H 5 7.629 7.629 6.794 0.835 17990 242 1 6 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.758 0.289 17990 243 1 6 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.365 -0.015 17990 244 1 6 . 1 1 6 6 LYS H H 6 7.856 7.856 7.307 0.549 17990 245 1 6 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.167 -0.124 17990 246 1 6 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.615 -0.045 17990 247 1 6 . 1 1 7 7 ARG H H 7 8.164 8.164 7.447 0.717 17990 248 1 6 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.185 -0.047 17990 249 1 6 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.667 -1.577 17990 250 1 6 . 1 1 8 8 GLN H H 8 7.941 7.941 7.651 0.290 17990 251 1 6 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.466 -0.318 17990 252 1 6 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.039 2.881 17990 253 1 6 . 1 1 9 9 TYR H H 9 8.148 8.148 8.270 -0.122 17990 254 1 6 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.136 -0.258 17990 255 1 6 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.572 5.147 17990 256 1 6 . 1 1 10 10 LYS H H 10 7.971 7.971 7.622 0.349 17990 257 1 6 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.540 -0.094 17990 258 1 6 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.471 -1.381 17990 259 1 6 . 1 1 11 11 ASP H H 11 8.133 8.133 7.824 0.309 17990 260 1 6 . 1 1 12 12 MET HA H 12 4.256 4.256 4.516 -0.260 17990 261 1 6 . 1 1 12 12 MET CA C 12 57.390 57.390 57.004 0.386 17990 262 1 6 . 1 1 12 12 MET H H 12 7.980 7.980 7.374 0.606 17990 263 1 6 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.516 -2.026 17990 264 1 6 . 1 1 16 16 GLY H H 16 8.375 8.375 8.277 0.098 17990 265 1 6 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.034 -0.734 17990 266 1 6 . 1 1 17 17 GLY H H 17 8.046 8.046 8.325 -0.279 17990 267 1 6 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990 268 1 6 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.012 0.268 17990 269 1 6 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.473 -0.323 17990 270 1 6 . 1 1 20 20 GLY H H 20 8.415 8.415 8.517 -0.102 17990 271 1 6 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.231 0.089 17990 272 1 6 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.817 -0.797 17990 273 1 6 . 1 1 21 21 ALA H H 21 8.002 8.002 7.891 0.111 17990 274 1 6 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.730 -0.168 17990 275 1 6 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.314 2.006 17990 276 1 6 . 1 1 22 22 GLU H H 22 8.318 8.318 8.202 0.116 17990 277 1 7 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.003 0.283 17990 278 1 7 . 1 1 2 2 LEU CA C 2 57.140 57.140 57.118 0.022 17990 279 1 7 . 1 1 2 2 LEU H H 2 8.708 8.708 8.299 0.409 17990 280 1 7 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.965 -0.615 17990 281 1 7 . 1 1 3 3 GLY H H 3 8.955 8.955 7.531 1.424 17990 282 1 7 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.554 -0.257 17990 283 1 7 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.688 0.442 17990 284 1 7 . 1 1 4 4 PHE H H 4 7.852 7.852 8.267 -0.415 17990 285 1 7 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.385 0.757 17990 286 1 7 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.620 2.330 17990 287 1 7 . 1 1 5 5 PHE H H 5 7.629 7.629 6.796 0.833 17990 288 1 7 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.786 0.261 17990 289 1 7 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.274 0.076 17990 290 1 7 . 1 1 6 6 LYS H H 6 7.856 7.856 7.458 0.398 17990 291 1 7 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.225 -0.182 17990 292 1 7 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.212 0.359 17990 293 1 7 . 1 1 7 7 ARG H H 7 8.164 8.164 7.290 0.874 17990 294 1 7 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.253 -0.115 17990 295 1 7 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.187 -1.097 17990 296 1 7 . 1 1 8 8 GLN H H 8 7.941 7.941 7.528 0.413 17990 297 1 7 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.483 -0.335 17990 298 1 7 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.633 3.287 17990 299 1 7 . 1 1 9 9 TYR H H 9 8.148 8.148 8.243 -0.095 17990 300 1 7 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.208 -0.330 17990 301 1 7 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.357 5.363 17990 302 1 7 . 1 1 10 10 LYS H H 10 7.971 7.971 7.639 0.332 17990 303 1 7 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.535 -0.089 17990 304 1 7 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.438 -1.347 17990 305 1 7 . 1 1 11 11 ASP H H 11 8.133 8.133 7.839 0.294 17990 306 1 7 . 1 1 12 12 MET HA H 12 4.256 4.256 4.478 -0.222 17990 307 1 7 . 1 1 12 12 MET CA C 12 57.390 57.390 57.622 -0.232 17990 308 1 7 . 1 1 12 12 MET H H 12 7.980 7.980 7.367 0.613 17990 309 1 7 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.482 -1.992 17990 310 1 7 . 1 1 16 16 GLY H H 16 8.375 8.375 8.255 0.120 17990 311 1 7 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.037 -0.737 17990 312 1 7 . 1 1 17 17 GLY H H 17 8.046 8.046 8.432 -0.386 17990 313 1 7 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.225 0.203 17990 314 1 7 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.038 0.242 17990 315 1 7 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.477 -0.327 17990 316 1 7 . 1 1 20 20 GLY H H 20 8.415 8.415 8.532 -0.117 17990 317 1 7 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.239 0.081 17990 318 1 7 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.617 -0.597 17990 319 1 7 . 1 1 21 21 ALA H H 21 8.002 8.002 8.087 -0.085 17990 320 1 7 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.802 -0.240 17990 321 1 7 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.418 1.902 17990 322 1 7 . 1 1 22 22 GLU H H 22 8.318 8.318 8.415 -0.097 17990 323 1 8 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.080 0.206 17990 324 1 8 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.967 0.173 17990 325 1 8 . 1 1 2 2 LEU H H 2 8.708 8.708 8.292 0.416 17990 326 1 8 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.974 -0.624 17990 327 1 8 . 1 1 3 3 GLY H H 3 8.955 8.955 7.530 1.425 17990 328 1 8 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.533 -0.236 17990 329 1 8 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.856 0.274 17990 330 1 8 . 1 1 4 4 PHE H H 4 7.852 7.852 8.309 -0.457 17990 331 1 8 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.421 0.721 17990 332 1 8 . 1 1 5 5 PHE CA C 5 60.950 60.950 57.984 2.966 17990 333 1 8 . 1 1 5 5 PHE H H 5 7.629 7.629 6.760 0.869 17990 334 1 8 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.732 0.315 17990 335 1 8 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.745 -0.395 17990 336 1 8 . 1 1 6 6 LYS H H 6 7.856 7.856 7.315 0.541 17990 337 1 8 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.166 -0.123 17990 338 1 8 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.660 -0.090 17990 339 1 8 . 1 1 7 7 ARG H H 7 8.164 8.164 7.430 0.734 17990 340 1 8 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.183 -0.045 17990 341 1 8 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.782 -1.692 17990 342 1 8 . 1 1 8 8 GLN H H 8 7.941 7.941 7.590 0.351 17990 343 1 8 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.408 -0.260 17990 344 1 8 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.230 2.690 17990 345 1 8 . 1 1 9 9 TYR H H 9 8.148 8.148 8.289 -0.141 17990 346 1 8 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.124 -0.246 17990 347 1 8 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.516 5.204 17990 348 1 8 . 1 1 10 10 LYS H H 10 7.971 7.971 7.551 0.420 17990 349 1 8 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.562 -0.116 17990 350 1 8 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.755 -1.665 17990 351 1 8 . 1 1 11 11 ASP H H 11 8.133 8.133 7.794 0.339 17990 352 1 8 . 1 1 12 12 MET HA H 12 4.256 4.256 4.283 -0.027 17990 353 1 8 . 1 1 12 12 MET CA C 12 57.390 57.390 57.160 0.230 17990 354 1 8 . 1 1 12 12 MET H H 12 7.980 7.980 7.400 0.580 17990 355 1 8 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.432 -1.942 17990 356 1 8 . 1 1 16 16 GLY H H 16 8.375 8.375 8.386 -0.011 17990 357 1 8 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.058 -0.758 17990 358 1 8 . 1 1 17 17 GLY H H 17 8.046 8.046 8.370 -0.324 17990 359 1 8 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990 360 1 8 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.172 0.108 17990 361 1 8 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990 362 1 8 . 1 1 20 20 GLY H H 20 8.415 8.415 8.517 -0.102 17990 363 1 8 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.241 0.079 17990 364 1 8 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.708 -0.688 17990 365 1 8 . 1 1 21 21 ALA H H 21 8.002 8.002 8.016 -0.014 17990 366 1 8 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.699 -0.137 17990 367 1 8 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.390 1.930 17990 368 1 8 . 1 1 22 22 GLU H H 22 8.318 8.318 8.209 0.109 17990 369 1 9 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990 370 1 9 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.835 0.305 17990 371 1 9 . 1 1 2 2 LEU H H 2 8.708 8.708 8.258 0.450 17990 372 1 9 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.983 -0.633 17990 373 1 9 . 1 1 3 3 GLY H H 3 8.955 8.955 7.500 1.455 17990 374 1 9 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.541 -0.244 17990 375 1 9 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.876 0.254 17990 376 1 9 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990 377 1 9 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.499 0.643 17990 378 1 9 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.728 2.222 17990 379 1 9 . 1 1 5 5 PHE H H 5 7.629 7.629 6.811 0.818 17990 380 1 9 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.725 0.322 17990 381 1 9 . 1 1 6 6 LYS CA C 6 58.350 58.350 59.186 -0.836 17990 382 1 9 . 1 1 6 6 LYS H H 6 7.856 7.856 7.474 0.382 17990 383 1 9 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.140 -0.097 17990 384 1 9 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.714 -0.144 17990 385 1 9 . 1 1 7 7 ARG H H 7 8.164 8.164 7.359 0.805 17990 386 1 9 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.237 -0.099 17990 387 1 9 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.350 -1.260 17990 388 1 9 . 1 1 8 8 GLN H H 8 7.941 7.941 7.617 0.324 17990 389 1 9 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.389 -0.241 17990 390 1 9 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.574 2.346 17990 391 1 9 . 1 1 9 9 TYR H H 9 8.148 8.148 8.305 -0.157 17990 392 1 9 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.137 -0.259 17990 393 1 9 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.575 5.145 17990 394 1 9 . 1 1 10 10 LYS H H 10 7.971 7.971 7.614 0.357 17990 395 1 9 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.518 -0.072 17990 396 1 9 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.755 -1.665 17990 397 1 9 . 1 1 11 11 ASP H H 11 8.133 8.133 7.825 0.308 17990 398 1 9 . 1 1 12 12 MET HA H 12 4.256 4.256 4.286 -0.030 17990 399 1 9 . 1 1 12 12 MET CA C 12 57.390 57.390 57.385 0.005 17990 400 1 9 . 1 1 12 12 MET H H 12 7.980 7.980 7.424 0.556 17990 401 1 9 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.514 -2.024 17990 402 1 9 . 1 1 16 16 GLY H H 16 8.375 8.375 8.292 0.083 17990 403 1 9 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.055 -0.755 17990 404 1 9 . 1 1 17 17 GLY H H 17 8.046 8.046 8.355 -0.309 17990 405 1 9 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.199 0.229 17990 406 1 9 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.031 0.249 17990 407 1 9 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.464 -0.313 17990 408 1 9 . 1 1 20 20 GLY H H 20 8.415 8.415 8.538 -0.123 17990 409 1 9 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.186 0.134 17990 410 1 9 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.653 -0.633 17990 411 1 9 . 1 1 21 21 ALA H H 21 8.002 8.002 7.803 0.199 17990 412 1 9 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.775 -0.213 17990 413 1 9 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.459 1.861 17990 414 1 9 . 1 1 22 22 GLU H H 22 8.318 8.318 8.272 0.046 17990 415 1 10 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.022 0.264 17990 416 1 10 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.836 0.304 17990 417 1 10 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990 418 1 10 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.991 -0.641 17990 419 1 10 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990 420 1 10 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.547 -0.250 17990 421 1 10 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.835 0.295 17990 422 1 10 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990 423 1 10 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.538 0.604 17990 424 1 10 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.754 2.196 17990 425 1 10 . 1 1 5 5 PHE H H 5 7.629 7.629 6.806 0.823 17990 426 1 10 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.768 0.279 17990 427 1 10 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.358 -0.008 17990 428 1 10 . 1 1 6 6 LYS H H 6 7.856 7.856 7.331 0.525 17990 429 1 10 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.168 -0.125 17990 430 1 10 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.661 -0.091 17990 431 1 10 . 1 1 7 7 ARG H H 7 8.164 8.164 7.409 0.755 17990 432 1 10 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.174 -0.036 17990 433 1 10 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.687 -1.597 17990 434 1 10 . 1 1 8 8 GLN H H 8 7.941 7.941 7.524 0.417 17990 435 1 10 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.466 -0.319 17990 436 1 10 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.315 2.605 17990 437 1 10 . 1 1 9 9 TYR H H 9 8.148 8.148 8.321 -0.173 17990 438 1 10 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.149 -0.271 17990 439 1 10 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.359 5.361 17990 440 1 10 . 1 1 10 10 LYS H H 10 7.971 7.971 7.603 0.368 17990 441 1 10 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.534 -0.088 17990 442 1 10 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.547 -1.457 17990 443 1 10 . 1 1 11 11 ASP H H 11 8.133 8.133 7.856 0.277 17990 444 1 10 . 1 1 12 12 MET HA H 12 4.256 4.256 4.247 0.009 17990 445 1 10 . 1 1 12 12 MET CA C 12 57.390 57.390 58.167 -0.777 17990 446 1 10 . 1 1 12 12 MET H H 12 7.980 7.980 7.460 0.520 17990 447 1 10 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.407 -1.917 17990 448 1 10 . 1 1 16 16 GLY H H 16 8.375 8.375 8.200 0.175 17990 449 1 10 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.042 -0.742 17990 450 1 10 . 1 1 17 17 GLY H H 17 8.046 8.046 8.363 -0.317 17990 451 1 10 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990 452 1 10 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990 453 1 10 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.449 -0.299 17990 454 1 10 . 1 1 20 20 GLY H H 20 8.415 8.415 8.535 -0.120 17990 455 1 10 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.184 0.136 17990 456 1 10 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.635 -0.615 17990 457 1 10 . 1 1 21 21 ALA H H 21 8.002 8.002 7.830 0.172 17990 458 1 10 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.769 -0.207 17990 459 1 10 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.012 2.308 17990 460 1 10 . 1 1 22 22 GLU H H 22 8.318 8.318 8.270 0.048 17990 461 1 11 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.022 0.264 17990 462 1 11 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.837 0.303 17990 463 1 11 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990 464 1 11 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.990 -0.640 17990 465 1 11 . 1 1 3 3 GLY H H 3 8.955 8.955 7.512 1.443 17990 466 1 11 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.547 -0.250 17990 467 1 11 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.836 0.294 17990 468 1 11 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990 469 1 11 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.537 0.605 17990 470 1 11 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.774 2.176 17990 471 1 11 . 1 1 5 5 PHE H H 5 7.629 7.629 6.805 0.824 17990 472 1 11 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.754 0.293 17990 473 1 11 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.355 -0.005 17990 474 1 11 . 1 1 6 6 LYS H H 6 7.856 7.856 7.349 0.507 17990 475 1 11 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.106 -0.063 17990 476 1 11 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.817 -0.247 17990 477 1 11 . 1 1 7 7 ARG H H 7 8.164 8.164 7.492 0.672 17990 478 1 11 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.177 -0.039 17990 479 1 11 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.611 -1.521 17990 480 1 11 . 1 1 8 8 GLN H H 8 7.941 7.941 7.580 0.361 17990 481 1 11 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.476 -0.328 17990 482 1 11 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.988 2.932 17990 483 1 11 . 1 1 9 9 TYR H H 9 8.148 8.148 8.249 -0.101 17990 484 1 11 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.145 -0.267 17990 485 1 11 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.747 4.973 17990 486 1 11 . 1 1 10 10 LYS H H 10 7.971 7.971 7.613 0.358 17990 487 1 11 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.588 -0.142 17990 488 1 11 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.588 -1.498 17990 489 1 11 . 1 1 11 11 ASP H H 11 8.133 8.133 7.894 0.239 17990 490 1 11 . 1 1 12 12 MET HA H 12 4.256 4.256 4.469 -0.213 17990 491 1 11 . 1 1 12 12 MET CA C 12 57.390 57.390 57.738 -0.348 17990 492 1 11 . 1 1 12 12 MET H H 12 7.980 7.980 7.337 0.643 17990 493 1 11 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.428 -1.938 17990 494 1 11 . 1 1 16 16 GLY H H 16 8.375 8.375 8.365 0.010 17990 495 1 11 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.055 -0.755 17990 496 1 11 . 1 1 17 17 GLY H H 17 8.046 8.046 8.416 -0.370 17990 497 1 11 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990 498 1 11 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.147 0.133 17990 499 1 11 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.467 -0.316 17990 500 1 11 . 1 1 20 20 GLY H H 20 8.415 8.415 8.524 -0.109 17990 501 1 11 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.228 0.092 17990 502 1 11 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.620 -0.600 17990 503 1 11 . 1 1 21 21 ALA H H 21 8.002 8.002 8.028 -0.026 17990 504 1 11 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.802 -0.240 17990 505 1 11 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.334 1.986 17990 506 1 11 . 1 1 22 22 GLU H H 22 8.318 8.318 8.432 -0.114 17990 507 1 12 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.048 0.238 17990 508 1 12 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.938 0.202 17990 509 1 12 . 1 1 2 2 LEU H H 2 8.708 8.708 8.280 0.428 17990 510 1 12 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.980 -0.630 17990 511 1 12 . 1 1 3 3 GLY H H 3 8.955 8.955 7.512 1.443 17990 512 1 12 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.540 -0.243 17990 513 1 12 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.874 0.256 17990 514 1 12 . 1 1 4 4 PHE H H 4 7.852 7.852 8.292 -0.440 17990 515 1 12 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.504 0.638 17990 516 1 12 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.696 2.254 17990 517 1 12 . 1 1 5 5 PHE H H 5 7.629 7.629 6.804 0.825 17990 518 1 12 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.734 0.313 17990 519 1 12 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.758 -0.408 17990 520 1 12 . 1 1 6 6 LYS H H 6 7.856 7.856 7.298 0.558 17990 521 1 12 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.159 -0.116 17990 522 1 12 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.092 0.478 17990 523 1 12 . 1 1 7 7 ARG H H 7 8.164 8.164 7.380 0.784 17990 524 1 12 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.194 -0.056 17990 525 1 12 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.588 -1.498 17990 526 1 12 . 1 1 8 8 GLN H H 8 7.941 7.941 7.556 0.385 17990 527 1 12 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.351 -0.203 17990 528 1 12 . 1 1 9 9 TYR CA C 9 60.920 60.920 59.075 1.845 17990 529 1 12 . 1 1 9 9 TYR H H 9 8.148 8.148 8.415 -0.267 17990 530 1 12 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.094 -0.216 17990 531 1 12 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.888 4.832 17990 532 1 12 . 1 1 10 10 LYS H H 10 7.971 7.971 7.625 0.346 17990 533 1 12 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.486 -0.040 17990 534 1 12 . 1 1 11 11 ASP CA C 11 55.090 55.090 57.367 -2.277 17990 535 1 12 . 1 1 11 11 ASP H H 11 8.133 8.133 7.847 0.286 17990 536 1 12 . 1 1 12 12 MET HA H 12 4.256 4.256 4.305 -0.049 17990 537 1 12 . 1 1 12 12 MET CA C 12 57.390 57.390 57.198 0.192 17990 538 1 12 . 1 1 12 12 MET H H 12 7.980 7.980 7.436 0.544 17990 539 1 12 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.389 -1.899 17990 540 1 12 . 1 1 16 16 GLY H H 16 8.375 8.375 8.180 0.195 17990 541 1 12 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.054 -0.754 17990 542 1 12 . 1 1 17 17 GLY H H 17 8.046 8.046 8.336 -0.290 17990 543 1 12 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.260 0.168 17990 544 1 12 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990 545 1 12 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.438 -0.288 17990 546 1 12 . 1 1 20 20 GLY H H 20 8.415 8.415 8.534 -0.119 17990 547 1 12 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.233 0.087 17990 548 1 12 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.846 -0.827 17990 549 1 12 . 1 1 21 21 ALA H H 21 8.002 8.002 7.881 0.121 17990 550 1 12 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.774 -0.212 17990 551 1 12 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.418 1.902 17990 552 1 12 . 1 1 22 22 GLU H H 22 8.318 8.318 8.245 0.073 17990 553 1 13 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.020 0.266 17990 554 1 13 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.834 0.306 17990 555 1 13 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990 556 1 13 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.988 -0.638 17990 557 1 13 . 1 1 3 3 GLY H H 3 8.955 8.955 7.512 1.443 17990 558 1 13 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.418 -0.121 17990 559 1 13 . 1 1 4 4 PHE CA C 4 60.130 60.130 60.121 0.009 17990 560 1 13 . 1 1 4 4 PHE H H 4 7.852 7.852 8.195 -0.343 17990 561 1 13 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.528 0.614 17990 562 1 13 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.775 2.175 17990 563 1 13 . 1 1 5 5 PHE H H 5 7.629 7.629 6.802 0.827 17990 564 1 13 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.797 0.250 17990 565 1 13 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.348 0.002 17990 566 1 13 . 1 1 6 6 LYS H H 6 7.856 7.856 7.296 0.560 17990 567 1 13 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.215 -0.172 17990 568 1 13 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.027 0.543 17990 569 1 13 . 1 1 7 7 ARG H H 7 8.164 8.164 7.454 0.710 17990 570 1 13 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.189 -0.051 17990 571 1 13 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.857 -1.767 17990 572 1 13 . 1 1 8 8 GLN H H 8 7.941 7.941 7.575 0.366 17990 573 1 13 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.516 -0.368 17990 574 1 13 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.689 3.231 17990 575 1 13 . 1 1 9 9 TYR H H 9 8.148 8.148 8.241 -0.093 17990 576 1 13 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.157 -0.279 17990 577 1 13 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.548 5.172 17990 578 1 13 . 1 1 10 10 LYS H H 10 7.971 7.971 7.637 0.334 17990 579 1 13 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.582 -0.136 17990 580 1 13 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.463 -1.373 17990 581 1 13 . 1 1 11 11 ASP H H 11 8.133 8.133 7.826 0.307 17990 582 1 13 . 1 1 12 12 MET HA H 12 4.256 4.256 4.500 -0.244 17990 583 1 13 . 1 1 12 12 MET CA C 12 57.390 57.390 57.343 0.047 17990 584 1 13 . 1 1 12 12 MET H H 12 7.980 7.980 7.479 0.501 17990 585 1 13 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.647 -2.157 17990 586 1 13 . 1 1 16 16 GLY H H 16 8.375 8.375 8.376 -0.001 17990 587 1 13 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.032 -0.732 17990 588 1 13 . 1 1 17 17 GLY H H 17 8.046 8.046 8.441 -0.396 17990 589 1 13 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990 590 1 13 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.152 0.128 17990 591 1 13 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.454 -0.304 17990 592 1 13 . 1 1 20 20 GLY H H 20 8.415 8.415 8.539 -0.124 17990 593 1 13 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.228 0.092 17990 594 1 13 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.571 -0.551 17990 595 1 13 . 1 1 21 21 ALA H H 21 8.002 8.002 7.946 0.056 17990 596 1 13 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.824 -0.262 17990 597 1 13 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.663 1.657 17990 598 1 13 . 1 1 22 22 GLU H H 22 8.318 8.318 8.431 -0.113 17990 599 1 14 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990 600 1 14 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.832 0.308 17990 601 1 14 . 1 1 2 2 LEU H H 2 8.708 8.708 8.257 0.451 17990 602 1 14 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.985 -0.635 17990 603 1 14 . 1 1 3 3 GLY H H 3 8.955 8.955 7.500 1.455 17990 604 1 14 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.541 -0.244 17990 605 1 14 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.871 0.259 17990 606 1 14 . 1 1 4 4 PHE H H 4 7.852 7.852 8.261 -0.409 17990 607 1 14 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.501 0.641 17990 608 1 14 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.684 2.266 17990 609 1 14 . 1 1 5 5 PHE H H 5 7.629 7.629 6.807 0.822 17990 610 1 14 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.776 0.271 17990 611 1 14 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.792 -0.442 17990 612 1 14 . 1 1 6 6 LYS H H 6 7.856 7.856 7.387 0.469 17990 613 1 14 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.180 -0.137 17990 614 1 14 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.363 0.207 17990 615 1 14 . 1 1 7 7 ARG H H 7 8.164 8.164 7.504 0.660 17990 616 1 14 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.186 -0.048 17990 617 1 14 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.756 -1.666 17990 618 1 14 . 1 1 8 8 GLN H H 8 7.941 7.941 7.544 0.397 17990 619 1 14 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.479 -0.331 17990 620 1 14 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.858 3.062 17990 621 1 14 . 1 1 9 9 TYR H H 9 8.148 8.148 8.232 -0.083 17990 622 1 14 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.130 -0.252 17990 623 1 14 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.764 4.957 17990 624 1 14 . 1 1 10 10 LYS H H 10 7.971 7.971 7.618 0.353 17990 625 1 14 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.569 -0.123 17990 626 1 14 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.752 -1.662 17990 627 1 14 . 1 1 11 11 ASP H H 11 8.133 8.133 7.877 0.256 17990 628 1 14 . 1 1 12 12 MET HA H 12 4.256 4.256 4.472 -0.216 17990 629 1 14 . 1 1 12 12 MET CA C 12 57.390 57.390 57.711 -0.321 17990 630 1 14 . 1 1 12 12 MET H H 12 7.980 7.980 7.364 0.616 17990 631 1 14 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.555 -2.065 17990 632 1 14 . 1 1 16 16 GLY H H 16 8.375 8.375 8.305 0.070 17990 633 1 14 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.046 -0.746 17990 634 1 14 . 1 1 17 17 GLY H H 17 8.046 8.046 8.421 -0.375 17990 635 1 14 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.255 0.173 17990 636 1 14 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990 637 1 14 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.492 -0.342 17990 638 1 14 . 1 1 20 20 GLY H H 20 8.415 8.415 8.533 -0.118 17990 639 1 14 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.246 0.074 17990 640 1 14 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.730 -0.710 17990 641 1 14 . 1 1 21 21 ALA H H 21 8.002 8.002 8.081 -0.079 17990 642 1 14 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.801 -0.239 17990 643 1 14 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.474 1.846 17990 644 1 14 . 1 1 22 22 GLU H H 22 8.318 8.318 8.405 -0.087 17990 645 1 15 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990 646 1 15 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.832 0.308 17990 647 1 15 . 1 1 2 2 LEU H H 2 8.708 8.708 8.257 0.451 17990 648 1 15 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.981 -0.631 17990 649 1 15 . 1 1 3 3 GLY H H 3 8.955 8.955 7.508 1.447 17990 650 1 15 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.543 -0.246 17990 651 1 15 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.832 0.298 17990 652 1 15 . 1 1 4 4 PHE H H 4 7.852 7.852 8.260 -0.408 17990 653 1 15 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.494 0.648 17990 654 1 15 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.204 2.746 17990 655 1 15 . 1 1 5 5 PHE H H 5 7.629 7.629 6.743 0.886 17990 656 1 15 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.755 0.292 17990 657 1 15 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.805 -0.455 17990 658 1 15 . 1 1 6 6 LYS H H 6 7.856 7.856 7.336 0.520 17990 659 1 15 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.168 -0.125 17990 660 1 15 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.708 -0.138 17990 661 1 15 . 1 1 7 7 ARG H H 7 8.164 8.164 7.458 0.706 17990 662 1 15 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.195 -0.057 17990 663 1 15 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.690 -1.600 17990 664 1 15 . 1 1 8 8 GLN H H 8 7.941 7.941 7.680 0.261 17990 665 1 15 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.388 -0.240 17990 666 1 15 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.514 2.406 17990 667 1 15 . 1 1 9 9 TYR H H 9 8.148 8.148 8.287 -0.139 17990 668 1 15 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.097 -0.219 17990 669 1 15 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.743 4.977 17990 670 1 15 . 1 1 10 10 LYS H H 10 7.971 7.971 7.571 0.400 17990 671 1 15 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.502 -0.056 17990 672 1 15 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.666 -1.576 17990 673 1 15 . 1 1 11 11 ASP H H 11 8.133 8.133 7.829 0.304 17990 674 1 15 . 1 1 12 12 MET HA H 12 4.256 4.256 4.465 -0.209 17990 675 1 15 . 1 1 12 12 MET CA C 12 57.390 57.390 56.951 0.439 17990 676 1 15 . 1 1 12 12 MET H H 12 7.980 7.980 7.374 0.606 17990 677 1 15 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.501 -2.011 17990 678 1 15 . 1 1 16 16 GLY H H 16 8.375 8.375 8.349 0.026 17990 679 1 15 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.033 -0.733 17990 680 1 15 . 1 1 17 17 GLY H H 17 8.046 8.046 8.339 -0.293 17990 681 1 15 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990 682 1 15 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.166 0.114 17990 683 1 15 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990 684 1 15 . 1 1 20 20 GLY H H 20 8.415 8.415 8.512 -0.097 17990 685 1 15 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.191 0.129 17990 686 1 15 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.603 -0.583 17990 687 1 15 . 1 1 21 21 ALA H H 21 8.002 8.002 7.884 0.118 17990 688 1 15 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.711 -0.149 17990 689 1 15 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.130 2.189 17990 690 1 15 . 1 1 22 22 GLU H H 22 8.318 8.318 8.222 0.096 17990 691 1 16 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.018 0.268 17990 692 1 16 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.828 0.312 17990 693 1 16 . 1 1 2 2 LEU H H 2 8.708 8.708 8.256 0.452 17990 694 1 16 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.981 -0.631 17990 695 1 16 . 1 1 3 3 GLY H H 3 8.955 8.955 7.508 1.447 17990 696 1 16 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990 697 1 16 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.835 0.295 17990 698 1 16 . 1 1 4 4 PHE H H 4 7.852 7.852 8.258 -0.406 17990 699 1 16 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.498 0.644 17990 700 1 16 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.676 2.274 17990 701 1 16 . 1 1 5 5 PHE H H 5 7.629 7.629 6.807 0.822 17990 702 1 16 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.745 0.302 17990 703 1 16 . 1 1 6 6 LYS CA C 6 58.350 58.350 59.048 -0.698 17990 704 1 16 . 1 1 6 6 LYS H H 6 7.856 7.856 7.454 0.402 17990 705 1 16 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.181 -0.138 17990 706 1 16 . 1 1 7 7 ARG CA C 7 58.570 58.570 57.752 0.818 17990 707 1 16 . 1 1 7 7 ARG H H 7 8.164 8.164 7.471 0.693 17990 708 1 16 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.201 -0.063 17990 709 1 16 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.780 -1.690 17990 710 1 16 . 1 1 8 8 GLN H H 8 7.941 7.941 7.582 0.359 17990 711 1 16 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.410 -0.262 17990 712 1 16 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.523 2.397 17990 713 1 16 . 1 1 9 9 TYR H H 9 8.148 8.148 8.332 -0.184 17990 714 1 16 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.183 -0.305 17990 715 1 16 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.640 5.080 17990 716 1 16 . 1 1 10 10 LYS H H 10 7.971 7.971 7.616 0.355 17990 717 1 16 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.612 -0.166 17990 718 1 16 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.650 -1.560 17990 719 1 16 . 1 1 11 11 ASP H H 11 8.133 8.133 7.850 0.283 17990 720 1 16 . 1 1 12 12 MET HA H 12 4.256 4.256 4.264 -0.008 17990 721 1 16 . 1 1 12 12 MET CA C 12 57.390 57.390 57.871 -0.481 17990 722 1 16 . 1 1 12 12 MET H H 12 7.980 7.980 7.481 0.499 17990 723 1 16 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.678 -2.188 17990 724 1 16 . 1 1 16 16 GLY H H 16 8.375 8.375 8.449 -0.074 17990 725 1 16 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.030 -0.730 17990 726 1 16 . 1 1 17 17 GLY H H 17 8.046 8.046 8.443 -0.397 17990 727 1 16 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.223 0.205 17990 728 1 16 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.032 0.248 17990 729 1 16 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.447 -0.297 17990 730 1 16 . 1 1 20 20 GLY H H 20 8.415 8.415 8.539 -0.124 17990 731 1 16 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.255 0.065 17990 732 1 16 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.686 -0.666 17990 733 1 16 . 1 1 21 21 ALA H H 21 8.002 8.002 8.035 -0.033 17990 734 1 16 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.807 -0.245 17990 735 1 16 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.457 1.863 17990 736 1 16 . 1 1 22 22 GLU H H 22 8.318 8.318 8.430 -0.112 17990 737 1 17 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.006 0.280 17990 738 1 17 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.853 0.287 17990 739 1 17 . 1 1 2 2 LEU H H 2 8.708 8.708 8.260 0.448 17990 740 1 17 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.994 -0.644 17990 741 1 17 . 1 1 3 3 GLY H H 3 8.955 8.955 7.482 1.473 17990 742 1 17 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.547 -0.250 17990 743 1 17 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.859 0.271 17990 744 1 17 . 1 1 4 4 PHE H H 4 7.852 7.852 8.272 -0.420 17990 745 1 17 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.536 0.606 17990 746 1 17 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.741 2.209 17990 747 1 17 . 1 1 5 5 PHE H H 5 7.629 7.629 6.809 0.820 17990 748 1 17 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.813 0.234 17990 749 1 17 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.339 0.011 17990 750 1 17 . 1 1 6 6 LYS H H 6 7.856 7.856 7.388 0.468 17990 751 1 17 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.232 -0.189 17990 752 1 17 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.032 0.538 17990 753 1 17 . 1 1 7 7 ARG H H 7 8.164 8.164 7.467 0.697 17990 754 1 17 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.194 -0.056 17990 755 1 17 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.715 -1.625 17990 756 1 17 . 1 1 8 8 GLN H H 8 7.941 7.941 7.530 0.411 17990 757 1 17 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.460 -0.312 17990 758 1 17 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.420 2.500 17990 759 1 17 . 1 1 9 9 TYR H H 9 8.148 8.148 8.320 -0.172 17990 760 1 17 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.138 -0.260 17990 761 1 17 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.684 5.036 17990 762 1 17 . 1 1 10 10 LYS H H 10 7.971 7.971 7.669 0.302 17990 763 1 17 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.543 -0.097 17990 764 1 17 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.935 -1.845 17990 765 1 17 . 1 1 11 11 ASP H H 11 8.133 8.133 7.820 0.313 17990 766 1 17 . 1 1 12 12 MET HA H 12 4.256 4.256 4.451 -0.195 17990 767 1 17 . 1 1 12 12 MET CA C 12 57.390 57.390 57.975 -0.585 17990 768 1 17 . 1 1 12 12 MET H H 12 7.980 7.980 7.499 0.481 17990 769 1 17 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.331 -1.841 17990 770 1 17 . 1 1 16 16 GLY H H 16 8.375 8.375 8.313 0.062 17990 771 1 17 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.096 -0.796 17990 772 1 17 . 1 1 17 17 GLY H H 17 8.046 8.046 8.535 -0.489 17990 773 1 17 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.277 0.151 17990 774 1 17 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.154 0.126 17990 775 1 17 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.541 -0.390 17990 776 1 17 . 1 1 20 20 GLY H H 20 8.415 8.415 8.614 -0.199 17990 777 1 17 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.174 0.146 17990 778 1 17 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.693 -0.673 17990 779 1 17 . 1 1 21 21 ALA H H 21 8.002 8.002 8.155 -0.153 17990 780 1 17 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.758 -0.196 17990 781 1 17 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.161 2.159 17990 782 1 17 . 1 1 22 22 GLU H H 22 8.318 8.318 8.320 -0.002 17990 783 1 18 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.046 0.240 17990 784 1 18 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.935 0.205 17990 785 1 18 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990 786 1 18 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.981 -0.631 17990 787 1 18 . 1 1 3 3 GLY H H 3 8.955 8.955 7.499 1.456 17990 788 1 18 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.535 -0.238 17990 789 1 18 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.919 0.211 17990 790 1 18 . 1 1 4 4 PHE H H 4 7.852 7.852 8.288 -0.436 17990 791 1 18 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.490 0.652 17990 792 1 18 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.767 2.183 17990 793 1 18 . 1 1 5 5 PHE H H 5 7.629 7.629 6.790 0.839 17990 794 1 18 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.735 0.312 17990 795 1 18 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.803 -0.453 17990 796 1 18 . 1 1 6 6 LYS H H 6 7.856 7.856 7.388 0.468 17990 797 1 18 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.190 -0.147 17990 798 1 18 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.636 -0.066 17990 799 1 18 . 1 1 7 7 ARG H H 7 8.164 8.164 7.335 0.829 17990 800 1 18 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.187 -0.049 17990 801 1 18 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.463 -1.373 17990 802 1 18 . 1 1 8 8 GLN H H 8 7.941 7.941 7.555 0.386 17990 803 1 18 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.468 -0.320 17990 804 1 18 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.961 1.959 17990 805 1 18 . 1 1 9 9 TYR H H 9 8.148 8.148 8.313 -0.165 17990 806 1 18 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.132 -0.254 17990 807 1 18 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.810 4.910 17990 808 1 18 . 1 1 10 10 LYS H H 10 7.971 7.971 7.629 0.342 17990 809 1 18 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.531 -0.085 17990 810 1 18 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.526 -1.436 17990 811 1 18 . 1 1 11 11 ASP H H 11 8.133 8.133 7.889 0.244 17990 812 1 18 . 1 1 12 12 MET HA H 12 4.256 4.256 4.332 -0.076 17990 813 1 18 . 1 1 12 12 MET CA C 12 57.390 57.390 57.518 -0.128 17990 814 1 18 . 1 1 12 12 MET H H 12 7.980 7.980 7.471 0.509 17990 815 1 18 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.559 -2.069 17990 816 1 18 . 1 1 16 16 GLY H H 16 8.375 8.375 8.329 0.046 17990 817 1 18 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.028 -0.728 17990 818 1 18 . 1 1 17 17 GLY H H 17 8.046 8.046 8.444 -0.398 17990 819 1 18 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.256 0.172 17990 820 1 18 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.149 0.131 17990 821 1 18 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.451 -0.301 17990 822 1 18 . 1 1 20 20 GLY H H 20 8.415 8.415 8.537 -0.122 17990 823 1 18 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.246 0.074 17990 824 1 18 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.543 -0.523 17990 825 1 18 . 1 1 21 21 ALA H H 21 8.002 8.002 8.041 -0.039 17990 826 1 18 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.805 -0.243 17990 827 1 18 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.451 1.869 17990 828 1 18 . 1 1 22 22 GLU H H 22 8.318 8.318 8.433 -0.115 17990 829 1 19 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.028 0.258 17990 830 1 19 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.907 0.233 17990 831 1 19 . 1 1 2 2 LEU H H 2 8.708 8.708 8.268 0.440 17990 832 1 19 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.983 -0.632 17990 833 1 19 . 1 1 3 3 GLY H H 3 8.955 8.955 7.522 1.433 17990 834 1 19 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990 835 1 19 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.841 0.289 17990 836 1 19 . 1 1 4 4 PHE H H 4 7.852 7.852 8.260 -0.408 17990 837 1 19 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.500 0.642 17990 838 1 19 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.686 2.264 17990 839 1 19 . 1 1 5 5 PHE H H 5 7.629 7.629 6.810 0.819 17990 840 1 19 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.751 0.296 17990 841 1 19 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.793 -0.443 17990 842 1 19 . 1 1 6 6 LYS H H 6 7.856 7.856 7.325 0.531 17990 843 1 19 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.175 -0.132 17990 844 1 19 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.681 -0.111 17990 845 1 19 . 1 1 7 7 ARG H H 7 8.164 8.164 7.454 0.710 17990 846 1 19 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.172 -0.034 17990 847 1 19 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.629 -1.539 17990 848 1 19 . 1 1 8 8 GLN H H 8 7.941 7.941 7.532 0.409 17990 849 1 19 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.444 -0.296 17990 850 1 19 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.616 2.304 17990 851 1 19 . 1 1 9 9 TYR H H 9 8.148 8.148 8.271 -0.123 17990 852 1 19 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.181 -0.303 17990 853 1 19 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.786 4.934 17990 854 1 19 . 1 1 10 10 LYS H H 10 7.971 7.971 7.672 0.299 17990 855 1 19 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.548 -0.102 17990 856 1 19 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.226 -1.136 17990 857 1 19 . 1 1 11 11 ASP H H 11 8.133 8.133 7.883 0.250 17990 858 1 19 . 1 1 12 12 MET HA H 12 4.256 4.256 4.335 -0.079 17990 859 1 19 . 1 1 12 12 MET CA C 12 57.390 57.390 57.873 -0.483 17990 860 1 19 . 1 1 12 12 MET H H 12 7.980 7.980 7.473 0.507 17990 861 1 19 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.573 -2.083 17990 862 1 19 . 1 1 16 16 GLY H H 16 8.375 8.375 8.579 -0.204 17990 863 1 19 . 1 1 17 17 GLY CA C 17 44.300 44.300 44.946 -0.646 17990 864 1 19 . 1 1 17 17 GLY H H 17 8.046 8.046 8.522 -0.476 17990 865 1 19 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.261 0.167 17990 866 1 19 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.137 0.143 17990 867 1 19 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.541 -0.391 17990 868 1 19 . 1 1 20 20 GLY H H 20 8.415 8.415 8.506 -0.091 17990 869 1 19 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.266 0.054 17990 870 1 19 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.623 -0.603 17990 871 1 19 . 1 1 21 21 ALA H H 21 8.002 8.002 8.034 -0.032 17990 872 1 19 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.804 -0.242 17990 873 1 19 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.433 1.887 17990 874 1 19 . 1 1 22 22 GLU H H 22 8.318 8.318 8.439 -0.121 17990 875 1 20 . 1 1 2 2 LEU HA H 2 4.286 4.286 4.052 0.234 17990 876 1 20 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.942 0.198 17990 877 1 20 . 1 1 2 2 LEU H H 2 8.708 8.708 8.279 0.429 17990 878 1 20 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.989 -0.639 17990 879 1 20 . 1 1 3 3 GLY H H 3 8.955 8.955 7.514 1.441 17990 880 1 20 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.542 -0.245 17990 881 1 20 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.885 0.245 17990 882 1 20 . 1 1 4 4 PHE H H 4 7.852 7.852 8.294 -0.442 17990 883 1 20 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.533 0.609 17990 884 1 20 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.832 2.118 17990 885 1 20 . 1 1 5 5 PHE H H 5 7.629 7.629 6.797 0.832 17990 886 1 20 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.740 0.307 17990 887 1 20 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.349 0.001 17990 888 1 20 . 1 1 6 6 LYS H H 6 7.856 7.856 7.335 0.521 17990 889 1 20 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.152 -0.109 17990 890 1 20 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.670 -0.100 17990 891 1 20 . 1 1 7 7 ARG H H 7 8.164 8.164 7.442 0.722 17990 892 1 20 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.162 -0.024 17990 893 1 20 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.636 -1.546 17990 894 1 20 . 1 1 8 8 GLN H H 8 7.941 7.941 7.558 0.383 17990 895 1 20 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.484 -0.336 17990 896 1 20 . 1 1 9 9 TYR CA C 9 60.920 60.920 57.961 2.959 17990 897 1 20 . 1 1 9 9 TYR H H 9 8.148 8.148 8.262 -0.114 17990 898 1 20 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.147 -0.269 17990 899 1 20 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.471 5.249 17990 900 1 20 . 1 1 10 10 LYS H H 10 7.971 7.971 7.546 0.425 17990 901 1 20 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.602 -0.156 17990 902 1 20 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.044 -0.954 17990 903 1 20 . 1 1 11 11 ASP H H 11 8.133 8.133 7.842 0.291 17990 904 1 20 . 1 1 12 12 MET HA H 12 4.256 4.256 4.482 -0.226 17990 905 1 20 . 1 1 12 12 MET CA C 12 57.390 57.390 57.333 0.057 17990 906 1 20 . 1 1 12 12 MET H H 12 7.980 7.980 7.433 0.547 17990 907 1 20 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.648 -2.158 17990 908 1 20 . 1 1 16 16 GLY H H 16 8.375 8.375 8.441 -0.066 17990 909 1 20 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.022 -0.722 17990 910 1 20 . 1 1 17 17 GLY H H 17 8.046 8.046 8.439 -0.393 17990 911 1 20 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.235 0.193 17990 912 1 20 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.042 0.238 17990 913 1 20 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.443 -0.293 17990 914 1 20 . 1 1 20 20 GLY H H 20 8.415 8.415 8.536 -0.121 17990 915 1 20 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.233 0.087 17990 916 1 20 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.570 -0.550 17990 917 1 20 . 1 1 21 21 ALA H H 21 8.002 8.002 7.952 0.050 17990 918 1 20 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.826 -0.264 17990 919 1 20 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.742 1.578 17990 920 1 20 . 1 1 22 22 GLU H H 22 8.318 8.318 8.428 -0.110 17990 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 17990 2 1 1 "Average Difference" HA 21 0.291 -0.116 0.273 17990 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17990 4 1 1 "Average Difference" CA 17 1.707 -0.311 1.730 17990 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17990 6 1 1 "Average Difference" HN 16 0.554 -0.316 0.469 17990 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17990 8 1 2 "Average Difference" HA 21 0.291 -0.109 0.277 17990 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17990 10 1 2 "Average Difference" CA 17 1.841 -0.388 1.855 17990 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17990 12 1 2 "Average Difference" HN 16 0.556 -0.310 0.477 17990 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17990 14 1 3 "Average Difference" HA 21 0.301 -0.100 0.291 17990 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17990 16 1 3 "Average Difference" CA 17 1.696 -0.416 1.695 17990 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17990 18 1 3 "Average Difference" HN 16 0.553 -0.314 0.470 17990 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17990 20 1 4 "Average Difference" HA 21 0.294 -0.111 0.279 17990 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17990 22 1 4 "Average Difference" CA 17 1.796 -0.358 1.814 17990 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17990 24 1 4 "Average Difference" HN 16 0.558 -0.326 0.467 17990 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17990 26 1 5 "Average Difference" HA 21 0.275 -0.131 0.248 17990 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17990 28 1 5 "Average Difference" CA 17 1.726 -0.321 1.749 17990 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17990 30 1 5 "Average Difference" HN 16 0.549 -0.322 0.460 17990 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17990 32 1 6 "Average Difference" HA 21 0.287 -0.120 0.267 17990 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17990 34 1 6 "Average Difference" CA 17 1.779 -0.307 1.806 17990 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17990 36 1 6 "Average Difference" HN 16 0.543 -0.311 0.460 17990 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17990 38 1 7 "Average Difference" HA 21 0.318 -0.114 0.304 17990 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17990 40 1 7 "Average Difference" CA 17 1.838 -0.416 1.845 17990 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17990 42 1 7 "Average Difference" HN 16 0.555 -0.282 0.494 17990 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17990 44 1 8 "Average Difference" HA 21 0.294 -0.135 0.268 17990 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17990 46 1 8 "Average Difference" CA 17 1.849 -0.319 1.877 17990 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17990 48 1 8 "Average Difference" HN 16 0.553 -0.296 0.483 17990 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17990 50 1 9 "Average Difference" HA 21 0.292 -0.134 0.265 17990 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17990 52 1 9 "Average Difference" CA 17 1.736 -0.242 1.772 17990 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17990 54 1 9 "Average Difference" HN 16 0.546 -0.299 0.472 17990 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17990 56 1 10 "Average Difference" HA 21 0.287 -0.126 0.264 17990 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17990 58 1 10 "Average Difference" CA 17 1.819 -0.297 1.850 17990 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17990 60 1 10 "Average Difference" HN 16 0.550 -0.309 0.470 17990 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17990 62 1 11 "Average Difference" HA 21 0.299 -0.121 0.280 17990 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17990 64 1 11 "Average Difference" CA 17 1.751 -0.290 1.780 17990 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17990 66 1 11 "Average Difference" HN 16 0.545 -0.274 0.486 17990 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17990 68 1 12 "Average Difference" HA 21 0.283 -0.133 0.255 17990 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17990 70 1 12 "Average Difference" CA 17 1.694 -0.206 1.733 17990 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17990 72 1 12 "Average Difference" HN 16 0.556 -0.304 0.480 17990 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17990 74 1 13 "Average Difference" HA 21 0.302 -0.117 0.286 17990 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17990 76 1 13 "Average Difference" CA 17 1.816 -0.338 1.839 17990 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17990 78 1 13 "Average Difference" HN 16 0.542 -0.280 0.479 17990 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17990 80 1 14 "Average Difference" HA 21 0.300 -0.116 0.283 17990 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17990 82 1 14 "Average Difference" CA 17 1.789 -0.262 1.824 17990 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17990 84 1 14 "Average Difference" HN 16 0.543 -0.275 0.484 17990 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17990 86 1 15 "Average Difference" HA 21 0.290 -0.129 0.266 17990 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17990 88 1 15 "Average Difference" CA 17 1.782 -0.321 1.806 17990 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17990 90 1 15 "Average Difference" HN 16 0.550 -0.305 0.473 17990 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17990 92 1 16 "Average Difference" HA 21 0.303 -0.132 0.280 17990 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17990 94 1 16 "Average Difference" CA 17 1.772 -0.256 1.807 17990 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17990 96 1 16 "Average Difference" HN 16 0.536 -0.249 0.490 17990 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17990 98 1 17 "Average Difference" HA 21 0.295 -0.118 0.277 17990 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17990 100 1 17 "Average Difference" CA 17 1.766 -0.279 1.798 17990 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17990 102 1 17 "Average Difference" HN 16 0.550 -0.253 0.505 17990 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17990 104 1 18 "Average Difference" HA 21 0.301 -0.131 0.278 17990 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17990 106 1 18 "Average Difference" CA 17 1.646 -0.221 1.681 17990 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17990 108 1 18 "Average Difference" HN 16 0.554 -0.267 0.501 17990 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17990 110 1 19 "Average Difference" HA 21 0.292 -0.119 0.273 17990 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17990 112 1 19 "Average Difference" CA 17 1.685 -0.235 1.720 17990 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17990 114 1 19 "Average Difference" HN 16 0.545 -0.247 0.502 17990 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17990 116 1 20 "Average Difference" HA 21 0.304 -0.120 0.286 17990 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17990 118 1 20 "Average Difference" CA 17 1.761 -0.334 1.782 17990 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17990 120 1 20 "Average Difference" HN 16 0.551 -0.275 0.493 17990 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 17990 _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 LEU HA H 2 4.286 4.286 4.030 0.256 17990 2 1 . 1 1 2 2 LEU CA C 2 57.140 57.140 56.895 0.245 17990 3 1 . 1 1 2 2 LEU H H 2 8.708 8.708 8.269 0.439 17990 4 1 . 1 1 3 3 GLY CA C 3 44.350 44.350 44.985 -0.634 17990 5 1 . 1 1 3 3 GLY H H 3 8.955 8.955 7.510 1.445 17990 6 1 . 1 1 4 4 PHE HA H 4 4.297 4.297 4.524 -0.227 17990 7 1 . 1 1 4 4 PHE CA C 4 60.130 60.130 59.909 0.221 17990 8 1 . 1 1 4 4 PHE H H 4 7.852 7.852 8.264 -0.412 17990 9 1 . 1 1 5 5 PHE HA H 5 4.142 4.142 3.512 0.630 17990 10 1 . 1 1 5 5 PHE CA C 5 60.950 60.950 58.609 2.341 17990 11 1 . 1 1 5 5 PHE H H 5 7.629 7.629 6.792 0.837 17990 12 1 . 1 1 6 6 LYS HA H 6 4.047 4.047 3.760 0.287 17990 13 1 . 1 1 6 6 LYS CA C 6 58.350 58.350 58.574 -0.224 17990 14 1 . 1 1 6 6 LYS H H 6 7.856 7.856 7.358 0.498 17990 15 1 . 1 1 7 7 ARG HA H 7 4.043 4.043 4.176 -0.133 17990 16 1 . 1 1 7 7 ARG CA C 7 58.570 58.570 58.446 0.124 17990 17 1 . 1 1 7 7 ARG H H 7 8.164 8.164 7.426 0.738 17990 18 1 . 1 1 8 8 GLN HA H 8 4.138 4.138 4.192 -0.054 17990 19 1 . 1 1 8 8 GLN CA C 8 57.090 57.090 58.587 -1.497 17990 20 1 . 1 1 8 8 GLN H H 8 7.941 7.941 7.569 0.372 17990 21 1 . 1 1 9 9 TYR HA H 9 4.148 4.148 4.448 -0.300 17990 22 1 . 1 1 9 9 TYR CA C 9 60.920 60.920 58.308 2.612 17990 23 1 . 1 1 9 9 TYR H H 9 8.148 8.148 8.277 -0.129 17990 24 1 . 1 1 10 10 LYS HA H 10 3.878 3.878 4.140 -0.262 17990 25 1 . 1 1 10 10 LYS CA C 10 63.720 63.720 58.637 5.083 17990 26 1 . 1 1 10 10 LYS H H 10 7.971 7.971 7.609 0.362 17990 27 1 . 1 1 11 11 ASP HA H 11 4.446 4.446 4.554 -0.108 17990 28 1 . 1 1 11 11 ASP CA C 11 55.090 55.090 56.556 -1.466 17990 29 1 . 1 1 11 11 ASP H H 11 8.133 8.133 7.841 0.292 17990 30 1 . 1 1 12 12 MET HA H 12 4.256 4.256 4.420 -0.164 17990 31 1 . 1 1 12 12 MET CA C 12 57.390 57.390 57.408 -0.018 17990 32 1 . 1 1 12 12 MET H H 12 7.980 7.980 7.412 0.568 17990 33 1 . 1 1 16 16 GLY CA C 16 44.490 44.490 46.495 -2.005 17990 34 1 . 1 1 16 16 GLY H H 16 8.375 8.375 8.312 0.063 17990 35 1 . 1 1 17 17 GLY CA C 17 44.300 44.300 45.039 -0.739 17990 36 1 . 1 1 17 17 GLY H H 17 8.046 8.046 8.396 -0.350 17990 37 1 . 1 1 19 19 PRO HA H 19 4.428 4.428 4.250 0.178 17990 38 1 . 1 1 19 19 PRO CA C 19 63.280 63.280 63.120 0.160 17990 39 1 . 1 1 20 20 GLY CA C 20 45.150 45.150 45.465 -0.315 17990 40 1 . 1 1 20 20 GLY H H 20 8.415 8.415 8.533 -0.118 17990 41 1 . 1 1 21 21 ALA HA H 21 4.320 4.320 4.221 0.099 17990 42 1 . 1 1 21 21 ALA CA C 21 52.020 52.020 52.667 -0.647 17990 43 1 . 1 1 21 21 ALA H H 21 8.002 8.002 7.955 0.047 17990 44 1 . 1 1 22 22 GLU HA H 22 4.562 4.562 4.774 -0.212 17990 45 1 . 1 1 22 22 GLU CA C 22 54.320 54.320 52.361 1.959 17990 46 1 . 1 1 22 22 GLU H H 22 8.318 8.318 8.318 0.000 17990 stop_ save_