data_25297 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25297 _Entry.PDB_ID 2MW3 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 25297 _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 3.737 3.737 4.037 -0.300 25297 2 1 1 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.019 -1.419 25297 3 1 1 . 1 1 2 2 LEU H H 2 8.056 8.056 8.622 -0.566 25297 4 1 1 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.211 -2.611 25297 5 1 1 . 1 1 3 3 GLY H H 3 8.323 8.323 7.646 0.677 25297 6 1 1 . 1 1 4 4 SER HA H 4 4.558 4.558 4.511 0.047 25297 7 1 1 . 1 1 4 4 SER CA C 4 54.500 54.500 58.944 -4.444 25297 8 1 1 . 1 1 4 4 SER H H 4 7.675 7.675 8.547 -0.872 25297 9 1 1 . 1 1 5 5 SER HA H 5 4.558 4.558 4.380 0.178 25297 10 1 1 . 1 1 5 5 SER CA C 5 55.200 55.200 57.138 -1.938 25297 11 1 1 . 1 1 5 5 SER H H 5 8.171 8.171 7.538 0.633 25297 12 1 1 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.272 0.097 25297 13 1 1 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.687 -3.087 25297 14 1 1 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.629 -0.096 25297 15 1 1 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.154 -2.754 25297 16 1 1 . 1 1 7 7 TYR H H 7 7.656 7.656 7.412 0.244 25297 17 1 1 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.397 -0.348 25297 18 1 1 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.659 -1.659 25297 19 1 1 . 1 1 8 8 ASN H H 8 8.524 8.524 8.468 0.056 25297 20 1 1 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.801 0.043 25297 21 1 1 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.032 -6.532 25297 22 1 1 . 1 1 9 9 ASP H H 9 8.888 8.888 8.344 0.544 25297 23 1 1 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.225 -0.174 25297 24 1 1 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.606 -1.306 25297 25 1 1 . 1 1 10 10 ILE H H 10 8.230 8.230 7.944 0.286 25297 26 1 1 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.457 0.065 25297 27 1 1 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.813 -3.014 25297 28 1 1 . 1 1 11 11 LEU H H 11 7.283 7.283 7.955 -0.672 25297 29 1 1 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.613 -3.313 25297 30 1 1 . 1 1 12 12 GLY H H 12 8.394 8.394 8.000 0.394 25297 31 1 1 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.638 0.195 25297 32 1 1 . 1 1 13 13 TYR CA C 13 52.900 52.900 55.582 -2.682 25297 33 1 1 . 1 1 13 13 TYR H H 13 6.984 6.984 7.753 -0.769 25297 34 1 1 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.343 -0.031 25297 35 1 1 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.740 -1.740 25297 36 1 1 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.511 -0.314 25297 37 1 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.460 -1.660 25297 38 1 1 . 1 1 15 15 ALA H H 15 8.566 8.566 9.083 -0.517 25297 39 1 1 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.628 -0.069 25297 40 1 1 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.766 -1.366 25297 41 1 1 . 1 1 16 16 LEU H H 16 8.202 8.202 8.420 -0.218 25297 42 1 1 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.183 0.053 25297 43 1 1 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.934 -4.034 25297 44 1 1 . 1 1 17 17 ILE H H 17 7.656 7.656 7.831 -0.175 25297 45 1 1 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.396 -0.205 25297 46 1 1 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.331 -2.631 25297 47 1 1 . 1 1 18 18 VAL H H 18 8.329 8.329 8.004 0.325 25297 48 1 1 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.122 0.128 25297 49 1 1 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.625 -4.825 25297 50 1 1 . 1 1 19 19 ILE H H 19 8.058 8.058 8.272 -0.214 25297 51 1 1 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.185 -0.415 25297 52 1 1 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.131 -1.331 25297 53 1 1 . 1 1 20 20 TYR H H 20 8.154 8.154 7.239 0.915 25297 54 1 2 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.004 -0.267 25297 55 1 2 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.978 -1.378 25297 56 1 2 . 1 1 2 2 LEU H H 2 8.056 8.056 8.509 -0.453 25297 57 1 2 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.335 -3.735 25297 58 1 2 . 1 1 3 3 GLY H H 3 8.323 8.323 7.609 0.714 25297 59 1 2 . 1 1 4 4 SER HA H 4 4.558 4.558 4.579 -0.021 25297 60 1 2 . 1 1 4 4 SER CA C 4 54.500 54.500 58.627 -4.127 25297 61 1 2 . 1 1 4 4 SER H H 4 7.675 7.675 8.368 -0.693 25297 62 1 2 . 1 1 5 5 SER HA H 5 4.558 4.558 4.469 0.089 25297 63 1 2 . 1 1 5 5 SER CA C 5 55.200 55.200 57.419 -2.219 25297 64 1 2 . 1 1 5 5 SER H H 5 8.171 8.171 7.817 0.354 25297 65 1 2 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.312 0.057 25297 66 1 2 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.645 -3.045 25297 67 1 2 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.521 0.012 25297 68 1 2 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.844 -4.444 25297 69 1 2 . 1 1 7 7 TYR H H 7 7.656 7.656 7.560 0.096 25297 70 1 2 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.334 -0.285 25297 71 1 2 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.377 -2.377 25297 72 1 2 . 1 1 8 8 ASN H H 8 8.524 8.524 8.520 0.004 25297 73 1 2 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.662 0.182 25297 74 1 2 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.472 -6.972 25297 75 1 2 . 1 1 9 9 ASP H H 9 8.888 8.888 8.438 0.450 25297 76 1 2 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.256 -0.205 25297 77 1 2 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.559 -1.259 25297 78 1 2 . 1 1 10 10 ILE H H 10 8.230 8.230 7.816 0.414 25297 79 1 2 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.498 0.024 25297 80 1 2 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.932 -3.132 25297 81 1 2 . 1 1 11 11 LEU H H 11 7.283 7.283 8.048 -0.765 25297 82 1 2 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.384 -3.084 25297 83 1 2 . 1 1 12 12 GLY H H 12 8.394 8.394 7.707 0.687 25297 84 1 2 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.441 0.392 25297 85 1 2 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.666 -3.766 25297 86 1 2 . 1 1 13 13 TYR H H 13 6.984 6.984 7.908 -0.924 25297 87 1 2 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.440 -0.128 25297 88 1 2 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.292 -1.292 25297 89 1 2 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.624 -0.427 25297 90 1 2 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.285 -0.485 25297 91 1 2 . 1 1 15 15 ALA H H 15 8.566 8.566 9.026 -0.460 25297 92 1 2 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.806 -0.247 25297 93 1 2 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.328 -1.928 25297 94 1 2 . 1 1 16 16 LEU H H 16 8.202 8.202 8.675 -0.473 25297 95 1 2 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.968 0.268 25297 96 1 2 . 1 1 17 17 ILE CA C 17 57.900 57.900 63.840 -5.940 25297 97 1 2 . 1 1 17 17 ILE H H 17 7.656 7.656 7.522 0.134 25297 98 1 2 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.715 0.476 25297 99 1 2 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.338 -4.638 25297 100 1 2 . 1 1 18 18 VAL H H 18 8.329 8.329 7.862 0.467 25297 101 1 2 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.130 0.120 25297 102 1 2 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.251 -3.451 25297 103 1 2 . 1 1 19 19 ILE H H 19 8.058 8.058 7.291 0.767 25297 104 1 2 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.321 0.449 25297 105 1 2 . 1 1 20 20 TYR CA C 20 52.800 52.800 57.531 -4.731 25297 106 1 2 . 1 1 20 20 TYR H H 20 8.154 8.154 7.583 0.571 25297 107 1 3 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.011 -0.274 25297 108 1 3 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.761 -1.161 25297 109 1 3 . 1 1 2 2 LEU H H 2 8.056 8.056 8.523 -0.467 25297 110 1 3 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.325 -2.725 25297 111 1 3 . 1 1 3 3 GLY H H 3 8.323 8.323 7.555 0.768 25297 112 1 3 . 1 1 4 4 SER HA H 4 4.558 4.558 4.580 -0.022 25297 113 1 3 . 1 1 4 4 SER CA C 4 54.500 54.500 58.399 -3.899 25297 114 1 3 . 1 1 4 4 SER H H 4 7.675 7.675 8.453 -0.778 25297 115 1 3 . 1 1 5 5 SER HA H 5 4.558 4.558 4.754 -0.196 25297 116 1 3 . 1 1 5 5 SER CA C 5 55.200 55.200 57.381 -2.181 25297 117 1 3 . 1 1 5 5 SER H H 5 8.171 8.171 8.133 0.038 25297 118 1 3 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.326 0.043 25297 119 1 3 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.656 -3.056 25297 120 1 3 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.533 0.000 25297 121 1 3 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.734 -4.334 25297 122 1 3 . 1 1 7 7 TYR H H 7 7.656 7.656 7.591 0.065 25297 123 1 3 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.116 -0.067 25297 124 1 3 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.390 -2.390 25297 125 1 3 . 1 1 8 8 ASN H H 8 8.524 8.524 8.525 -0.001 25297 126 1 3 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.641 0.203 25297 127 1 3 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.565 -7.065 25297 128 1 3 . 1 1 9 9 ASP H H 9 8.888 8.888 8.540 0.348 25297 129 1 3 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.392 -0.341 25297 130 1 3 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.714 -1.414 25297 131 1 3 . 1 1 10 10 ILE H H 10 8.230 8.230 7.832 0.398 25297 132 1 3 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.636 -0.114 25297 133 1 3 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.810 -3.010 25297 134 1 3 . 1 1 11 11 LEU H H 11 7.283 7.283 7.980 -0.697 25297 135 1 3 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.486 -3.186 25297 136 1 3 . 1 1 12 12 GLY H H 12 8.394 8.394 7.878 0.516 25297 137 1 3 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.584 0.249 25297 138 1 3 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.065 -3.165 25297 139 1 3 . 1 1 13 13 TYR H H 13 6.984 6.984 7.872 -0.888 25297 140 1 3 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.328 -0.016 25297 141 1 3 . 1 1 14 14 PRO CA C 14 62.000 62.000 64.031 -2.031 25297 142 1 3 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.692 -0.495 25297 143 1 3 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.524 -0.724 25297 144 1 3 . 1 1 15 15 ALA H H 15 8.566 8.566 9.147 -0.581 25297 145 1 3 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.753 -0.194 25297 146 1 3 . 1 1 16 16 LEU CA C 16 52.400 52.400 55.183 -2.783 25297 147 1 3 . 1 1 16 16 LEU H H 16 8.202 8.202 8.611 -0.409 25297 148 1 3 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.229 0.007 25297 149 1 3 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.924 -3.024 25297 150 1 3 . 1 1 17 17 ILE H H 17 7.656 7.656 7.920 -0.264 25297 151 1 3 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.039 0.152 25297 152 1 3 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.105 -3.405 25297 153 1 3 . 1 1 18 18 VAL H H 18 8.329 8.329 7.528 0.801 25297 154 1 3 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.962 0.288 25297 155 1 3 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.783 -3.983 25297 156 1 3 . 1 1 19 19 ILE H H 19 8.058 8.058 7.878 0.180 25297 157 1 3 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.308 0.462 25297 158 1 3 . 1 1 20 20 TYR CA C 20 52.800 52.800 56.524 -3.724 25297 159 1 3 . 1 1 20 20 TYR H H 20 8.154 8.154 7.739 0.415 25297 160 1 4 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.022 -0.285 25297 161 1 4 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.986 -1.386 25297 162 1 4 . 1 1 2 2 LEU H H 2 8.056 8.056 8.691 -0.635 25297 163 1 4 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.550 -2.950 25297 164 1 4 . 1 1 3 3 GLY H H 3 8.323 8.323 7.419 0.904 25297 165 1 4 . 1 1 4 4 SER HA H 4 4.558 4.558 4.405 0.153 25297 166 1 4 . 1 1 4 4 SER CA C 4 54.500 54.500 58.497 -3.997 25297 167 1 4 . 1 1 4 4 SER H H 4 7.675 7.675 8.227 -0.552 25297 168 1 4 . 1 1 5 5 SER HA H 5 4.558 4.558 4.140 0.418 25297 169 1 4 . 1 1 5 5 SER CA C 5 55.200 55.200 57.890 -2.690 25297 170 1 4 . 1 1 5 5 SER H H 5 8.171 8.171 7.529 0.642 25297 171 1 4 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.196 0.173 25297 172 1 4 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.238 -3.638 25297 173 1 4 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.529 0.004 25297 174 1 4 . 1 1 7 7 TYR CA C 7 53.400 53.400 54.626 -1.226 25297 175 1 4 . 1 1 7 7 TYR H H 7 7.656 7.656 7.004 0.652 25297 176 1 4 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.160 -0.112 25297 177 1 4 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.748 -1.748 25297 178 1 4 . 1 1 8 8 ASN H H 8 8.524 8.524 8.401 0.123 25297 179 1 4 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.689 0.155 25297 180 1 4 . 1 1 9 9 ASP CA C 9 48.500 48.500 54.685 -6.185 25297 181 1 4 . 1 1 9 9 ASP H H 9 8.888 8.888 8.373 0.515 25297 182 1 4 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.179 -0.128 25297 183 1 4 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.727 -1.427 25297 184 1 4 . 1 1 10 10 ILE H H 10 8.230 8.230 7.910 0.320 25297 185 1 4 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.507 0.015 25297 186 1 4 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.120 -3.320 25297 187 1 4 . 1 1 11 11 LEU H H 11 7.283 7.283 7.943 -0.660 25297 188 1 4 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.367 -3.067 25297 189 1 4 . 1 1 12 12 GLY H H 12 8.394 8.394 7.990 0.404 25297 190 1 4 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.584 0.249 25297 191 1 4 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.202 -3.302 25297 192 1 4 . 1 1 13 13 TYR H H 13 6.984 6.984 7.845 -0.861 25297 193 1 4 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.335 -0.023 25297 194 1 4 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.638 -1.638 25297 195 1 4 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.544 -0.347 25297 196 1 4 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.075 -0.275 25297 197 1 4 . 1 1 15 15 ALA H H 15 8.566 8.566 8.841 -0.275 25297 198 1 4 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.631 -0.072 25297 199 1 4 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.876 -1.476 25297 200 1 4 . 1 1 16 16 LEU H H 16 8.202 8.202 8.425 -0.223 25297 201 1 4 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.980 0.256 25297 202 1 4 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.997 -4.097 25297 203 1 4 . 1 1 17 17 ILE H H 17 7.656 7.656 7.627 0.029 25297 204 1 4 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.905 0.286 25297 205 1 4 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.210 -3.510 25297 206 1 4 . 1 1 18 18 VAL H H 18 8.329 8.329 8.279 0.050 25297 207 1 4 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.168 0.082 25297 208 1 4 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.036 -4.237 25297 209 1 4 . 1 1 19 19 ILE H H 19 8.058 8.058 7.282 0.776 25297 210 1 4 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.678 0.092 25297 211 1 4 . 1 1 20 20 TYR CA C 20 52.800 52.800 57.979 -5.179 25297 212 1 4 . 1 1 20 20 TYR H H 20 8.154 8.154 7.172 0.982 25297 213 1 5 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.950 -0.213 25297 214 1 5 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.423 -0.823 25297 215 1 5 . 1 1 2 2 LEU H H 2 8.056 8.056 8.651 -0.595 25297 216 1 5 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.391 -3.791 25297 217 1 5 . 1 1 3 3 GLY H H 3 8.323 8.323 7.749 0.574 25297 218 1 5 . 1 1 4 4 SER HA H 4 4.558 4.558 4.698 -0.140 25297 219 1 5 . 1 1 4 4 SER CA C 4 54.500 54.500 58.007 -3.507 25297 220 1 5 . 1 1 4 4 SER H H 4 7.675 7.675 8.383 -0.708 25297 221 1 5 . 1 1 5 5 SER HA H 5 4.558 4.558 4.612 -0.054 25297 222 1 5 . 1 1 5 5 SER CA C 5 55.200 55.200 57.223 -2.023 25297 223 1 5 . 1 1 5 5 SER H H 5 8.171 8.171 8.319 -0.148 25297 224 1 5 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.133 0.236 25297 225 1 5 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.499 -3.899 25297 226 1 5 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.535 -0.002 25297 227 1 5 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.982 -3.582 25297 228 1 5 . 1 1 7 7 TYR H H 7 7.656 7.656 7.858 -0.202 25297 229 1 5 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.055 -0.006 25297 230 1 5 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.342 -2.342 25297 231 1 5 . 1 1 8 8 ASN H H 8 8.524 8.524 8.485 0.039 25297 232 1 5 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.711 0.133 25297 233 1 5 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.270 -6.770 25297 234 1 5 . 1 1 9 9 ASP H H 9 8.888 8.888 8.777 0.111 25297 235 1 5 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.244 -0.193 25297 236 1 5 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.698 -1.398 25297 237 1 5 . 1 1 10 10 ILE H H 10 8.230 8.230 7.940 0.290 25297 238 1 5 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.527 -0.005 25297 239 1 5 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.088 -3.288 25297 240 1 5 . 1 1 11 11 LEU H H 11 7.283 7.283 7.976 -0.693 25297 241 1 5 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.371 -3.071 25297 242 1 5 . 1 1 12 12 GLY H H 12 8.394 8.394 7.987 0.407 25297 243 1 5 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.605 0.228 25297 244 1 5 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.533 -3.633 25297 245 1 5 . 1 1 13 13 TYR H H 13 6.984 6.984 7.707 -0.723 25297 246 1 5 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.487 -0.175 25297 247 1 5 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.857 -1.857 25297 248 1 5 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.641 -0.444 25297 249 1 5 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.304 -0.505 25297 250 1 5 . 1 1 15 15 ALA H H 15 8.566 8.566 9.086 -0.520 25297 251 1 5 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.761 -0.202 25297 252 1 5 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.169 -1.769 25297 253 1 5 . 1 1 16 16 LEU H H 16 8.202 8.202 8.514 -0.312 25297 254 1 5 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.243 -0.007 25297 255 1 5 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.480 -3.580 25297 256 1 5 . 1 1 17 17 ILE H H 17 7.656 7.656 7.952 -0.296 25297 257 1 5 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.829 0.362 25297 258 1 5 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.322 -3.622 25297 259 1 5 . 1 1 18 18 VAL H H 18 8.329 8.329 7.304 1.025 25297 260 1 5 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.993 0.257 25297 261 1 5 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.339 -3.539 25297 262 1 5 . 1 1 19 19 ILE H H 19 8.058 8.058 7.498 0.560 25297 263 1 5 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.931 -0.161 25297 264 1 5 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.396 -1.596 25297 265 1 5 . 1 1 20 20 TYR H H 20 8.154 8.154 6.734 1.420 25297 266 1 6 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.946 -0.209 25297 267 1 6 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.428 -0.828 25297 268 1 6 . 1 1 2 2 LEU H H 2 8.056 8.056 8.673 -0.617 25297 269 1 6 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.362 -3.763 25297 270 1 6 . 1 1 3 3 GLY H H 3 8.323 8.323 7.717 0.606 25297 271 1 6 . 1 1 4 4 SER HA H 4 4.558 4.558 4.611 -0.053 25297 272 1 6 . 1 1 4 4 SER CA C 4 54.500 54.500 57.711 -3.211 25297 273 1 6 . 1 1 4 4 SER H H 4 7.675 7.675 8.459 -0.784 25297 274 1 6 . 1 1 5 5 SER HA H 5 4.558 4.558 4.641 -0.083 25297 275 1 6 . 1 1 5 5 SER CA C 5 55.200 55.200 57.382 -2.182 25297 276 1 6 . 1 1 5 5 SER H H 5 8.171 8.171 8.215 -0.044 25297 277 1 6 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.130 0.239 25297 278 1 6 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.438 -3.838 25297 279 1 6 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.541 -0.008 25297 280 1 6 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.951 -3.551 25297 281 1 6 . 1 1 7 7 TYR H H 7 7.656 7.656 7.794 -0.138 25297 282 1 6 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.029 0.020 25297 283 1 6 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.522 -2.522 25297 284 1 6 . 1 1 8 8 ASN H H 8 8.524 8.524 8.495 0.029 25297 285 1 6 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.652 0.192 25297 286 1 6 . 1 1 9 9 ASP CA C 9 48.500 48.500 56.257 -7.756 25297 287 1 6 . 1 1 9 9 ASP H H 9 8.888 8.888 8.570 0.318 25297 288 1 6 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.203 -0.152 25297 289 1 6 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.675 -1.375 25297 290 1 6 . 1 1 10 10 ILE H H 10 8.230 8.230 7.958 0.272 25297 291 1 6 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.236 0.286 25297 292 1 6 . 1 1 11 11 LEU CA C 11 51.800 51.800 56.225 -4.426 25297 293 1 6 . 1 1 11 11 LEU H H 11 7.283 7.283 7.821 -0.538 25297 294 1 6 . 1 1 12 12 GLY CA C 12 42.300 42.300 44.742 -2.442 25297 295 1 6 . 1 1 12 12 GLY H H 12 8.394 8.394 7.697 0.697 25297 296 1 6 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.560 0.273 25297 297 1 6 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.652 -3.752 25297 298 1 6 . 1 1 13 13 TYR H H 13 6.984 6.984 8.057 -1.073 25297 299 1 6 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.495 -0.183 25297 300 1 6 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.764 -1.764 25297 301 1 6 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.602 -0.405 25297 302 1 6 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.470 -0.670 25297 303 1 6 . 1 1 15 15 ALA H H 15 8.566 8.566 9.140 -0.574 25297 304 1 6 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.857 -0.298 25297 305 1 6 . 1 1 16 16 LEU CA C 16 52.400 52.400 52.897 -0.497 25297 306 1 6 . 1 1 16 16 LEU H H 16 8.202 8.202 8.423 -0.221 25297 307 1 6 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.349 -0.113 25297 308 1 6 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.971 -3.071 25297 309 1 6 . 1 1 17 17 ILE H H 17 7.656 7.656 7.742 -0.086 25297 310 1 6 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.447 -0.256 25297 311 1 6 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.387 -2.687 25297 312 1 6 . 1 1 18 18 VAL H H 18 8.329 8.329 8.174 0.155 25297 313 1 6 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.173 0.077 25297 314 1 6 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.004 -4.204 25297 315 1 6 . 1 1 19 19 ILE H H 19 8.058 8.058 8.594 -0.536 25297 316 1 6 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.159 -0.389 25297 317 1 6 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.436 -0.636 25297 318 1 6 . 1 1 20 20 TYR H H 20 8.154 8.154 7.892 0.262 25297 319 1 7 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.003 -0.266 25297 320 1 7 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.976 -1.376 25297 321 1 7 . 1 1 2 2 LEU H H 2 8.056 8.056 8.541 -0.485 25297 322 1 7 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.339 -2.739 25297 323 1 7 . 1 1 3 3 GLY H H 3 8.323 8.323 7.456 0.867 25297 324 1 7 . 1 1 4 4 SER HA H 4 4.558 4.558 4.510 0.048 25297 325 1 7 . 1 1 4 4 SER CA C 4 54.500 54.500 58.454 -3.954 25297 326 1 7 . 1 1 4 4 SER H H 4 7.675 7.675 8.428 -0.753 25297 327 1 7 . 1 1 5 5 SER HA H 5 4.558 4.558 4.358 0.200 25297 328 1 7 . 1 1 5 5 SER CA C 5 55.200 55.200 58.203 -3.003 25297 329 1 7 . 1 1 5 5 SER H H 5 8.171 8.171 7.809 0.362 25297 330 1 7 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.257 0.112 25297 331 1 7 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.671 -3.071 25297 332 1 7 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.472 0.061 25297 333 1 7 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.593 -4.193 25297 334 1 7 . 1 1 7 7 TYR H H 7 7.656 7.656 7.596 0.060 25297 335 1 7 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.135 -0.086 25297 336 1 7 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.845 -1.845 25297 337 1 7 . 1 1 8 8 ASN H H 8 8.524 8.524 8.416 0.108 25297 338 1 7 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.657 0.187 25297 339 1 7 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.093 -6.593 25297 340 1 7 . 1 1 9 9 ASP H H 9 8.888 8.888 8.385 0.503 25297 341 1 7 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.240 -0.189 25297 342 1 7 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.765 -1.465 25297 343 1 7 . 1 1 10 10 ILE H H 10 8.230 8.230 7.964 0.266 25297 344 1 7 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.546 -0.024 25297 345 1 7 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.046 -3.246 25297 346 1 7 . 1 1 11 11 LEU H H 11 7.283 7.283 7.935 -0.652 25297 347 1 7 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.539 -3.239 25297 348 1 7 . 1 1 12 12 GLY H H 12 8.394 8.394 7.989 0.405 25297 349 1 7 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.612 0.221 25297 350 1 7 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.013 -3.113 25297 351 1 7 . 1 1 13 13 TYR H H 13 6.984 6.984 7.770 -0.786 25297 352 1 7 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.221 0.091 25297 353 1 7 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.936 -1.936 25297 354 1 7 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.540 -0.343 25297 355 1 7 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.650 -0.850 25297 356 1 7 . 1 1 15 15 ALA H H 15 8.566 8.566 8.989 -0.423 25297 357 1 7 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.572 -0.013 25297 358 1 7 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.896 -1.496 25297 359 1 7 . 1 1 16 16 LEU H H 16 8.202 8.202 8.437 -0.235 25297 360 1 7 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.873 0.363 25297 361 1 7 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.689 -3.789 25297 362 1 7 . 1 1 17 17 ILE H H 17 7.656 7.656 7.454 0.202 25297 363 1 7 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.061 0.130 25297 364 1 7 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.108 -4.408 25297 365 1 7 . 1 1 18 18 VAL H H 18 8.329 8.329 7.710 0.619 25297 366 1 7 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.096 0.154 25297 367 1 7 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.732 -3.932 25297 368 1 7 . 1 1 19 19 ILE H H 19 8.058 8.058 7.984 0.074 25297 369 1 7 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.119 -0.349 25297 370 1 7 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.765 -0.965 25297 371 1 7 . 1 1 20 20 TYR H H 20 8.154 8.154 7.370 0.784 25297 372 1 8 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.007 -0.270 25297 373 1 8 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.695 -1.095 25297 374 1 8 . 1 1 2 2 LEU H H 2 8.056 8.056 8.647 -0.591 25297 375 1 8 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.504 -3.904 25297 376 1 8 . 1 1 3 3 GLY H H 3 8.323 8.323 7.846 0.477 25297 377 1 8 . 1 1 4 4 SER HA H 4 4.558 4.558 4.666 -0.108 25297 378 1 8 . 1 1 4 4 SER CA C 4 54.500 54.500 57.794 -3.294 25297 379 1 8 . 1 1 4 4 SER H H 4 7.675 7.675 8.347 -0.672 25297 380 1 8 . 1 1 5 5 SER HA H 5 4.558 4.558 4.540 0.018 25297 381 1 8 . 1 1 5 5 SER CA C 5 55.200 55.200 56.930 -1.730 25297 382 1 8 . 1 1 5 5 SER H H 5 8.171 8.171 8.370 -0.200 25297 383 1 8 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.126 0.243 25297 384 1 8 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.324 -3.724 25297 385 1 8 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.565 -0.032 25297 386 1 8 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.777 -3.377 25297 387 1 8 . 1 1 7 7 TYR H H 7 7.656 7.656 7.859 -0.203 25297 388 1 8 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.201 -0.152 25297 389 1 8 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.366 -2.366 25297 390 1 8 . 1 1 8 8 ASN H H 8 8.524 8.524 8.518 0.006 25297 391 1 8 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.653 0.191 25297 392 1 8 . 1 1 9 9 ASP CA C 9 48.500 48.500 56.096 -7.596 25297 393 1 8 . 1 1 9 9 ASP H H 9 8.888 8.888 8.581 0.307 25297 394 1 8 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.262 -0.211 25297 395 1 8 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.475 -1.175 25297 396 1 8 . 1 1 10 10 ILE H H 10 8.230 8.230 8.153 0.077 25297 397 1 8 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.202 0.320 25297 398 1 8 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.955 -4.155 25297 399 1 8 . 1 1 11 11 LEU H H 11 7.283 7.283 7.831 -0.548 25297 400 1 8 . 1 1 12 12 GLY CA C 12 42.300 42.300 44.749 -2.449 25297 401 1 8 . 1 1 12 12 GLY H H 12 8.394 8.394 7.706 0.688 25297 402 1 8 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.548 0.285 25297 403 1 8 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.211 -3.311 25297 404 1 8 . 1 1 13 13 TYR H H 13 6.984 6.984 8.056 -1.072 25297 405 1 8 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.340 -0.028 25297 406 1 8 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.745 -1.745 25297 407 1 8 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.495 -0.298 25297 408 1 8 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.083 -1.282 25297 409 1 8 . 1 1 15 15 ALA H H 15 8.566 8.566 8.989 -0.423 25297 410 1 8 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.627 -0.068 25297 411 1 8 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.908 -1.508 25297 412 1 8 . 1 1 16 16 LEU H H 16 8.202 8.202 8.615 -0.413 25297 413 1 8 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.965 0.271 25297 414 1 8 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.860 -3.960 25297 415 1 8 . 1 1 17 17 ILE H H 17 7.656 7.656 7.531 0.125 25297 416 1 8 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.038 0.153 25297 417 1 8 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.008 -4.309 25297 418 1 8 . 1 1 18 18 VAL H H 18 8.329 8.329 7.801 0.528 25297 419 1 8 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.937 0.313 25297 420 1 8 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.947 -5.147 25297 421 1 8 . 1 1 19 19 ILE H H 19 8.058 8.058 7.775 0.283 25297 422 1 8 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.119 -0.349 25297 423 1 8 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.981 -1.181 25297 424 1 8 . 1 1 20 20 TYR H H 20 8.154 8.154 6.867 1.287 25297 425 1 9 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.077 -0.340 25297 426 1 9 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.219 -1.619 25297 427 1 9 . 1 1 2 2 LEU H H 2 8.056 8.056 8.888 -0.832 25297 428 1 9 . 1 1 3 3 GLY CA C 3 41.600 41.600 43.989 -2.389 25297 429 1 9 . 1 1 3 3 GLY H H 3 8.323 8.323 7.907 0.416 25297 430 1 9 . 1 1 4 4 SER HA H 4 4.558 4.558 4.444 0.114 25297 431 1 9 . 1 1 4 4 SER CA C 4 54.500 54.500 59.192 -4.692 25297 432 1 9 . 1 1 4 4 SER H H 4 7.675 7.675 8.663 -0.988 25297 433 1 9 . 1 1 5 5 SER HA H 5 4.558 4.558 4.454 0.104 25297 434 1 9 . 1 1 5 5 SER CA C 5 55.200 55.200 57.975 -2.775 25297 435 1 9 . 1 1 5 5 SER H H 5 8.171 8.171 7.677 0.494 25297 436 1 9 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.409 -0.040 25297 437 1 9 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.804 -3.204 25297 438 1 9 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.596 -0.063 25297 439 1 9 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.399 -3.999 25297 440 1 9 . 1 1 7 7 TYR H H 7 7.656 7.656 7.621 0.035 25297 441 1 9 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.199 -0.150 25297 442 1 9 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.061 -2.061 25297 443 1 9 . 1 1 8 8 ASN H H 8 8.524 8.524 8.476 0.048 25297 444 1 9 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.682 0.162 25297 445 1 9 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.542 -7.042 25297 446 1 9 . 1 1 9 9 ASP H H 9 8.888 8.888 8.787 0.101 25297 447 1 9 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.383 -0.332 25297 448 1 9 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.726 -1.426 25297 449 1 9 . 1 1 10 10 ILE H H 10 8.230 8.230 7.751 0.479 25297 450 1 9 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.634 -0.112 25297 451 1 9 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.794 -2.994 25297 452 1 9 . 1 1 11 11 LEU H H 11 7.283 7.283 7.931 -0.648 25297 453 1 9 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.352 -3.052 25297 454 1 9 . 1 1 12 12 GLY H H 12 8.394 8.394 7.921 0.473 25297 455 1 9 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.649 0.184 25297 456 1 9 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.521 -3.621 25297 457 1 9 . 1 1 13 13 TYR H H 13 6.984 6.984 7.723 -0.739 25297 458 1 9 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.353 -0.041 25297 459 1 9 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.954 -1.954 25297 460 1 9 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.760 -0.563 25297 461 1 9 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.072 -0.272 25297 462 1 9 . 1 1 15 15 ALA H H 15 8.566 8.566 8.932 -0.366 25297 463 1 9 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.707 -0.148 25297 464 1 9 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.417 -2.017 25297 465 1 9 . 1 1 16 16 LEU H H 16 8.202 8.202 8.257 -0.055 25297 466 1 9 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.176 0.060 25297 467 1 9 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.186 -3.286 25297 468 1 9 . 1 1 17 17 ILE H H 17 7.656 7.656 7.409 0.247 25297 469 1 9 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.129 0.062 25297 470 1 9 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.279 -3.579 25297 471 1 9 . 1 1 18 18 VAL H H 18 8.329 8.329 7.256 1.073 25297 472 1 9 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.012 0.238 25297 473 1 9 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.554 -3.754 25297 474 1 9 . 1 1 19 19 ILE H H 19 8.058 8.058 8.044 0.014 25297 475 1 9 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.501 0.269 25297 476 1 9 . 1 1 20 20 TYR CA C 20 52.800 52.800 55.680 -2.880 25297 477 1 9 . 1 1 20 20 TYR H H 20 8.154 8.154 7.742 0.412 25297 478 1 10 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.117 -0.380 25297 479 1 10 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.019 -1.419 25297 480 1 10 . 1 1 2 2 LEU H H 2 8.056 8.056 8.751 -0.695 25297 481 1 10 . 1 1 3 3 GLY CA C 3 41.600 41.600 45.367 -3.767 25297 482 1 10 . 1 1 3 3 GLY H H 3 8.323 8.323 7.507 0.816 25297 483 1 10 . 1 1 4 4 SER HA H 4 4.558 4.558 4.660 -0.102 25297 484 1 10 . 1 1 4 4 SER CA C 4 54.500 54.500 57.761 -3.261 25297 485 1 10 . 1 1 4 4 SER H H 4 7.675 7.675 8.375 -0.700 25297 486 1 10 . 1 1 5 5 SER HA H 5 4.558 4.558 4.621 -0.063 25297 487 1 10 . 1 1 5 5 SER CA C 5 55.200 55.200 57.050 -1.850 25297 488 1 10 . 1 1 5 5 SER H H 5 8.171 8.171 8.299 -0.128 25297 489 1 10 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.151 0.218 25297 490 1 10 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.358 -3.758 25297 491 1 10 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.540 -0.007 25297 492 1 10 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.302 -3.902 25297 493 1 10 . 1 1 7 7 TYR H H 7 7.656 7.656 7.671 -0.015 25297 494 1 10 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.354 -0.305 25297 495 1 10 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.345 -2.345 25297 496 1 10 . 1 1 8 8 ASN H H 8 8.524 8.524 8.475 0.049 25297 497 1 10 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.702 0.142 25297 498 1 10 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.225 -6.725 25297 499 1 10 . 1 1 9 9 ASP H H 9 8.888 8.888 8.469 0.419 25297 500 1 10 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.171 -0.120 25297 501 1 10 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.761 -1.461 25297 502 1 10 . 1 1 10 10 ILE H H 10 8.230 8.230 7.895 0.335 25297 503 1 10 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.481 0.041 25297 504 1 10 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.993 -3.193 25297 505 1 10 . 1 1 11 11 LEU H H 11 7.283 7.283 7.899 -0.616 25297 506 1 10 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.415 -3.115 25297 507 1 10 . 1 1 12 12 GLY H H 12 8.394 8.394 7.933 0.461 25297 508 1 10 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.617 0.216 25297 509 1 10 . 1 1 13 13 TYR CA C 13 52.900 52.900 55.745 -2.845 25297 510 1 10 . 1 1 13 13 TYR H H 13 6.984 6.984 7.719 -0.735 25297 511 1 10 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.370 -0.058 25297 512 1 10 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.683 -1.683 25297 513 1 10 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.603 -0.406 25297 514 1 10 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.401 -0.601 25297 515 1 10 . 1 1 15 15 ALA H H 15 8.566 8.566 8.948 -0.383 25297 516 1 10 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.735 -0.176 25297 517 1 10 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.070 -1.670 25297 518 1 10 . 1 1 16 16 LEU H H 16 8.202 8.202 8.642 -0.440 25297 519 1 10 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.252 -0.016 25297 520 1 10 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.834 -2.934 25297 521 1 10 . 1 1 17 17 ILE H H 17 7.656 7.656 7.990 -0.334 25297 522 1 10 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.998 0.193 25297 523 1 10 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.286 -2.586 25297 524 1 10 . 1 1 18 18 VAL H H 18 8.329 8.329 7.331 0.998 25297 525 1 10 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.043 0.207 25297 526 1 10 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.707 -3.907 25297 527 1 10 . 1 1 19 19 ILE H H 19 8.058 8.058 7.553 0.505 25297 528 1 10 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.717 0.053 25297 529 1 10 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.273 -1.473 25297 530 1 10 . 1 1 20 20 TYR H H 20 8.154 8.154 6.706 1.448 25297 531 1 11 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.989 -0.252 25297 532 1 11 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.795 -1.195 25297 533 1 11 . 1 1 2 2 LEU H H 2 8.056 8.056 8.588 -0.532 25297 534 1 11 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.313 -2.713 25297 535 1 11 . 1 1 3 3 GLY H H 3 8.323 8.323 7.476 0.847 25297 536 1 11 . 1 1 4 4 SER HA H 4 4.558 4.558 4.602 -0.044 25297 537 1 11 . 1 1 4 4 SER CA C 4 54.500 54.500 58.294 -3.794 25297 538 1 11 . 1 1 4 4 SER H H 4 7.675 7.675 8.402 -0.727 25297 539 1 11 . 1 1 5 5 SER HA H 5 4.558 4.558 4.599 -0.041 25297 540 1 11 . 1 1 5 5 SER CA C 5 55.200 55.200 57.218 -2.018 25297 541 1 11 . 1 1 5 5 SER H H 5 8.171 8.171 8.159 0.012 25297 542 1 11 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.288 0.081 25297 543 1 11 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.580 -2.980 25297 544 1 11 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.519 0.014 25297 545 1 11 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.807 -4.407 25297 546 1 11 . 1 1 7 7 TYR H H 7 7.656 7.656 7.868 -0.212 25297 547 1 11 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.135 -0.086 25297 548 1 11 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.221 -2.221 25297 549 1 11 . 1 1 8 8 ASN H H 8 8.524 8.524 8.546 -0.022 25297 550 1 11 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.698 0.146 25297 551 1 11 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.211 -6.711 25297 552 1 11 . 1 1 9 9 ASP H H 9 8.888 8.888 8.482 0.406 25297 553 1 11 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.238 -0.187 25297 554 1 11 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.753 -1.453 25297 555 1 11 . 1 1 10 10 ILE H H 10 8.230 8.230 7.946 0.284 25297 556 1 11 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.557 -0.035 25297 557 1 11 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.998 -3.198 25297 558 1 11 . 1 1 11 11 LEU H H 11 7.283 7.283 7.939 -0.656 25297 559 1 11 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.525 -3.225 25297 560 1 11 . 1 1 12 12 GLY H H 12 8.394 8.394 7.862 0.532 25297 561 1 11 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.490 0.343 25297 562 1 11 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.463 -3.563 25297 563 1 11 . 1 1 13 13 TYR H H 13 6.984 6.984 7.897 -0.913 25297 564 1 11 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.453 -0.141 25297 565 1 11 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.793 -1.793 25297 566 1 11 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.650 -0.453 25297 567 1 11 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.211 -0.411 25297 568 1 11 . 1 1 15 15 ALA H H 15 8.566 8.566 9.083 -0.517 25297 569 1 11 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.626 -0.067 25297 570 1 11 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.885 -1.485 25297 571 1 11 . 1 1 16 16 LEU H H 16 8.202 8.202 8.520 -0.318 25297 572 1 11 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.130 0.106 25297 573 1 11 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.814 -3.914 25297 574 1 11 . 1 1 17 17 ILE H H 17 7.656 7.656 7.761 -0.105 25297 575 1 11 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.509 -0.318 25297 576 1 11 . 1 1 18 18 VAL CA C 18 58.700 58.700 60.326 -1.626 25297 577 1 11 . 1 1 18 18 VAL H H 18 8.329 8.329 7.984 0.345 25297 578 1 11 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.131 0.119 25297 579 1 11 . 1 1 19 19 ILE CA C 19 57.800 57.800 63.235 -5.435 25297 580 1 11 . 1 1 19 19 ILE H H 19 8.058 8.058 8.702 -0.644 25297 581 1 11 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.234 -0.464 25297 582 1 11 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.492 -0.692 25297 583 1 11 . 1 1 20 20 TYR H H 20 8.154 8.154 8.062 0.092 25297 584 1 12 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.085 -0.348 25297 585 1 12 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.144 -1.544 25297 586 1 12 . 1 1 2 2 LEU H H 2 8.056 8.056 8.601 -0.545 25297 587 1 12 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.390 -2.790 25297 588 1 12 . 1 1 3 3 GLY H H 3 8.323 8.323 7.519 0.804 25297 589 1 12 . 1 1 4 4 SER HA H 4 4.558 4.558 4.567 -0.009 25297 590 1 12 . 1 1 4 4 SER CA C 4 54.500 54.500 58.209 -3.709 25297 591 1 12 . 1 1 4 4 SER H H 4 7.675 7.675 8.418 -0.743 25297 592 1 12 . 1 1 5 5 SER HA H 5 4.558 4.558 4.752 -0.194 25297 593 1 12 . 1 1 5 5 SER CA C 5 55.200 55.200 56.455 -1.254 25297 594 1 12 . 1 1 5 5 SER H H 5 8.171 8.171 8.091 0.080 25297 595 1 12 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.365 0.004 25297 596 1 12 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.634 -3.034 25297 597 1 12 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.639 -0.106 25297 598 1 12 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.312 -3.912 25297 599 1 12 . 1 1 7 7 TYR H H 7 7.656 7.656 7.600 0.056 25297 600 1 12 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.412 -0.363 25297 601 1 12 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.327 -2.327 25297 602 1 12 . 1 1 8 8 ASN H H 8 8.524 8.524 8.578 -0.054 25297 603 1 12 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.802 0.042 25297 604 1 12 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.947 -7.447 25297 605 1 12 . 1 1 9 9 ASP H H 9 8.888 8.888 8.553 0.335 25297 606 1 12 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.363 -0.312 25297 607 1 12 . 1 1 10 10 ILE CA C 10 60.300 60.300 62.086 -1.786 25297 608 1 12 . 1 1 10 10 ILE H H 10 8.230 8.230 7.598 0.632 25297 609 1 12 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.558 -0.036 25297 610 1 12 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.156 -3.356 25297 611 1 12 . 1 1 11 11 LEU H H 11 7.283 7.283 8.119 -0.836 25297 612 1 12 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.460 -3.160 25297 613 1 12 . 1 1 12 12 GLY H H 12 8.394 8.394 7.790 0.604 25297 614 1 12 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.553 0.280 25297 615 1 12 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.243 -3.343 25297 616 1 12 . 1 1 13 13 TYR H H 13 6.984 6.984 7.964 -0.980 25297 617 1 12 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.504 -0.192 25297 618 1 12 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.281 -1.281 25297 619 1 12 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.695 -0.498 25297 620 1 12 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.170 -0.370 25297 621 1 12 . 1 1 15 15 ALA H H 15 8.566 8.566 9.096 -0.530 25297 622 1 12 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.696 -0.137 25297 623 1 12 . 1 1 16 16 LEU CA C 16 52.400 52.400 55.298 -2.898 25297 624 1 12 . 1 1 16 16 LEU H H 16 8.202 8.202 8.661 -0.459 25297 625 1 12 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.203 0.033 25297 626 1 12 . 1 1 17 17 ILE CA C 17 57.900 57.900 60.976 -3.076 25297 627 1 12 . 1 1 17 17 ILE H H 17 7.656 7.656 7.859 -0.203 25297 628 1 12 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.933 0.258 25297 629 1 12 . 1 1 18 18 VAL CA C 18 58.700 58.700 63.687 -4.987 25297 630 1 12 . 1 1 18 18 VAL H H 18 8.329 8.329 7.445 0.884 25297 631 1 12 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.105 0.145 25297 632 1 12 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.635 -3.835 25297 633 1 12 . 1 1 19 19 ILE H H 19 8.058 8.058 7.977 0.081 25297 634 1 12 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.303 0.467 25297 635 1 12 . 1 1 20 20 TYR CA C 20 52.800 52.800 56.872 -4.072 25297 636 1 12 . 1 1 20 20 TYR H H 20 8.154 8.154 7.990 0.164 25297 637 1 13 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.075 -0.338 25297 638 1 13 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.325 -1.725 25297 639 1 13 . 1 1 2 2 LEU H H 2 8.056 8.056 8.699 -0.643 25297 640 1 13 . 1 1 3 3 GLY CA C 3 41.600 41.600 43.958 -2.358 25297 641 1 13 . 1 1 3 3 GLY H H 3 8.323 8.323 8.033 0.290 25297 642 1 13 . 1 1 4 4 SER HA H 4 4.558 4.558 4.611 -0.053 25297 643 1 13 . 1 1 4 4 SER CA C 4 54.500 54.500 58.909 -4.409 25297 644 1 13 . 1 1 4 4 SER H H 4 7.675 7.675 8.603 -0.928 25297 645 1 13 . 1 1 5 5 SER HA H 5 4.558 4.558 4.591 -0.033 25297 646 1 13 . 1 1 5 5 SER CA C 5 55.200 55.200 57.084 -1.884 25297 647 1 13 . 1 1 5 5 SER H H 5 8.171 8.171 7.975 0.196 25297 648 1 13 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.416 -0.047 25297 649 1 13 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.724 -3.124 25297 650 1 13 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.591 -0.058 25297 651 1 13 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.365 -3.965 25297 652 1 13 . 1 1 7 7 TYR H H 7 7.656 7.656 7.602 0.054 25297 653 1 13 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.187 -0.138 25297 654 1 13 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.055 -2.055 25297 655 1 13 . 1 1 8 8 ASN H H 8 8.524 8.524 8.483 0.041 25297 656 1 13 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.698 0.146 25297 657 1 13 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.304 -6.804 25297 658 1 13 . 1 1 9 9 ASP H H 9 8.888 8.888 8.701 0.187 25297 659 1 13 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.247 -0.196 25297 660 1 13 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.793 -1.493 25297 661 1 13 . 1 1 10 10 ILE H H 10 8.230 8.230 7.925 0.305 25297 662 1 13 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.496 0.026 25297 663 1 13 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.999 -3.199 25297 664 1 13 . 1 1 11 11 LEU H H 11 7.283 7.283 7.978 -0.695 25297 665 1 13 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.321 -3.021 25297 666 1 13 . 1 1 12 12 GLY H H 12 8.394 8.394 8.013 0.381 25297 667 1 13 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.619 0.214 25297 668 1 13 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.521 -3.621 25297 669 1 13 . 1 1 13 13 TYR H H 13 6.984 6.984 7.707 -0.723 25297 670 1 13 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.428 -0.116 25297 671 1 13 . 1 1 14 14 PRO CA C 14 62.000 62.000 64.061 -2.061 25297 672 1 13 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.722 -0.525 25297 673 1 13 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.127 -0.327 25297 674 1 13 . 1 1 15 15 ALA H H 15 8.566 8.566 9.087 -0.521 25297 675 1 13 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.740 -0.181 25297 676 1 13 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.436 -2.036 25297 677 1 13 . 1 1 16 16 LEU H H 16 8.202 8.202 8.615 -0.413 25297 678 1 13 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.143 0.093 25297 679 1 13 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.309 -3.409 25297 680 1 13 . 1 1 17 17 ILE H H 17 7.656 7.656 7.634 0.022 25297 681 1 13 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.755 0.436 25297 682 1 13 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.796 -4.096 25297 683 1 13 . 1 1 18 18 VAL H H 18 8.329 8.329 7.442 0.887 25297 684 1 13 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.961 0.289 25297 685 1 13 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.958 -4.158 25297 686 1 13 . 1 1 19 19 ILE H H 19 8.058 8.058 7.620 0.438 25297 687 1 13 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.705 0.065 25297 688 1 13 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.245 -1.445 25297 689 1 13 . 1 1 20 20 TYR H H 20 8.154 8.154 6.850 1.304 25297 690 1 14 . 1 1 2 2 LEU HA H 2 3.737 3.737 4.114 -0.377 25297 691 1 14 . 1 1 2 2 LEU CA C 2 54.600 54.600 56.030 -1.430 25297 692 1 14 . 1 1 2 2 LEU H H 2 8.056 8.056 8.689 -0.633 25297 693 1 14 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.303 -2.704 25297 694 1 14 . 1 1 3 3 GLY H H 3 8.323 8.323 7.917 0.406 25297 695 1 14 . 1 1 4 4 SER HA H 4 4.558 4.558 4.555 0.003 25297 696 1 14 . 1 1 4 4 SER CA C 4 54.500 54.500 58.641 -4.141 25297 697 1 14 . 1 1 4 4 SER H H 4 7.675 7.675 8.476 -0.801 25297 698 1 14 . 1 1 5 5 SER HA H 5 4.558 4.558 4.752 -0.194 25297 699 1 14 . 1 1 5 5 SER CA C 5 55.200 55.200 56.268 -1.068 25297 700 1 14 . 1 1 5 5 SER H H 5 8.171 8.171 8.124 0.047 25297 701 1 14 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.309 0.060 25297 702 1 14 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.550 -2.950 25297 703 1 14 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.511 0.022 25297 704 1 14 . 1 1 7 7 TYR CA C 7 53.400 53.400 57.878 -4.478 25297 705 1 14 . 1 1 7 7 TYR H H 7 7.656 7.656 7.961 -0.305 25297 706 1 14 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.334 -0.285 25297 707 1 14 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.078 -2.078 25297 708 1 14 . 1 1 8 8 ASN H H 8 8.524 8.524 8.513 0.011 25297 709 1 14 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.716 0.128 25297 710 1 14 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.364 -6.864 25297 711 1 14 . 1 1 9 9 ASP H H 9 8.888 8.888 8.497 0.391 25297 712 1 14 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.227 -0.176 25297 713 1 14 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.717 -1.417 25297 714 1 14 . 1 1 10 10 ILE H H 10 8.230 8.230 7.936 0.294 25297 715 1 14 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.494 0.028 25297 716 1 14 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.964 -3.163 25297 717 1 14 . 1 1 11 11 LEU H H 11 7.283 7.283 7.920 -0.637 25297 718 1 14 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.486 -3.186 25297 719 1 14 . 1 1 12 12 GLY H H 12 8.394 8.394 7.903 0.491 25297 720 1 14 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.511 0.322 25297 721 1 14 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.264 -3.364 25297 722 1 14 . 1 1 13 13 TYR H H 13 6.984 6.984 7.857 -0.873 25297 723 1 14 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.658 -0.346 25297 724 1 14 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.294 -1.294 25297 725 1 14 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.717 -0.520 25297 726 1 14 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.166 -0.366 25297 727 1 14 . 1 1 15 15 ALA H H 15 8.566 8.566 9.074 -0.508 25297 728 1 14 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.673 -0.114 25297 729 1 14 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.149 -1.749 25297 730 1 14 . 1 1 16 16 LEU H H 16 8.202 8.202 8.589 -0.387 25297 731 1 14 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.387 -0.151 25297 732 1 14 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.257 -3.357 25297 733 1 14 . 1 1 17 17 ILE H H 17 7.656 7.656 7.536 0.120 25297 734 1 14 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.443 -0.252 25297 735 1 14 . 1 1 18 18 VAL CA C 18 58.700 58.700 61.220 -2.520 25297 736 1 14 . 1 1 18 18 VAL H H 18 8.329 8.329 8.054 0.275 25297 737 1 14 . 1 1 19 19 ILE HA H 19 4.250 4.250 3.964 0.286 25297 738 1 14 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.837 -5.037 25297 739 1 14 . 1 1 19 19 ILE H H 19 8.058 8.058 8.225 -0.167 25297 740 1 14 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.119 -0.349 25297 741 1 14 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.195 -0.395 25297 742 1 14 . 1 1 20 20 TYR H H 20 8.154 8.154 7.642 0.512 25297 743 1 15 . 1 1 2 2 LEU HA H 2 3.737 3.737 3.967 -0.230 25297 744 1 15 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.739 -1.139 25297 745 1 15 . 1 1 2 2 LEU H H 2 8.056 8.056 8.575 -0.519 25297 746 1 15 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.444 -2.844 25297 747 1 15 . 1 1 3 3 GLY H H 3 8.323 8.323 7.462 0.861 25297 748 1 15 . 1 1 4 4 SER HA H 4 4.558 4.558 4.570 -0.012 25297 749 1 15 . 1 1 4 4 SER CA C 4 54.500 54.500 58.007 -3.507 25297 750 1 15 . 1 1 4 4 SER H H 4 7.675 7.675 8.378 -0.703 25297 751 1 15 . 1 1 5 5 SER HA H 5 4.558 4.558 4.339 0.219 25297 752 1 15 . 1 1 5 5 SER CA C 5 55.200 55.200 56.550 -1.350 25297 753 1 15 . 1 1 5 5 SER H H 5 8.171 8.171 7.806 0.365 25297 754 1 15 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.193 0.176 25297 755 1 15 . 1 1 6 6 PRO CA C 6 60.600 60.600 64.274 -3.674 25297 756 1 15 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.534 -0.001 25297 757 1 15 . 1 1 7 7 TYR CA C 7 53.400 53.400 54.722 -1.322 25297 758 1 15 . 1 1 7 7 TYR H H 7 7.656 7.656 7.037 0.619 25297 759 1 15 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.134 -0.085 25297 760 1 15 . 1 1 8 8 ASN CA C 8 50.000 50.000 51.644 -1.644 25297 761 1 15 . 1 1 8 8 ASN H H 8 8.524 8.524 8.429 0.095 25297 762 1 15 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.643 0.201 25297 763 1 15 . 1 1 9 9 ASP CA C 9 48.500 48.500 56.057 -7.557 25297 764 1 15 . 1 1 9 9 ASP H H 9 8.888 8.888 8.667 0.221 25297 765 1 15 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.418 -0.367 25297 766 1 15 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.591 -1.291 25297 767 1 15 . 1 1 10 10 ILE H H 10 8.230 8.230 7.726 0.504 25297 768 1 15 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.608 -0.086 25297 769 1 15 . 1 1 11 11 LEU CA C 11 51.800 51.800 54.947 -3.147 25297 770 1 15 . 1 1 11 11 LEU H H 11 7.283 7.283 8.036 -0.753 25297 771 1 15 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.336 -3.036 25297 772 1 15 . 1 1 12 12 GLY H H 12 8.394 8.394 8.108 0.286 25297 773 1 15 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.625 0.208 25297 774 1 15 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.046 -3.146 25297 775 1 15 . 1 1 13 13 TYR H H 13 6.984 6.984 7.809 -0.825 25297 776 1 15 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.312 0.000 25297 777 1 15 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.681 -1.681 25297 778 1 15 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.543 -0.346 25297 779 1 15 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.258 -0.458 25297 780 1 15 . 1 1 15 15 ALA H H 15 8.566 8.566 8.894 -0.328 25297 781 1 15 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.623 -0.064 25297 782 1 15 . 1 1 16 16 LEU CA C 16 52.400 52.400 53.850 -1.450 25297 783 1 15 . 1 1 16 16 LEU H H 16 8.202 8.202 8.528 -0.326 25297 784 1 15 . 1 1 17 17 ILE HA H 17 4.236 4.236 3.968 0.268 25297 785 1 15 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.374 -3.474 25297 786 1 15 . 1 1 17 17 ILE H H 17 7.656 7.656 7.726 -0.070 25297 787 1 15 . 1 1 18 18 VAL HA H 18 4.191 4.191 3.780 0.411 25297 788 1 15 . 1 1 18 18 VAL CA C 18 58.700 58.700 64.493 -5.793 25297 789 1 15 . 1 1 18 18 VAL H H 18 8.329 8.329 7.720 0.609 25297 790 1 15 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.057 0.193 25297 791 1 15 . 1 1 19 19 ILE CA C 19 57.800 57.800 61.672 -3.873 25297 792 1 15 . 1 1 19 19 ILE H H 19 8.058 8.058 7.442 0.616 25297 793 1 15 . 1 1 20 20 TYR HA H 20 4.770 4.770 5.076 -0.306 25297 794 1 15 . 1 1 20 20 TYR CA C 20 52.800 52.800 53.744 -0.944 25297 795 1 15 . 1 1 20 20 TYR H H 20 8.154 8.154 7.358 0.796 25297 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 25297 2 1 1 "Average Difference" HA 21 0.285 0.055 0.287 25297 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25297 4 1 1 "Average Difference" CA 19 3.075 2.755 1.404 25297 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25297 6 1 1 "Average Difference" HN 17 0.538 -0.004 0.554 25297 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25297 8 1 2 "Average Difference" HA 21 0.332 -0.029 0.339 25297 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25297 10 1 2 "Average Difference" CA 19 3.648 3.263 1.676 25297 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25297 12 1 2 "Average Difference" HN 17 0.553 -0.052 0.568 25297 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25297 14 1 3 "Average Difference" HA 21 0.309 0.003 0.317 25297 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25297 16 1 3 "Average Difference" CA 19 3.297 3.014 1.375 25297 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25297 18 1 3 "Average Difference" HN 17 0.524 0.033 0.539 25297 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25297 20 1 4 "Average Difference" HA 21 0.294 -0.047 0.298 25297 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25297 22 1 4 "Average Difference" CA 19 3.261 2.913 1.506 25297 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25297 24 1 4 "Average Difference" HN 17 0.583 -0.129 0.586 25297 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25297 26 1 5 "Average Difference" HA 21 0.323 0.042 0.329 25297 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25297 28 1 5 "Average Difference" CA 19 3.196 2.873 1.437 25297 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25297 30 1 5 "Average Difference" HN 17 0.611 -0.013 0.630 25297 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25297 32 1 6 "Average Difference" HA 21 0.321 0.089 0.316 25297 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25297 34 1 6 "Average Difference" CA 19 3.275 2.799 1.748 25297 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25297 36 1 6 "Average Difference" HN 17 0.500 0.134 0.497 25297 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25297 38 1 7 "Average Difference" HA 21 0.293 -0.022 0.299 25297 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25297 40 1 7 "Average Difference" CA 19 3.226 2.906 1.438 25297 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25297 42 1 7 "Average Difference" HN 17 0.515 -0.054 0.528 25297 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25297 44 1 8 "Average Difference" HA 21 0.322 0.028 0.329 25297 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25297 46 1 8 "Average Difference" CA 19 3.430 3.016 1.678 25297 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25297 48 1 8 "Average Difference" HN 17 0.569 0.020 0.587 25297 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25297 50 1 9 "Average Difference" HA 21 0.297 0.015 0.304 25297 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25297 52 1 9 "Average Difference" CA 19 3.289 2.980 1.430 25297 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25297 54 1 9 "Average Difference" HN 17 0.544 -0.010 0.561 25297 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25297 56 1 10 "Average Difference" HA 21 0.299 0.047 0.303 25297 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25297 58 1 10 "Average Difference" CA 19 3.071 2.763 1.377 25297 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25297 60 1 10 "Average Difference" HN 17 0.636 -0.058 0.653 25297 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25297 62 1 11 "Average Difference" HA 21 0.303 0.053 0.305 25297 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25297 64 1 11 "Average Difference" CA 19 3.200 2.781 1.626 25297 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25297 66 1 11 "Average Difference" HN 17 0.502 0.125 0.501 25297 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25297 68 1 12 "Average Difference" HA 21 0.311 0.039 0.316 25297 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25297 70 1 12 "Average Difference" CA 19 3.420 3.062 1.566 25297 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25297 72 1 12 "Average Difference" HN 17 0.563 0.042 0.579 25297 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25297 74 1 13 "Average Difference" HA 21 0.300 0.004 0.308 25297 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25297 76 1 13 "Average Difference" CA 19 3.232 2.905 1.457 25297 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25297 78 1 13 "Average Difference" HN 17 0.584 -0.011 0.602 25297 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25297 80 1 14 "Average Difference" HA 21 0.318 0.087 0.313 25297 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25297 82 1 14 "Average Difference" CA 19 3.157 2.714 1.657 25297 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25297 84 1 14 "Average Difference" HN 17 0.469 0.104 0.471 25297 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25297 86 1 15 "Average Difference" HA 21 0.305 -0.019 0.312 25297 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25297 88 1 15 "Average Difference" CA 19 3.211 2.701 1.783 25297 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25297 90 1 15 "Average Difference" HN 17 0.556 -0.085 0.567 25297 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 25297 _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 3.737 3.737 4.027 -0.290 25297 2 1 . 1 1 2 2 LEU CA C 2 54.600 54.600 55.902 -1.302 25297 3 1 . 1 1 2 2 LEU H H 2 8.056 8.056 8.643 -0.587 25297 4 1 . 1 1 3 3 GLY CA C 3 41.600 41.600 44.652 -3.052 25297 5 1 . 1 1 3 3 GLY H H 3 8.323 8.323 7.655 0.668 25297 6 1 . 1 1 4 4 SER HA H 4 4.558 4.558 4.571 -0.013 25297 7 1 . 1 1 4 4 SER CA C 4 54.500 54.500 58.363 -3.863 25297 8 1 . 1 1 4 4 SER H H 4 7.675 7.675 8.435 -0.760 25297 9 1 . 1 1 5 5 SER HA H 5 4.558 4.558 4.533 0.025 25297 10 1 . 1 1 5 5 SER CA C 5 55.200 55.200 57.211 -2.011 25297 11 1 . 1 1 5 5 SER H H 5 8.171 8.171 7.991 0.180 25297 12 1 . 1 1 6 6 PRO HA H 6 4.369 4.369 4.259 0.110 25297 13 1 . 1 1 6 6 PRO CA C 6 60.600 60.600 63.939 -3.339 25297 14 1 . 1 1 7 7 TYR HA H 7 4.533 4.533 4.550 -0.017 25297 15 1 . 1 1 7 7 TYR CA C 7 53.400 53.400 56.963 -3.563 25297 16 1 . 1 1 7 7 TYR H H 7 7.656 7.656 7.602 0.054 25297 17 1 . 1 1 8 8 ASN HA H 8 5.049 5.049 5.212 -0.163 25297 18 1 . 1 1 8 8 ASN CA C 8 50.000 50.000 52.132 -2.132 25297 19 1 . 1 1 8 8 ASN H H 8 8.524 8.524 8.489 0.035 25297 20 1 . 1 1 9 9 ASP HA H 9 4.844 4.844 4.694 0.150 25297 21 1 . 1 1 9 9 ASP CA C 9 48.500 48.500 55.475 -6.975 25297 22 1 . 1 1 9 9 ASP H H 9 8.888 8.888 8.544 0.344 25297 23 1 . 1 1 10 10 ILE HA H 10 4.051 4.051 4.270 -0.219 25297 24 1 . 1 1 10 10 ILE CA C 10 60.300 60.300 61.710 -1.410 25297 25 1 . 1 1 10 10 ILE H H 10 8.230 8.230 7.886 0.344 25297 26 1 . 1 1 11 11 LEU HA H 11 4.522 4.522 4.496 0.026 25297 27 1 . 1 1 11 11 LEU CA C 11 51.800 51.800 55.123 -3.323 25297 28 1 . 1 1 11 11 LEU H H 11 7.283 7.283 7.954 -0.671 25297 29 1 . 1 1 12 12 GLY CA C 12 42.300 42.300 45.343 -3.043 25297 30 1 . 1 1 12 12 GLY H H 12 8.394 8.394 7.899 0.495 25297 31 1 . 1 1 13 13 TYR HA H 13 4.833 4.833 4.576 0.257 25297 32 1 . 1 1 13 13 TYR CA C 13 52.900 52.900 56.248 -3.348 25297 33 1 . 1 1 13 13 TYR H H 13 6.984 6.984 7.843 -0.859 25297 34 1 . 1 1 14 14 PRO HA H 14 4.312 4.312 4.404 -0.092 25297 35 1 . 1 1 14 14 PRO CA C 14 62.000 62.000 63.717 -1.717 25297 36 1 . 1 1 15 15 ALA HA H 15 4.197 4.197 4.623 -0.426 25297 37 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 50.417 -0.617 25297 38 1 . 1 1 15 15 ALA H H 15 8.566 8.566 9.028 -0.462 25297 39 1 . 1 1 16 16 LEU HA H 16 4.559 4.559 4.696 -0.137 25297 40 1 . 1 1 16 16 LEU CA C 16 52.400 52.400 54.142 -1.742 25297 41 1 . 1 1 16 16 LEU H H 16 8.202 8.202 8.529 -0.327 25297 42 1 . 1 1 17 17 ILE HA H 17 4.236 4.236 4.137 0.099 25297 43 1 . 1 1 17 17 ILE CA C 17 57.900 57.900 61.563 -3.663 25297 44 1 . 1 1 17 17 ILE H H 17 7.656 7.656 7.700 -0.044 25297 45 1 . 1 1 18 18 VAL HA H 18 4.191 4.191 4.065 0.126 25297 46 1 . 1 1 18 18 VAL CA C 18 58.700 58.700 62.326 -3.626 25297 47 1 . 1 1 18 18 VAL H H 18 8.329 8.329 7.726 0.603 25297 48 1 . 1 1 19 19 ILE HA H 19 4.250 4.250 4.057 0.193 25297 49 1 . 1 1 19 19 ILE CA C 19 57.800 57.800 62.021 -4.221 25297 50 1 . 1 1 19 19 ILE H H 19 8.058 8.058 7.876 0.182 25297 51 1 . 1 1 20 20 TYR HA H 20 4.770 4.770 4.832 -0.062 25297 52 1 . 1 1 20 20 TYR CA C 20 52.800 52.800 54.883 -2.083 25297 53 1 . 1 1 20 20 TYR H H 20 8.154 8.154 7.396 0.758 25297 stop_ save_