data_19856 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19856 _Entry.PDB_ID 2MMJ 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 19856 _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 3.998 3.998 4.396 -0.398 19856 2 1 1 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.739 2.740 19856 3 1 1 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.355 0.092 19856 4 1 1 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.274 -0.109 19856 5 1 1 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.457 1.144 19856 6 1 1 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.162 -0.193 19856 7 1 1 . 1 1 3 3 PHE H H 3 8.946 8.946 8.475 0.471 19856 8 1 1 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.461 -0.557 19856 9 1 1 . 1 1 4 4 GLY H H 4 8.199 8.199 8.609 -0.410 19856 10 1 1 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.157 -0.372 19856 11 1 1 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.020 2.792 19856 12 1 1 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.214 -0.337 19856 13 1 1 . 1 1 5 5 VAL H H 5 7.715 7.715 7.614 0.101 19856 14 1 1 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.779 0.194 19856 15 1 1 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.895 -0.396 19856 16 1 1 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.784 0.700 19856 17 1 1 . 1 1 6 6 LEU H H 6 8.016 8.016 7.376 0.640 19856 18 1 1 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.023 -0.130 19856 19 1 1 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.675 0.201 19856 20 1 1 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.113 0.275 19856 21 1 1 . 1 1 7 7 ALA H H 7 8.133 8.133 7.762 0.371 19856 22 1 1 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.987 0.201 19856 23 1 1 . 1 1 8 8 LYS CA C 8 57.941 57.941 57.950 -0.009 19856 24 1 1 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.850 0.189 19856 25 1 1 . 1 1 8 8 LYS H H 8 7.355 7.355 8.043 -0.688 19856 26 1 1 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.533 -0.227 19856 27 1 1 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.430 0.420 19856 28 1 1 . 1 1 9 9 VAL CB C 9 32.635 32.635 32.132 0.503 19856 29 1 1 . 1 1 9 9 VAL H H 9 7.570 7.570 7.556 0.014 19856 30 1 1 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.352 0.376 19856 31 1 1 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.076 0.865 19856 32 1 1 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.488 0.565 19856 33 1 1 . 1 1 13 13 VAL H H 13 8.242 8.242 8.095 0.147 19856 34 1 1 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.809 -0.237 19856 35 1 1 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.990 0.837 19856 36 1 1 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.304 1.090 19856 37 1 1 . 1 1 14 14 VAL H H 14 8.234 8.234 8.296 -0.062 19856 38 1 1 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.422 0.644 19856 39 1 1 . 1 1 15 15 GLY H H 15 8.285 8.285 8.371 -0.086 19856 40 1 1 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.398 -0.107 19856 41 1 1 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.126 1.805 19856 42 1 1 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.457 -0.955 19856 43 1 1 . 1 1 16 16 ALA H H 16 7.830 7.830 7.671 0.159 19856 44 1 1 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.896 -0.151 19856 45 1 1 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.371 -0.015 19856 46 1 1 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.758 0.345 19856 47 1 1 . 1 1 17 17 ILE H H 17 8.045 8.045 8.495 -0.450 19856 48 1 1 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.157 -0.122 19856 49 1 1 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.237 1.178 19856 50 1 1 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.268 0.234 19856 51 1 1 . 1 1 18 18 ALA H H 18 8.467 8.467 7.980 0.487 19856 52 1 1 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.134 -0.150 19856 53 1 1 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.192 0.214 19856 54 1 1 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.057 -0.239 19856 55 1 1 . 1 1 19 19 GLU H H 19 8.007 8.007 8.091 -0.084 19856 56 1 1 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.562 -0.297 19856 57 1 1 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.578 1.812 19856 58 1 1 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.058 -0.499 19856 59 1 1 . 1 1 20 20 HIS H H 20 7.795 7.795 7.821 -0.026 19856 60 1 2 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.295 -0.297 19856 61 1 2 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.234 2.246 19856 62 1 2 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.088 0.359 19856 63 1 2 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.348 -0.183 19856 64 1 2 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.468 1.133 19856 65 1 2 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.205 -0.236 19856 66 1 2 . 1 1 3 3 PHE H H 3 8.946 8.946 8.440 0.506 19856 67 1 2 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.488 -0.585 19856 68 1 2 . 1 1 4 4 GLY H H 4 8.199 8.199 8.672 -0.473 19856 69 1 2 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.144 -0.359 19856 70 1 2 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.129 2.684 19856 71 1 2 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.275 -0.398 19856 72 1 2 . 1 1 5 5 VAL H H 5 7.715 7.715 7.408 0.307 19856 73 1 2 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.813 0.160 19856 74 1 2 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.761 -0.262 19856 75 1 2 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.759 0.725 19856 76 1 2 . 1 1 6 6 LEU H H 6 8.016 8.016 7.356 0.660 19856 77 1 2 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.061 -0.168 19856 78 1 2 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.678 0.198 19856 79 1 2 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.141 0.246 19856 80 1 2 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856 81 1 2 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.994 0.194 19856 82 1 2 . 1 1 8 8 LYS CA C 8 57.941 57.941 57.949 -0.008 19856 83 1 2 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.820 0.219 19856 84 1 2 . 1 1 8 8 LYS H H 8 7.355 7.355 7.973 -0.618 19856 85 1 2 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.577 -0.271 19856 86 1 2 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.373 0.477 19856 87 1 2 . 1 1 9 9 VAL CB C 9 32.635 32.635 32.152 0.483 19856 88 1 2 . 1 1 9 9 VAL H H 9 7.570 7.570 7.490 0.080 19856 89 1 2 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.310 0.418 19856 90 1 2 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.938 1.003 19856 91 1 2 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.986 0.067 19856 92 1 2 . 1 1 13 13 VAL H H 13 8.242 8.242 7.891 0.351 19856 93 1 2 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.764 -0.192 19856 94 1 2 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.007 0.820 19856 95 1 2 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.551 0.843 19856 96 1 2 . 1 1 14 14 VAL H H 14 8.234 8.234 8.309 -0.075 19856 97 1 2 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.703 0.363 19856 98 1 2 . 1 1 15 15 GLY H H 15 8.285 8.285 7.803 0.482 19856 99 1 2 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.273 0.018 19856 100 1 2 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.417 1.514 19856 101 1 2 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.658 -1.156 19856 102 1 2 . 1 1 16 16 ALA H H 16 7.830 7.830 7.677 0.153 19856 103 1 2 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.019 -0.274 19856 104 1 2 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.140 2.216 19856 105 1 2 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.395 1.708 19856 106 1 2 . 1 1 17 17 ILE H H 17 8.045 8.045 8.652 -0.607 19856 107 1 2 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.148 -0.113 19856 108 1 2 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.763 1.652 19856 109 1 2 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.430 0.072 19856 110 1 2 . 1 1 18 18 ALA H H 18 8.467 8.467 8.179 0.288 19856 111 1 2 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.176 -0.193 19856 112 1 2 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.957 0.449 19856 113 1 2 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.001 -0.183 19856 114 1 2 . 1 1 19 19 GLU H H 19 8.007 8.007 8.160 -0.153 19856 115 1 2 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.596 -0.331 19856 116 1 2 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.841 1.549 19856 117 1 2 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.297 -0.737 19856 118 1 2 . 1 1 20 20 HIS H H 20 7.795 7.795 7.855 -0.060 19856 119 1 3 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.192 -0.194 19856 120 1 3 . 1 1 2 2 LEU CA C 2 58.480 58.480 57.018 1.462 19856 121 1 3 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.306 0.141 19856 122 1 3 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.336 -0.171 19856 123 1 3 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.592 1.009 19856 124 1 3 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.128 -0.159 19856 125 1 3 . 1 1 3 3 PHE H H 3 8.946 8.946 8.446 0.500 19856 126 1 3 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.302 -0.399 19856 127 1 3 . 1 1 4 4 GLY H H 4 8.199 8.199 8.517 -0.318 19856 128 1 3 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.115 -0.330 19856 129 1 3 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.222 2.591 19856 130 1 3 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.062 -0.185 19856 131 1 3 . 1 1 5 5 VAL H H 5 7.715 7.715 7.485 0.230 19856 132 1 3 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.819 0.154 19856 133 1 3 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.840 -0.341 19856 134 1 3 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.749 0.735 19856 135 1 3 . 1 1 6 6 LEU H H 6 8.016 8.016 7.402 0.614 19856 136 1 3 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.024 -0.131 19856 137 1 3 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.607 0.269 19856 138 1 3 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.099 0.288 19856 139 1 3 . 1 1 7 7 ALA H H 7 8.133 8.133 7.755 0.378 19856 140 1 3 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.000 0.188 19856 141 1 3 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.174 -0.233 19856 142 1 3 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.937 0.102 19856 143 1 3 . 1 1 8 8 LYS H H 8 7.355 7.355 7.912 -0.557 19856 144 1 3 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.585 -0.279 19856 145 1 3 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.963 0.887 19856 146 1 3 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.221 1.414 19856 147 1 3 . 1 1 9 9 VAL H H 9 7.570 7.570 7.518 0.052 19856 148 1 3 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.323 0.405 19856 149 1 3 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.163 0.778 19856 150 1 3 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.697 0.356 19856 151 1 3 . 1 1 13 13 VAL H H 13 8.242 8.242 8.053 0.189 19856 152 1 3 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.777 -0.205 19856 153 1 3 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.250 0.577 19856 154 1 3 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.348 1.046 19856 155 1 3 . 1 1 14 14 VAL H H 14 8.234 8.234 8.296 -0.062 19856 156 1 3 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.647 0.419 19856 157 1 3 . 1 1 15 15 GLY H H 15 8.285 8.285 8.513 -0.228 19856 158 1 3 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.197 0.094 19856 159 1 3 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.557 1.374 19856 160 1 3 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.565 -1.063 19856 161 1 3 . 1 1 16 16 ALA H H 16 7.830 7.830 7.524 0.306 19856 162 1 3 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.898 -0.153 19856 163 1 3 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.368 -0.012 19856 164 1 3 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.791 0.312 19856 165 1 3 . 1 1 17 17 ILE H H 17 8.045 8.045 8.562 -0.517 19856 166 1 3 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.175 -0.140 19856 167 1 3 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.258 1.157 19856 168 1 3 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.326 0.176 19856 169 1 3 . 1 1 18 18 ALA H H 18 8.467 8.467 8.257 0.210 19856 170 1 3 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.173 -0.189 19856 171 1 3 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.873 0.533 19856 172 1 3 . 1 1 19 19 GLU CB C 19 29.818 29.818 29.886 -0.067 19856 173 1 3 . 1 1 19 19 GLU H H 19 8.007 8.007 8.135 -0.128 19856 174 1 3 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.587 -0.322 19856 175 1 3 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.609 1.781 19856 176 1 3 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.096 -0.536 19856 177 1 3 . 1 1 20 20 HIS H H 20 7.795 7.795 7.828 -0.033 19856 178 1 4 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.135 -0.137 19856 179 1 4 . 1 1 2 2 LEU CA C 2 58.480 58.480 57.057 1.423 19856 180 1 4 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.311 0.136 19856 181 1 4 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.383 -0.218 19856 182 1 4 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.302 1.299 19856 183 1 4 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.160 -0.191 19856 184 1 4 . 1 1 3 3 PHE H H 3 8.946 8.946 8.416 0.530 19856 185 1 4 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.237 -0.334 19856 186 1 4 . 1 1 4 4 GLY H H 4 8.199 8.199 8.662 -0.463 19856 187 1 4 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.037 -0.252 19856 188 1 4 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.602 2.211 19856 189 1 4 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.381 -0.504 19856 190 1 4 . 1 1 5 5 VAL H H 5 7.715 7.715 7.334 0.381 19856 191 1 4 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.803 0.170 19856 192 1 4 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.620 -0.121 19856 193 1 4 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.864 0.620 19856 194 1 4 . 1 1 6 6 LEU H H 6 8.016 8.016 7.365 0.651 19856 195 1 4 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.036 -0.143 19856 196 1 4 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.600 0.276 19856 197 1 4 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.136 0.251 19856 198 1 4 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856 199 1 4 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.980 0.208 19856 200 1 4 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.198 -0.257 19856 201 1 4 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.875 0.164 19856 202 1 4 . 1 1 8 8 LYS H H 8 7.355 7.355 7.908 -0.553 19856 203 1 4 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.558 -0.252 19856 204 1 4 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.876 0.974 19856 205 1 4 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.985 0.650 19856 206 1 4 . 1 1 9 9 VAL H H 9 7.570 7.570 7.444 0.126 19856 207 1 4 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.335 0.393 19856 208 1 4 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.070 1.871 19856 209 1 4 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.045 1.008 19856 210 1 4 . 1 1 13 13 VAL H H 13 8.242 8.242 8.070 0.172 19856 211 1 4 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.796 -0.224 19856 212 1 4 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.991 0.836 19856 213 1 4 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.418 0.976 19856 214 1 4 . 1 1 14 14 VAL H H 14 8.234 8.234 8.152 0.082 19856 215 1 4 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.783 0.283 19856 216 1 4 . 1 1 15 15 GLY H H 15 8.285 8.285 8.521 -0.236 19856 217 1 4 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.240 0.051 19856 218 1 4 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.333 1.598 19856 219 1 4 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.621 -1.119 19856 220 1 4 . 1 1 16 16 ALA H H 16 7.830 7.830 7.538 0.292 19856 221 1 4 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.901 -0.156 19856 222 1 4 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.370 -0.014 19856 223 1 4 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.789 0.313 19856 224 1 4 . 1 1 17 17 ILE H H 17 8.045 8.045 8.570 -0.525 19856 225 1 4 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.174 -0.139 19856 226 1 4 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.162 1.253 19856 227 1 4 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.256 0.246 19856 228 1 4 . 1 1 18 18 ALA H H 18 8.467 8.467 8.238 0.229 19856 229 1 4 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.127 -0.143 19856 230 1 4 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.130 0.276 19856 231 1 4 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.077 -0.259 19856 232 1 4 . 1 1 19 19 GLU H H 19 8.007 8.007 8.119 -0.112 19856 233 1 4 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.565 -0.300 19856 234 1 4 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.658 1.732 19856 235 1 4 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.163 -0.603 19856 236 1 4 . 1 1 20 20 HIS H H 20 7.795 7.795 7.822 -0.027 19856 237 1 5 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.482 -0.484 19856 238 1 5 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.102 2.378 19856 239 1 5 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.343 0.104 19856 240 1 5 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.288 -0.123 19856 241 1 5 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.524 1.077 19856 242 1 5 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.242 -0.273 19856 243 1 5 . 1 1 3 3 PHE H H 3 8.946 8.946 8.471 0.475 19856 244 1 5 . 1 1 4 4 GLY CA C 4 46.903 46.903 46.811 0.092 19856 245 1 5 . 1 1 4 4 GLY H H 4 8.199 8.199 8.428 -0.229 19856 246 1 5 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.050 -0.265 19856 247 1 5 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.182 2.631 19856 248 1 5 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.351 -0.474 19856 249 1 5 . 1 1 5 5 VAL H H 5 7.715 7.715 7.446 0.269 19856 250 1 5 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.814 0.159 19856 251 1 5 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.664 -0.165 19856 252 1 5 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.956 0.528 19856 253 1 5 . 1 1 6 6 LEU H H 6 8.016 8.016 7.367 0.649 19856 254 1 5 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.021 -0.128 19856 255 1 5 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.585 0.291 19856 256 1 5 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.114 0.273 19856 257 1 5 . 1 1 7 7 ALA H H 7 8.133 8.133 7.767 0.366 19856 258 1 5 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.976 0.212 19856 259 1 5 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.192 -0.251 19856 260 1 5 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.865 0.174 19856 261 1 5 . 1 1 8 8 LYS H H 8 7.355 7.355 7.905 -0.550 19856 262 1 5 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.557 -0.251 19856 263 1 5 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.885 0.965 19856 264 1 5 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.989 0.646 19856 265 1 5 . 1 1 9 9 VAL H H 9 7.570 7.570 7.443 0.127 19856 266 1 5 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.256 0.472 19856 267 1 5 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.245 0.697 19856 268 1 5 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.951 0.103 19856 269 1 5 . 1 1 13 13 VAL H H 13 8.242 8.242 7.975 0.267 19856 270 1 5 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.721 -0.149 19856 271 1 5 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.167 0.660 19856 272 1 5 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.899 0.494 19856 273 1 5 . 1 1 14 14 VAL H H 14 8.234 8.234 8.086 0.148 19856 274 1 5 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.731 0.335 19856 275 1 5 . 1 1 15 15 GLY H H 15 8.285 8.285 8.474 -0.189 19856 276 1 5 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.196 0.095 19856 277 1 5 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.568 1.363 19856 278 1 5 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.560 -1.058 19856 279 1 5 . 1 1 16 16 ALA H H 16 7.830 7.830 7.525 0.305 19856 280 1 5 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.901 -0.156 19856 281 1 5 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.377 -0.021 19856 282 1 5 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.794 0.309 19856 283 1 5 . 1 1 17 17 ILE H H 17 8.045 8.045 8.572 -0.527 19856 284 1 5 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.169 -0.134 19856 285 1 5 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.230 1.185 19856 286 1 5 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.282 0.220 19856 287 1 5 . 1 1 18 18 ALA H H 18 8.467 8.467 8.233 0.234 19856 288 1 5 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.139 -0.155 19856 289 1 5 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.170 0.236 19856 290 1 5 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.071 -0.253 19856 291 1 5 . 1 1 19 19 GLU H H 19 8.007 8.007 8.099 -0.092 19856 292 1 5 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.573 -0.308 19856 293 1 5 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.650 1.740 19856 294 1 5 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.161 -0.601 19856 295 1 5 . 1 1 20 20 HIS H H 20 7.795 7.795 7.839 -0.044 19856 296 1 6 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.283 -0.285 19856 297 1 6 . 1 1 2 2 LEU CA C 2 58.480 58.480 57.099 1.381 19856 298 1 6 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.052 0.395 19856 299 1 6 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.402 -0.237 19856 300 1 6 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.246 1.355 19856 301 1 6 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.042 -0.073 19856 302 1 6 . 1 1 3 3 PHE H H 3 8.946 8.946 8.319 0.627 19856 303 1 6 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.315 -0.412 19856 304 1 6 . 1 1 4 4 GLY H H 4 8.199 8.199 8.564 -0.365 19856 305 1 6 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.101 -0.316 19856 306 1 6 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.346 2.467 19856 307 1 6 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.141 -0.263 19856 308 1 6 . 1 1 5 5 VAL H H 5 7.715 7.715 7.444 0.271 19856 309 1 6 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.812 0.161 19856 310 1 6 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.893 -0.394 19856 311 1 6 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.781 0.703 19856 312 1 6 . 1 1 6 6 LEU H H 6 8.016 8.016 7.454 0.562 19856 313 1 6 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.022 -0.129 19856 314 1 6 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.697 0.179 19856 315 1 6 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.051 0.336 19856 316 1 6 . 1 1 7 7 ALA H H 7 8.133 8.133 7.798 0.335 19856 317 1 6 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.001 0.187 19856 318 1 6 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.285 -0.344 19856 319 1 6 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.932 0.107 19856 320 1 6 . 1 1 8 8 LYS H H 8 7.355 7.355 8.015 -0.660 19856 321 1 6 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.569 -0.263 19856 322 1 6 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.941 0.909 19856 323 1 6 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.125 1.510 19856 324 1 6 . 1 1 9 9 VAL H H 9 7.570 7.570 7.593 -0.023 19856 325 1 6 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.319 0.409 19856 326 1 6 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.895 1.046 19856 327 1 6 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.471 0.582 19856 328 1 6 . 1 1 13 13 VAL H H 13 8.242 8.242 8.025 0.217 19856 329 1 6 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.823 -0.251 19856 330 1 6 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.652 1.175 19856 331 1 6 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.704 0.690 19856 332 1 6 . 1 1 14 14 VAL H H 14 8.234 8.234 8.169 0.065 19856 333 1 6 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.543 0.523 19856 334 1 6 . 1 1 15 15 GLY H H 15 8.285 8.285 8.309 -0.024 19856 335 1 6 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.467 -0.176 19856 336 1 6 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.352 1.579 19856 337 1 6 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.537 -1.035 19856 338 1 6 . 1 1 16 16 ALA H H 16 7.830 7.830 7.744 0.086 19856 339 1 6 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.044 -0.299 19856 340 1 6 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.502 1.854 19856 341 1 6 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.509 1.594 19856 342 1 6 . 1 1 17 17 ILE H H 17 8.045 8.045 8.664 -0.619 19856 343 1 6 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.123 -0.088 19856 344 1 6 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.805 1.610 19856 345 1 6 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.445 0.057 19856 346 1 6 . 1 1 18 18 ALA H H 18 8.467 8.467 7.739 0.728 19856 347 1 6 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.155 -0.171 19856 348 1 6 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.032 0.374 19856 349 1 6 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.117 -0.299 19856 350 1 6 . 1 1 19 19 GLU H H 19 8.007 8.007 8.122 -0.115 19856 351 1 6 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.511 -0.246 19856 352 1 6 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.795 1.595 19856 353 1 6 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.189 -0.629 19856 354 1 6 . 1 1 20 20 HIS H H 20 7.795 7.795 7.852 -0.057 19856 355 1 7 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.556 -0.558 19856 356 1 7 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.485 2.995 19856 357 1 7 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.487 -0.040 19856 358 1 7 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.330 -0.165 19856 359 1 7 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.440 1.161 19856 360 1 7 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.242 -0.273 19856 361 1 7 . 1 1 3 3 PHE H H 3 8.946 8.946 8.489 0.457 19856 362 1 7 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.216 -0.313 19856 363 1 7 . 1 1 4 4 GLY H H 4 8.199 8.199 8.618 -0.419 19856 364 1 7 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.084 -0.299 19856 365 1 7 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.528 2.285 19856 366 1 7 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.170 -0.293 19856 367 1 7 . 1 1 5 5 VAL H H 5 7.715 7.715 7.466 0.249 19856 368 1 7 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.814 0.159 19856 369 1 7 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.902 -0.403 19856 370 1 7 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.838 0.646 19856 371 1 7 . 1 1 6 6 LEU H H 6 8.016 8.016 7.463 0.553 19856 372 1 7 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.015 -0.122 19856 373 1 7 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.696 0.180 19856 374 1 7 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.043 0.344 19856 375 1 7 . 1 1 7 7 ALA H H 7 8.133 8.133 7.789 0.344 19856 376 1 7 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.983 0.205 19856 377 1 7 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.286 -0.345 19856 378 1 7 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.936 0.103 19856 379 1 7 . 1 1 8 8 LYS H H 8 7.355 7.355 8.029 -0.674 19856 380 1 7 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.544 -0.238 19856 381 1 7 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.738 1.112 19856 382 1 7 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.873 0.762 19856 383 1 7 . 1 1 9 9 VAL H H 9 7.570 7.570 7.533 0.037 19856 384 1 7 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.308 0.420 19856 385 1 7 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.121 0.820 19856 386 1 7 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.436 0.618 19856 387 1 7 . 1 1 13 13 VAL H H 13 8.242 8.242 8.127 0.115 19856 388 1 7 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.777 -0.205 19856 389 1 7 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.685 1.142 19856 390 1 7 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.017 0.377 19856 391 1 7 . 1 1 14 14 VAL H H 14 8.234 8.234 8.219 0.015 19856 392 1 7 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.516 0.551 19856 393 1 7 . 1 1 15 15 GLY H H 15 8.285 8.285 8.251 0.034 19856 394 1 7 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.468 -0.177 19856 395 1 7 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.350 1.581 19856 396 1 7 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.537 -1.035 19856 397 1 7 . 1 1 16 16 ALA H H 16 7.830 7.830 7.747 0.083 19856 398 1 7 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.042 -0.297 19856 399 1 7 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.511 1.845 19856 400 1 7 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.511 1.592 19856 401 1 7 . 1 1 17 17 ILE H H 17 8.045 8.045 8.665 -0.620 19856 402 1 7 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.120 -0.085 19856 403 1 7 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.828 1.587 19856 404 1 7 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.455 0.047 19856 405 1 7 . 1 1 18 18 ALA H H 18 8.467 8.467 7.737 0.730 19856 406 1 7 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.159 -0.175 19856 407 1 7 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.011 0.395 19856 408 1 7 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.107 -0.289 19856 409 1 7 . 1 1 19 19 GLU H H 19 8.007 8.007 8.115 -0.108 19856 410 1 7 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.512 -0.247 19856 411 1 7 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.786 1.603 19856 412 1 7 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.183 -0.623 19856 413 1 7 . 1 1 20 20 HIS H H 20 7.795 7.795 7.853 -0.058 19856 414 1 8 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.581 -0.583 19856 415 1 8 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.786 2.694 19856 416 1 8 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.398 0.049 19856 417 1 8 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.309 -0.144 19856 418 1 8 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.505 1.096 19856 419 1 8 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.263 -0.294 19856 420 1 8 . 1 1 3 3 PHE H H 3 8.946 8.946 8.464 0.482 19856 421 1 8 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.230 -0.327 19856 422 1 8 . 1 1 4 4 GLY H H 4 8.199 8.199 8.693 -0.494 19856 423 1 8 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.052 -0.267 19856 424 1 8 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.623 2.190 19856 425 1 8 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.371 -0.494 19856 426 1 8 . 1 1 5 5 VAL H H 5 7.715 7.715 7.449 0.266 19856 427 1 8 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.809 0.164 19856 428 1 8 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.725 -0.226 19856 429 1 8 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.922 0.562 19856 430 1 8 . 1 1 6 6 LEU H H 6 8.016 8.016 7.395 0.621 19856 431 1 8 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.018 -0.125 19856 432 1 8 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.748 0.128 19856 433 1 8 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.016 0.371 19856 434 1 8 . 1 1 7 7 ALA H H 7 8.133 8.133 7.807 0.326 19856 435 1 8 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.993 0.195 19856 436 1 8 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.173 -0.232 19856 437 1 8 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.864 0.175 19856 438 1 8 . 1 1 8 8 LYS H H 8 7.355 7.355 7.989 -0.634 19856 439 1 8 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.526 -0.220 19856 440 1 8 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.386 0.464 19856 441 1 8 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.991 0.644 19856 442 1 8 . 1 1 9 9 VAL H H 9 7.570 7.570 7.531 0.039 19856 443 1 8 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.312 0.416 19856 444 1 8 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.013 0.928 19856 445 1 8 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.509 0.544 19856 446 1 8 . 1 1 13 13 VAL H H 13 8.242 8.242 7.990 0.252 19856 447 1 8 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.832 -0.260 19856 448 1 8 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.502 1.325 19856 449 1 8 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.601 0.793 19856 450 1 8 . 1 1 14 14 VAL H H 14 8.234 8.234 8.160 0.074 19856 451 1 8 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.363 0.703 19856 452 1 8 . 1 1 15 15 GLY H H 15 8.285 8.285 8.323 -0.038 19856 453 1 8 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.410 -0.119 19856 454 1 8 . 1 1 16 16 ALA CA C 16 54.931 54.931 52.943 1.988 19856 455 1 8 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.770 -1.268 19856 456 1 8 . 1 1 16 16 ALA H H 16 7.830 7.830 7.714 0.116 19856 457 1 8 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.946 -0.201 19856 458 1 8 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.451 -0.095 19856 459 1 8 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.785 0.319 19856 460 1 8 . 1 1 17 17 ILE H H 17 8.045 8.045 8.620 -0.575 19856 461 1 8 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.090 -0.055 19856 462 1 8 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.946 1.469 19856 463 1 8 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.343 0.160 19856 464 1 8 . 1 1 18 18 ALA H H 18 8.467 8.467 7.773 0.694 19856 465 1 8 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.118 -0.134 19856 466 1 8 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.241 0.165 19856 467 1 8 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.014 -0.196 19856 468 1 8 . 1 1 19 19 GLU H H 19 8.007 8.007 8.170 -0.163 19856 469 1 8 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.515 -0.250 19856 470 1 8 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.660 1.730 19856 471 1 8 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.139 -0.579 19856 472 1 8 . 1 1 20 20 HIS H H 20 7.795 7.795 7.848 -0.053 19856 473 1 9 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.410 -0.412 19856 474 1 9 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.830 2.650 19856 475 1 9 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.423 0.023 19856 476 1 9 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.303 -0.138 19856 477 1 9 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.457 1.144 19856 478 1 9 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.225 -0.256 19856 479 1 9 . 1 1 3 3 PHE H H 3 8.946 8.946 8.489 0.457 19856 480 1 9 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.468 -0.565 19856 481 1 9 . 1 1 4 4 GLY H H 4 8.199 8.199 8.647 -0.448 19856 482 1 9 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.138 -0.353 19856 483 1 9 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.300 2.513 19856 484 1 9 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.289 -0.412 19856 485 1 9 . 1 1 5 5 VAL H H 5 7.715 7.715 7.487 0.228 19856 486 1 9 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.784 0.189 19856 487 1 9 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.806 -0.307 19856 488 1 9 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.762 0.722 19856 489 1 9 . 1 1 6 6 LEU H H 6 8.016 8.016 7.367 0.649 19856 490 1 9 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.013 -0.120 19856 491 1 9 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.814 0.062 19856 492 1 9 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.033 0.354 19856 493 1 9 . 1 1 7 7 ALA H H 7 8.133 8.133 7.785 0.348 19856 494 1 9 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.010 0.178 19856 495 1 9 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.057 -0.116 19856 496 1 9 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.833 0.206 19856 497 1 9 . 1 1 8 8 LYS H H 8 7.355 7.355 8.018 -0.663 19856 498 1 9 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.555 -0.249 19856 499 1 9 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.856 0.994 19856 500 1 9 . 1 1 9 9 VAL CB C 9 32.635 32.635 30.994 1.641 19856 501 1 9 . 1 1 9 9 VAL H H 9 7.570 7.570 7.570 0.000 19856 502 1 9 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.306 0.422 19856 503 1 9 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.743 1.198 19856 504 1 9 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.382 0.671 19856 505 1 9 . 1 1 13 13 VAL H H 13 8.242 8.242 7.994 0.248 19856 506 1 9 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.828 -0.256 19856 507 1 9 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.480 1.347 19856 508 1 9 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.597 0.797 19856 509 1 9 . 1 1 14 14 VAL H H 14 8.234 8.234 8.159 0.075 19856 510 1 9 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.346 0.720 19856 511 1 9 . 1 1 15 15 GLY H H 15 8.285 8.285 8.314 -0.029 19856 512 1 9 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.420 -0.129 19856 513 1 9 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.142 1.789 19856 514 1 9 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.477 -0.975 19856 515 1 9 . 1 1 16 16 ALA H H 16 7.830 7.830 7.718 0.112 19856 516 1 9 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.891 -0.146 19856 517 1 9 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.398 -0.042 19856 518 1 9 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.721 0.382 19856 519 1 9 . 1 1 17 17 ILE H H 17 8.045 8.045 8.539 -0.494 19856 520 1 9 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.148 -0.113 19856 521 1 9 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.281 1.134 19856 522 1 9 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.270 0.232 19856 523 1 9 . 1 1 18 18 ALA H H 18 8.467 8.467 7.726 0.741 19856 524 1 9 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.138 -0.154 19856 525 1 9 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.163 0.242 19856 526 1 9 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.046 -0.228 19856 527 1 9 . 1 1 19 19 GLU H H 19 8.007 8.007 8.086 -0.079 19856 528 1 9 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.558 -0.293 19856 529 1 9 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.608 1.782 19856 530 1 9 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.047 -0.487 19856 531 1 9 . 1 1 20 20 HIS H H 20 7.795 7.795 7.835 -0.040 19856 532 1 10 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.435 -0.437 19856 533 1 10 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.956 2.525 19856 534 1 10 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.229 0.218 19856 535 1 10 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.304 -0.139 19856 536 1 10 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.516 1.085 19856 537 1 10 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.204 -0.235 19856 538 1 10 . 1 1 3 3 PHE H H 3 8.946 8.946 8.485 0.461 19856 539 1 10 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.293 -0.390 19856 540 1 10 . 1 1 4 4 GLY H H 4 8.199 8.199 8.573 -0.374 19856 541 1 10 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.158 -0.373 19856 542 1 10 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.154 2.659 19856 543 1 10 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.036 -0.159 19856 544 1 10 . 1 1 5 5 VAL H H 5 7.715 7.715 7.600 0.115 19856 545 1 10 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.816 0.157 19856 546 1 10 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.946 -0.447 19856 547 1 10 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.750 0.734 19856 548 1 10 . 1 1 6 6 LEU H H 6 8.016 8.016 7.454 0.562 19856 549 1 10 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.014 -0.121 19856 550 1 10 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.580 0.296 19856 551 1 10 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.245 0.141 19856 552 1 10 . 1 1 7 7 ALA H H 7 8.133 8.133 7.756 0.377 19856 553 1 10 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.343 -0.155 19856 554 1 10 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.141 -0.199 19856 555 1 10 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.061 -0.022 19856 556 1 10 . 1 1 8 8 LYS H H 8 7.355 7.355 8.100 -0.745 19856 557 1 10 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.373 -0.067 19856 558 1 10 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.650 1.200 19856 559 1 10 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.866 0.769 19856 560 1 10 . 1 1 9 9 VAL H H 9 7.570 7.570 7.599 -0.029 19856 561 1 10 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.785 -0.057 19856 562 1 10 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.613 0.328 19856 563 1 10 . 1 1 13 13 VAL CB C 13 32.053 32.053 32.019 0.034 19856 564 1 10 . 1 1 13 13 VAL H H 13 8.242 8.242 8.125 0.117 19856 565 1 10 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.785 -0.213 19856 566 1 10 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.335 0.492 19856 567 1 10 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.962 0.432 19856 568 1 10 . 1 1 14 14 VAL H H 14 8.234 8.234 8.143 0.091 19856 569 1 10 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.774 0.292 19856 570 1 10 . 1 1 15 15 GLY H H 15 8.285 8.285 8.518 -0.233 19856 571 1 10 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.386 -0.095 19856 572 1 10 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.083 1.848 19856 573 1 10 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.842 -1.340 19856 574 1 10 . 1 1 16 16 ALA H H 16 7.830 7.830 7.755 0.075 19856 575 1 10 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.983 -0.238 19856 576 1 10 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.479 -0.123 19856 577 1 10 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.895 0.208 19856 578 1 10 . 1 1 17 17 ILE H H 17 8.045 8.045 8.639 -0.594 19856 579 1 10 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.143 -0.108 19856 580 1 10 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.809 1.606 19856 581 1 10 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.404 0.098 19856 582 1 10 . 1 1 18 18 ALA H H 18 8.467 8.467 8.255 0.212 19856 583 1 10 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.144 -0.160 19856 584 1 10 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.025 0.381 19856 585 1 10 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.089 -0.271 19856 586 1 10 . 1 1 19 19 GLU H H 19 8.007 8.007 8.191 -0.184 19856 587 1 10 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.527 -0.262 19856 588 1 10 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.789 1.601 19856 589 1 10 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.269 -0.709 19856 590 1 10 . 1 1 20 20 HIS H H 20 7.795 7.795 7.852 -0.057 19856 591 1 11 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.170 -0.172 19856 592 1 11 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.828 1.653 19856 593 1 11 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.391 0.056 19856 594 1 11 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.276 -0.111 19856 595 1 11 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.617 0.984 19856 596 1 11 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.069 -0.099 19856 597 1 11 . 1 1 3 3 PHE H H 3 8.946 8.946 8.450 0.496 19856 598 1 11 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.154 -0.251 19856 599 1 11 . 1 1 4 4 GLY H H 4 8.199 8.199 8.532 -0.333 19856 600 1 11 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.061 -0.276 19856 601 1 11 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.381 2.432 19856 602 1 11 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.302 -0.425 19856 603 1 11 . 1 1 5 5 VAL H H 5 7.715 7.715 7.685 0.030 19856 604 1 11 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.820 0.153 19856 605 1 11 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.766 -0.267 19856 606 1 11 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.898 0.586 19856 607 1 11 . 1 1 6 6 LEU H H 6 8.016 8.016 7.428 0.588 19856 608 1 11 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.029 -0.136 19856 609 1 11 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.519 0.357 19856 610 1 11 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.262 0.125 19856 611 1 11 . 1 1 7 7 ALA H H 7 8.133 8.133 7.789 0.344 19856 612 1 11 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.330 -0.142 19856 613 1 11 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.297 -0.356 19856 614 1 11 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.061 -0.022 19856 615 1 11 . 1 1 8 8 LYS H H 8 7.355 7.355 8.056 -0.701 19856 616 1 11 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.380 -0.074 19856 617 1 11 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.123 0.727 19856 618 1 11 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.743 0.892 19856 619 1 11 . 1 1 9 9 VAL H H 9 7.570 7.570 7.627 -0.057 19856 620 1 11 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.835 -0.107 19856 621 1 11 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.128 1.813 19856 622 1 11 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.512 0.541 19856 623 1 11 . 1 1 13 13 VAL H H 13 8.242 8.242 8.124 0.118 19856 624 1 11 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.813 -0.241 19856 625 1 11 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.485 0.342 19856 626 1 11 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.698 0.696 19856 627 1 11 . 1 1 14 14 VAL H H 14 8.234 8.234 8.359 -0.125 19856 628 1 11 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.693 0.373 19856 629 1 11 . 1 1 15 15 GLY H H 15 8.285 8.285 8.448 -0.163 19856 630 1 11 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.311 -0.020 19856 631 1 11 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.421 1.510 19856 632 1 11 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.765 -1.263 19856 633 1 11 . 1 1 16 16 ALA H H 16 7.830 7.830 7.771 0.059 19856 634 1 11 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.060 -0.315 19856 635 1 11 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.090 2.266 19856 636 1 11 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.400 1.703 19856 637 1 11 . 1 1 17 17 ILE H H 17 8.045 8.045 8.673 -0.628 19856 638 1 11 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.172 -0.137 19856 639 1 11 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.721 1.694 19856 640 1 11 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.424 0.078 19856 641 1 11 . 1 1 18 18 ALA H H 18 8.467 8.467 8.198 0.269 19856 642 1 11 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.150 -0.166 19856 643 1 11 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.964 0.442 19856 644 1 11 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.125 -0.306 19856 645 1 11 . 1 1 19 19 GLU H H 19 8.007 8.007 8.179 -0.172 19856 646 1 11 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.584 -0.319 19856 647 1 11 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.851 1.539 19856 648 1 11 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.336 -0.776 19856 649 1 11 . 1 1 20 20 HIS H H 20 7.795 7.795 7.865 -0.070 19856 650 1 12 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.300 -0.302 19856 651 1 12 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.543 1.937 19856 652 1 12 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.070 0.377 19856 653 1 12 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.280 -0.115 19856 654 1 12 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.611 0.990 19856 655 1 12 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.188 -0.219 19856 656 1 12 . 1 1 3 3 PHE H H 3 8.946 8.946 8.443 0.503 19856 657 1 12 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.214 -0.311 19856 658 1 12 . 1 1 4 4 GLY H H 4 8.199 8.199 8.573 -0.374 19856 659 1 12 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.072 -0.287 19856 660 1 12 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.521 2.292 19856 661 1 12 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.348 -0.471 19856 662 1 12 . 1 1 5 5 VAL H H 5 7.715 7.715 7.541 0.174 19856 663 1 12 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.812 0.161 19856 664 1 12 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.752 -0.253 19856 665 1 12 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.924 0.560 19856 666 1 12 . 1 1 6 6 LEU H H 6 8.016 8.016 7.414 0.602 19856 667 1 12 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.020 -0.127 19856 668 1 12 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.579 0.297 19856 669 1 12 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.252 0.135 19856 670 1 12 . 1 1 7 7 ALA H H 7 8.133 8.133 7.763 0.370 19856 671 1 12 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.342 -0.154 19856 672 1 12 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.153 -0.212 19856 673 1 12 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.071 -0.032 19856 674 1 12 . 1 1 8 8 LYS H H 8 7.355 7.355 8.098 -0.743 19856 675 1 12 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.371 -0.065 19856 676 1 12 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.657 1.193 19856 677 1 12 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.867 0.768 19856 678 1 12 . 1 1 9 9 VAL H H 9 7.570 7.570 7.597 -0.027 19856 679 1 12 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.859 -0.131 19856 680 1 12 . 1 1 13 13 VAL CA C 13 65.941 65.941 63.846 2.095 19856 681 1 12 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.310 0.743 19856 682 1 12 . 1 1 13 13 VAL H H 13 8.242 8.242 8.150 0.092 19856 683 1 12 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.843 -0.271 19856 684 1 12 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.469 0.358 19856 685 1 12 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.382 1.012 19856 686 1 12 . 1 1 14 14 VAL H H 14 8.234 8.234 8.361 -0.127 19856 687 1 12 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.693 0.373 19856 688 1 12 . 1 1 15 15 GLY H H 15 8.285 8.285 8.574 -0.289 19856 689 1 12 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.462 -0.171 19856 690 1 12 . 1 1 16 16 ALA CA C 16 54.931 54.931 52.986 1.945 19856 691 1 12 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.823 -1.321 19856 692 1 12 . 1 1 16 16 ALA H H 16 7.830 7.830 7.749 0.081 19856 693 1 12 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.945 -0.200 19856 694 1 12 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.468 -0.112 19856 695 1 12 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.876 0.227 19856 696 1 12 . 1 1 17 17 ILE H H 17 8.045 8.045 8.637 -0.592 19856 697 1 12 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.166 -0.131 19856 698 1 12 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.818 1.597 19856 699 1 12 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.423 0.079 19856 700 1 12 . 1 1 18 18 ALA H H 18 8.467 8.467 8.257 0.210 19856 701 1 12 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.143 -0.159 19856 702 1 12 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.045 0.361 19856 703 1 12 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.087 -0.269 19856 704 1 12 . 1 1 19 19 GLU H H 19 8.007 8.007 8.190 -0.183 19856 705 1 12 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.589 -0.324 19856 706 1 12 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.839 1.551 19856 707 1 12 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.348 -0.788 19856 708 1 12 . 1 1 20 20 HIS H H 20 7.795 7.795 7.864 -0.069 19856 709 1 13 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.250 -0.252 19856 710 1 13 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.703 1.777 19856 711 1 13 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.403 0.044 19856 712 1 13 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.295 -0.130 19856 713 1 13 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.343 1.258 19856 714 1 13 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.151 -0.182 19856 715 1 13 . 1 1 3 3 PHE H H 3 8.946 8.946 8.435 0.511 19856 716 1 13 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.232 -0.329 19856 717 1 13 . 1 1 4 4 GLY H H 4 8.199 8.199 8.490 -0.291 19856 718 1 13 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.109 -0.324 19856 719 1 13 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.616 2.197 19856 720 1 13 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.147 -0.270 19856 721 1 13 . 1 1 5 5 VAL H H 5 7.715 7.715 7.648 0.067 19856 722 1 13 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.798 0.175 19856 723 1 13 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.856 -0.357 19856 724 1 13 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.681 0.803 19856 725 1 13 . 1 1 6 6 LEU H H 6 8.016 8.016 7.444 0.572 19856 726 1 13 . 1 1 7 7 ALA HA H 7 3.893 3.893 3.997 -0.104 19856 727 1 13 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.574 0.302 19856 728 1 13 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.251 0.136 19856 729 1 13 . 1 1 7 7 ALA H H 7 8.133 8.133 7.729 0.404 19856 730 1 13 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.335 -0.147 19856 731 1 13 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.136 -0.195 19856 732 1 13 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.956 0.083 19856 733 1 13 . 1 1 8 8 LYS H H 8 7.355 7.355 8.076 -0.721 19856 734 1 13 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.373 -0.067 19856 735 1 13 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.110 0.740 19856 736 1 13 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.428 1.207 19856 737 1 13 . 1 1 9 9 VAL H H 9 7.570 7.570 7.631 -0.061 19856 738 1 13 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.793 -0.065 19856 739 1 13 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.596 0.345 19856 740 1 13 . 1 1 13 13 VAL CB C 13 32.053 32.053 32.022 0.031 19856 741 1 13 . 1 1 13 13 VAL H H 13 8.242 8.242 8.049 0.193 19856 742 1 13 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.809 -0.237 19856 743 1 13 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.329 0.498 19856 744 1 13 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.545 0.849 19856 745 1 13 . 1 1 14 14 VAL H H 14 8.234 8.234 8.299 -0.065 19856 746 1 13 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.651 0.415 19856 747 1 13 . 1 1 15 15 GLY H H 15 8.285 8.285 8.556 -0.271 19856 748 1 13 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.282 0.009 19856 749 1 13 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.431 1.500 19856 750 1 13 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.680 -1.179 19856 751 1 13 . 1 1 16 16 ALA H H 16 7.830 7.830 7.691 0.139 19856 752 1 13 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.957 -0.212 19856 753 1 13 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.409 -0.053 19856 754 1 13 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.907 0.196 19856 755 1 13 . 1 1 17 17 ILE H H 17 8.045 8.045 8.532 -0.487 19856 756 1 13 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.300 -0.265 19856 757 1 13 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.046 1.369 19856 758 1 13 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.361 0.141 19856 759 1 13 . 1 1 18 18 ALA H H 18 8.467 8.467 8.289 0.178 19856 760 1 13 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.194 -0.210 19856 761 1 13 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.099 0.307 19856 762 1 13 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.096 -0.278 19856 763 1 13 . 1 1 19 19 GLU H H 19 8.007 8.007 8.226 -0.219 19856 764 1 13 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.558 -0.293 19856 765 1 13 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.404 1.986 19856 766 1 13 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.194 -0.634 19856 767 1 13 . 1 1 20 20 HIS H H 20 7.795 7.795 7.896 -0.101 19856 768 1 14 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.711 -0.713 19856 769 1 14 . 1 1 2 2 LEU CA C 2 58.480 58.480 54.966 3.514 19856 770 1 14 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.225 0.222 19856 771 1 14 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.478 -0.313 19856 772 1 14 . 1 1 3 3 PHE CA C 3 61.601 61.601 59.999 1.602 19856 773 1 14 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.339 -0.370 19856 774 1 14 . 1 1 3 3 PHE H H 3 8.946 8.946 8.365 0.581 19856 775 1 14 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.652 -0.749 19856 776 1 14 . 1 1 4 4 GLY H H 4 8.199 8.199 8.726 -0.527 19856 777 1 14 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.135 -0.350 19856 778 1 14 . 1 1 5 5 VAL CA C 5 65.813 65.813 62.568 3.245 19856 779 1 14 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.132 -0.255 19856 780 1 14 . 1 1 5 5 VAL H H 5 7.715 7.715 7.353 0.362 19856 781 1 14 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.789 0.184 19856 782 1 14 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.722 -0.223 19856 783 1 14 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.781 0.703 19856 784 1 14 . 1 1 6 6 LEU H H 6 8.016 8.016 7.418 0.598 19856 785 1 14 . 1 1 7 7 ALA HA H 7 3.893 3.893 3.980 -0.087 19856 786 1 14 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.741 0.135 19856 787 1 14 . 1 1 7 7 ALA CB C 7 18.387 18.387 17.998 0.389 19856 788 1 14 . 1 1 7 7 ALA H H 7 8.133 8.133 7.765 0.368 19856 789 1 14 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.984 0.204 19856 790 1 14 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.138 -0.197 19856 791 1 14 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.846 0.193 19856 792 1 14 . 1 1 8 8 LYS H H 8 7.355 7.355 7.999 -0.644 19856 793 1 14 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.515 -0.209 19856 794 1 14 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.352 0.497 19856 795 1 14 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.987 0.648 19856 796 1 14 . 1 1 9 9 VAL H H 9 7.570 7.570 7.524 0.046 19856 797 1 14 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.278 0.450 19856 798 1 14 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.512 0.429 19856 799 1 14 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.630 0.423 19856 800 1 14 . 1 1 13 13 VAL H H 13 8.242 8.242 8.098 0.144 19856 801 1 14 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.775 -0.203 19856 802 1 14 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.671 1.155 19856 803 1 14 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.036 0.358 19856 804 1 14 . 1 1 14 14 VAL H H 14 8.234 8.234 8.174 0.060 19856 805 1 14 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.337 0.729 19856 806 1 14 . 1 1 15 15 GLY H H 15 8.285 8.285 8.249 0.036 19856 807 1 14 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.421 -0.130 19856 808 1 14 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.140 1.791 19856 809 1 14 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.477 -0.975 19856 810 1 14 . 1 1 16 16 ALA H H 16 7.830 7.830 7.708 0.122 19856 811 1 14 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.893 -0.148 19856 812 1 14 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.389 -0.033 19856 813 1 14 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.724 0.379 19856 814 1 14 . 1 1 17 17 ILE H H 17 8.045 8.045 8.579 -0.534 19856 815 1 14 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.157 -0.122 19856 816 1 14 . 1 1 18 18 ALA CA C 18 55.415 55.415 54.180 1.235 19856 817 1 14 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.246 0.256 19856 818 1 14 . 1 1 18 18 ALA H H 18 8.467 8.467 7.726 0.741 19856 819 1 14 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.124 -0.140 19856 820 1 14 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.136 0.270 19856 821 1 14 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.066 -0.248 19856 822 1 14 . 1 1 19 19 GLU H H 19 8.007 8.007 8.118 -0.111 19856 823 1 14 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.552 -0.287 19856 824 1 14 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.659 1.731 19856 825 1 14 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.082 -0.522 19856 826 1 14 . 1 1 20 20 HIS H H 20 7.795 7.795 7.833 -0.038 19856 827 1 15 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.434 -0.436 19856 828 1 15 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.355 2.125 19856 829 1 15 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.295 0.152 19856 830 1 15 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.303 -0.138 19856 831 1 15 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.418 1.183 19856 832 1 15 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.092 -0.123 19856 833 1 15 . 1 1 3 3 PHE H H 3 8.946 8.946 8.483 0.463 19856 834 1 15 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.269 -0.366 19856 835 1 15 . 1 1 4 4 GLY H H 4 8.199 8.199 8.555 -0.356 19856 836 1 15 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.141 -0.356 19856 837 1 15 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.412 2.401 19856 838 1 15 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.068 -0.191 19856 839 1 15 . 1 1 5 5 VAL H H 5 7.715 7.715 7.704 0.011 19856 840 1 15 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.808 0.165 19856 841 1 15 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.904 -0.405 19856 842 1 15 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.685 0.799 19856 843 1 15 . 1 1 6 6 LEU H H 6 8.016 8.016 7.452 0.564 19856 844 1 15 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.016 -0.123 19856 845 1 15 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.536 0.340 19856 846 1 15 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.250 0.137 19856 847 1 15 . 1 1 7 7 ALA H H 7 8.133 8.133 7.767 0.366 19856 848 1 15 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.328 -0.140 19856 849 1 15 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.376 -0.434 19856 850 1 15 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.125 -0.086 19856 851 1 15 . 1 1 8 8 LYS H H 8 7.355 7.355 8.067 -0.712 19856 852 1 15 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.372 -0.066 19856 853 1 15 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.703 1.147 19856 854 1 15 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.893 0.741 19856 855 1 15 . 1 1 9 9 VAL H H 9 7.570 7.570 7.587 -0.017 19856 856 1 15 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.846 -0.118 19856 857 1 15 . 1 1 13 13 VAL CA C 13 65.941 65.941 63.964 1.977 19856 858 1 15 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.193 0.860 19856 859 1 15 . 1 1 13 13 VAL H H 13 8.242 8.242 8.236 0.006 19856 860 1 15 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.818 -0.246 19856 861 1 15 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.069 0.758 19856 862 1 15 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.769 0.625 19856 863 1 15 . 1 1 14 14 VAL H H 14 8.234 8.234 8.312 -0.078 19856 864 1 15 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.732 0.334 19856 865 1 15 . 1 1 15 15 GLY H H 15 8.285 8.285 7.901 0.384 19856 866 1 15 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.305 -0.014 19856 867 1 15 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.477 1.454 19856 868 1 15 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.724 -1.222 19856 869 1 15 . 1 1 16 16 ALA H H 16 7.830 7.830 7.803 0.027 19856 870 1 15 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.984 -0.239 19856 871 1 15 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.476 -0.120 19856 872 1 15 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.883 0.220 19856 873 1 15 . 1 1 17 17 ILE H H 17 8.045 8.045 8.556 -0.511 19856 874 1 15 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.146 -0.111 19856 875 1 15 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.842 1.573 19856 876 1 15 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.463 0.039 19856 877 1 15 . 1 1 18 18 ALA H H 18 8.467 8.467 8.176 0.291 19856 878 1 15 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.188 -0.204 19856 879 1 15 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.934 0.472 19856 880 1 15 . 1 1 19 19 GLU CB C 19 29.818 29.818 29.956 -0.138 19856 881 1 15 . 1 1 19 19 GLU H H 19 8.007 8.007 8.188 -0.180 19856 882 1 15 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.552 -0.287 19856 883 1 15 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.746 1.644 19856 884 1 15 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.217 -0.657 19856 885 1 15 . 1 1 20 20 HIS H H 20 7.795 7.795 7.876 -0.081 19856 886 1 16 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.329 -0.331 19856 887 1 16 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.342 2.138 19856 888 1 16 . 1 1 2 2 LEU CB C 2 42.447 42.447 41.996 0.451 19856 889 1 16 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.309 -0.144 19856 890 1 16 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.522 1.079 19856 891 1 16 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.158 -0.189 19856 892 1 16 . 1 1 3 3 PHE H H 3 8.946 8.946 8.464 0.482 19856 893 1 16 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.487 -0.584 19856 894 1 16 . 1 1 4 4 GLY H H 4 8.199 8.199 8.534 -0.335 19856 895 1 16 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.159 -0.374 19856 896 1 16 . 1 1 5 5 VAL CA C 5 65.813 65.813 62.916 2.897 19856 897 1 16 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.207 -0.330 19856 898 1 16 . 1 1 5 5 VAL H H 5 7.715 7.715 7.538 0.177 19856 899 1 16 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.773 0.200 19856 900 1 16 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.877 -0.378 19856 901 1 16 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.710 0.774 19856 902 1 16 . 1 1 6 6 LEU H H 6 8.016 8.016 7.382 0.634 19856 903 1 16 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.049 -0.156 19856 904 1 16 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.575 0.301 19856 905 1 16 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.164 0.223 19856 906 1 16 . 1 1 7 7 ALA H H 7 8.133 8.133 7.792 0.341 19856 907 1 16 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.990 0.198 19856 908 1 16 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.326 -0.385 19856 909 1 16 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.879 0.160 19856 910 1 16 . 1 1 8 8 LYS H H 8 7.355 7.355 7.967 -0.612 19856 911 1 16 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.419 -0.113 19856 912 1 16 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.961 0.889 19856 913 1 16 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.979 0.656 19856 914 1 16 . 1 1 9 9 VAL H H 9 7.570 7.570 7.570 0.000 19856 915 1 16 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.351 0.377 19856 916 1 16 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.087 0.854 19856 917 1 16 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.308 0.745 19856 918 1 16 . 1 1 13 13 VAL H H 13 8.242 8.242 8.348 -0.106 19856 919 1 16 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.728 -0.156 19856 920 1 16 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.650 1.177 19856 921 1 16 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.075 0.319 19856 922 1 16 . 1 1 14 14 VAL H H 14 8.234 8.234 8.338 -0.104 19856 923 1 16 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.693 0.373 19856 924 1 16 . 1 1 15 15 GLY H H 15 8.285 8.285 7.666 0.619 19856 925 1 16 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.446 -0.155 19856 926 1 16 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.363 1.568 19856 927 1 16 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.517 -1.016 19856 928 1 16 . 1 1 16 16 ALA H H 16 7.830 7.830 7.740 0.090 19856 929 1 16 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.019 -0.274 19856 930 1 16 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.134 2.222 19856 931 1 16 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.366 1.737 19856 932 1 16 . 1 1 17 17 ILE H H 17 8.045 8.045 8.614 -0.569 19856 933 1 16 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.143 -0.108 19856 934 1 16 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.814 1.601 19856 935 1 16 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.464 0.038 19856 936 1 16 . 1 1 18 18 ALA H H 18 8.467 8.467 7.842 0.625 19856 937 1 16 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.157 -0.173 19856 938 1 16 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.009 0.397 19856 939 1 16 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.118 -0.300 19856 940 1 16 . 1 1 19 19 GLU H H 19 8.007 8.007 8.106 -0.099 19856 941 1 16 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.574 -0.309 19856 942 1 16 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.826 1.564 19856 943 1 16 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.265 -0.705 19856 944 1 16 . 1 1 20 20 HIS H H 20 7.795 7.795 7.860 -0.065 19856 945 1 17 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.522 -0.524 19856 946 1 17 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.740 2.740 19856 947 1 17 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.481 -0.034 19856 948 1 17 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.292 -0.127 19856 949 1 17 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.420 1.181 19856 950 1 17 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.179 -0.210 19856 951 1 17 . 1 1 3 3 PHE H H 3 8.946 8.946 8.505 0.441 19856 952 1 17 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.173 -0.270 19856 953 1 17 . 1 1 4 4 GLY H H 4 8.199 8.199 8.641 -0.442 19856 954 1 17 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.041 -0.256 19856 955 1 17 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.427 2.386 19856 956 1 17 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.324 -0.447 19856 957 1 17 . 1 1 5 5 VAL H H 5 7.715 7.715 7.621 0.094 19856 958 1 17 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.784 0.189 19856 959 1 17 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.721 -0.222 19856 960 1 17 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.845 0.639 19856 961 1 17 . 1 1 6 6 LEU H H 6 8.016 8.016 7.392 0.624 19856 962 1 17 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.043 -0.150 19856 963 1 17 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.584 0.292 19856 964 1 17 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.156 0.231 19856 965 1 17 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856 966 1 17 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.990 0.198 19856 967 1 17 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.356 -0.415 19856 968 1 17 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.903 0.136 19856 969 1 17 . 1 1 8 8 LYS H H 8 7.355 7.355 7.972 -0.617 19856 970 1 17 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.421 -0.115 19856 971 1 17 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.954 0.896 19856 972 1 17 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.977 0.658 19856 973 1 17 . 1 1 9 9 VAL H H 9 7.570 7.570 7.572 -0.002 19856 974 1 17 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.377 0.351 19856 975 1 17 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.365 0.576 19856 976 1 17 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.546 0.507 19856 977 1 17 . 1 1 13 13 VAL H H 13 8.242 8.242 8.264 -0.022 19856 978 1 17 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.779 -0.207 19856 979 1 17 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.906 0.921 19856 980 1 17 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.553 0.841 19856 981 1 17 . 1 1 14 14 VAL H H 14 8.234 8.234 8.393 -0.159 19856 982 1 17 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.630 0.436 19856 983 1 17 . 1 1 15 15 GLY H H 15 8.285 8.285 7.712 0.573 19856 984 1 17 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.413 -0.122 19856 985 1 17 . 1 1 16 16 ALA CA C 16 54.931 54.931 52.971 1.960 19856 986 1 17 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.860 -1.359 19856 987 1 17 . 1 1 16 16 ALA H H 16 7.830 7.830 7.774 0.056 19856 988 1 17 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.018 -0.273 19856 989 1 17 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.136 2.220 19856 990 1 17 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.363 1.740 19856 991 1 17 . 1 1 17 17 ILE H H 17 8.045 8.045 8.614 -0.569 19856 992 1 17 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.149 -0.114 19856 993 1 17 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.745 1.670 19856 994 1 17 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.370 0.132 19856 995 1 17 . 1 1 18 18 ALA H H 18 8.467 8.467 7.915 0.552 19856 996 1 17 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.141 -0.157 19856 997 1 17 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.086 0.320 19856 998 1 17 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.065 -0.247 19856 999 1 17 . 1 1 19 19 GLU H H 19 8.007 8.007 8.173 -0.166 19856 1000 1 17 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.577 -0.312 19856 1001 1 17 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.853 1.537 19856 1002 1 17 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.327 -0.767 19856 1003 1 17 . 1 1 20 20 HIS H H 20 7.795 7.795 7.848 -0.053 19856 1004 1 18 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.193 -0.195 19856 1005 1 18 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.342 2.138 19856 1006 1 18 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.362 0.085 19856 1007 1 18 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.262 -0.097 19856 1008 1 18 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.489 1.112 19856 1009 1 18 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.110 -0.141 19856 1010 1 18 . 1 1 3 3 PHE H H 3 8.946 8.946 8.445 0.501 19856 1011 1 18 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.472 -0.569 19856 1012 1 18 . 1 1 4 4 GLY H H 4 8.199 8.199 8.587 -0.388 19856 1013 1 18 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.177 -0.392 19856 1014 1 18 . 1 1 5 5 VAL CA C 5 65.813 65.813 62.712 3.101 19856 1015 1 18 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.135 -0.257 19856 1016 1 18 . 1 1 5 5 VAL H H 5 7.715 7.715 7.667 0.048 19856 1017 1 18 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.788 0.185 19856 1018 1 18 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.932 -0.433 19856 1019 1 18 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.750 0.734 19856 1020 1 18 . 1 1 6 6 LEU H H 6 8.016 8.016 7.397 0.619 19856 1021 1 18 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.060 -0.167 19856 1022 1 18 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.623 0.252 19856 1023 1 18 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.158 0.229 19856 1024 1 18 . 1 1 7 7 ALA H H 7 8.133 8.133 7.793 0.340 19856 1025 1 18 . 1 1 8 8 LYS HA H 8 4.188 4.188 3.998 0.190 19856 1026 1 18 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.389 -0.448 19856 1027 1 18 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.902 0.137 19856 1028 1 18 . 1 1 8 8 LYS H H 8 7.355 7.355 8.001 -0.646 19856 1029 1 18 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.436 -0.130 19856 1030 1 18 . 1 1 9 9 VAL CA C 9 61.850 61.850 60.949 0.901 19856 1031 1 18 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.965 0.670 19856 1032 1 18 . 1 1 9 9 VAL H H 9 7.570 7.570 7.591 -0.021 19856 1033 1 18 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.344 0.384 19856 1034 1 18 . 1 1 13 13 VAL CA C 13 65.941 65.941 65.379 0.562 19856 1035 1 18 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.968 0.085 19856 1036 1 18 . 1 1 13 13 VAL H H 13 8.242 8.242 8.085 0.157 19856 1037 1 18 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.743 -0.171 19856 1038 1 18 . 1 1 14 14 VAL CA C 14 66.827 66.827 65.864 0.963 19856 1039 1 18 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.739 0.655 19856 1040 1 18 . 1 1 14 14 VAL H H 14 8.234 8.234 8.340 -0.106 19856 1041 1 18 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.626 0.440 19856 1042 1 18 . 1 1 15 15 GLY H H 15 8.285 8.285 7.712 0.573 19856 1043 1 18 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.450 -0.159 19856 1044 1 18 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.361 1.570 19856 1045 1 18 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.525 -1.023 19856 1046 1 18 . 1 1 16 16 ALA H H 16 7.830 7.830 7.747 0.083 19856 1047 1 18 . 1 1 17 17 ILE HA H 17 3.745 3.745 4.052 -0.307 19856 1048 1 18 . 1 1 17 17 ILE CA C 17 65.356 65.356 63.159 2.197 19856 1049 1 18 . 1 1 17 17 ILE CB C 17 38.103 38.103 36.400 1.704 19856 1050 1 18 . 1 1 17 17 ILE H H 17 8.045 8.045 8.629 -0.584 19856 1051 1 18 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.123 -0.088 19856 1052 1 18 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.849 1.566 19856 1053 1 18 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.477 0.025 19856 1054 1 18 . 1 1 18 18 ALA H H 18 8.467 8.467 7.841 0.626 19856 1055 1 18 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.169 -0.185 19856 1056 1 18 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.888 0.518 19856 1057 1 18 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.078 -0.259 19856 1058 1 18 . 1 1 19 19 GLU H H 19 8.007 8.007 8.096 -0.089 19856 1059 1 18 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.514 -0.249 19856 1060 1 18 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.763 1.627 19856 1061 1 18 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.184 -0.624 19856 1062 1 18 . 1 1 20 20 HIS H H 20 7.795 7.795 7.845 -0.050 19856 1063 1 19 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.654 -0.656 19856 1064 1 19 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.583 2.897 19856 1065 1 19 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.458 -0.011 19856 1066 1 19 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.271 -0.106 19856 1067 1 19 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.487 1.114 19856 1068 1 19 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.330 -0.361 19856 1069 1 19 . 1 1 3 3 PHE H H 3 8.946 8.946 8.459 0.487 19856 1070 1 19 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.233 -0.330 19856 1071 1 19 . 1 1 4 4 GLY H H 4 8.199 8.199 8.666 -0.467 19856 1072 1 19 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.081 -0.296 19856 1073 1 19 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.618 2.195 19856 1074 1 19 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.368 -0.491 19856 1075 1 19 . 1 1 5 5 VAL H H 5 7.715 7.715 7.544 0.171 19856 1076 1 19 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.799 0.174 19856 1077 1 19 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.738 -0.239 19856 1078 1 19 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.890 0.594 19856 1079 1 19 . 1 1 6 6 LEU H H 6 8.016 8.016 7.404 0.612 19856 1080 1 19 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.013 -0.120 19856 1081 1 19 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.574 0.302 19856 1082 1 19 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.239 0.148 19856 1083 1 19 . 1 1 7 7 ALA H H 7 8.133 8.133 7.759 0.374 19856 1084 1 19 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.331 -0.143 19856 1085 1 19 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.273 -0.332 19856 1086 1 19 . 1 1 8 8 LYS CB C 8 33.039 33.039 33.011 0.028 19856 1087 1 19 . 1 1 8 8 LYS H H 8 7.355 7.355 8.078 -0.723 19856 1088 1 19 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.375 -0.069 19856 1089 1 19 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.129 0.721 19856 1090 1 19 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.472 1.163 19856 1091 1 19 . 1 1 9 9 VAL H H 9 7.570 7.570 7.645 -0.075 19856 1092 1 19 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.831 -0.103 19856 1093 1 19 . 1 1 13 13 VAL CA C 13 65.941 65.941 63.902 2.039 19856 1094 1 19 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.335 0.718 19856 1095 1 19 . 1 1 13 13 VAL H H 13 8.242 8.242 8.223 0.019 19856 1096 1 19 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.760 -0.188 19856 1097 1 19 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.072 0.755 19856 1098 1 19 . 1 1 14 14 VAL CB C 14 31.394 31.394 31.191 0.203 19856 1099 1 19 . 1 1 14 14 VAL H H 14 8.234 8.234 8.277 -0.043 19856 1100 1 19 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.663 0.403 19856 1101 1 19 . 1 1 15 15 GLY H H 15 8.285 8.285 7.783 0.502 19856 1102 1 19 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.453 -0.162 19856 1103 1 19 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.206 1.725 19856 1104 1 19 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.573 -1.071 19856 1105 1 19 . 1 1 16 16 ALA H H 16 7.830 7.830 7.860 -0.030 19856 1106 1 19 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.948 -0.203 19856 1107 1 19 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.463 -0.106 19856 1108 1 19 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.845 0.258 19856 1109 1 19 . 1 1 17 17 ILE H H 17 8.045 8.045 8.460 -0.415 19856 1110 1 19 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.161 -0.126 19856 1111 1 19 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.901 1.514 19856 1112 1 19 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.456 0.046 19856 1113 1 19 . 1 1 18 18 ALA H H 18 8.467 8.467 8.096 0.371 19856 1114 1 19 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.182 -0.198 19856 1115 1 19 . 1 1 19 19 GLU CA C 19 58.406 58.406 57.954 0.452 19856 1116 1 19 . 1 1 19 19 GLU CB C 19 29.818 29.818 29.953 -0.135 19856 1117 1 19 . 1 1 19 19 GLU H H 19 8.007 8.007 8.183 -0.176 19856 1118 1 19 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.599 -0.334 19856 1119 1 19 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.766 1.624 19856 1120 1 19 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.256 -0.696 19856 1121 1 19 . 1 1 20 20 HIS H H 20 7.795 7.795 7.886 -0.091 19856 1122 1 20 . 1 1 2 2 LEU HA H 2 3.998 3.998 4.672 -0.674 19856 1123 1 20 . 1 1 2 2 LEU CA C 2 58.480 58.480 55.718 2.761 19856 1124 1 20 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.208 0.239 19856 1125 1 20 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.325 -0.160 19856 1126 1 20 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.459 1.142 19856 1127 1 20 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.259 -0.290 19856 1128 1 20 . 1 1 3 3 PHE H H 3 8.946 8.946 8.487 0.459 19856 1129 1 20 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.166 -0.263 19856 1130 1 20 . 1 1 4 4 GLY H H 4 8.199 8.199 8.608 -0.409 19856 1131 1 20 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.088 -0.303 19856 1132 1 20 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.810 2.003 19856 1133 1 20 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.232 -0.355 19856 1134 1 20 . 1 1 5 5 VAL H H 5 7.715 7.715 7.546 0.169 19856 1135 1 20 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.866 0.107 19856 1136 1 20 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.837 -0.338 19856 1137 1 20 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.886 0.598 19856 1138 1 20 . 1 1 6 6 LEU H H 6 8.016 8.016 7.445 0.571 19856 1139 1 20 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.087 -0.194 19856 1140 1 20 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.593 0.283 19856 1141 1 20 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.231 0.156 19856 1142 1 20 . 1 1 7 7 ALA H H 7 8.133 8.133 7.772 0.361 19856 1143 1 20 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.252 -0.064 19856 1144 1 20 . 1 1 8 8 LYS CA C 8 57.941 57.941 57.742 0.199 19856 1145 1 20 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.983 0.057 19856 1146 1 20 . 1 1 8 8 LYS H H 8 7.355 7.355 8.083 -0.728 19856 1147 1 20 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.414 -0.108 19856 1148 1 20 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.808 0.042 19856 1149 1 20 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.802 0.833 19856 1150 1 20 . 1 1 9 9 VAL H H 9 7.570 7.570 7.593 -0.023 19856 1151 1 20 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.812 -0.084 19856 1152 1 20 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.246 1.695 19856 1153 1 20 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.266 0.787 19856 1154 1 20 . 1 1 13 13 VAL H H 13 8.242 8.242 8.103 0.139 19856 1155 1 20 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.796 -0.224 19856 1156 1 20 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.757 0.070 19856 1157 1 20 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.685 0.709 19856 1158 1 20 . 1 1 14 14 VAL H H 14 8.234 8.234 8.339 -0.105 19856 1159 1 20 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.694 0.372 19856 1160 1 20 . 1 1 15 15 GLY H H 15 8.285 8.285 8.563 -0.278 19856 1161 1 20 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.306 -0.015 19856 1162 1 20 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.291 1.641 19856 1163 1 20 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.760 -1.258 19856 1164 1 20 . 1 1 16 16 ALA H H 16 7.830 7.830 7.667 0.163 19856 1165 1 20 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.942 -0.197 19856 1166 1 20 . 1 1 17 17 ILE CA C 17 65.356 65.356 65.463 -0.107 19856 1167 1 20 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.861 0.242 19856 1168 1 20 . 1 1 17 17 ILE H H 17 8.045 8.045 8.620 -0.575 19856 1169 1 20 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.157 -0.122 19856 1170 1 20 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.898 1.517 19856 1171 1 20 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.427 0.075 19856 1172 1 20 . 1 1 18 18 ALA H H 18 8.467 8.467 8.310 0.157 19856 1173 1 20 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.163 -0.179 19856 1174 1 20 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.219 0.187 19856 1175 1 20 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.020 -0.202 19856 1176 1 20 . 1 1 19 19 GLU H H 19 8.007 8.007 8.194 -0.187 19856 1177 1 20 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.596 -0.331 19856 1178 1 20 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.763 1.627 19856 1179 1 20 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.292 -0.732 19856 1180 1 20 . 1 1 20 20 HIS H H 20 7.795 7.795 7.870 -0.075 19856 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 19856 2 1 1 "Average Difference" HA 18 0.221 0.061 0.218 19856 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19856 4 1 1 "Average Difference" CA 16 1.302 -0.855 1.015 19856 5 1 1 "Average Difference" CB 14 0.529 -0.127 0.533 19856 6 1 1 "Average Difference" HN 15 0.358 -0.039 0.369 19856 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19856 8 1 2 "Average Difference" HA 18 0.230 0.059 0.229 19856 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19856 10 1 2 "Average Difference" CA 16 1.336 -0.966 0.954 19856 11 1 2 "Average Difference" CB 14 0.695 -0.144 0.706 19856 12 1 2 "Average Difference" HN 15 0.399 -0.080 0.405 19856 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19856 14 1 3 "Average Difference" HA 18 0.210 0.046 0.211 19856 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19856 16 1 3 "Average Difference" CA 16 1.085 -0.741 0.820 19856 17 1 3 "Average Difference" CB 14 0.626 -0.183 0.621 19856 18 1 3 "Average Difference" HN 15 0.342 -0.042 0.351 19856 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19856 20 1 4 "Average Difference" HA 18 0.197 0.042 0.198 19856 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19856 22 1 4 "Average Difference" CA 16 1.154 -0.832 0.826 19856 23 1 4 "Average Difference" CB 14 0.599 -0.121 0.608 19856 24 1 4 "Average Difference" HN 15 0.368 -0.060 0.376 19856 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19856 26 1 5 "Average Difference" HA 18 0.231 0.040 0.234 19856 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19856 28 1 5 "Average Difference" CA 16 1.179 -0.826 0.869 19856 29 1 5 "Average Difference" CB 14 0.467 -0.014 0.485 19856 30 1 5 "Average Difference" HN 15 0.345 -0.080 0.348 19856 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19856 32 1 6 "Average Difference" HA 18 0.221 0.075 0.214 19856 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19856 34 1 6 "Average Difference" CA 16 1.252 -0.931 0.865 19856 35 1 6 "Average Difference" CB 14 0.758 -0.262 0.738 19856 36 1 6 "Average Difference" HN 15 0.404 -0.069 0.412 19856 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19856 38 1 7 "Average Difference" HA 18 0.243 0.076 0.237 19856 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19856 40 1 7 "Average Difference" CA 16 1.383 -1.012 0.974 19856 41 1 7 "Average Difference" CB 14 0.649 -0.138 0.658 19856 42 1 7 "Average Difference" HN 15 0.390 -0.049 0.400 19856 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19856 44 1 8 "Average Difference" HA 18 0.234 0.069 0.231 19856 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19856 46 1 8 "Average Difference" CA 16 1.273 -0.875 0.956 19856 47 1 8 "Average Difference" CB 14 0.552 -0.056 0.570 19856 48 1 8 "Average Difference" HN 15 0.397 -0.061 0.406 19856 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19856 50 1 9 "Average Difference" HA 18 0.226 0.067 0.222 19856 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19856 52 1 9 "Average Difference" CA 16 1.312 -0.909 0.977 19856 53 1 9 "Average Difference" CB 14 0.662 -0.191 0.658 19856 54 1 9 "Average Difference" HN 15 0.394 -0.074 0.400 19856 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19856 56 1 10 "Average Difference" HA 18 0.196 0.104 0.171 19856 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19856 58 1 10 "Average Difference" CA 16 1.267 -0.822 0.996 19856 59 1 10 "Average Difference" CB 14 0.527 0.007 0.547 19856 60 1 10 "Average Difference" HN 15 0.356 0.014 0.368 19856 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19856 62 1 11 "Average Difference" HA 18 0.173 0.097 0.148 19856 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19856 64 1 11 "Average Difference" CA 16 1.297 -0.954 0.908 19856 65 1 11 "Average Difference" CB 14 0.723 -0.127 0.739 19856 66 1 11 "Average Difference" HN 15 0.354 0.023 0.365 19856 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19856 68 1 12 "Average Difference" HA 18 0.184 0.107 0.154 19856 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19856 70 1 12 "Average Difference" CA 16 1.256 -0.881 0.924 19856 71 1 12 "Average Difference" CB 14 0.621 -0.057 0.642 19856 72 1 12 "Average Difference" HN 15 0.367 0.025 0.379 19856 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19856 74 1 13 "Average Difference" HA 18 0.182 0.103 0.154 19856 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19856 76 1 13 "Average Difference" CA 16 1.095 -0.735 0.838 19856 77 1 13 "Average Difference" CB 14 0.591 -0.068 0.609 19856 78 1 13 "Average Difference" HN 15 0.349 0.010 0.361 19856 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19856 80 1 14 "Average Difference" HA 18 0.271 0.080 0.266 19856 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19856 82 1 14 "Average Difference" CA 16 1.504 -0.946 1.208 19856 83 1 14 "Average Difference" CB 14 0.475 -0.086 0.485 19856 84 1 14 "Average Difference" HN 15 0.412 -0.080 0.418 19856 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19856 86 1 15 "Average Difference" HA 18 0.200 0.107 0.174 19856 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19856 88 1 15 "Average Difference" CA 16 1.268 -0.880 0.943 19856 89 1 15 "Average Difference" CB 14 0.561 -0.083 0.576 19856 90 1 15 "Average Difference" HN 15 0.350 -0.012 0.362 19856 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19856 92 1 16 "Average Difference" HA 18 0.220 0.056 0.219 19856 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19856 94 1 16 "Average Difference" CA 16 1.380 -0.982 1.001 19856 95 1 16 "Average Difference" CB 14 0.694 -0.183 0.695 19856 96 1 16 "Average Difference" HN 15 0.401 -0.072 0.408 19856 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19856 98 1 17 "Average Difference" HA 18 0.226 0.066 0.223 19856 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19856 100 1 17 "Average Difference" CA 16 1.396 -1.014 0.990 19856 101 1 17 "Average Difference" CB 14 0.740 -0.130 0.756 19856 102 1 17 "Average Difference" HN 15 0.393 -0.045 0.404 19856 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19856 104 1 18 "Average Difference" HA 18 0.209 0.051 0.209 19856 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19856 106 1 18 "Average Difference" CA 16 1.394 -0.969 1.036 19856 107 1 18 "Average Difference" CB 14 0.654 -0.144 0.662 19856 108 1 18 "Average Difference" HN 15 0.403 -0.071 0.410 19856 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19856 110 1 19 "Average Difference" HA 18 0.229 0.115 0.204 19856 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19856 112 1 19 "Average Difference" CA 16 1.331 -0.921 0.993 19856 113 1 19 "Average Difference" CB 14 0.559 -0.028 0.579 19856 114 1 19 "Average Difference" HN 15 0.377 -0.034 0.389 19856 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19856 116 1 20 "Average Difference" HA 18 0.228 0.122 0.198 19856 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19856 118 1 20 "Average Difference" CA 16 1.223 -0.802 0.954 19856 119 1 20 "Average Difference" CB 14 0.579 -0.061 0.597 19856 120 1 20 "Average Difference" HN 15 0.358 0.024 0.370 19856 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 19856 _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 3.998 3.998 4.400 -0.402 19856 2 1 . 1 1 2 2 LEU CA C 2 58.480 58.480 56.171 2.309 19856 3 1 . 1 1 2 2 LEU CB C 2 42.447 42.447 42.294 0.153 19856 4 1 . 1 1 3 3 PHE HA H 3 4.165 4.165 4.318 -0.153 19856 5 1 . 1 1 3 3 PHE CA C 3 61.601 61.601 60.444 1.157 19856 6 1 . 1 1 3 3 PHE CB C 3 37.969 37.969 38.187 -0.218 19856 7 1 . 1 1 3 3 PHE H H 3 8.946 8.946 8.451 0.495 19856 8 1 . 1 1 4 4 GLY CA C 4 46.903 46.903 47.294 -0.391 19856 9 1 . 1 1 4 4 GLY H H 4 8.199 8.199 8.595 -0.396 19856 10 1 . 1 1 5 5 VAL HA H 5 3.785 3.785 4.105 -0.320 19856 11 1 . 1 1 5 5 VAL CA C 5 65.813 65.813 63.304 2.509 19856 12 1 . 1 1 5 5 VAL CB C 5 31.877 31.877 32.228 -0.351 19856 13 1 . 1 1 5 5 VAL H H 5 7.715 7.715 7.529 0.186 19856 14 1 . 1 1 6 6 LEU HA H 6 3.973 3.973 3.805 0.168 19856 15 1 . 1 1 6 6 LEU CA C 6 57.499 57.499 57.808 -0.309 19856 16 1 . 1 1 6 6 LEU CB C 6 41.484 41.484 40.811 0.673 19856 17 1 . 1 1 6 6 LEU H H 6 8.016 8.016 7.409 0.607 19856 18 1 . 1 1 7 7 ALA HA H 7 3.893 3.893 4.027 -0.134 19856 19 1 . 1 1 7 7 ALA CA C 7 54.876 54.876 54.629 0.247 19856 20 1 . 1 1 7 7 ALA CB C 7 18.387 18.387 18.148 0.239 19856 21 1 . 1 1 7 7 ALA H H 7 8.133 8.133 7.773 0.360 19856 22 1 . 1 1 8 8 LYS HA H 8 4.188 4.188 4.107 0.081 19856 23 1 . 1 1 8 8 LYS CA C 8 57.941 57.941 58.180 -0.238 19856 24 1 . 1 1 8 8 LYS CB C 8 33.039 33.039 32.936 0.104 19856 25 1 . 1 1 8 8 LYS H H 8 7.355 7.355 8.014 -0.659 19856 26 1 . 1 1 9 9 VAL HA H 9 4.306 4.306 4.473 -0.167 19856 27 1 . 1 1 9 9 VAL CA C 9 61.850 61.850 61.042 0.808 19856 28 1 . 1 1 9 9 VAL CB C 9 32.635 32.635 31.772 0.863 19856 29 1 . 1 1 9 9 VAL H H 9 7.570 7.570 7.561 0.009 19856 30 1 . 1 1 13 13 VAL HA H 13 3.728 3.728 3.497 0.231 19856 31 1 . 1 1 13 13 VAL CA C 13 65.941 65.941 64.845 1.096 19856 32 1 . 1 1 13 13 VAL CB C 13 32.053 32.053 31.554 0.499 19856 33 1 . 1 1 13 13 VAL H H 13 8.242 8.242 8.101 0.141 19856 34 1 . 1 1 14 14 VAL HA H 14 3.572 3.572 3.789 -0.217 19856 35 1 . 1 1 14 14 VAL CA C 14 66.827 66.827 66.017 0.810 19856 36 1 . 1 1 14 14 VAL CB C 14 31.394 31.394 30.704 0.690 19856 37 1 . 1 1 14 14 VAL H H 14 8.234 8.234 8.259 -0.025 19856 38 1 . 1 1 15 15 GLY CA C 15 47.066 47.066 46.612 0.454 19856 39 1 . 1 1 15 15 GLY H H 15 8.285 8.285 8.228 0.057 19856 40 1 . 1 1 16 16 ALA HA H 16 4.291 4.291 4.365 -0.074 19856 41 1 . 1 1 16 16 ALA CA C 16 54.931 54.931 53.276 1.655 19856 42 1 . 1 1 16 16 ALA CB C 16 18.502 18.502 19.636 -1.135 19856 43 1 . 1 1 16 16 ALA H H 16 7.830 7.830 7.706 0.124 19856 44 1 . 1 1 17 17 ILE HA H 17 3.745 3.745 3.967 -0.222 19856 45 1 . 1 1 17 17 ILE CA C 17 65.356 65.356 64.658 0.698 19856 46 1 . 1 1 17 17 ILE CB C 17 38.103 38.103 37.329 0.774 19856 47 1 . 1 1 17 17 ILE H H 17 8.045 8.045 8.595 -0.550 19856 48 1 . 1 1 18 18 ALA HA H 18 4.035 4.035 4.156 -0.121 19856 49 1 . 1 1 18 18 ALA CA C 18 55.415 55.415 53.957 1.458 19856 50 1 . 1 1 18 18 ALA CB C 18 18.502 18.502 18.380 0.123 19856 51 1 . 1 1 18 18 ALA H H 18 8.467 8.467 8.038 0.429 19856 52 1 . 1 1 19 19 GLU HA H 19 3.984 3.984 4.154 -0.170 19856 53 1 . 1 1 19 19 GLU CA C 19 58.406 58.406 58.056 0.350 19856 54 1 . 1 1 19 19 GLU CB C 19 29.818 29.818 30.051 -0.233 19856 55 1 . 1 1 19 19 GLU H H 19 8.007 8.007 8.147 -0.140 19856 56 1 . 1 1 20 20 HIS HA H 20 4.265 4.265 4.560 -0.295 19856 57 1 . 1 1 20 20 HIS CA C 20 58.390 58.390 56.722 1.668 19856 58 1 . 1 1 20 20 HIS CB C 20 29.560 29.560 30.205 -0.645 19856 59 1 . 1 1 20 20 HIS H H 20 7.795 7.795 7.852 -0.057 19856 stop_ save_