data_nef_c36011_5gjl save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5GJL stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 ASP middle . . 4 A 4 ASP middle . . 5 A 5 ASP middle . . 6 A 6 SER middle . . 7 A 7 ALA middle . . 8 A 8 VAL middle . . 9 A 9 ASN middle . . 10 A 10 ASN middle . . 11 A 11 ASN middle . . 12 A 12 GLY middle . false 13 A 13 SER middle . . 14 A 14 SER middle . . 15 A 15 PRO middle . false 16 A 16 VAL middle . . 17 A 17 ASN middle . . 18 A 18 ASN middle . . 19 A 19 GLN middle . . 20 A 20 GLY middle . false 21 A 21 GLU middle . . 22 A 22 HIS middle . . 23 A 23 ILE middle . . 24 A 24 GLN middle . . 25 A 25 VAL middle . . 26 A 26 LYS middle . . 27 A 27 VAL middle . . 28 A 28 ARG middle . . 29 A 29 SER middle . . 30 A 30 PRO middle . false 31 A 31 ASP middle . . 32 A 32 GLY middle . false 33 A 33 ALA middle . . 34 A 34 GLU middle . . 35 A 35 VAL middle . . 36 A 36 PHE middle . . 37 A 37 PHE middle . . 38 A 38 LYS middle . . 39 A 39 ILE middle . . 40 A 40 LYS middle . . 41 A 41 ARG middle . . 42 A 42 LYS middle . . 43 A 43 THR middle . . 44 A 44 LYS middle . . 45 A 45 LEU middle . . 46 A 46 GLU middle . . 47 A 47 LYS middle . . 48 A 48 LEU middle . . 49 A 49 MET middle . . 50 A 50 GLU middle . . 51 A 51 VAL middle . . 52 A 52 TYR middle . . 53 A 53 CYS middle . . 54 A 54 ASN middle . . 55 A 55 ARG middle . . 56 A 56 LEU middle . . 57 A 57 GLY middle . false 58 A 58 GLN middle . . 59 A 59 SER middle . . 60 A 60 MET middle . . 61 A 61 GLU middle . . 62 A 62 ALA middle . . 63 A 63 VAL middle . . 64 A 64 ARG middle . . 65 A 65 PHE middle . . 66 A 66 LEU middle . . 67 A 67 TYR middle . . 68 A 68 ASP middle . . 69 A 69 GLY middle . false 70 A 70 ASP middle . . 71 A 71 ARG middle . . 72 A 72 ILE middle . . 73 A 73 HIS middle . . 74 A 74 GLY middle . false 75 A 75 ASP middle . . 76 A 76 ASN middle . . 77 A 77 THR middle . . 78 A 78 PRO middle . false 79 A 79 GLU middle . . 80 A 80 GLN middle . . 81 A 81 LEU middle . . 82 A 82 GLY middle . false 83 A 83 ILE middle . . 84 A 84 GLU middle . . 85 A 85 ASP middle . . 86 A 86 GLY middle . false 87 A 87 ASP middle . . 88 A 88 VAL middle . . 89 A 89 ILE middle . . 90 A 90 ASP middle . . 91 A 91 ALA middle . . 92 A 92 MET middle . . 93 A 93 VAL middle . . 94 A 94 GLN middle . . 95 A 95 GLN middle . . 96 A 96 THR middle . . 97 A 97 GLY middle . false 98 A 98 GLY end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.479 0.020 A 1 MET HA H 1 4.498 0.020 A 1 MET HB2 H 1 2.022 0.020 A 1 MET HB3 H 1 2.022 0.020 A 1 MET HGx H 1 2.548 0.020 A 1 MET HGy H 1 2.548 0.020 A 1 MET C C 13 176.575 0.3 A 1 MET CA C 13 55.443 0.3 A 1 MET CB C 13 32.497 0.3 A 1 MET CG C 13 32.912 0.3 A 1 MET N N 15 122.042 0.3 A 2 GLY H H 1 8.337 0.020 A 2 GLY HA2 H 1 3.899 0.020 A 2 GLY HA3 H 1 3.899 0.020 A 2 GLY C C 13 173.798 0.3 A 2 GLY CA C 13 45.132 0.3 A 2 GLY N N 15 109.774 0.3 A 3 ASP H H 1 8.200 0.020 A 3 ASP HA H 1 4.558 0.020 A 3 ASP HB2 H 1 2.585 0.020 A 3 ASP HB3 H 1 2.585 0.020 A 3 ASP C C 13 176.079 0.3 A 3 ASP CA C 13 54.322 0.3 A 3 ASP CB C 13 41.219 0.3 A 3 ASP N N 15 120.414 0.3 A 4 ASP H H 1 8.281 0.020 A 4 ASP HA H 1 4.546 0.020 A 4 ASP HB2 H 1 2.645 0.020 A 4 ASP HB3 H 1 2.645 0.020 A 4 ASP C C 13 176.277 0.3 A 4 ASP CA C 13 54.322 0.3 A 4 ASP CB C 13 41.097 0.3 A 4 ASP N N 15 120.177 0.3 A 5 ASP H H 1 8.288 0.020 A 5 ASP HA H 1 4.546 0.020 A 5 ASP HB2 H 1 2.645 0.020 A 5 ASP HB3 H 1 2.645 0.020 A 5 ASP C C 13 176.731 0.3 A 5 ASP CA C 13 54.572 0.3 A 5 ASP CB C 13 40.873 0.3 A 5 ASP N N 15 121.481 0.3 A 6 SER H H 1 8.203 0.020 A 6 SER HA H 1 4.294 0.020 A 6 SER HB2 H 1 3.852 0.020 A 6 SER HB3 H 1 3.852 0.020 A 6 SER C C 13 174.690 0.3 A 6 SER CA C 13 59.151 0.3 A 6 SER CB C 13 63.616 0.3 A 6 SER N N 15 115.987 0.3 A 7 ALA H H 1 8.141 0.020 A 7 ALA HA H 1 4.270 0.020 A 7 ALA HB% H 1 1.342 0.020 A 7 ALA C C 13 177.921 0.3 A 7 ALA CA C 13 52.755 0.3 A 7 ALA CB C 13 18.906 0.3 A 7 ALA N N 15 125.295 0.3 A 8 VAL H H 1 7.835 0.020 A 8 VAL HA H 1 3.995 0.020 A 8 VAL HB H 1 1.987 0.020 A 8 VAL HG1% H 1 0.845 0.020 A 8 VAL HG2% H 1 0.845 0.020 A 8 VAL C C 13 175.952 0.3 A 8 VAL CA C 13 62.481 0.3 A 8 VAL CB C 13 32.395 0.3 A 8 VAL CG1 C 13 20.699 0.3 A 8 VAL CG2 C 13 21.114 0.3 A 8 VAL N N 15 117.891 0.3 A 9 ASN H H 1 8.290 0.020 A 9 ASN HA H 1 4.628 0.020 A 9 ASN HB2 H 1 2.704 0.020 A 9 ASN HB3 H 1 2.704 0.020 A 9 ASN C C 13 174.931 0.3 A 9 ASN CA C 13 52.678 0.3 A 9 ASN CB C 13 38.781 0.3 A 9 ASN N N 15 121.292 0.3 A 10 ASN H H 1 8.340 0.020 A 10 ASN HA H 1 4.678 0.020 A 10 ASN HB2 H 1 2.752 0.020 A 10 ASN HB3 H 1 2.752 0.020 A 10 ASN C C 13 175.138 0.3 A 10 ASN CA C 13 53.137 0.3 A 10 ASN CB C 13 38.701 0.3 A 10 ASN N N 15 119.503 0.3 A 11 ASN H H 1 8.396 0.020 A 11 ASN HA H 1 4.654 0.020 A 11 ASN HB2 H 1 2.800 0.020 A 11 ASN HB3 H 1 2.800 0.020 A 11 ASN C C 13 175.816 0.3 A 11 ASN CA C 13 53.376 0.3 A 11 ASN CB C 13 38.626 0.3 A 11 ASN N N 15 118.992 0.3 A 12 GLY H H 1 8.319 0.020 A 12 GLY HA2 H 1 3.936 0.020 A 12 GLY HA3 H 1 3.936 0.020 A 12 GLY C C 13 174.180 0.3 A 12 GLY CA C 13 45.294 0.3 A 12 GLY N N 15 109.002 0.3 A 13 SER H H 1 8.179 0.020 A 13 SER HA H 1 4.439 0.020 A 13 SER HB2 H 1 3.805 0.020 A 13 SER HB3 H 1 3.805 0.020 A 13 SER C C 13 174.221 0.3 A 13 SER CA C 13 58.256 0.3 A 13 SER CB C 13 63.905 0.3 A 13 SER N N 15 115.697 0.3 A 14 SER H H 1 8.258 0.020 A 14 SER HA H 1 4.724 0.020 A 14 SER HB2 H 1 3.792 0.020 A 14 SER HB3 H 1 3.792 0.020 A 14 SER C C 13 173.018 0.3 A 14 SER CA C 13 56.393 0.3 A 14 SER CB C 13 63.797 0.3 A 14 SER N N 15 118.732 0.3 A 15 PRO C C 13 176.929 0.3 A 15 PRO CA C 13 63.214 0.3 A 15 PRO CB C 13 31.907 0.3 A 15 PRO CG C 13 27.050 0.3 A 16 VAL H H 1 8.103 0.020 A 16 VAL HA H 1 3.993 0.020 A 16 VAL HB H 1 1.958 0.020 A 16 VAL HG1% H 1 0.845 0.020 A 16 VAL HG2% H 1 0.845 0.020 A 16 VAL C C 13 175.894 0.3 A 16 VAL CA C 13 62.301 0.3 A 16 VAL CB C 13 32.388 0.3 A 16 VAL CG1 C 13 20.625 0.3 A 16 VAL CG2 C 13 21.039 0.3 A 16 VAL N N 15 119.628 0.3 A 17 ASN H H 1 8.387 0.020 A 17 ASN HA H 1 4.990 0.020 A 17 ASN HB2 H 1 2.736 0.020 A 17 ASN HB3 H 1 2.736 0.020 A 17 ASN C C 13 174.925 0.3 A 17 ASN CA C 13 52.971 0.3 A 17 ASN CB C 13 38.856 0.3 A 17 ASN N N 15 121.845 0.3 A 18 ASN H H 1 8.349 0.020 A 18 ASN HA H 1 4.762 0.020 A 18 ASN HBy H 1 2.277 0.020 A 18 ASN HBx H 1 1.895 0.020 A 18 ASN C C 13 176.290 0.3 A 18 ASN CA C 13 52.971 0.3 A 18 ASN CB C 13 38.712 0.3 A 18 ASN N N 15 119.735 0.3 A 19 GLN H H 1 8.372 0.020 A 19 GLN HA H 1 4.271 0.020 A 19 GLN HBy H 1 2.118 0.020 A 19 GLN HBx H 1 1.950 0.020 A 19 GLN HG2 H 1 2.333 0.020 A 19 GLN HG3 H 1 2.333 0.020 A 19 GLN C C 13 176.621 0.3 A 19 GLN CA C 13 56.368 0.3 A 19 GLN CB C 13 29.132 0.3 A 19 GLN CG C 13 33.700 0.3 A 19 GLN N N 15 120.684 0.3 A 20 GLY H H 1 8.392 0.020 A 20 GLY HAx H 1 3.972 0.020 A 20 GLY HAy H 1 3.972 0.020 A 20 GLY C C 13 174.176 0.3 A 20 GLY CA C 13 45.285 0.3 A 20 GLY N N 15 109.233 0.3 A 21 GLU H H 1 8.353 0.020 A 21 GLU HA H 1 4.193 0.020 A 21 GLU HBx H 1 1.926 0.020 A 21 GLU HBy H 1 1.931 0.020 A 21 GLU HG2 H 1 2.142 0.020 A 21 GLU HG3 H 1 2.142 0.020 A 21 GLU C C 13 176.290 0.3 A 21 GLU CA C 13 57.100 0.3 A 21 GLU CB C 13 30.594 0.3 A 21 GLU CG C 13 36.315 0.3 A 21 GLU N N 15 119.398 0.3 A 22 HIS H H 1 8.154 0.020 A 22 HIS HA H 1 4.948 0.020 A 22 HIS HBy H 1 2.833 0.020 A 22 HIS HBx H 1 2.785 0.020 A 22 HIS C C 13 175.255 0.3 A 22 HIS CA C 13 56.801 0.3 A 22 HIS CB C 13 32.422 0.3 A 22 HIS N N 15 117.822 0.3 A 23 ILE H H 1 9.071 0.020 A 23 ILE HA H 1 4.604 0.020 A 23 ILE HB H 1 1.597 0.020 A 23 ILE HD1% H 1 0.410 0.020 A 23 ILE HG12 H 1 1.268 0.020 A 23 ILE HG13 H 1 1.268 0.020 A 23 ILE HG2% H 1 0.849 0.020 A 23 ILE C C 13 173.647 0.3 A 23 ILE CA C 13 59.893 0.3 A 23 ILE CB C 13 42.283 0.3 A 23 ILE CD1 C 13 14.498 0.3 A 23 ILE CG1 C 13 24.211 0.3 A 23 ILE CG2 C 13 18.383 0.3 A 23 ILE N N 15 115.510 0.3 A 24 GLN H H 1 9.092 0.020 A 24 GLN HA H 1 5.478 0.020 A 24 GLN HB2 H 1 1.876 0.020 A 24 GLN HB3 H 1 1.876 0.020 A 24 GLN HGy H 1 2.239 0.020 A 24 GLN HGx H 1 2.119 0.020 A 24 GLN C C 13 175.431 0.3 A 24 GLN CA C 13 54.492 0.3 A 24 GLN CB C 13 31.147 0.3 A 24 GLN CG C 13 35.269 0.3 A 24 GLN N N 15 121.775 0.3 A 25 VAL H H 1 8.890 0.020 A 25 VAL HA H 1 4.903 0.020 A 25 VAL HB H 1 1.855 0.020 A 25 VAL HGx% H 1 0.650 0.020 A 25 VAL HGy% H 1 0.605 0.020 A 25 VAL C C 13 173.846 0.3 A 25 VAL CA C 13 62.466 0.3 A 25 VAL CB C 13 32.355 0.3 A 25 VAL CG1 C 13 20.699 0.3 A 25 VAL CG2 C 13 20.774 0.3 A 25 VAL N N 15 119.255 0.3 A 26 LYS H H 1 8.369 0.020 A 26 LYS HA H 1 4.975 0.020 A 26 LYS HBy H 1 1.318 0.020 A 26 LYS HBx H 1 1.187 0.020 A 26 LYS HD2 H 1 0.879 0.020 A 26 LYS HD3 H 1 0.879 0.020 A 26 LYS HE2 H 1 2.618 0.020 A 26 LYS HE3 H 1 2.618 0.020 A 26 LYS HG2 H 1 0.739 0.020 A 26 LYS HG3 H 1 0.739 0.020 A 26 LYS C C 13 174.903 0.3 A 26 LYS CA C 13 54.052 0.3 A 26 LYS CB C 13 34.839 0.3 A 26 LYS CD C 13 29.217 0.3 A 26 LYS CE C 13 42.666 0.3 A 26 LYS CG C 13 24.286 0.3 A 26 LYS N N 15 121.105 0.3 A 27 VAL H H 1 9.106 0.020 A 27 VAL HA H 1 5.119 0.020 A 27 VAL HB H 1 1.804 0.020 A 27 VAL HGx% H 1 0.643 0.020 A 27 VAL HGy% H 1 0.042 0.020 A 27 VAL C C 13 175.652 0.3 A 27 VAL CA C 13 60.598 0.3 A 27 VAL CB C 13 32.391 0.3 A 27 VAL CG1 C 13 21.745 0.3 A 27 VAL CG2 C 13 21.745 0.3 A 27 VAL N N 15 122.633 0.3 A 28 ARG H H 1 9.096 0.020 A 28 ARG HA H 1 5.386 0.020 A 28 ARG HB2 H 1 1.816 0.020 A 28 ARG HB3 H 1 1.816 0.020 A 28 ARG HDy H 1 3.176 0.020 A 28 ARG HDx H 1 3.093 0.020 A 28 ARG HG2 H 1 1.457 0.020 A 28 ARG HG3 H 1 1.457 0.020 A 28 ARG C C 13 174.683 0.3 A 28 ARG CA C 13 54.173 0.3 A 28 ARG CB C 13 34.737 0.3 A 28 ARG CD C 13 43.339 0.3 A 28 ARG CG C 13 26.228 0.3 A 28 ARG N N 15 130.585 0.3 A 29 SER H H 1 8.734 0.020 A 29 SER HA H 1 5.389 0.020 A 29 SER HBy H 1 4.301 0.020 A 29 SER HBx H 1 3.990 0.020 A 29 SER C C 13 175.749 0.3 A 29 SER CA C 13 55.966 0.3 A 29 SER CB C 13 63.214 0.3 A 29 SER N N 15 121.521 0.3 A 30 PRO HA H 1 4.337 0.020 A 30 PRO HB2 H 1 2.423 0.020 A 30 PRO HB3 H 1 2.423 0.020 A 30 PRO HGy H 1 2.166 0.020 A 30 PRO HGx H 1 1.926 0.020 A 30 PRO C C 13 176.797 0.3 A 30 PRO CA C 13 65.455 0.3 A 30 PRO CB C 13 31.683 0.3 A 30 PRO CD C 13 45.132 0.3 A 30 PRO CG C 13 28.321 0.3 A 31 ASP H H 1 7.932 0.020 A 31 ASP HA H 1 4.444 0.020 A 31 ASP HBy H 1 2.824 0.020 A 31 ASP HBx H 1 2.656 0.020 A 31 ASP C C 13 176.621 0.3 A 31 ASP CA C 13 53.500 0.3 A 31 ASP CB C 13 39.981 0.3 A 31 ASP N N 15 113.521 0.3 A 32 GLY H H 1 8.373 0.020 A 32 GLY HAy H 1 4.271 0.020 A 32 GLY HAx H 1 3.505 0.020 A 32 GLY C C 13 173.978 0.3 A 32 GLY CA C 13 44.708 0.3 A 32 GLY N N 15 108.989 0.3 A 33 ALA H H 1 7.630 0.020 A 33 ALA HA H 1 4.271 0.020 A 33 ALA HB% H 1 1.347 0.020 A 33 ALA C C 13 176.995 0.3 A 33 ALA CA C 13 52.736 0.3 A 33 ALA CB C 13 18.887 0.3 A 33 ALA N N 15 124.507 0.3 A 34 GLU H H 1 8.349 0.020 A 34 GLU HA H 1 5.167 0.020 A 34 GLU HB2 H 1 1.814 0.020 A 34 GLU HB3 H 1 1.814 0.020 A 34 GLU HG2 H 1 2.343 0.020 A 34 GLU HG3 H 1 2.343 0.020 A 34 GLU C C 13 175.740 0.3 A 34 GLU CA C 13 54.782 0.3 A 34 GLU CB C 13 32.276 0.3 A 34 GLU CG C 13 36.581 0.3 A 34 GLU N N 15 119.194 0.3 A 35 VAL H H 1 8.492 0.020 A 35 VAL HA H 1 4.269 0.020 A 35 VAL HB H 1 2.020 0.020 A 35 VAL HGx% H 1 0.999 0.020 A 35 VAL HGy% H 1 0.751 0.020 A 35 VAL C C 13 174.286 0.3 A 35 VAL CA C 13 60.897 0.3 A 35 VAL CB C 13 34.740 0.3 A 35 VAL CG1 C 13 22.907 0.3 A 35 VAL CG2 C 13 20.890 0.3 A 35 VAL N N 15 122.177 0.3 A 36 PHE H H 1 8.555 0.020 A 36 PHE HA H 1 5.179 0.020 A 36 PHE HB2 H 1 2.820 0.020 A 36 PHE HB3 H 1 2.820 0.020 A 36 PHE C C 13 175.718 0.3 A 36 PHE CA C 13 57.236 0.3 A 36 PHE CB C 13 40.798 0.3 A 36 PHE N N 15 124.831 0.3 A 37 PHE H H 1 9.081 0.020 A 37 PHE HA H 1 4.756 0.020 A 37 PHE HBy H 1 2.845 0.020 A 37 PHE HBx H 1 2.510 0.020 A 37 PHE C C 13 174.044 0.3 A 37 PHE CA C 13 57.236 0.3 A 37 PHE CB C 13 44.385 0.3 A 37 PHE N N 15 118.930 0.3 A 38 LYS H H 1 8.591 0.020 A 38 LYS HA H 1 5.274 0.020 A 38 LYS HBy H 1 1.613 0.020 A 38 LYS HBx H 1 1.565 0.020 A 38 LYS HD2 H 1 1.388 0.020 A 38 LYS HD3 H 1 1.388 0.020 A 38 LYS HE2 H 1 2.596 0.020 A 38 LYS HE3 H 1 2.596 0.020 A 38 LYS HG2 H 1 1.101 0.020 A 38 LYS HG3 H 1 1.101 0.020 A 38 LYS C C 13 176.114 0.3 A 38 LYS CA C 13 55.294 0.3 A 38 LYS CB C 13 33.429 0.3 A 38 LYS CD C 13 29.142 0.3 A 38 LYS CG C 13 25.033 0.3 A 38 LYS N N 15 122.713 0.3 A 39 ILE H H 1 9.178 0.020 A 39 ILE HA H 1 4.903 0.020 A 39 ILE HB H 1 1.244 0.020 A 39 ILE HD1% H 1 0.560 0.020 A 39 ILE HG12 H 1 1.244 0.020 A 39 ILE HG13 H 1 1.244 0.020 A 39 ILE HG2% H 1 0.742 0.020 A 39 ILE C C 13 173.912 0.3 A 39 ILE CA C 13 59.179 0.3 A 39 ILE CB C 13 41.994 0.3 A 39 ILE N N 15 120.755 0.3 A 40 LYS H H 1 8.454 0.020 A 40 LYS HA H 1 4.588 0.020 A 40 LYS C C 13 178.669 0.3 A 40 LYS CA C 13 56.190 0.3 A 40 LYS CB C 13 38.704 0.3 A 40 LYS CG C 13 21.205 0.3 A 40 LYS N N 15 122.122 0.3 A 41 ARG H H 1 8.410 0.020 A 41 ARG HA H 1 4.688 0.020 A 41 ARG C C 13 176.913 0.3 A 41 ARG CA C 13 53.137 0.3 A 41 ARG CB C 13 32.837 0.3 A 41 ARG N N 15 119.761 0.3 A 42 LYS HA H 1 4.391 0.020 A 42 LYS HB2 H 1 2.046 0.020 A 42 LYS HB3 H 1 2.046 0.020 A 42 LYS HD2 H 1 1.556 0.020 A 42 LYS HD3 H 1 1.556 0.020 A 42 LYS HE2 H 1 2.931 0.020 A 42 LYS HE3 H 1 2.931 0.020 A 42 LYS HG2 H 1 1.268 0.020 A 42 LYS HG3 H 1 1.268 0.020 A 42 LYS C C 13 175.960 0.3 A 42 LYS CA C 13 55.679 0.3 A 42 LYS CB C 13 32.572 0.3 A 42 LYS CD C 13 26.045 0.3 A 42 LYS CE C 13 40.839 0.3 A 43 THR H H 1 7.076 0.020 A 43 THR HA H 1 4.217 0.020 A 43 THR HB H 1 3.966 0.020 A 43 THR HG2% H 1 1.373 0.020 A 43 THR C C 13 173.471 0.3 A 43 THR CA C 13 62.634 0.3 A 43 THR CB C 13 69.888 0.3 A 43 THR CG2 C 13 22.044 0.3 A 43 THR N N 15 117.426 0.3 A 44 LYS H H 1 8.448 0.020 A 44 LYS HA H 1 3.999 0.020 A 44 LYS HB2 H 1 2.306 0.020 A 44 LYS HB3 H 1 2.306 0.020 A 44 LYS HD2 H 1 1.744 0.020 A 44 LYS HD3 H 1 1.744 0.020 A 44 LYS HE2 H 1 2.927 0.020 A 44 LYS HE3 H 1 2.927 0.020 A 44 LYS HG2 H 1 1.505 0.020 A 44 LYS HG3 H 1 1.505 0.020 A 44 LYS C C 13 178.669 0.3 A 44 LYS CA C 13 57.685 0.3 A 44 LYS CB C 13 32.206 0.3 A 44 LYS CD C 13 25.855 0.3 A 44 LYS CG C 13 21.447 0.3 A 44 LYS N N 15 125.035 0.3 A 45 LEU H H 1 8.675 0.020 A 45 LEU HA H 1 3.910 0.020 A 45 LEU HBy H 1 1.639 0.020 A 45 LEU HBx H 1 1.364 0.020 A 45 LEU HDx% H 1 0.538 0.020 A 45 LEU HDy% H 1 0.395 0.020 A 45 LEU HG H 1 1.029 0.020 A 45 LEU C C 13 177.039 0.3 A 45 LEU CA C 13 56.937 0.3 A 45 LEU CB C 13 41.994 0.3 A 45 LEU N N 15 123.364 0.3 A 46 GLU H H 1 8.773 0.020 A 46 GLU HA H 1 3.799 0.020 A 46 GLU HB2 H 1 1.783 0.020 A 46 GLU HB3 H 1 1.783 0.020 A 46 GLU HG2 H 1 2.058 0.020 A 46 GLU HG3 H 1 2.058 0.020 A 46 GLU C C 13 176.621 0.3 A 46 GLU CA C 13 59.702 0.3 A 46 GLU CB C 13 29.292 0.3 A 46 GLU CG C 13 34.896 0.3 A 46 GLU N N 15 120.541 0.3 A 47 LYS H H 1 7.476 0.020 A 47 LYS HA H 1 4.102 0.020 A 47 LYS HB2 H 1 1.819 0.020 A 47 LYS HB3 H 1 1.819 0.020 A 47 LYS HDy H 1 1.481 0.020 A 47 LYS HDx H 1 1.445 0.020 A 47 LYS HE2 H 1 2.943 0.020 A 47 LYS HE3 H 1 2.943 0.020 A 47 LYS C C 13 178.383 0.3 A 47 LYS CA C 13 58.357 0.3 A 47 LYS CB C 13 30.861 0.3 A 47 LYS CD C 13 24.211 0.3 A 47 LYS N N 15 116.374 0.3 A 48 LEU H H 1 7.163 0.020 A 48 LEU HA H 1 3.601 0.020 A 48 LEU HB2 H 1 1.340 0.020 A 48 LEU HB3 H 1 1.340 0.020 A 48 LEU HDx% H 1 0.320 0.020 A 48 LEU HDy% H 1 0.084 0.020 A 48 LEU HG H 1 1.340 0.020 A 48 LEU C C 13 177.524 0.3 A 48 LEU CA C 13 58.133 0.3 A 48 LEU CB C 13 41.172 0.3 A 48 LEU CD1 C 13 26.494 0.3 A 48 LEU N N 15 121.791 0.3 A 49 MET H H 1 7.809 0.020 A 49 MET HA H 1 4.628 0.020 A 49 MET HB2 H 1 2.111 0.020 A 49 MET HB3 H 1 2.111 0.020 A 49 MET HGx H 1 2.638 0.020 A 49 MET HGy H 1 2.638 0.020 A 49 MET C C 13 177.590 0.3 A 49 MET CA C 13 59.418 0.3 A 49 MET CB C 13 31.974 0.3 A 49 MET CG C 13 32.239 0.3 A 49 MET N N 15 117.457 0.3 A 50 GLU H H 1 8.362 0.020 A 50 GLU HA H 1 3.958 0.020 A 50 GLU HBy H 1 2.147 0.020 A 50 GLU HBx H 1 2.064 0.020 A 50 GLU HGx H 1 2.369 0.020 A 50 GLU HGy H 1 2.369 0.020 A 50 GLU C C 13 179.065 0.3 A 50 GLU CA C 13 59.851 0.3 A 50 GLU CB C 13 29.890 0.3 A 50 GLU CG C 13 35.867 0.3 A 50 GLU N N 15 120.018 0.3 A 51 VAL H H 1 7.834 0.020 A 51 VAL HA H 1 3.745 0.020 A 51 VAL HB H 1 2.190 0.020 A 51 VAL HGx% H 1 1.140 0.020 A 51 VAL HGy% H 1 1.125 0.020 A 51 VAL C C 13 178.845 0.3 A 51 VAL CA C 13 66.352 0.3 A 51 VAL CB C 13 31.608 0.3 A 51 VAL CG1 C 13 23.314 0.3 A 51 VAL CG2 C 13 21.222 0.3 A 51 VAL N N 15 119.650 0.3 A 52 TYR H H 1 8.668 0.020 A 52 TYR HA H 1 3.994 0.020 A 52 TYR HBy H 1 3.194 0.020 A 52 TYR HBx H 1 2.977 0.020 A 52 TYR C C 13 177.524 0.3 A 52 TYR CA C 13 63.288 0.3 A 52 TYR CB C 13 38.482 0.3 A 52 TYR N N 15 121.285 0.3 A 53 CYS H H 1 8.682 0.020 A 53 CYS HA H 1 3.791 0.020 A 53 CYS HBy H 1 3.168 0.020 A 53 CYS HBx H 1 2.967 0.020 A 53 CYS C C 13 177.149 0.3 A 53 CYS CA C 13 65.605 0.3 A 53 CYS CB C 13 25.407 0.3 A 53 CYS N N 15 116.396 0.3 A 54 ASN H H 1 8.319 0.020 A 54 ASN HA H 1 4.457 0.020 A 54 ASN HBy H 1 2.953 0.020 A 54 ASN HBx H 1 2.797 0.020 A 54 ASN C C 13 178.427 0.3 A 54 ASN CA C 13 56.340 0.3 A 54 ASN CB C 13 38.258 0.3 A 54 ASN N N 15 118.418 0.3 A 55 ARG H H 1 8.026 0.020 A 55 ARG HA H 1 3.970 0.020 A 55 ARG HB2 H 1 1.867 0.020 A 55 ARG HB3 H 1 1.867 0.020 A 55 ARG HD2 H 1 3.087 0.020 A 55 ARG HD3 H 1 3.087 0.020 A 55 ARG HG2 H 1 1.603 0.020 A 55 ARG HG3 H 1 1.603 0.020 A 55 ARG C C 13 177.942 0.3 A 55 ARG CA C 13 58.656 0.3 A 55 ARG CB C 13 29.367 0.3 A 55 ARG CD C 13 43.413 0.3 A 55 ARG CG C 13 27.241 0.3 A 55 ARG N N 15 120.818 0.3 A 56 LEU H H 1 7.408 0.020 A 56 LEU HA H 1 4.090 0.020 A 56 LEU HB2 H 1 1.493 0.020 A 56 LEU HB3 H 1 1.493 0.020 A 56 LEU HD1% H 1 0.587 0.020 A 56 LEU HD2% H 1 0.587 0.020 A 56 LEU HG H 1 1.373 0.020 A 56 LEU C C 13 177.634 0.3 A 56 LEU CA C 13 54.771 0.3 A 56 LEU CB C 13 42.816 0.3 A 56 LEU CD1 C 13 27.241 0.3 A 56 LEU CD2 C 13 25.108 0.3 A 56 LEU CG C 13 26.303 0.3 A 56 LEU N N 15 117.503 0.3 A 57 GLY H H 1 7.858 0.020 A 57 GLY HAy H 1 3.918 0.020 A 57 GLY HAx H 1 3.835 0.020 A 57 GLY C C 13 174.727 0.3 A 57 GLY CA C 13 46.107 0.3 A 57 GLY N N 15 108.801 0.3 A 58 GLN H H 1 7.663 0.020 A 58 GLN HA H 1 4.509 0.020 A 58 GLN HBx H 1 1.256 0.020 A 58 GLN HBy H 1 1.258 0.020 A 58 GLN HGx H 1 2.106 0.020 A 58 GLN HGy H 1 2.107 0.020 A 58 GLN C C 13 175.079 0.3 A 58 GLN CA C 13 53.052 0.3 A 58 GLN CB C 13 31.982 0.3 A 58 GLN CG C 13 32.804 0.3 A 58 GLN N N 15 116.505 0.3 A 59 SER H H 1 8.499 0.020 A 59 SER HA H 1 4.433 0.020 A 59 SER HBy H 1 4.026 0.020 A 59 SER HBx H 1 3.835 0.020 A 59 SER C C 13 175.497 0.3 A 59 SER CA C 13 57.311 0.3 A 59 SER CB C 13 63.961 0.3 A 59 SER N N 15 116.477 0.3 A 60 MET H H 1 8.809 0.020 A 60 MET HA H 1 4.634 0.020 A 60 MET HB2 H 1 2.087 0.020 A 60 MET HB3 H 1 2.087 0.020 A 60 MET HGx H 1 2.656 0.020 A 60 MET HGy H 1 2.721 0.020 A 60 MET C C 13 178.272 0.3 A 60 MET CA C 13 58.506 0.3 A 60 MET CB C 13 32.804 0.3 A 60 MET CG C 13 32.206 0.3 A 60 MET N N 15 123.028 0.3 A 61 GLU H H 1 8.333 0.020 A 61 GLU HA H 1 4.116 0.020 A 61 GLU HBx H 1 1.927 0.020 A 61 GLU HBy H 1 2.001 0.020 A 61 GLU HG2 H 1 2.250 0.020 A 61 GLU HG3 H 1 2.250 0.020 A 61 GLU C C 13 177.039 0.3 A 61 GLU CA C 13 58.147 0.3 A 61 GLU CB C 13 28.918 0.3 A 61 GLU CG C 13 36.241 0.3 A 61 GLU N N 15 114.901 0.3 A 62 ALA H H 1 7.656 0.020 A 62 ALA HA H 1 4.343 0.020 A 62 ALA HB% H 1 1.509 0.020 A 62 ALA C C 13 175.938 0.3 A 62 ALA CA C 13 52.389 0.3 A 62 ALA CB C 13 20.475 0.3 A 62 ALA N N 15 120.648 0.3 A 63 VAL H H 1 7.100 0.020 A 63 VAL HA H 1 4.383 0.020 A 63 VAL HB H 1 1.810 0.020 A 63 VAL HGx% H 1 0.795 0.020 A 63 VAL HGy% H 1 0.042 0.020 A 63 VAL C C 13 174.330 0.3 A 63 VAL CA C 13 61.271 0.3 A 63 VAL CB C 13 33.551 0.3 A 63 VAL CG1 C 13 21.521 0.3 A 63 VAL CG2 C 13 22.534 0.3 A 63 VAL N N 15 118.179 0.3 A 64 ARG H H 1 8.529 0.020 A 64 ARG HA H 1 4.437 0.020 A 64 ARG HBy H 1 1.537 0.020 A 64 ARG HBx H 1 1.485 0.020 A 64 ARG HD2 H 1 3.017 0.020 A 64 ARG HD3 H 1 3.017 0.020 A 64 ARG C C 13 173.625 0.3 A 64 ARG CA C 13 54.098 0.3 A 64 ARG CB C 13 32.206 0.3 A 64 ARG CD C 13 43.189 0.3 A 64 ARG CG C 13 27.050 0.3 A 64 ARG N N 15 125.751 0.3 A 65 PHE H H 1 8.851 0.020 A 65 PHE HA H 1 5.238 0.020 A 65 PHE HBy H 1 2.716 0.020 A 65 PHE HBx H 1 2.387 0.020 A 65 PHE C C 13 174.749 0.3 A 65 PHE CA C 13 56.564 0.3 A 65 PHE CB C 13 41.023 0.3 A 65 PHE N N 15 122.047 0.3 A 66 LEU H H 1 9.490 0.020 A 66 LEU HA H 1 5.163 0.020 A 66 LEU HB2 H 1 1.581 0.020 A 66 LEU HB3 H 1 1.581 0.020 A 66 LEU HDx% H 1 0.655 0.020 A 66 LEU HDy% H 1 0.568 0.020 A 66 LEU HG H 1 1.233 0.020 A 66 LEU C C 13 175.387 0.3 A 66 LEU CA C 13 53.799 0.3 A 66 LEU CB C 13 46.327 0.3 A 66 LEU CD1 C 13 27.913 0.3 A 66 LEU CD2 C 13 24.925 0.3 A 66 LEU N N 15 122.889 0.3 A 67 TYR H H 1 8.914 0.020 A 67 TYR HA H 1 5.011 0.020 A 67 TYR HBy H 1 2.782 0.020 A 67 TYR HBx H 1 2.722 0.020 A 67 TYR C C 13 175.299 0.3 A 67 TYR CA C 13 56.863 0.3 A 67 TYR CB C 13 41.247 0.3 A 67 TYR N N 15 119.503 0.3 A 68 ASP H H 1 9.074 0.020 A 68 ASP HA H 1 3.898 0.020 A 68 ASP HBy H 1 2.690 0.020 A 68 ASP HBx H 1 1.525 0.020 A 68 ASP C C 13 175.630 0.3 A 68 ASP CA C 13 54.472 0.3 A 68 ASP CB C 13 39.379 0.3 A 68 ASP N N 15 131.019 0.3 A 69 GLY H H 1 8.389 0.020 A 69 GLY HAy H 1 4.090 0.020 A 69 GLY HAx H 1 3.338 0.020 A 69 GLY C C 13 173.317 0.3 A 69 GLY CA C 13 45.281 0.3 A 69 GLY N N 15 101.887 0.3 A 70 ASP H H 1 7.645 0.020 A 70 ASP HA H 1 5.001 0.020 A 70 ASP HB2 H 1 2.585 0.020 A 70 ASP HB3 H 1 2.585 0.020 A 70 ASP C C 13 174.925 0.3 A 70 ASP CA C 13 52.604 0.3 A 70 ASP CB C 13 43.264 0.3 A 70 ASP N N 15 120.678 0.3 A 71 ARG H H 1 8.541 0.020 A 71 ARG HA H 1 4.517 0.020 A 71 ARG HBy H 1 1.735 0.020 A 71 ARG HBx H 1 1.673 0.020 A 71 ARG HD2 H 1 3.159 0.020 A 71 ARG HD3 H 1 3.159 0.020 A 71 ARG C C 13 176.400 0.3 A 71 ARG CA C 13 56.713 0.3 A 71 ARG CB C 13 30.188 0.3 A 71 ARG CG C 13 26.976 0.3 A 71 ARG N N 15 122.973 0.3 A 72 ILE H H 1 8.461 0.020 A 72 ILE HA H 1 4.592 0.020 A 72 ILE HB H 1 2.650 0.020 A 72 ILE HG12 H 1 2.650 0.020 A 72 ILE HG13 H 1 2.650 0.020 A 72 ILE C C 13 173.868 0.3 A 72 ILE CA C 13 60.225 0.3 A 72 ILE CB C 13 41.097 0.3 A 72 ILE N N 15 121.886 0.3 A 73 HIS H H 1 8.283 0.020 A 73 HIS HA H 1 4.768 0.020 A 73 HIS HBy H 1 3.132 0.020 A 73 HIS HBx H 1 2.907 0.020 A 73 HIS C C 13 176.290 0.3 A 73 HIS CA C 13 55.219 0.3 A 73 HIS CB C 13 33.625 0.3 A 73 HIS N N 15 120.880 0.3 A 74 GLY H H 1 8.781 0.020 A 74 GLY HAy H 1 3.802 0.020 A 74 GLY HAx H 1 3.536 0.020 A 74 GLY C C 13 173.647 0.3 A 74 GLY CA C 13 47.056 0.3 A 74 GLY N N 15 108.871 0.3 A 75 ASP H H 1 8.694 0.020 A 75 ASP HA H 1 4.568 0.020 A 75 ASP HB2 H 1 2.630 0.020 A 75 ASP HB3 H 1 2.630 0.020 A 75 ASP C C 13 176.929 0.3 A 75 ASP CA C 13 54.375 0.3 A 75 ASP CB C 13 40.724 0.3 A 75 ASP N N 15 115.334 0.3 A 76 ASN H H 1 7.828 0.020 A 76 ASN HA H 1 5.154 0.020 A 76 ASN HBy H 1 2.836 0.020 A 76 ASN HBx H 1 2.581 0.020 A 76 ASN C C 13 174.066 0.3 A 76 ASN CA C 13 53.426 0.3 A 76 ASN CB C 13 41.247 0.3 A 76 ASN N N 15 116.899 0.3 A 77 THR H H 1 7.601 0.020 A 77 THR HA H 1 5.023 0.020 A 77 THR HB H 1 4.353 0.020 A 77 THR HG2% H 1 0.861 0.020 A 77 THR C C 13 174.186 0.3 A 77 THR CA C 13 57.964 0.3 A 77 THR CB C 13 69.704 0.3 A 77 THR N N 15 108.059 0.3 A 79 GLU C C 13 178.669 0.3 A 79 GLU CA C 13 58.895 0.3 A 79 GLU CB C 13 29.805 0.3 A 79 GLU CG C 13 35.787 0.3 A 80 GLN H H 1 7.837 0.020 A 80 GLN HA H 1 3.948 0.020 A 80 GLN HBy H 1 2.223 0.020 A 80 GLN HBx H 1 2.166 0.020 A 80 GLN HG2 H 1 2.462 0.020 A 80 GLN HG3 H 1 2.462 0.020 A 80 GLN C C 13 177.964 0.3 A 80 GLN CA C 13 58.297 0.3 A 80 GLN CB C 13 28.608 0.3 A 80 GLN CG C 13 33.319 0.3 A 80 GLN N N 15 119.886 0.3 A 81 LEU H H 1 7.288 0.020 A 81 LEU HA H 1 4.282 0.020 A 81 LEU HB2 H 1 1.627 0.020 A 81 LEU HB3 H 1 1.627 0.020 A 81 LEU HDx% H 1 0.847 0.020 A 81 LEU HDy% H 1 0.640 0.020 A 81 LEU HG H 1 1.457 0.020 A 81 LEU C C 13 176.643 0.3 A 81 LEU CA C 13 54.632 0.3 A 81 LEU CB C 13 44.013 0.3 A 81 LEU CD1 C 13 22.235 0.3 A 81 LEU CD2 C 13 22.235 0.3 A 81 LEU CG C 13 27.017 0.3 A 81 LEU N N 15 115.275 0.3 A 82 GLY H H 1 7.774 0.020 A 82 GLY HAy H 1 4.043 0.020 A 82 GLY HAx H 1 3.708 0.020 A 82 GLY C C 13 174.154 0.3 A 82 GLY CA C 13 45.958 0.3 A 82 GLY N N 15 107.854 0.3 A 83 ILE H H 1 7.481 0.020 A 83 ILE HA H 1 3.672 0.020 A 83 ILE HB H 1 1.065 0.020 A 83 ILE HD1% H 1 0.165 0.020 A 83 ILE HG1x H 1 0.898 0.020 A 83 ILE HG1y H 1 0.898 0.020 A 83 ILE HG2% H 1 0.587 0.020 A 83 ILE C C 13 174.550 0.3 A 83 ILE CA C 13 62.616 0.3 A 83 ILE CB C 13 37.881 0.3 A 83 ILE CD1 C 13 17.241 0.3 A 83 ILE CG1 C 13 26.739 0.3 A 83 ILE CG2 C 13 17.241 0.3 A 83 ILE N N 15 119.762 0.3 A 84 GLU H H 1 8.686 0.020 A 84 GLU HA H 1 4.512 0.020 A 84 GLU HBx H 1 1.665 0.020 A 84 GLU HBy H 1 1.689 0.020 A 84 GLU HGy H 1 2.333 0.020 A 84 GLU HGx H 1 2.102 0.020 A 84 GLU C C 13 175.233 0.3 A 84 GLU CA C 13 53.660 0.3 A 84 GLU CB C 13 32.796 0.3 A 84 GLU CG C 13 35.493 0.3 A 84 GLU N N 15 127.978 0.3 A 85 ASP H H 1 8.443 0.020 A 85 ASP HA H 1 4.433 0.020 A 85 ASP HBy H 1 2.626 0.020 A 85 ASP HBx H 1 2.578 0.020 A 85 ASP C C 13 177.700 0.3 A 85 ASP CA C 13 56.726 0.3 A 85 ASP CB C 13 42.443 0.3 A 85 ASP N N 15 118.035 0.3 A 86 GLY H H 1 9.565 0.020 A 86 GLY HAy H 1 4.331 0.020 A 86 GLY HAx H 1 3.575 0.020 A 86 GLY C C 13 174.352 0.3 A 86 GLY CA C 13 45.135 0.3 A 86 GLY N N 15 115.263 0.3 A 87 ASP H H 1 8.009 0.020 A 87 ASP HA H 1 4.744 0.020 A 87 ASP HB2 H 1 3.179 0.020 A 87 ASP HB3 H 1 3.179 0.020 A 87 ASP C C 13 173.890 0.3 A 87 ASP CA C 13 54.782 0.3 A 87 ASP CB C 13 42.892 0.3 A 87 ASP N N 15 121.405 0.3 A 88 VAL H H 1 8.177 0.020 A 88 VAL HA H 1 4.915 0.020 A 88 VAL HB H 1 1.860 0.020 A 88 VAL HGx% H 1 0.867 0.020 A 88 VAL HGy% H 1 0.751 0.020 A 88 VAL C C 13 175.123 0.3 A 88 VAL CA C 13 60.091 0.3 A 88 VAL CB C 13 34.815 0.3 A 88 VAL CG1 C 13 23.057 0.3 A 88 VAL CG2 C 13 20.965 0.3 A 88 VAL N N 15 116.155 0.3 A 89 ILE H H 1 9.088 0.020 A 89 ILE HA H 1 4.564 0.020 A 89 ILE HB H 1 1.589 0.020 A 89 ILE HD1% H 1 0.471 0.020 A 89 ILE HG12 H 1 1.513 0.020 A 89 ILE HG13 H 1 1.513 0.020 A 89 ILE HG2% H 1 0.867 0.020 A 89 ILE C C 13 174.705 0.3 A 89 ILE CA C 13 59.717 0.3 A 89 ILE CB C 13 41.471 0.3 A 89 ILE CD1 C 13 13.428 0.3 A 89 ILE CG1 C 13 27.113 0.3 A 89 ILE CG2 C 13 17.826 0.3 A 89 ILE N N 15 127.351 0.3 A 90 ASP H H 1 8.957 0.020 A 90 ASP HA H 1 5.166 0.020 A 90 ASP HBy H 1 2.399 0.020 A 90 ASP HBx H 1 2.351 0.020 A 90 ASP C C 13 174.462 0.3 A 90 ASP CA C 13 54.408 0.3 A 90 ASP CB C 13 44.013 0.3 A 90 ASP N N 15 127.339 0.3 A 91 ALA H H 1 8.462 0.020 A 91 ALA HA H 1 4.828 0.020 A 91 ALA HB% H 1 0.553 0.020 A 91 ALA C C 13 176.511 0.3 A 91 ALA CA C 13 49.996 0.3 A 91 ALA CB C 13 21.654 0.3 A 91 ALA N N 15 124.127 0.3 A 92 MET H H 1 8.553 0.020 A 92 MET HA H 1 4.592 0.020 A 92 MET HBy H 1 1.888 0.020 A 92 MET HBx H 1 1.792 0.020 A 92 MET HG2 H 1 2.298 0.020 A 92 MET HG3 H 1 2.298 0.020 A 92 MET C C 13 174.484 0.3 A 92 MET CA C 13 54.034 0.3 A 92 MET CB C 13 34.366 0.3 A 92 MET CG C 13 31.450 0.3 A 92 MET N N 15 120.045 0.3 A 93 VAL H H 1 8.405 0.020 A 93 VAL HA H 1 4.285 0.020 A 93 VAL HB H 1 1.910 0.020 A 93 VAL HG1% H 1 0.823 0.020 A 93 VAL HG2% H 1 0.823 0.020 A 93 VAL C C 13 175.960 0.3 A 93 VAL CA C 13 61.961 0.3 A 93 VAL CB C 13 32.497 0.3 A 93 VAL CG1 C 13 21.205 0.3 A 93 VAL CG2 C 13 21.205 0.3 A 93 VAL N N 15 123.720 0.3 A 94 GLN H H 1 8.776 0.020 A 94 GLN HA H 1 4.294 0.020 A 94 GLN HB2 H 1 1.916 0.020 A 94 GLN HB3 H 1 1.916 0.020 A 94 GLN HG2 H 1 2.197 0.020 A 94 GLN HG3 H 1 2.197 0.020 A 94 GLN C C 13 175.057 0.3 A 94 GLN CA C 13 55.530 0.3 A 94 GLN CB C 13 29.740 0.3 A 94 GLN CG C 13 33.319 0.3 A 94 GLN N N 15 127.073 0.3 A 95 GLN H H 1 8.541 0.020 A 95 GLN HA H 1 4.365 0.020 A 95 GLN HBy H 1 2.044 0.020 A 95 GLN HBx H 1 1.912 0.020 A 95 GLN HG2 H 1 2.367 0.020 A 95 GLN HG3 H 1 2.367 0.020 A 95 GLN C C 13 176.136 0.3 A 95 GLN CA C 13 55.679 0.3 A 95 GLN CB C 13 29.431 0.3 A 95 GLN N N 15 123.363 0.3 A 96 THR H H 1 8.312 0.020 A 96 THR HA H 1 4.305 0.020 A 96 THR HB H 1 4.174 0.020 A 96 THR HG2% H 1 1.134 0.020 A 96 THR C C 13 174.991 0.3 A 96 THR CA C 13 61.961 0.3 A 96 THR CB C 13 69.738 0.3 A 96 THR CG2 C 13 21.429 0.3 A 96 THR N N 15 115.871 0.3 A 97 GLY H H 1 8.446 0.020 A 97 GLY HAx H 1 3.910 0.020 A 97 GLY HAy H 1 3.923 0.020 A 97 GLY C C 13 173.625 0.3 A 97 GLY CA C 13 45.255 0.3 A 97 GLY N N 15 111.699 0.3 A 98 GLY H H 1 7.950 0.020 A 98 GLY HA2 H 1 3.696 0.020 A 98 GLY HA3 H 1 3.696 0.020 A 98 GLY C C 13 179.383 0.3 A 98 GLY CA C 13 45.730 0.3 A 98 GLY N N 15 115.221 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 ASP H A 3 ASP HB2 1.0 0.0 6.5 2 2 A 3 ASP H A 3 ASP HB3 1.0 0.0 6.5 3 3 A 3 ASP HA A 4 ASP H 1.0 0.0 5.0 4 4 A 3 ASP HB2 A 4 ASP H 1.0 0.0 6.5 5 5 A 3 ASP HB3 A 4 ASP H 1.0 0.0 6.5 6 6 A 4 ASP H A 4 ASP HA 1.0 0.0 5.0 7 7 A 4 ASP HA A 5 ASP H 1.0 0.0 5.5 8 8 A 5 ASP H A 4 ASP HB2 1.0 0.0 6.5 9 9 A 5 ASP H A 4 ASP HB3 1.0 0.0 6.5 10 10 A 5 ASP H A 5 ASP HB2 1.0 0.0 6.5 11 11 A 5 ASP H A 5 ASP HB3 1.0 0.0 6.5 12 12 A 5 ASP HA A 7 ALA H 1.0 0.0 6.5 13 13 A 5 ASP HA A 8 VAL H 1.0 0.0 6.5 14 14 A 5 ASP HB2 A 6 SER H 1.0 0.0 6.5 15 15 A 5 ASP HB2 A 7 ALA H 1.0 0.0 6.5 16 16 A 5 ASP HB2 A 8 VAL H 1.0 0.0 6.5 17 17 A 5 ASP HB3 A 6 SER H 1.0 0.0 6.5 18 18 A 5 ASP HB3 A 7 ALA H 1.0 0.0 6.5 19 19 A 5 ASP HB3 A 8 VAL H 1.0 0.0 6.5 20 20 A 6 SER H A 6 SER HB2 1.0 0.0 6.5 21 21 A 6 SER H A 6 SER HB3 1.0 0.0 6.5 22 22 A 7 ALA H A 6 SER HB2 1.0 0.0 6.5 23 23 A 7 ALA H A 6 SER HB3 1.0 0.0 6.5 24 24 A 7 ALA H A 8 VAL H 1.0 0.0 6.5 25 25 A 8 VAL H A 7 ALA HA 1.0 0.0 5.5 26 26 A 8 VAL H A 7 ALA HB% 1.0 0.0 6.5 27 27 A 8 VAL H A 8 VAL HB 1.0 0.0 5.5 28 28 A 8 VAL H A 8 VAL HG1% 1.0 0.0 6.5 29 29 A 8 VAL H A 8 VAL HG2% 1.0 0.0 6.5 30 30 A 8 VAL H A 9 ASN H 1.0 0.0 6.5 31 31 A 8 VAL HB A 9 ASN H 1.0 0.0 6.5 32 32 A 8 VAL HG1% A 9 ASN H 1.0 0.0 6.5 33 33 A 8 VAL HG2% A 9 ASN H 1.0 0.0 6.5 34 34 A 9 ASN HA A 11 ASN H 1.0 0.0 5.5 35 35 A 9 ASN HB2 A 10 ASN H 1.0 0.0 6.5 36 36 A 10 ASN H A 9 ASN HB3 1.0 0.0 6.5 37 37 A 11 ASN H A 10 ASN HA 1.0 0.0 5.5 38 38 A 11 ASN H A 10 ASN HB2 1.0 0.0 6.5 39 39 A 11 ASN H A 10 ASN HB3 1.0 0.0 6.5 40 40 A 11 ASN H A 11 ASN HA 1.0 0.0 5.0 41 41 A 11 ASN HB2 A 12 GLY H 1.0 0.0 6.5 42 42 A 12 GLY H A 11 ASN HB3 1.0 0.0 6.5 43 43 A 13 SER HB2 A 14 SER H 1.0 0.0 6.5 44 44 A 14 SER H A 13 SER HB3 1.0 0.0 6.5 45 45 A 14 SER H A 14 SER HB2 1.0 0.0 6.5 46 46 A 14 SER H A 14 SER HB3 1.0 0.0 6.5 47 47 A 16 VAL H A 16 VAL HB 1.0 0.0 5.5 48 48 A 16 VAL H A 16 VAL HG1% 1.0 0.0 6.5 49 49 A 16 VAL H A 16 VAL HG2% 1.0 0.0 6.5 50 50 A 16 VAL H A 17 ASN H 1.0 0.0 6.5 51 51 A 16 VAL HG1% A 17 ASN H 1.0 0.0 6.5 52 52 A 16 VAL HG2% A 17 ASN H 1.0 0.0 6.5 53 53 A 17 ASN H A 18 ASN H 1.0 0.0 6.5 54 54 A 18 ASN H A 17 ASN HB2 1.0 0.0 6.5 55 55 A 18 ASN H A 17 ASN HB3 1.0 0.0 6.5 56 56 A 19 GLN H A 18 ASN HBy 1.0 0.0 6.5 57 56 A 18 ASN HBx A 19 GLN H 1.0 0.0 6.5 58 57 A 19 GLN H A 19 GLN HG2 1.0 0.0 6.5 59 58 A 19 GLN H A 19 GLN HG3 1.0 0.0 6.5 60 59 A 19 GLN HBy A 20 GLY H 1.0 0.0 6.5 61 60 A 20 GLY H A 19 GLN HBx 1.0 0.0 6.5 62 61 A 19 GLN HG2 A 20 GLY H 1.0 0.0 6.5 63 62 A 19 GLN HG3 A 20 GLY H 1.0 0.0 6.5 64 63 A 21 GLU H A 21 GLU HBx 1.0 0.0 5.0 65 64 A 21 GLU H A 21 GLU HBy 1.0 0.0 5.0 66 65 A 21 GLU H A 21 GLU HG2 1.0 0.0 6.5 67 66 A 21 GLU H A 21 GLU HG3 1.0 0.0 6.5 68 67 A 21 GLU HA A 22 HIS H 1.0 0.0 5.5 69 68 A 21 GLU HG2 A 22 HIS H 1.0 0.0 6.5 70 69 A 21 GLU HG3 A 22 HIS H 1.0 0.0 6.5 71 70 A 22 HIS H A 21 GLU HBy 1.0 0.0 6.5 72 70 A 22 HIS H A 21 GLU HBx 1.0 0.0 6.5 73 71 A 22 HIS H A 22 HIS HBy 1.0 0.0 5.5 74 72 A 22 HIS H A 22 HIS HBx 1.0 0.0 6.5 75 73 A 22 HIS H A 22 HIS HBx 1.0 0.0 5.5 76 73 A 22 HIS H A 22 HIS HBy 1.0 0.0 5.5 77 74 A 22 HIS H A 23 ILE H 1.0 0.0 6.5 78 75 A 23 ILE H A 22 HIS HA 1.0 0.0 5.5 79 76 A 22 HIS HA A 39 ILE H 1.0 0.0 6.5 80 77 A 22 HIS HA A 40 LYS HA 1.0 0.0 5.5 81 78 A 22 HIS HBy A 23 ILE H 1.0 0.0 5.5 82 79 A 22 HIS HBy A 39 ILE H 1.0 0.0 6.5 83 80 A 22 HIS HBy A 40 LYS HA 1.0 0.0 6.5 84 81 A 23 ILE H A 22 HIS HBx 1.0 0.0 5.5 85 82 A 39 ILE H A 22 HIS HBx 1.0 0.0 6.5 86 83 A 40 LYS HA A 22 HIS HBx 1.0 0.0 6.5 87 84 A 23 ILE H A 22 HIS HBx 1.0 0.0 5.0 88 84 A 22 HIS HBy A 23 ILE H 1.0 0.0 5.0 89 85 A 39 ILE H A 22 HIS HBx 1.0 0.0 6.5 90 85 A 22 HIS HBy A 39 ILE H 1.0 0.0 6.5 91 86 A 40 LYS HA A 22 HIS HBx 1.0 0.0 5.5 92 86 A 22 HIS HBy A 40 LYS HA 1.0 0.0 5.5 93 87 A 23 ILE H A 23 ILE HG12 1.0 0.0 6.5 94 88 A 23 ILE H A 23 ILE HG13 1.0 0.0 6.5 95 89 A 23 ILE H A 23 ILE HD1% 1.0 0.0 6.5 96 90 A 23 ILE H A 23 ILE HG2% 1.0 0.0 6.5 97 91 A 23 ILE H A 38 LYS HA 1.0 0.0 6.5 98 92 A 23 ILE H A 38 LYS HBy 1.0 0.0 6.5 99 93 A 23 ILE H A 38 LYS HBx 1.0 0.0 6.5 100 94 A 23 ILE H A 39 ILE H 1.0 0.0 6.5 101 95 A 23 ILE H A 39 ILE O 1.0 0.0 4.0 102 96 A 23 ILE H A 39 ILE HD1% 1.0 0.0 6.5 103 97 A 23 ILE H A 39 ILE HG2% 1.0 0.0 6.5 104 98 A 23 ILE H A 40 LYS HA 1.0 0.0 6.5 105 99 A 23 ILE HA A 24 GLN H 1.0 0.0 5.5 106 100 A 23 ILE HA A 85 ASP HA 1.0 0.0 6.5 107 101 A 23 ILE HA A 85 ASP HBy 1.0 0.0 6.5 108 102 A 23 ILE HA A 85 ASP HBx 1.0 0.0 6.5 109 103 A 23 ILE HA A 85 ASP HBx 1.0 0.0 5.5 110 103 A 23 ILE HA A 85 ASP HBy 1.0 0.0 5.5 111 104 A 39 ILE HD1% A 23 ILE HB 1.0 0.0 6.5 112 105 A 85 ASP HA A 23 ILE HB 1.0 0.0 6.5 113 106 A 39 ILE O A 23 ILE N 1.0 0.0 4.5 114 107 A 39 ILE H A 23 ILE O 1.0 0.0 4.0 115 108 A 23 ILE O A 39 ILE N 1.0 0.0 4.5 116 109 A 23 ILE HD1% A 24 GLN H 1.0 0.0 6.5 117 110 A 39 ILE H A 23 ILE HD1% 1.0 0.0 6.5 118 111 A 23 ILE HD1% A 39 ILE HD1% 1.0 0.0 6.5 119 112 A 23 ILE HD1% A 85 ASP HA 1.0 0.0 6.5 120 113 A 23 ILE HG2% A 24 GLN H 1.0 0.0 6.5 121 114 A 23 ILE HG2% A 39 ILE HD1% 1.0 0.0 6.5 122 115 A 23 ILE HG2% A 85 ASP HA 1.0 0.0 6.5 123 116 A 23 ILE HG2% A 85 ASP HBy 1.0 0.0 6.5 124 117 A 23 ILE HG2% A 85 ASP HBx 1.0 0.0 6.5 125 118 A 24 GLN H A 24 GLN HB2 1.0 0.0 6.5 126 119 A 24 GLN H A 24 GLN HB3 1.0 0.0 6.5 127 120 A 24 GLN H A 24 GLN HGy 1.0 0.0 6.5 128 121 A 24 GLN H A 24 GLN HGx 1.0 0.0 6.5 129 122 A 24 GLN H A 25 VAL H 1.0 0.0 6.5 130 123 A 38 LYS HA A 24 GLN H 1.0 0.0 6.5 131 124 A 38 LYS HBy A 24 GLN H 1.0 0.0 6.5 132 125 A 38 LYS HBx A 24 GLN H 1.0 0.0 6.5 133 126 A 24 GLN H A 39 ILE HA 1.0 0.0 6.5 134 127 A 24 GLN H A 39 ILE HB 1.0 0.0 6.5 135 128 A 24 GLN H A 39 ILE HG12 1.0 0.0 6.5 136 129 A 24 GLN H A 39 ILE HG13 1.0 0.0 6.5 137 130 A 39 ILE HD1% A 24 GLN H 1.0 0.0 6.5 138 131 A 24 GLN H A 85 ASP H 1.0 0.0 6.5 139 132 A 24 GLN H A 85 ASP HA 1.0 0.0 6.5 140 133 A 24 GLN H A 85 ASP HBy 1.0 0.0 6.5 141 134 A 24 GLN H A 85 ASP HBx 1.0 0.0 6.5 142 135 A 24 GLN H A 86 GLY H 1.0 0.0 6.5 143 136 A 24 GLN H A 86 GLY HAy 1.0 0.0 6.5 144 136 A 24 GLN H A 86 GLY HAx 1.0 0.0 6.5 145 137 A 24 GLN H A 87 ASP H 1.0 0.0 6.5 146 138 A 25 VAL H A 24 GLN HA 1.0 0.0 5.5 147 139 A 24 GLN HA A 37 PHE H 1.0 0.0 6.5 148 140 A 24 GLN HA A 38 LYS H 1.0 0.0 6.5 149 141 A 38 LYS HA A 24 GLN HA 1.0 0.0 5.0 150 142 A 38 LYS HBy A 24 GLN HA 1.0 0.0 5.5 151 143 A 38 LYS HBx A 24 GLN HA 1.0 0.0 5.5 152 144 A 24 GLN HA A 38 LYS HG2 1.0 0.0 6.5 153 145 A 24 GLN HA A 38 LYS HG3 1.0 0.0 6.5 154 146 A 39 ILE H A 24 GLN HA 1.0 0.0 6.5 155 147 A 39 ILE HD1% A 24 GLN HA 1.0 0.0 6.5 156 148 A 24 GLN HB2 A 25 VAL H 1.0 0.0 6.5 157 149 A 38 LYS HA A 24 GLN HB2 1.0 0.0 6.5 158 150 A 39 ILE H A 24 GLN HB2 1.0 0.0 6.5 159 151 A 24 GLN HB2 A 86 GLY H 1.0 0.0 6.5 160 152 A 24 GLN HB2 A 87 ASP H 1.0 0.0 6.5 161 153 A 24 GLN HB3 A 25 VAL H 1.0 0.0 6.5 162 154 A 24 GLN HB3 A 37 PHE H 1.0 0.0 6.5 163 155 A 38 LYS HA A 24 GLN HB3 1.0 0.0 6.5 164 156 A 39 ILE H A 24 GLN HB3 1.0 0.0 6.5 165 157 A 24 GLN HB3 A 86 GLY H 1.0 0.0 6.5 166 158 A 24 GLN HB3 A 87 ASP H 1.0 0.0 6.5 167 159 A 25 VAL H A 24 GLN HGy 1.0 0.0 6.5 168 160 A 37 PHE H A 24 GLN HGy 1.0 0.0 6.5 169 161 A 38 LYS H A 24 GLN HGy 1.0 0.0 6.5 170 162 A 38 LYS HA A 24 GLN HGy 1.0 0.0 6.5 171 163 A 39 ILE H A 24 GLN HGy 1.0 0.0 6.5 172 164 A 25 VAL H A 24 GLN HGx 1.0 0.0 6.5 173 165 A 37 PHE H A 24 GLN HGx 1.0 0.0 6.5 174 166 A 38 LYS H A 24 GLN HGx 1.0 0.0 6.5 175 167 A 38 LYS HA A 24 GLN HGx 1.0 0.0 6.5 176 168 A 39 ILE H A 24 GLN HGx 1.0 0.0 6.5 177 169 A 38 LYS HA A 24 GLN HGx 1.0 0.0 5.5 178 169 A 38 LYS HA A 24 GLN HGy 1.0 0.0 5.5 179 170 A 25 VAL H A 25 VAL HB 1.0 0.0 6.5 180 171 A 25 VAL H A 25 VAL HGx% 1.0 0.0 6.5 181 172 A 25 VAL H A 25 VAL HGy% 1.0 0.0 6.5 182 173 A 25 VAL H A 26 LYS H 1.0 0.0 6.5 183 174 A 25 VAL H A 36 PHE HA 1.0 0.0 6.5 184 175 A 25 VAL H A 36 PHE HB2 1.0 0.0 6.5 185 176 A 25 VAL H A 36 PHE HB3 1.0 0.0 6.5 186 177 A 25 VAL H A 37 PHE H 1.0 0.0 6.5 187 178 A 25 VAL H A 37 PHE O 1.0 0.0 4.0 188 179 A 25 VAL H A 37 PHE HBy 1.0 0.0 6.5 189 179 A 25 VAL H A 37 PHE HBx 1.0 0.0 6.5 190 180 A 38 LYS HA A 25 VAL H 1.0 0.0 6.5 191 181 A 38 LYS HBy A 25 VAL H 1.0 0.0 6.5 192 182 A 38 LYS HBx A 25 VAL H 1.0 0.0 6.5 193 183 A 25 VAL H A 38 LYS HG2 1.0 0.0 6.5 194 184 A 25 VAL H A 38 LYS HG3 1.0 0.0 6.5 195 185 A 39 ILE H A 25 VAL H 1.0 0.0 6.5 196 186 A 25 VAL H A 48 LEU HDx% 1.0 0.0 6.5 197 186 A 25 VAL H A 48 LEU HDy% 1.0 0.0 6.5 198 187 A 26 LYS H A 25 VAL HA 1.0 0.0 5.0 199 188 A 86 GLY H A 25 VAL HA 1.0 0.0 6.5 200 189 A 25 VAL HA A 86 GLY HAy 1.0 0.0 6.5 201 189 A 86 GLY HAx A 25 VAL HA 1.0 0.0 6.5 202 190 A 87 ASP H A 25 VAL HA 1.0 0.0 6.5 203 191 A 25 VAL HA A 88 VAL H 1.0 0.0 6.5 204 192 A 25 VAL HB A 26 LYS H 1.0 0.0 6.5 205 193 A 86 GLY H A 25 VAL HB 1.0 0.0 6.5 206 194 A 87 ASP H A 25 VAL HB 1.0 0.0 6.5 207 195 A 25 VAL HB A 88 VAL H 1.0 0.0 6.5 208 196 A 37 PHE O A 25 VAL N 1.0 0.0 4.5 209 197 A 37 PHE H A 25 VAL O 1.0 0.0 4.0 210 198 A 25 VAL O A 37 PHE N 1.0 0.0 4.5 211 199 A 26 LYS H A 25 VAL HGx% 1.0 0.0 6.5 212 200 A 86 GLY H A 25 VAL HGx% 1.0 0.0 6.5 213 201 A 87 ASP H A 25 VAL HGx% 1.0 0.0 6.5 214 202 A 26 LYS H A 25 VAL HGy% 1.0 0.0 6.5 215 203 A 86 GLY H A 25 VAL HGy% 1.0 0.0 6.5 216 204 A 87 ASP H A 25 VAL HGy% 1.0 0.0 6.5 217 205 A 37 PHE H A 25 VAL HGx% 1.0 0.0 6.5 218 205 A 37 PHE H A 25 VAL HGy% 1.0 0.0 6.5 219 206 A 38 LYS H A 25 VAL HGx% 1.0 0.0 6.5 220 206 A 38 LYS H A 25 VAL HGy% 1.0 0.0 6.5 221 207 A 88 VAL H A 25 VAL HGx% 1.0 0.0 6.5 222 207 A 88 VAL H A 25 VAL HGy% 1.0 0.0 6.5 223 208 A 26 LYS H A 26 LYS HA 1.0 0.0 5.5 224 209 A 26 LYS H A 26 LYS HD2 1.0 0.0 6.5 225 210 A 26 LYS H A 26 LYS HD3 1.0 0.0 6.5 226 211 A 26 LYS H A 26 LYS HE2 1.0 0.0 6.5 227 212 A 26 LYS H A 26 LYS HE3 1.0 0.0 6.5 228 213 A 26 LYS H A 26 LYS HG2 1.0 0.0 6.5 229 214 A 26 LYS H A 26 LYS HG3 1.0 0.0 6.5 230 215 A 26 LYS H A 27 VAL H 1.0 0.0 6.5 231 216 A 26 LYS H A 86 GLY HAy 1.0 0.0 6.5 232 216 A 86 GLY HAx A 26 LYS H 1.0 0.0 6.5 233 217 A 87 ASP H A 26 LYS H 1.0 0.0 6.5 234 218 A 26 LYS H A 87 ASP HB2 1.0 0.0 6.5 235 219 A 26 LYS H A 87 ASP HB3 1.0 0.0 6.5 236 220 A 26 LYS H A 87 ASP O 1.0 0.0 4.0 237 221 A 26 LYS H A 88 VAL HA 1.0 0.0 5.0 238 222 A 26 LYS H A 88 VAL HB 1.0 0.0 6.5 239 223 A 26 LYS H A 88 VAL HGx% 1.0 0.0 6.5 240 224 A 26 LYS H A 88 VAL HGy% 1.0 0.0 6.5 241 225 A 26 LYS H A 89 ILE H 1.0 0.0 6.5 242 226 A 26 LYS HA A 27 VAL H 1.0 0.0 5.5 243 227 A 26 LYS HA A 34 GLU HA 1.0 0.0 6.5 244 228 A 26 LYS HA A 34 GLU HB2 1.0 0.0 6.5 245 229 A 26 LYS HA A 34 GLU HB3 1.0 0.0 6.5 246 230 A 26 LYS HA A 35 VAL H 1.0 0.0 6.5 247 231 A 26 LYS HA A 36 PHE H 1.0 0.0 6.5 248 232 A 36 PHE HA A 26 LYS HA 1.0 0.0 6.5 249 233 A 37 PHE H A 26 LYS HA 1.0 0.0 6.5 250 234 A 26 LYS HA A 89 ILE H 1.0 0.0 6.5 251 235 A 27 VAL H A 26 LYS HBy 1.0 0.0 6.5 252 236 A 34 GLU HA A 26 LYS HBy 1.0 0.0 6.5 253 237 A 26 LYS HBy A 34 GLU HB2 1.0 0.0 6.5 254 238 A 26 LYS HBy A 34 GLU HB3 1.0 0.0 6.5 255 239 A 36 PHE HA A 26 LYS HBy 1.0 0.0 6.5 256 240 A 88 VAL HA A 26 LYS HBy 1.0 0.0 5.5 257 241 A 89 ILE H A 26 LYS HBy 1.0 0.0 6.5 258 242 A 27 VAL H A 26 LYS HBx 1.0 0.0 6.5 259 243 A 34 GLU HA A 26 LYS HBx 1.0 0.0 6.5 260 244 A 34 GLU HB2 A 26 LYS HBx 1.0 0.0 6.5 261 245 A 26 LYS HBx A 34 GLU HB3 1.0 0.0 5.5 262 246 A 36 PHE HA A 26 LYS HBx 1.0 0.0 6.5 263 247 A 88 VAL HA A 26 LYS HBx 1.0 0.0 5.5 264 248 A 89 ILE H A 26 LYS HBx 1.0 0.0 6.5 265 249 A 27 VAL H A 26 LYS HD2 1.0 0.0 6.5 266 250 A 27 VAL H A 26 LYS HD3 1.0 0.0 6.5 267 251 A 27 VAL H A 26 LYS HG2 1.0 0.0 6.5 268 252 A 29 SER H A 26 LYS HG2 1.0 0.0 6.5 269 253 A 34 GLU HA A 26 LYS HG2 1.0 0.0 6.5 270 254 A 35 VAL H A 26 LYS HG2 1.0 0.0 6.5 271 255 A 36 PHE HA A 26 LYS HG2 1.0 0.0 6.5 272 256 A 37 PHE HA A 26 LYS HG2 1.0 0.0 6.5 273 257 A 26 LYS HG2 A 37 PHE HBy 1.0 0.0 6.5 274 258 A 37 PHE HBx A 26 LYS HG2 1.0 0.0 6.5 275 259 A 27 VAL H A 26 LYS HG3 1.0 0.0 6.5 276 260 A 34 GLU HA A 26 LYS HG3 1.0 0.0 6.5 277 261 A 35 VAL H A 26 LYS HG3 1.0 0.0 6.5 278 262 A 36 PHE HA A 26 LYS HG3 1.0 0.0 5.5 279 263 A 37 PHE HA A 26 LYS HG3 1.0 0.0 6.5 280 264 A 26 LYS HG3 A 37 PHE HBy 1.0 0.0 6.5 281 265 A 37 PHE HBx A 26 LYS HG3 1.0 0.0 6.5 282 266 A 87 ASP O A 26 LYS N 1.0 0.0 4.5 283 267 A 89 ILE H A 26 LYS O 1.0 0.0 4.0 284 268 A 26 LYS O A 89 ILE N 1.0 0.0 4.5 285 269 A 34 GLU HA A 26 LYS HBx 1.0 0.0 6.5 286 269 A 34 GLU HA A 26 LYS HBy 1.0 0.0 6.5 287 270 A 26 LYS HBx A 34 GLU HB3 1.0 0.0 5.5 288 270 A 26 LYS HBy A 34 GLU HB3 1.0 0.0 5.5 289 270 A 34 GLU HB2 A 26 LYS HBx 1.0 0.0 5.5 290 270 A 26 LYS HBy A 34 GLU HB2 1.0 0.0 5.5 291 271 A 88 VAL HA A 26 LYS HBx 1.0 0.0 5.5 292 271 A 88 VAL HA A 26 LYS HBy 1.0 0.0 5.5 293 272 A 37 PHE H A 26 LYS HD3 1.0 0.0 6.5 294 272 A 37 PHE H A 26 LYS HD2 1.0 0.0 6.5 295 273 A 26 LYS HG2 A 37 PHE HBy 1.0 0.0 6.5 296 273 A 26 LYS HG3 A 37 PHE HBy 1.0 0.0 6.5 297 273 A 37 PHE HBx A 26 LYS HG2 1.0 0.0 6.5 298 273 A 37 PHE HBx A 26 LYS HG3 1.0 0.0 6.5 299 274 A 27 VAL H A 27 VAL HGx% 1.0 0.0 6.5 300 275 A 27 VAL H A 27 VAL HGy% 1.0 0.0 6.5 301 276 A 27 VAL H A 27 VAL HGx% 1.0 0.0 6.5 302 276 A 27 VAL H A 27 VAL HGy% 1.0 0.0 6.5 303 277 A 27 VAL H A 28 ARG H 1.0 0.0 6.5 304 278 A 27 VAL H A 29 SER HA 1.0 0.0 6.5 305 279 A 27 VAL H A 29 SER HBx 1.0 0.0 6.5 306 279 A 27 VAL H A 29 SER HBy 1.0 0.0 6.5 307 280 A 27 VAL H A 34 GLU HB3 1.0 0.0 6.5 308 280 A 27 VAL H A 34 GLU HB2 1.0 0.0 6.5 309 281 A 27 VAL H A 35 VAL H 1.0 0.0 6.5 310 282 A 27 VAL H A 35 VAL HB 1.0 0.0 6.5 311 283 A 27 VAL H A 35 VAL O 1.0 0.0 4.5 312 284 A 27 VAL H A 35 VAL HGx% 1.0 0.0 6.5 313 285 A 27 VAL H A 35 VAL HGy% 1.0 0.0 6.5 314 286 A 27 VAL H A 35 VAL HGx% 1.0 0.0 6.5 315 286 A 27 VAL H A 35 VAL HGy% 1.0 0.0 6.5 316 287 A 36 PHE HA A 27 VAL H 1.0 0.0 6.5 317 288 A 27 VAL H A 88 VAL HA 1.0 0.0 6.5 318 289 A 27 VAL H A 88 VAL HB 1.0 0.0 6.5 319 290 A 27 VAL H A 88 VAL HGx% 1.0 0.0 6.5 320 291 A 27 VAL H A 88 VAL HGy% 1.0 0.0 6.5 321 292 A 29 SER H A 27 VAL HA 1.0 0.0 6.5 322 293 A 88 VAL HA A 27 VAL HA 1.0 0.0 6.5 323 294 A 27 VAL HA A 88 VAL HGx% 1.0 0.0 6.5 324 294 A 27 VAL HA A 88 VAL HGy% 1.0 0.0 6.5 325 295 A 89 ILE H A 27 VAL HA 1.0 0.0 6.5 326 296 A 27 VAL HA A 89 ILE HB 1.0 0.0 5.5 327 297 A 27 VAL HA A 89 ILE HD1% 1.0 0.0 6.5 328 298 A 27 VAL HA A 89 ILE HG2% 1.0 0.0 6.5 329 299 A 28 ARG H A 27 VAL HB 1.0 0.0 6.5 330 300 A 27 VAL HB A 29 SER HBx 1.0 0.0 6.5 331 300 A 29 SER HBy A 27 VAL HB 1.0 0.0 6.5 332 301 A 27 VAL HB A 34 GLU HG2 1.0 0.0 6.5 333 302 A 27 VAL HB A 34 GLU HG3 1.0 0.0 6.5 334 303 A 35 VAL HB A 27 VAL HB 1.0 0.0 6.5 335 304 A 27 VAL HB A 48 LEU HA 1.0 0.0 6.5 336 305 A 89 ILE H A 27 VAL HB 1.0 0.0 6.5 337 306 A 27 VAL HB A 91 ALA H 1.0 0.0 6.5 338 307 A 35 VAL O A 27 VAL N 1.0 0.0 4.5 339 308 A 35 VAL H A 27 VAL O 1.0 0.0 4.5 340 309 A 27 VAL O A 35 VAL N 1.0 0.0 4.5 341 310 A 28 ARG H A 27 VAL HGx% 1.0 0.0 6.5 342 311 A 52 TYR H A 27 VAL HGx% 1.0 0.0 6.5 343 312 A 89 ILE H A 27 VAL HGx% 1.0 0.0 6.5 344 313 A 89 ILE HD1% A 27 VAL HGx% 1.0 0.0 6.5 345 314 A 27 VAL HGy% A 28 ARG H 1.0 0.0 6.5 346 315 A 27 VAL HGy% A 52 TYR H 1.0 0.0 6.5 347 316 A 89 ILE H A 27 VAL HGy% 1.0 0.0 6.5 348 317 A 27 VAL HGy% A 89 ILE HD1% 1.0 0.0 6.5 349 318 A 28 ARG H A 27 VAL HGx% 1.0 0.0 6.5 350 318 A 27 VAL HGy% A 28 ARG H 1.0 0.0 6.5 351 319 A 29 SER H A 27 VAL HGx% 1.0 0.0 6.5 352 319 A 29 SER H A 27 VAL HGy% 1.0 0.0 6.5 353 320 A 27 VAL HGx% A 34 GLU HB3 1.0 0.0 6.5 354 320 A 34 GLU HB2 A 27 VAL HGx% 1.0 0.0 6.5 355 320 A 34 GLU HB2 A 27 VAL HGy% 1.0 0.0 6.5 356 320 A 27 VAL HGy% A 34 GLU HB3 1.0 0.0 6.5 357 321 A 35 VAL H A 27 VAL HGx% 1.0 0.0 6.5 358 321 A 35 VAL H A 27 VAL HGy% 1.0 0.0 6.5 359 322 A 48 LEU H A 27 VAL HGx% 1.0 0.0 6.5 360 322 A 27 VAL HGy% A 48 LEU H 1.0 0.0 6.5 361 323 A 49 MET H A 27 VAL HGx% 1.0 0.0 6.5 362 323 A 27 VAL HGy% A 49 MET H 1.0 0.0 6.5 363 324 A 52 TYR H A 27 VAL HGx% 1.0 0.0 6.5 364 324 A 27 VAL HGy% A 52 TYR H 1.0 0.0 6.5 365 325 A 88 VAL H A 27 VAL HGx% 1.0 0.0 6.5 366 325 A 88 VAL H A 27 VAL HGy% 1.0 0.0 6.5 367 326 A 89 ILE H A 27 VAL HGx% 1.0 0.0 6.5 368 326 A 89 ILE H A 27 VAL HGy% 1.0 0.0 6.5 369 327 A 90 ASP H A 27 VAL HGx% 1.0 0.0 6.5 370 327 A 27 VAL HGy% A 90 ASP H 1.0 0.0 6.5 371 328 A 91 ALA H A 27 VAL HGx% 1.0 0.0 6.5 372 328 A 27 VAL HGy% A 91 ALA H 1.0 0.0 6.5 373 329 A 28 ARG H A 28 ARG HB2 1.0 0.0 5.0 374 330 A 28 ARG H A 28 ARG HB3 1.0 0.0 5.0 375 331 A 28 ARG H A 28 ARG HDy 1.0 0.0 6.5 376 332 A 28 ARG H A 28 ARG HDx 1.0 0.0 6.5 377 333 A 28 ARG H A 28 ARG HG2 1.0 0.0 6.5 378 334 A 28 ARG H A 28 ARG HG3 1.0 0.0 6.5 379 335 A 29 SER H A 28 ARG H 1.0 0.0 6.5 380 336 A 28 ARG H A 29 SER HBx 1.0 0.0 6.5 381 336 A 28 ARG H A 29 SER HBy 1.0 0.0 6.5 382 337 A 88 VAL HA A 28 ARG H 1.0 0.0 6.5 383 338 A 88 VAL HB A 28 ARG H 1.0 0.0 6.5 384 339 A 28 ARG H A 88 VAL HGx% 1.0 0.0 6.5 385 340 A 28 ARG H A 88 VAL HGy% 1.0 0.0 6.5 386 341 A 89 ILE H A 28 ARG H 1.0 0.0 5.5 387 342 A 28 ARG H A 89 ILE HA 1.0 0.0 6.5 388 343 A 28 ARG H A 89 ILE O 1.0 0.0 4.0 389 344 A 28 ARG H A 89 ILE HD1% 1.0 0.0 6.5 390 345 A 28 ARG H A 89 ILE HG2% 1.0 0.0 6.5 391 346 A 28 ARG H A 90 ASP HA 1.0 0.0 5.5 392 347 A 28 ARG H A 90 ASP HBy 1.0 0.0 6.5 393 348 A 28 ARG H A 90 ASP HBx 1.0 0.0 6.5 394 349 A 28 ARG H A 91 ALA H 1.0 0.0 6.5 395 350 A 28 ARG H A 91 ALA HB% 1.0 0.0 6.5 396 351 A 29 SER H A 28 ARG HA 1.0 0.0 5.0 397 352 A 28 ARG HA A 32 GLY H 1.0 0.0 6.5 398 353 A 28 ARG HA A 33 ALA H 1.0 0.0 6.5 399 354 A 35 VAL H A 28 ARG HA 1.0 0.0 6.5 400 355 A 90 ASP HA A 28 ARG HA 1.0 0.0 6.5 401 356 A 91 ALA H A 28 ARG HA 1.0 0.0 6.5 402 357 A 29 SER H A 28 ARG HB2 1.0 0.0 6.5 403 358 A 28 ARG HB2 A 31 ASP H 1.0 0.0 6.5 404 359 A 28 ARG HB2 A 90 ASP HA 1.0 0.0 6.5 405 360 A 91 ALA H A 28 ARG HB2 1.0 0.0 6.5 406 361 A 29 SER H A 28 ARG HB3 1.0 0.0 6.5 407 362 A 28 ARG HB3 A 31 ASP H 1.0 0.0 6.5 408 363 A 28 ARG HB3 A 90 ASP HA 1.0 0.0 5.0 409 364 A 91 ALA H A 28 ARG HB3 1.0 0.0 6.5 410 365 A 29 SER H A 28 ARG HDy 1.0 0.0 6.5 411 366 A 28 ARG HDy A 31 ASP H 1.0 0.0 6.5 412 367 A 28 ARG HDy A 32 GLY H 1.0 0.0 6.5 413 368 A 28 ARG HDy A 33 ALA H 1.0 0.0 6.5 414 369 A 29 SER H A 28 ARG HDx 1.0 0.0 6.5 415 370 A 28 ARG HDx A 31 ASP H 1.0 0.0 6.5 416 371 A 28 ARG HDx A 32 GLY H 1.0 0.0 6.5 417 372 A 28 ARG HDx A 33 ALA H 1.0 0.0 6.5 418 373 A 89 ILE H A 28 ARG HDx 1.0 0.0 6.5 419 374 A 91 ALA H A 28 ARG HDx 1.0 0.0 6.5 420 375 A 29 SER H A 28 ARG HG2 1.0 0.0 6.5 421 376 A 31 ASP HA A 28 ARG HG2 1.0 0.0 6.5 422 377 A 34 GLU HA A 28 ARG HG2 1.0 0.0 6.5 423 378 A 34 GLU HG2 A 28 ARG HG2 1.0 0.0 6.5 424 379 A 34 GLU HG3 A 28 ARG HG2 1.0 0.0 6.5 425 380 A 90 ASP HA A 28 ARG HG2 1.0 0.0 5.5 426 381 A 91 ALA H A 28 ARG HG2 1.0 0.0 6.5 427 382 A 29 SER H A 28 ARG HG3 1.0 0.0 6.5 428 383 A 31 ASP HA A 28 ARG HG3 1.0 0.0 6.5 429 384 A 34 GLU HA A 28 ARG HG3 1.0 0.0 6.5 430 385 A 34 GLU HG2 A 28 ARG HG3 1.0 0.0 6.5 431 386 A 34 GLU HG3 A 28 ARG HG3 1.0 0.0 5.5 432 387 A 35 VAL H A 28 ARG HG3 1.0 0.0 6.5 433 388 A 90 ASP HA A 28 ARG HG3 1.0 0.0 6.5 434 389 A 91 ALA H A 28 ARG HG3 1.0 0.0 6.5 435 390 A 89 ILE O A 28 ARG N 1.0 0.0 4.5 436 391 A 91 ALA H A 28 ARG O 1.0 0.0 4.0 437 392 A 28 ARG O A 91 ALA N 1.0 0.0 4.5 438 393 A 28 ARG HG2 A 32 GLY HAx 1.0 0.0 6.5 439 393 A 28 ARG HG3 A 32 GLY HAx 1.0 0.0 6.5 440 393 A 32 GLY HAy A 28 ARG HG3 1.0 0.0 6.5 441 393 A 28 ARG HG2 A 32 GLY HAy 1.0 0.0 6.5 442 394 A 28 ARG HG3 A 34 GLU HB3 1.0 0.0 6.5 443 394 A 28 ARG HG2 A 34 GLU HB3 1.0 0.0 6.5 444 394 A 34 GLU HB2 A 28 ARG HG3 1.0 0.0 6.5 445 394 A 34 GLU HB2 A 28 ARG HG2 1.0 0.0 6.5 446 395 A 29 SER H A 29 SER HA 1.0 0.0 5.0 447 396 A 29 SER H A 29 SER HBy 1.0 0.0 6.5 448 397 A 29 SER H A 29 SER HBx 1.0 0.0 6.5 449 398 A 29 SER H A 29 SER HBx 1.0 0.0 5.5 450 398 A 29 SER H A 29 SER HBy 1.0 0.0 5.5 451 399 A 29 SER H A 31 ASP H 1.0 0.0 6.5 452 400 A 29 SER H A 32 GLY H 1.0 0.0 6.5 453 401 A 29 SER H A 33 ALA H 1.0 0.0 6.5 454 402 A 29 SER H A 33 ALA O 1.0 0.0 4.5 455 403 A 34 GLU HA A 29 SER H 1.0 0.0 5.5 456 404 A 29 SER H A 34 GLU HB2 1.0 0.0 6.5 457 405 A 29 SER H A 34 GLU HB3 1.0 0.0 6.5 458 406 A 35 VAL H A 29 SER H 1.0 0.0 6.5 459 407 A 29 SER H A 91 ALA H 1.0 0.0 6.5 460 408 A 29 SER HA A 30 PRO HGy 1.0 0.0 6.5 461 408 A 29 SER HA A 30 PRO HGx 1.0 0.0 6.5 462 409 A 29 SER HA A 31 ASP H 1.0 0.0 6.5 463 410 A 34 GLU HA A 29 SER HA 1.0 0.0 6.5 464 411 A 29 SER HA A 90 ASP HBx 1.0 0.0 6.5 465 411 A 29 SER HA A 90 ASP HBy 1.0 0.0 6.5 466 412 A 29 SER HA A 91 ALA H 1.0 0.0 6.5 467 413 A 33 ALA O A 29 SER N 1.0 0.0 4.5 468 414 A 31 ASP H A 29 SER HBx 1.0 0.0 6.5 469 414 A 29 SER HBy A 31 ASP H 1.0 0.0 6.5 470 415 A 91 ALA H A 29 SER HBx 1.0 0.0 6.5 471 415 A 29 SER HBy A 91 ALA H 1.0 0.0 6.5 472 416 A 91 ALA H A 30 PRO HB2 1.0 0.0 6.5 473 417 A 91 ALA H A 30 PRO HB3 1.0 0.0 6.5 474 418 A 31 ASP H A 31 ASP HBy 1.0 0.0 6.5 475 419 A 31 ASP H A 31 ASP HBx 1.0 0.0 6.5 476 420 A 31 ASP H A 31 ASP HBx 1.0 0.0 5.5 477 420 A 31 ASP H A 31 ASP HBy 1.0 0.0 5.5 478 421 A 32 GLY H A 31 ASP H 1.0 0.0 5.5 479 422 A 31 ASP H A 32 GLY HAx 1.0 0.0 6.5 480 422 A 31 ASP H A 32 GLY HAy 1.0 0.0 6.5 481 423 A 33 ALA H A 31 ASP H 1.0 0.0 6.5 482 424 A 31 ASP H A 33 ALA HB% 1.0 0.0 6.5 483 425 A 33 ALA H A 31 ASP HA 1.0 0.0 6.5 484 426 A 32 GLY H A 31 ASP HBy 1.0 0.0 6.5 485 427 A 33 ALA H A 31 ASP HBy 1.0 0.0 6.5 486 428 A 32 GLY H A 31 ASP HBx 1.0 0.0 6.5 487 429 A 33 ALA H A 31 ASP HBx 1.0 0.0 6.5 488 430 A 32 GLY H A 31 ASP HBx 1.0 0.0 6.5 489 430 A 32 GLY H A 31 ASP HBy 1.0 0.0 6.5 490 431 A 33 ALA H A 31 ASP HBx 1.0 0.0 6.5 491 431 A 33 ALA H A 31 ASP HBy 1.0 0.0 6.5 492 432 A 32 GLY H A 33 ALA H 1.0 0.0 5.5 493 433 A 32 GLY H A 33 ALA HB% 1.0 0.0 6.5 494 434 A 34 GLU HB2 A 32 GLY H 1.0 0.0 6.5 495 435 A 33 ALA H A 32 GLY HAy 1.0 0.0 5.5 496 436 A 33 ALA H A 32 GLY HAx 1.0 0.0 5.5 497 437 A 33 ALA H A 32 GLY HAx 1.0 0.0 5.5 498 437 A 33 ALA H A 32 GLY HAy 1.0 0.0 5.5 499 438 A 34 GLU H A 32 GLY HAx 1.0 0.0 6.5 500 438 A 32 GLY HAy A 34 GLU H 1.0 0.0 6.5 501 439 A 33 ALA H A 33 ALA HB% 1.0 0.0 6.5 502 440 A 33 ALA H A 34 GLU H 1.0 0.0 6.5 503 441 A 34 GLU H A 33 ALA HA 1.0 0.0 5.5 504 442 A 33 ALA HB% A 34 GLU H 1.0 0.0 6.5 505 443 A 34 GLU HB2 A 34 GLU H 1.0 0.0 5.5 506 444 A 34 GLU H A 34 GLU HB3 1.0 0.0 5.5 507 445 A 34 GLU HG2 A 34 GLU H 1.0 0.0 6.5 508 446 A 34 GLU HG3 A 34 GLU H 1.0 0.0 6.5 509 447 A 35 VAL H A 34 GLU H 1.0 0.0 6.5 510 448 A 34 GLU HA A 35 VAL H 1.0 0.0 5.5 511 449 A 34 GLU HA A 35 VAL HA 1.0 0.0 6.5 512 450 A 35 VAL H A 35 VAL HB 1.0 0.0 5.5 513 451 A 35 VAL H A 35 VAL HGx% 1.0 0.0 6.5 514 452 A 35 VAL H A 35 VAL HGy% 1.0 0.0 6.5 515 453 A 35 VAL H A 35 VAL HGx% 1.0 0.0 6.5 516 453 A 35 VAL H A 35 VAL HGy% 1.0 0.0 6.5 517 454 A 35 VAL H A 36 PHE H 1.0 0.0 6.5 518 455 A 36 PHE H A 35 VAL HA 1.0 0.0 5.5 519 456 A 36 PHE H A 35 VAL HB 1.0 0.0 6.5 520 457 A 36 PHE H A 35 VAL HGx% 1.0 0.0 6.5 521 458 A 36 PHE H A 35 VAL HGy% 1.0 0.0 6.5 522 459 A 36 PHE H A 35 VAL HGx% 1.0 0.0 6.5 523 459 A 36 PHE H A 35 VAL HGy% 1.0 0.0 6.5 524 460 A 36 PHE HB2 A 36 PHE H 1.0 0.0 5.5 525 461 A 36 PHE HB3 A 36 PHE H 1.0 0.0 5.5 526 462 A 37 PHE H A 36 PHE H 1.0 0.0 6.5 527 463 A 37 PHE H A 36 PHE HA 1.0 0.0 5.5 528 464 A 37 PHE H A 36 PHE HB2 1.0 0.0 6.5 529 465 A 37 PHE H A 36 PHE HB3 1.0 0.0 6.5 530 466 A 37 PHE H A 37 PHE HBy 1.0 0.0 6.5 531 467 A 37 PHE H A 37 PHE HBx 1.0 0.0 6.5 532 468 A 37 PHE H A 38 LYS H 1.0 0.0 6.5 533 469 A 37 PHE H A 48 LEU HDy% 1.0 0.0 6.5 534 470 A 37 PHE H A 48 LEU HDx% 1.0 0.0 6.5 535 470 A 37 PHE H A 48 LEU HDy% 1.0 0.0 6.5 536 471 A 38 LYS H A 37 PHE HA 1.0 0.0 5.5 537 472 A 37 PHE HA A 48 LEU HDx% 1.0 0.0 6.5 538 472 A 48 LEU HDy% A 37 PHE HA 1.0 0.0 6.5 539 473 A 38 LYS H A 37 PHE HBy 1.0 0.0 6.5 540 474 A 38 LYS H A 37 PHE HBx 1.0 0.0 6.5 541 475 A 37 PHE HBy A 48 LEU HDx% 1.0 0.0 6.5 542 475 A 37 PHE HBx A 48 LEU HDx% 1.0 0.0 6.5 543 475 A 48 LEU HDy% A 37 PHE HBy 1.0 0.0 6.5 544 475 A 37 PHE HBx A 48 LEU HDy% 1.0 0.0 6.5 545 476 A 38 LYS HBy A 38 LYS H 1.0 0.0 6.5 546 477 A 38 LYS HBx A 38 LYS H 1.0 0.0 6.5 547 478 A 38 LYS H A 38 LYS HD2 1.0 0.0 6.5 548 479 A 38 LYS H A 38 LYS HD3 1.0 0.0 6.5 549 480 A 38 LYS H A 38 LYS HE2 1.0 0.0 6.5 550 481 A 38 LYS H A 38 LYS HE3 1.0 0.0 6.5 551 482 A 38 LYS H A 38 LYS HG2 1.0 0.0 6.5 552 483 A 38 LYS H A 38 LYS HG3 1.0 0.0 6.5 553 484 A 39 ILE H A 38 LYS H 1.0 0.0 6.5 554 485 A 38 LYS H A 48 LEU HG 1.0 0.0 6.5 555 486 A 38 LYS H A 48 LEU HDx% 1.0 0.0 6.5 556 486 A 38 LYS H A 48 LEU HDy% 1.0 0.0 6.5 557 487 A 39 ILE H A 38 LYS HA 1.0 0.0 5.5 558 488 A 39 ILE H A 38 LYS HBy 1.0 0.0 6.5 559 489 A 39 ILE H A 38 LYS HBx 1.0 0.0 6.5 560 490 A 39 ILE H A 38 LYS HG2 1.0 0.0 6.5 561 491 A 39 ILE H A 38 LYS HG3 1.0 0.0 6.5 562 492 A 39 ILE H A 39 ILE HG12 1.0 0.0 6.5 563 493 A 39 ILE H A 39 ILE HG13 1.0 0.0 6.5 564 494 A 39 ILE H A 39 ILE HD1% 1.0 0.0 6.5 565 495 A 39 ILE H A 39 ILE HG2% 1.0 0.0 6.5 566 496 A 39 ILE H A 40 LYS H 1.0 0.0 6.5 567 497 A 39 ILE HA A 40 LYS H 1.0 0.0 5.5 568 498 A 39 ILE HA A 48 LEU HA 1.0 0.0 6.5 569 499 A 39 ILE HA A 48 LEU HDx% 1.0 0.0 6.5 570 499 A 39 ILE HA A 48 LEU HDy% 1.0 0.0 6.5 571 500 A 39 ILE HB A 40 LYS H 1.0 0.0 6.5 572 501 A 39 ILE HB A 48 LEU HDx% 1.0 0.0 6.5 573 501 A 39 ILE HB A 48 LEU HDy% 1.0 0.0 6.5 574 502 A 39 ILE HG12 A 40 LYS H 1.0 0.0 6.5 575 503 A 39 ILE HG12 A 48 LEU HA 1.0 0.0 6.5 576 504 A 39 ILE HG13 A 40 LYS H 1.0 0.0 6.5 577 505 A 39 ILE HG13 A 48 LEU HA 1.0 0.0 6.5 578 506 A 39 ILE HD1% A 40 LYS H 1.0 0.0 6.5 579 507 A 39 ILE HD1% A 43 THR HB 1.0 0.0 6.5 580 508 A 39 ILE HD1% A 44 LYS H 1.0 0.0 6.5 581 509 A 39 ILE HD1% A 48 LEU HA 1.0 0.0 6.5 582 510 A 39 ILE HG2% A 40 LYS H 1.0 0.0 6.5 583 511 A 39 ILE HG2% A 48 LEU HA 1.0 0.0 6.5 584 512 A 40 LYS H A 41 ARG H 1.0 0.0 6.5 585 513 A 40 LYS H A 43 THR H 1.0 0.0 6.5 586 514 A 40 LYS H A 43 THR HA 1.0 0.0 6.5 587 515 A 40 LYS H A 43 THR HB 1.0 0.0 6.5 588 516 A 40 LYS H A 43 THR HG2% 1.0 0.0 6.5 589 517 A 40 LYS HA A 41 ARG H 1.0 0.0 6.5 590 518 A 41 ARG H A 43 THR H 1.0 0.0 6.5 591 519 A 43 THR H A 42 LYS HB2 1.0 0.0 6.5 592 520 A 44 LYS H A 42 LYS HB2 1.0 0.0 6.5 593 521 A 43 THR H A 42 LYS HB3 1.0 0.0 6.5 594 522 A 44 LYS H A 42 LYS HB3 1.0 0.0 6.5 595 523 A 43 THR H A 42 LYS HD2 1.0 0.0 6.5 596 524 A 43 THR H A 42 LYS HD3 1.0 0.0 6.5 597 525 A 43 THR H A 42 LYS HG2 1.0 0.0 6.5 598 526 A 43 THR H A 42 LYS HG3 1.0 0.0 6.5 599 527 A 43 THR HB A 43 THR H 1.0 0.0 6.5 600 528 A 43 THR H A 43 THR HG2% 1.0 0.0 6.5 601 529 A 44 LYS H A 43 THR H 1.0 0.0 6.5 602 530 A 44 LYS H A 43 THR HA 1.0 0.0 5.5 603 531 A 43 THR HB A 44 LYS H 1.0 0.0 6.5 604 532 A 43 THR HB A 47 LYS HA 1.0 0.0 6.5 605 533 A 43 THR HB A 47 LYS HB2 1.0 0.0 6.5 606 534 A 43 THR HB A 47 LYS HB3 1.0 0.0 6.5 607 535 A 44 LYS H A 43 THR HG2% 1.0 0.0 6.5 608 536 A 43 THR HG2% A 47 LYS HB2 1.0 0.0 6.5 609 537 A 43 THR HG2% A 47 LYS HB3 1.0 0.0 6.5 610 538 A 44 LYS H A 44 LYS HB2 1.0 0.0 6.5 611 539 A 44 LYS H A 44 LYS HB3 1.0 0.0 6.5 612 540 A 44 LYS H A 44 LYS HD2 1.0 0.0 6.5 613 541 A 44 LYS H A 44 LYS HD3 1.0 0.0 6.5 614 542 A 44 LYS H A 44 LYS HE2 1.0 0.0 6.5 615 543 A 44 LYS H A 44 LYS HE3 1.0 0.0 6.5 616 544 A 44 LYS H A 44 LYS HG2 1.0 0.0 6.5 617 545 A 44 LYS H A 44 LYS HG3 1.0 0.0 6.5 618 546 A 44 LYS H A 44 LYS HG2 1.0 0.0 5.5 619 546 A 44 LYS H A 44 LYS HG3 1.0 0.0 5.5 620 547 A 44 LYS H A 45 LEU H 1.0 0.0 6.5 621 548 A 44 LYS H A 46 GLU H 1.0 0.0 6.5 622 549 A 44 LYS H A 47 LYS H 1.0 0.0 6.5 623 550 A 44 LYS H A 75 ASP HA 1.0 0.0 6.5 624 551 A 44 LYS H A 77 THR HB 1.0 0.0 6.5 625 552 A 44 LYS H A 77 THR HG2% 1.0 0.0 6.5 626 553 A 45 LEU H A 44 LYS HA 1.0 0.0 5.5 627 554 A 48 LEU HG A 44 LYS HA 1.0 0.0 6.5 628 555 A 44 LYS HA A 77 THR H 1.0 0.0 6.5 629 556 A 44 LYS HA A 77 THR HA 1.0 0.0 6.5 630 557 A 77 THR HB A 44 LYS HA 1.0 0.0 6.5 631 558 A 77 THR HG2% A 44 LYS HA 1.0 0.0 6.5 632 559 A 44 LYS HB2 A 45 LEU H 1.0 0.0 6.5 633 560 A 44 LYS HB2 A 46 GLU H 1.0 0.0 6.5 634 561 A 44 LYS HB3 A 45 LEU H 1.0 0.0 6.5 635 562 A 44 LYS HB3 A 46 GLU H 1.0 0.0 6.5 636 563 A 44 LYS HD2 A 45 LEU H 1.0 0.0 6.5 637 564 A 44 LYS HD3 A 45 LEU H 1.0 0.0 6.5 638 565 A 44 LYS HE2 A 46 GLU H 1.0 0.0 6.5 639 566 A 44 LYS HE3 A 46 GLU H 1.0 0.0 6.5 640 567 A 45 LEU H A 44 LYS HG2 1.0 0.0 6.5 641 567 A 44 LYS HG3 A 45 LEU H 1.0 0.0 6.5 642 568 A 46 GLU H A 44 LYS HG2 1.0 0.0 6.5 643 568 A 44 LYS HG3 A 46 GLU H 1.0 0.0 6.5 644 569 A 45 LEU H A 45 LEU HBy 1.0 0.0 6.5 645 570 A 45 LEU H A 45 LEU HBx 1.0 0.0 6.5 646 571 A 45 LEU H A 45 LEU HG 1.0 0.0 6.5 647 572 A 45 LEU H A 45 LEU HDx% 1.0 0.0 6.5 648 573 A 45 LEU H A 45 LEU HDy% 1.0 0.0 6.5 649 574 A 45 LEU H A 45 LEU HDx% 1.0 0.0 6.5 650 574 A 45 LEU H A 45 LEU HDy% 1.0 0.0 6.5 651 575 A 45 LEU H A 46 GLU H 1.0 0.0 5.5 652 576 A 45 LEU H A 47 LYS H 1.0 0.0 6.5 653 577 A 48 LEU H A 45 LEU H 1.0 0.0 6.5 654 578 A 45 LEU H A 74 GLY HAx 1.0 0.0 6.5 655 578 A 45 LEU H A 74 GLY HAy 1.0 0.0 6.5 656 579 A 45 LEU H A 75 ASP HA 1.0 0.0 6.5 657 580 A 45 LEU H A 75 ASP HB3 1.0 0.0 6.5 658 580 A 45 LEU H A 75 ASP HB2 1.0 0.0 6.5 659 581 A 45 LEU H A 76 ASN H 1.0 0.0 6.5 660 582 A 45 LEU H A 77 THR H 1.0 0.0 6.5 661 583 A 45 LEU H A 77 THR HA 1.0 0.0 6.5 662 584 A 45 LEU H A 77 THR HB 1.0 0.0 6.5 663 585 A 45 LEU H A 77 THR HG2% 1.0 0.0 6.5 664 586 A 47 LYS H A 45 LEU HA 1.0 0.0 6.5 665 587 A 48 LEU H A 45 LEU HA 1.0 0.0 6.5 666 588 A 49 MET H A 45 LEU HA 1.0 0.0 6.5 667 589 A 46 GLU H A 45 LEU HBy 1.0 0.0 6.5 668 590 A 77 THR H A 45 LEU HBy 1.0 0.0 6.5 669 591 A 46 GLU H A 45 LEU HBx 1.0 0.0 6.5 670 592 A 77 THR H A 45 LEU HBx 1.0 0.0 6.5 671 593 A 46 GLU H A 45 LEU HG 1.0 0.0 6.5 672 594 A 46 GLU H A 45 LEU HBx 1.0 0.0 5.5 673 594 A 46 GLU H A 45 LEU HBy 1.0 0.0 5.5 674 595 A 47 LYS H A 45 LEU HBx 1.0 0.0 6.5 675 595 A 47 LYS H A 45 LEU HBy 1.0 0.0 6.5 676 596 A 48 LEU HA A 45 LEU HBx 1.0 0.0 6.5 677 596 A 48 LEU HA A 45 LEU HBy 1.0 0.0 6.5 678 597 A 49 MET H A 45 LEU HBx 1.0 0.0 6.5 679 597 A 49 MET H A 45 LEU HBy 1.0 0.0 6.5 680 598 A 74 GLY H A 45 LEU HBx 1.0 0.0 6.5 681 598 A 45 LEU HBy A 74 GLY H 1.0 0.0 6.5 682 599 A 45 LEU HBx A 74 GLY HAx 1.0 0.0 5.5 683 599 A 45 LEU HBy A 74 GLY HAx 1.0 0.0 5.5 684 599 A 74 GLY HAy A 45 LEU HBx 1.0 0.0 5.5 685 599 A 74 GLY HAy A 45 LEU HBy 1.0 0.0 5.5 686 600 A 75 ASP H A 45 LEU HBx 1.0 0.0 6.5 687 600 A 45 LEU HBy A 75 ASP H 1.0 0.0 6.5 688 601 A 76 ASN H A 45 LEU HBx 1.0 0.0 6.5 689 601 A 76 ASN H A 45 LEU HBy 1.0 0.0 6.5 690 602 A 77 THR H A 45 LEU HBx 1.0 0.0 6.5 691 602 A 77 THR H A 45 LEU HBy 1.0 0.0 6.5 692 603 A 46 GLU H A 45 LEU HDx% 1.0 0.0 6.5 693 604 A 77 THR HA A 45 LEU HDx% 1.0 0.0 6.5 694 605 A 46 GLU H A 45 LEU HDy% 1.0 0.0 6.5 695 606 A 77 THR HA A 45 LEU HDy% 1.0 0.0 6.5 696 607 A 47 LYS H A 45 LEU HDx% 1.0 0.0 6.5 697 607 A 47 LYS H A 45 LEU HDy% 1.0 0.0 6.5 698 608 A 48 LEU H A 45 LEU HDx% 1.0 0.0 6.5 699 608 A 48 LEU H A 45 LEU HDy% 1.0 0.0 6.5 700 609 A 49 MET H A 45 LEU HDx% 1.0 0.0 6.5 701 609 A 49 MET H A 45 LEU HDy% 1.0 0.0 6.5 702 610 A 77 THR H A 45 LEU HDx% 1.0 0.0 6.5 703 610 A 77 THR H A 45 LEU HDy% 1.0 0.0 6.5 704 611 A 46 GLU H A 46 GLU HA 1.0 0.0 5.0 705 612 A 46 GLU H A 46 GLU HB2 1.0 0.0 6.5 706 613 A 46 GLU H A 46 GLU HB3 1.0 0.0 6.5 707 614 A 46 GLU H A 46 GLU HG2 1.0 0.0 6.5 708 615 A 46 GLU H A 46 GLU HG3 1.0 0.0 5.5 709 616 A 46 GLU H A 47 LYS H 1.0 0.0 6.5 710 617 A 48 LEU H A 46 GLU H 1.0 0.0 6.5 711 618 A 49 MET H A 46 GLU H 1.0 0.0 6.5 712 619 A 46 GLU H A 74 GLY H 1.0 0.0 6.5 713 620 A 46 GLU H A 74 GLY HAy 1.0 0.0 6.5 714 621 A 46 GLU H A 74 GLY HAx 1.0 0.0 6.5 715 622 A 46 GLU H A 74 GLY HAx 1.0 0.0 5.5 716 622 A 46 GLU H A 74 GLY HAy 1.0 0.0 5.5 717 623 A 46 GLU H A 75 ASP HA 1.0 0.0 6.5 718 624 A 46 GLU H A 75 ASP HB3 1.0 0.0 6.5 719 624 A 46 GLU H A 75 ASP HB2 1.0 0.0 6.5 720 625 A 49 MET H A 46 GLU HA 1.0 0.0 6.5 721 626 A 46 GLU HA A 49 MET HA 1.0 0.0 6.5 722 627 A 46 GLU HA A 50 GLU H 1.0 0.0 6.5 723 628 A 46 GLU HA A 74 GLY HAx 1.0 0.0 5.0 724 628 A 74 GLY HAy A 46 GLU HA 1.0 0.0 5.0 725 629 A 74 GLY H A 46 GLU HB2 1.0 0.0 6.5 726 630 A 74 GLY HAy A 46 GLU HB2 1.0 0.0 6.5 727 631 A 46 GLU HB2 A 74 GLY HAx 1.0 0.0 6.5 728 632 A 74 GLY H A 46 GLU HB3 1.0 0.0 6.5 729 633 A 74 GLY HAy A 46 GLU HB3 1.0 0.0 6.5 730 634 A 46 GLU HB3 A 74 GLY HAx 1.0 0.0 6.5 731 635 A 74 GLY H A 46 GLU HG2 1.0 0.0 5.5 732 636 A 74 GLY HAy A 46 GLU HG2 1.0 0.0 6.5 733 637 A 46 GLU HG2 A 74 GLY HAx 1.0 0.0 6.5 734 638 A 74 GLY H A 46 GLU HG3 1.0 0.0 6.5 735 639 A 74 GLY HAy A 46 GLU HG3 1.0 0.0 6.5 736 640 A 46 GLU HG3 A 74 GLY HAx 1.0 0.0 6.5 737 641 A 46 GLU HB3 A 74 GLY HAx 1.0 0.0 5.5 738 641 A 46 GLU HB2 A 74 GLY HAx 1.0 0.0 5.5 739 641 A 74 GLY HAy A 46 GLU HB3 1.0 0.0 5.5 740 641 A 74 GLY HAy A 46 GLU HB2 1.0 0.0 5.5 741 642 A 46 GLU HG3 A 74 GLY HAx 1.0 0.0 5.0 742 642 A 46 GLU HG2 A 74 GLY HAx 1.0 0.0 5.0 743 642 A 74 GLY HAy A 46 GLU HG3 1.0 0.0 5.0 744 642 A 74 GLY HAy A 46 GLU HG2 1.0 0.0 5.0 745 643 A 47 LYS HB2 A 47 LYS H 1.0 0.0 6.5 746 644 A 47 LYS HB3 A 47 LYS H 1.0 0.0 6.5 747 645 A 47 LYS H A 47 LYS HDy 1.0 0.0 6.5 748 646 A 47 LYS H A 47 LYS HDx 1.0 0.0 6.5 749 647 A 47 LYS H A 47 LYS HE2 1.0 0.0 6.5 750 648 A 47 LYS H A 47 LYS HE3 1.0 0.0 6.5 751 649 A 47 LYS H A 47 LYS HGx 1.0 0.0 5.5 752 650 A 47 LYS H A 47 LYS HGy 1.0 0.0 5.5 753 651 A 48 LEU H A 47 LYS H 1.0 0.0 5.5 754 652 A 49 MET H A 47 LYS H 1.0 0.0 6.5 755 653 A 49 MET H A 47 LYS HA 1.0 0.0 6.5 756 654 A 47 LYS HA A 50 GLU H 1.0 0.0 5.5 757 655 A 47 LYS HA A 51 VAL H 1.0 0.0 5.5 758 656 A 48 LEU H A 47 LYS HB2 1.0 0.0 6.5 759 657 A 49 MET H A 47 LYS HB2 1.0 0.0 6.5 760 658 A 47 LYS HB2 A 50 GLU H 1.0 0.0 6.5 761 659 A 47 LYS HB2 A 51 VAL H 1.0 0.0 6.5 762 660 A 48 LEU H A 47 LYS HB3 1.0 0.0 6.5 763 661 A 49 MET H A 47 LYS HB3 1.0 0.0 6.5 764 662 A 47 LYS HB3 A 50 GLU H 1.0 0.0 6.5 765 663 A 47 LYS HB3 A 51 VAL H 1.0 0.0 6.5 766 664 A 48 LEU H A 47 LYS HDy 1.0 0.0 6.5 767 665 A 49 MET H A 47 LYS HDy 1.0 0.0 6.5 768 666 A 50 GLU H A 47 LYS HDy 1.0 0.0 6.5 769 667 A 47 LYS HDy A 51 VAL H 1.0 0.0 6.5 770 668 A 48 LEU H A 47 LYS HDx 1.0 0.0 6.5 771 669 A 49 MET H A 47 LYS HDx 1.0 0.0 6.5 772 670 A 50 GLU H A 47 LYS HDx 1.0 0.0 6.5 773 671 A 47 LYS HDx A 51 VAL H 1.0 0.0 6.5 774 672 A 47 LYS HGx A 51 VAL H 1.0 0.0 6.5 775 673 A 47 LYS HGy A 51 VAL H 1.0 0.0 6.5 776 674 A 48 LEU H A 48 LEU HB2 1.0 0.0 6.5 777 675 A 48 LEU H A 48 LEU HB3 1.0 0.0 6.5 778 676 A 48 LEU H A 48 LEU HG 1.0 0.0 6.5 779 677 A 48 LEU H A 48 LEU HDx% 1.0 0.0 6.5 780 678 A 48 LEU HDy% A 48 LEU H 1.0 0.0 6.5 781 679 A 48 LEU H A 49 MET H 1.0 0.0 5.5 782 680 A 48 LEU H A 50 GLU H 1.0 0.0 6.5 783 681 A 48 LEU H A 51 VAL H 1.0 0.0 6.5 784 682 A 48 LEU HA A 50 GLU H 1.0 0.0 6.5 785 683 A 48 LEU HA A 51 VAL H 1.0 0.0 6.5 786 684 A 48 LEU HA A 51 VAL HA 1.0 0.0 6.5 787 685 A 48 LEU HA A 51 VAL HB 1.0 0.0 6.5 788 686 A 48 LEU HA A 51 VAL HGx% 1.0 0.0 6.5 789 686 A 48 LEU HA A 51 VAL HGy% 1.0 0.0 6.5 790 687 A 48 LEU HA A 52 TYR H 1.0 0.0 6.5 791 688 A 48 LEU HA A 52 TYR HBx 1.0 0.0 6.5 792 688 A 48 LEU HA A 52 TYR HBy 1.0 0.0 6.5 793 689 A 49 MET H A 48 LEU HB2 1.0 0.0 6.5 794 690 A 50 GLU H A 48 LEU HB2 1.0 0.0 6.5 795 691 A 49 MET H A 48 LEU HB3 1.0 0.0 6.5 796 692 A 50 GLU H A 48 LEU HB3 1.0 0.0 6.5 797 693 A 52 TYR H A 48 LEU HB3 1.0 0.0 6.5 798 694 A 49 MET H A 48 LEU HG 1.0 0.0 6.5 799 695 A 48 LEU HG A 50 GLU H 1.0 0.0 6.5 800 696 A 49 MET H A 48 LEU HDx% 1.0 0.0 6.5 801 697 A 48 LEU HDy% A 49 MET H 1.0 0.0 6.5 802 698 A 48 LEU HDy% A 52 TYR H 1.0 0.0 6.5 803 699 A 50 GLU H A 48 LEU HDx% 1.0 0.0 6.5 804 699 A 48 LEU HDy% A 50 GLU H 1.0 0.0 6.5 805 700 A 51 VAL H A 48 LEU HDx% 1.0 0.0 6.5 806 700 A 48 LEU HDy% A 51 VAL H 1.0 0.0 6.5 807 701 A 52 TYR H A 48 LEU HDx% 1.0 0.0 6.5 808 701 A 48 LEU HDy% A 52 TYR H 1.0 0.0 6.5 809 702 A 49 MET H A 49 MET HGx 1.0 0.0 6.5 810 703 A 49 MET H A 49 MET HGy 1.0 0.0 6.5 811 704 A 49 MET H A 50 GLU H 1.0 0.0 5.5 812 705 A 49 MET H A 51 VAL H 1.0 0.0 6.5 813 706 A 52 TYR H A 49 MET H 1.0 0.0 6.5 814 707 A 49 MET HA A 50 GLU H 1.0 0.0 6.5 815 708 A 49 MET HA A 51 VAL H 1.0 0.0 6.5 816 709 A 52 TYR H A 49 MET HA 1.0 0.0 6.5 817 710 A 49 MET HA A 52 TYR HBx 1.0 0.0 6.5 818 710 A 49 MET HA A 52 TYR HBy 1.0 0.0 6.5 819 711 A 50 GLU H A 49 MET HB2 1.0 0.0 6.5 820 712 A 50 GLU H A 49 MET HB3 1.0 0.0 6.5 821 713 A 50 GLU H A 49 MET HGx 1.0 0.0 6.5 822 714 A 51 VAL H A 49 MET HGx 1.0 0.0 6.5 823 715 A 52 TYR H A 49 MET HGx 1.0 0.0 6.5 824 716 A 50 GLU H A 49 MET HGy 1.0 0.0 6.5 825 717 A 51 VAL H A 49 MET HGy 1.0 0.0 6.5 826 718 A 52 TYR H A 49 MET HGy 1.0 0.0 6.5 827 719 A 50 GLU H A 49 MET HB3 1.0 0.0 6.5 828 719 A 50 GLU H A 49 MET HB2 1.0 0.0 6.5 829 720 A 50 GLU H A 50 GLU HA 1.0 0.0 5.5 830 721 A 50 GLU H A 50 GLU HBy 1.0 0.0 6.5 831 722 A 50 GLU H A 50 GLU HBx 1.0 0.0 6.5 832 723 A 50 GLU H A 50 GLU HGx 1.0 0.0 6.5 833 724 A 50 GLU H A 50 GLU HGy 1.0 0.0 6.5 834 725 A 50 GLU H A 51 VAL H 1.0 0.0 6.5 835 726 A 52 TYR H A 50 GLU H 1.0 0.0 6.5 836 727 A 50 GLU H A 53 CYS H 1.0 0.0 6.5 837 728 A 51 VAL H A 50 GLU HA 1.0 0.0 6.5 838 729 A 52 TYR H A 50 GLU HA 1.0 0.0 6.5 839 730 A 50 GLU HA A 53 CYS H 1.0 0.0 5.5 840 731 A 50 GLU HA A 53 CYS HA 1.0 0.0 6.5 841 732 A 50 GLU HA A 53 CYS HBy 1.0 0.0 5.5 842 733 A 50 GLU HA A 53 CYS HBx 1.0 0.0 5.5 843 734 A 50 GLU HA A 53 CYS HBx 1.0 0.0 5.0 844 734 A 50 GLU HA A 53 CYS HBy 1.0 0.0 5.0 845 735 A 50 GLU HA A 54 ASN H 1.0 0.0 6.5 846 736 A 53 CYS H A 50 GLU HBy 1.0 0.0 6.5 847 737 A 53 CYS HBy A 50 GLU HBy 1.0 0.0 6.5 848 738 A 50 GLU HBy A 53 CYS HBx 1.0 0.0 6.5 849 739 A 54 ASN H A 50 GLU HBy 1.0 0.0 6.5 850 740 A 53 CYS H A 50 GLU HBx 1.0 0.0 6.5 851 741 A 53 CYS HA A 50 GLU HBx 1.0 0.0 6.5 852 742 A 53 CYS HBy A 50 GLU HBx 1.0 0.0 6.5 853 743 A 50 GLU HBx A 53 CYS HBx 1.0 0.0 6.5 854 744 A 54 ASN H A 50 GLU HBx 1.0 0.0 6.5 855 745 A 51 VAL H A 50 GLU HGx 1.0 0.0 6.5 856 746 A 51 VAL H A 50 GLU HGy 1.0 0.0 6.5 857 747 A 52 TYR H A 50 GLU HBx 1.0 0.0 6.5 858 747 A 52 TYR H A 50 GLU HBy 1.0 0.0 6.5 859 748 A 50 GLU HBx A 53 CYS HBx 1.0 0.0 6.5 860 748 A 50 GLU HBy A 53 CYS HBx 1.0 0.0 6.5 861 748 A 53 CYS HBy A 50 GLU HBx 1.0 0.0 6.5 862 748 A 53 CYS HBy A 50 GLU HBy 1.0 0.0 6.5 863 749 A 51 VAL H A 51 VAL HB 1.0 0.0 5.5 864 750 A 51 VAL H A 51 VAL HGx% 1.0 0.0 6.5 865 751 A 51 VAL H A 51 VAL HGy% 1.0 0.0 6.5 866 752 A 52 TYR H A 51 VAL H 1.0 0.0 5.5 867 753 A 51 VAL H A 53 CYS H 1.0 0.0 6.5 868 754 A 51 VAL H A 54 ASN H 1.0 0.0 6.5 869 755 A 51 VAL HA A 53 CYS H 1.0 0.0 6.5 870 756 A 51 VAL HA A 54 ASN H 1.0 0.0 6.5 871 757 A 51 VAL HA A 54 ASN HBy 1.0 0.0 6.5 872 758 A 51 VAL HA A 54 ASN HBx 1.0 0.0 6.5 873 759 A 51 VAL HA A 55 ARG H 1.0 0.0 6.5 874 760 A 52 TYR H A 51 VAL HB 1.0 0.0 6.5 875 761 A 52 TYR H A 51 VAL HGx% 1.0 0.0 6.5 876 762 A 53 CYS H A 51 VAL HGx% 1.0 0.0 6.5 877 763 A 54 ASN H A 51 VAL HGx% 1.0 0.0 6.5 878 764 A 55 ARG H A 51 VAL HGx% 1.0 0.0 6.5 879 765 A 52 TYR H A 51 VAL HGy% 1.0 0.0 6.5 880 766 A 51 VAL HGy% A 53 CYS H 1.0 0.0 6.5 881 767 A 51 VAL HGy% A 54 ASN H 1.0 0.0 6.5 882 768 A 52 TYR H A 52 TYR HA 1.0 0.0 5.5 883 769 A 52 TYR H A 52 TYR HBx 1.0 0.0 5.5 884 769 A 52 TYR H A 52 TYR HBy 1.0 0.0 5.5 885 770 A 52 TYR H A 53 CYS H 1.0 0.0 5.0 886 771 A 52 TYR H A 54 ASN H 1.0 0.0 6.5 887 772 A 53 CYS H A 52 TYR HA 1.0 0.0 5.5 888 773 A 54 ASN H A 52 TYR HA 1.0 0.0 6.5 889 774 A 55 ARG H A 52 TYR HA 1.0 0.0 6.5 890 775 A 52 TYR HA A 56 LEU H 1.0 0.0 6.5 891 776 A 52 TYR HBy A 54 ASN H 1.0 0.0 6.5 892 777 A 54 ASN H A 52 TYR HBx 1.0 0.0 6.5 893 778 A 53 CYS H A 52 TYR HBx 1.0 0.0 5.5 894 778 A 52 TYR HBy A 53 CYS H 1.0 0.0 5.5 895 779 A 54 ASN H A 52 TYR HBx 1.0 0.0 6.5 896 779 A 52 TYR HBy A 54 ASN H 1.0 0.0 6.5 897 780 A 55 ARG H A 52 TYR HBx 1.0 0.0 6.5 898 780 A 52 TYR HBy A 55 ARG H 1.0 0.0 6.5 899 781 A 55 ARG HA A 52 TYR HBx 1.0 0.0 6.5 900 781 A 52 TYR HBy A 55 ARG HA 1.0 0.0 6.5 901 782 A 56 LEU H A 52 TYR HBx 1.0 0.0 6.5 902 782 A 52 TYR HBy A 56 LEU H 1.0 0.0 6.5 903 783 A 53 CYS H A 53 CYS HA 1.0 0.0 5.5 904 784 A 53 CYS H A 53 CYS HBy 1.0 0.0 5.5 905 785 A 53 CYS H A 53 CYS HBx 1.0 0.0 6.5 906 786 A 53 CYS H A 53 CYS HBx 1.0 0.0 5.0 907 786 A 53 CYS H A 53 CYS HBy 1.0 0.0 5.0 908 787 A 53 CYS H A 54 ASN H 1.0 0.0 5.5 909 788 A 53 CYS H A 55 ARG H 1.0 0.0 6.5 910 789 A 53 CYS H A 56 LEU H 1.0 0.0 6.5 911 790 A 53 CYS H A 59 SER HBy 1.0 0.0 6.5 912 791 A 53 CYS H A 59 SER HBx 1.0 0.0 6.5 913 792 A 53 CYS H A 59 SER HBx 1.0 0.0 6.5 914 792 A 53 CYS H A 59 SER HBy 1.0 0.0 6.5 915 793 A 53 CYS H A 60 MET HA 1.0 0.0 6.5 916 794 A 53 CYS H A 60 MET HB2 1.0 0.0 6.5 917 795 A 53 CYS H A 60 MET HB3 1.0 0.0 6.5 918 796 A 53 CYS H A 60 MET HGx 1.0 0.0 6.5 919 797 A 53 CYS H A 60 MET HGy 1.0 0.0 6.5 920 798 A 53 CYS HA A 55 ARG H 1.0 0.0 6.5 921 799 A 53 CYS HA A 56 LEU H 1.0 0.0 6.5 922 800 A 53 CYS HA A 56 LEU HB3 1.0 0.0 6.5 923 800 A 53 CYS HA A 56 LEU HB2 1.0 0.0 6.5 924 801 A 53 CYS HA A 56 LEU HD1% 1.0 0.0 6.5 925 802 A 53 CYS HA A 56 LEU HD2% 1.0 0.0 6.5 926 803 A 53 CYS HA A 57 GLY H 1.0 0.0 6.5 927 804 A 53 CYS HA A 63 VAL HGx% 1.0 0.0 6.5 928 805 A 53 CYS HA A 63 VAL HGy% 1.0 0.0 6.5 929 806 A 53 CYS HA A 63 VAL HGx% 1.0 0.0 6.5 930 806 A 53 CYS HA A 63 VAL HGy% 1.0 0.0 6.5 931 807 A 53 CYS HBy A 60 MET H 1.0 0.0 6.5 932 808 A 60 MET H A 53 CYS HBx 1.0 0.0 6.5 933 809 A 54 ASN H A 53 CYS HBx 1.0 0.0 5.5 934 809 A 53 CYS HBy A 54 ASN H 1.0 0.0 5.5 935 810 A 55 ARG H A 53 CYS HBx 1.0 0.0 6.5 936 810 A 53 CYS HBy A 55 ARG H 1.0 0.0 6.5 937 811 A 56 LEU H A 53 CYS HBx 1.0 0.0 6.5 938 811 A 53 CYS HBy A 56 LEU H 1.0 0.0 6.5 939 812 A 57 GLY H A 53 CYS HBx 1.0 0.0 6.5 940 812 A 53 CYS HBy A 57 GLY H 1.0 0.0 6.5 941 813 A 58 GLN H A 53 CYS HBx 1.0 0.0 6.5 942 813 A 53 CYS HBy A 58 GLN H 1.0 0.0 6.5 943 814 A 60 MET H A 53 CYS HBx 1.0 0.0 6.5 944 814 A 53 CYS HBy A 60 MET H 1.0 0.0 6.5 945 815 A 54 ASN H A 54 ASN HBy 1.0 0.0 5.5 946 816 A 54 ASN H A 54 ASN HBx 1.0 0.0 5.5 947 817 A 54 ASN H A 54 ASN HBy 1.0 0.0 5.0 948 817 A 54 ASN H A 54 ASN HBx 1.0 0.0 5.0 949 818 A 54 ASN H A 55 ARG H 1.0 0.0 5.5 950 819 A 54 ASN H A 56 LEU H 1.0 0.0 6.5 951 820 A 54 ASN H A 57 GLY H 1.0 0.0 6.5 952 821 A 56 LEU H A 54 ASN HA 1.0 0.0 6.5 953 822 A 57 GLY H A 54 ASN HA 1.0 0.0 6.5 954 823 A 58 GLN H A 54 ASN HA 1.0 0.0 6.5 955 824 A 55 ARG H A 54 ASN HBy 1.0 0.0 6.5 956 825 A 56 LEU H A 54 ASN HBy 1.0 0.0 6.5 957 826 A 57 GLY H A 54 ASN HBy 1.0 0.0 6.5 958 827 A 55 ARG H A 54 ASN HBx 1.0 0.0 6.5 959 828 A 56 LEU H A 54 ASN HBx 1.0 0.0 6.5 960 829 A 57 GLY H A 54 ASN HBx 1.0 0.0 6.5 961 830 A 55 ARG H A 54 ASN HBy 1.0 0.0 5.5 962 830 A 55 ARG H A 54 ASN HBx 1.0 0.0 5.5 963 831 A 56 LEU H A 54 ASN HBy 1.0 0.0 6.5 964 831 A 56 LEU H A 54 ASN HBx 1.0 0.0 6.5 965 832 A 57 GLY H A 54 ASN HBy 1.0 0.0 6.5 966 832 A 57 GLY H A 54 ASN HBx 1.0 0.0 6.5 967 833 A 58 GLN H A 54 ASN HBy 1.0 0.0 6.5 968 833 A 58 GLN H A 54 ASN HBx 1.0 0.0 6.5 969 834 A 55 ARG H A 55 ARG HB2 1.0 0.0 5.5 970 835 A 55 ARG H A 55 ARG HB3 1.0 0.0 5.5 971 836 A 55 ARG H A 55 ARG HD2 1.0 0.0 6.5 972 837 A 55 ARG H A 55 ARG HD3 1.0 0.0 6.5 973 838 A 55 ARG H A 55 ARG HG2 1.0 0.0 6.5 974 839 A 55 ARG H A 55 ARG HG3 1.0 0.0 6.5 975 840 A 55 ARG H A 56 LEU H 1.0 0.0 5.5 976 841 A 55 ARG H A 57 GLY H 1.0 0.0 6.5 977 842 A 56 LEU H A 55 ARG HG2 1.0 0.0 6.5 978 843 A 56 LEU H A 55 ARG HG3 1.0 0.0 6.5 979 844 A 56 LEU H A 56 LEU HB2 1.0 0.0 6.5 980 845 A 56 LEU H A 56 LEU HB3 1.0 0.0 6.5 981 846 A 56 LEU H A 56 LEU HG 1.0 0.0 5.5 982 847 A 56 LEU H A 56 LEU HD1% 1.0 0.0 6.5 983 848 A 56 LEU H A 56 LEU HD2% 1.0 0.0 6.5 984 849 A 56 LEU H A 57 GLY H 1.0 0.0 5.5 985 850 A 56 LEU H A 58 GLN H 1.0 0.0 6.5 986 851 A 56 LEU HB2 A 57 GLY H 1.0 0.0 6.5 987 852 A 56 LEU HB2 A 58 GLN H 1.0 0.0 6.5 988 853 A 57 GLY H A 56 LEU HB3 1.0 0.0 6.5 989 854 A 58 GLN H A 56 LEU HB3 1.0 0.0 6.5 990 855 A 57 GLY H A 56 LEU HG 1.0 0.0 6.5 991 856 A 56 LEU HD1% A 58 GLN H 1.0 0.0 6.5 992 857 A 56 LEU HD2% A 58 GLN H 1.0 0.0 6.5 993 858 A 57 GLY H A 58 GLN H 1.0 0.0 5.5 994 859 A 58 GLN H A 58 GLN HGx 1.0 0.0 6.5 995 860 A 58 GLN H A 58 GLN HGy 1.0 0.0 6.5 996 861 A 58 GLN H A 58 GLN HBy 1.0 0.0 5.5 997 861 A 58 GLN H A 58 GLN HBx 1.0 0.0 5.5 998 862 A 58 GLN H A 59 SER H 1.0 0.0 6.5 999 863 A 58 GLN H A 63 VAL HGx% 1.0 0.0 6.5 1000 863 A 63 VAL HGy% A 58 GLN H 1.0 0.0 6.5 1001 864 A 58 GLN H A 63 VAL HGx% 1.0 0.0 6.5 1002 864 A 63 VAL HGy% A 58 GLN H 1.0 0.0 6.5 1003 865 A 59 SER H A 58 GLN HA 1.0 0.0 5.0 1004 866 A 58 GLN HA A 62 ALA HB% 1.0 0.0 6.5 1005 867 A 58 GLN HBx A 59 SER H 1.0 0.0 6.5 1006 868 A 59 SER H A 58 GLN HBy 1.0 0.0 6.5 1007 869 A 59 SER H A 58 GLN HBy 1.0 0.0 6.5 1008 869 A 58 GLN HBx A 59 SER H 1.0 0.0 6.5 1009 870 A 62 ALA H A 58 GLN HBy 1.0 0.0 6.5 1010 870 A 58 GLN HBx A 62 ALA H 1.0 0.0 6.5 1011 871 A 58 GLN HBy A 63 VAL HGx% 1.0 0.0 6.5 1012 871 A 58 GLN HBx A 63 VAL HGx% 1.0 0.0 6.5 1013 871 A 63 VAL HGy% A 58 GLN HBy 1.0 0.0 6.5 1014 871 A 63 VAL HGy% A 58 GLN HBx 1.0 0.0 6.5 1015 872 A 59 SER H A 58 GLN HGy 1.0 0.0 5.5 1016 872 A 59 SER H A 58 GLN HGx 1.0 0.0 5.5 1017 873 A 61 GLU H A 58 GLN HGy 1.0 0.0 6.5 1018 873 A 58 GLN HGx A 61 GLU H 1.0 0.0 6.5 1019 874 A 62 ALA HA A 58 GLN HGy 1.0 0.0 6.5 1020 874 A 58 GLN HGx A 62 ALA HA 1.0 0.0 6.5 1021 875 A 62 ALA HB% A 58 GLN HGy 1.0 0.0 6.5 1022 875 A 62 ALA HB% A 58 GLN HGx 1.0 0.0 6.5 1023 876 A 63 VAL H A 58 GLN HGy 1.0 0.0 6.5 1024 876 A 58 GLN HGx A 63 VAL H 1.0 0.0 6.5 1025 877 A 59 SER HBy A 59 SER H 1.0 0.0 5.5 1026 878 A 59 SER H A 59 SER HBx 1.0 0.0 5.5 1027 879 A 59 SER H A 59 SER HBx 1.0 0.0 5.5 1028 879 A 59 SER HBy A 59 SER H 1.0 0.0 5.5 1029 880 A 60 MET H A 59 SER H 1.0 0.0 6.5 1030 881 A 59 SER H A 61 GLU H 1.0 0.0 6.5 1031 882 A 59 SER H A 62 ALA H 1.0 0.0 6.5 1032 883 A 59 SER H A 62 ALA HB% 1.0 0.0 6.5 1033 884 A 59 SER H A 63 VAL HGx% 1.0 0.0 6.5 1034 884 A 63 VAL HGy% A 59 SER H 1.0 0.0 6.5 1035 885 A 60 MET H A 59 SER HA 1.0 0.0 5.0 1036 886 A 60 MET HA A 59 SER HA 1.0 0.0 6.5 1037 887 A 61 GLU H A 59 SER HA 1.0 0.0 6.5 1038 888 A 59 SER HBy A 60 MET H 1.0 0.0 5.5 1039 889 A 59 SER HBy A 61 GLU H 1.0 0.0 6.5 1040 890 A 59 SER HBy A 62 ALA H 1.0 0.0 6.5 1041 891 A 59 SER HBy A 62 ALA HB% 1.0 0.0 6.5 1042 892 A 60 MET H A 59 SER HBx 1.0 0.0 5.5 1043 893 A 61 GLU H A 59 SER HBx 1.0 0.0 6.5 1044 894 A 62 ALA H A 59 SER HBx 1.0 0.0 6.5 1045 895 A 62 ALA HB% A 59 SER HBx 1.0 0.0 6.5 1046 896 A 60 MET H A 59 SER HBx 1.0 0.0 5.5 1047 896 A 59 SER HBy A 60 MET H 1.0 0.0 5.5 1048 897 A 61 GLU H A 59 SER HBx 1.0 0.0 5.5 1049 897 A 59 SER HBy A 61 GLU H 1.0 0.0 5.5 1050 898 A 62 ALA H A 59 SER HBx 1.0 0.0 6.5 1051 898 A 59 SER HBy A 62 ALA H 1.0 0.0 6.5 1052 899 A 60 MET H A 60 MET HB2 1.0 0.0 6.5 1053 900 A 60 MET H A 60 MET HB3 1.0 0.0 5.0 1054 901 A 60 MET HGx A 60 MET H 1.0 0.0 6.5 1055 902 A 60 MET HGy A 60 MET H 1.0 0.0 6.5 1056 903 A 60 MET H A 61 GLU H 1.0 0.0 5.5 1057 904 A 60 MET H A 62 ALA H 1.0 0.0 6.5 1058 905 A 60 MET H A 62 ALA HB% 1.0 0.0 6.5 1059 906 A 60 MET H A 63 VAL H 1.0 0.0 6.5 1060 907 A 60 MET H A 63 VAL HGx% 1.0 0.0 6.5 1061 907 A 63 VAL HGy% A 60 MET H 1.0 0.0 6.5 1062 908 A 60 MET HA A 62 ALA H 1.0 0.0 6.5 1063 909 A 60 MET HA A 63 VAL H 1.0 0.0 6.5 1064 910 A 60 MET HA A 63 VAL HB 1.0 0.0 6.5 1065 911 A 60 MET HGx A 61 GLU H 1.0 0.0 6.5 1066 912 A 60 MET HGy A 61 GLU H 1.0 0.0 6.5 1067 913 A 60 MET HB3 A 63 VAL HGx% 1.0 0.0 6.5 1068 913 A 60 MET HB2 A 63 VAL HGx% 1.0 0.0 6.5 1069 913 A 63 VAL HGy% A 60 MET HB3 1.0 0.0 6.5 1070 913 A 63 VAL HGy% A 60 MET HB2 1.0 0.0 6.5 1071 914 A 61 GLU H A 61 GLU HBx 1.0 0.0 6.5 1072 915 A 61 GLU H A 61 GLU HBy 1.0 0.0 5.5 1073 916 A 61 GLU H A 61 GLU HG2 1.0 0.0 6.5 1074 917 A 61 GLU H A 61 GLU HG3 1.0 0.0 6.5 1075 918 A 62 ALA H A 61 GLU H 1.0 0.0 5.5 1076 919 A 62 ALA HB% A 61 GLU H 1.0 0.0 6.5 1077 920 A 61 GLU H A 63 VAL H 1.0 0.0 6.5 1078 921 A 61 GLU H A 63 VAL HGx% 1.0 0.0 6.5 1079 921 A 63 VAL HGy% A 61 GLU H 1.0 0.0 6.5 1080 922 A 62 ALA H A 61 GLU HA 1.0 0.0 5.5 1081 923 A 63 VAL H A 61 GLU HA 1.0 0.0 6.5 1082 924 A 62 ALA H A 61 GLU HBx 1.0 0.0 6.5 1083 925 A 62 ALA H A 61 GLU HBy 1.0 0.0 6.5 1084 926 A 62 ALA H A 61 GLU HG2 1.0 0.0 6.5 1085 927 A 62 ALA H A 61 GLU HG3 1.0 0.0 6.5 1086 928 A 62 ALA HB% A 62 ALA H 1.0 0.0 6.5 1087 929 A 62 ALA H A 63 VAL H 1.0 0.0 5.5 1088 930 A 62 ALA H A 93 VAL HG1% 1.0 0.0 6.5 1089 931 A 62 ALA H A 94 GLN HB2 1.0 0.0 6.5 1090 932 A 62 ALA H A 94 GLN HB3 1.0 0.0 6.5 1091 933 A 62 ALA H A 94 GLN HG2 1.0 0.0 6.5 1092 934 A 62 ALA H A 94 GLN HG3 1.0 0.0 6.5 1093 935 A 62 ALA HB% A 63 VAL H 1.0 0.0 6.5 1094 936 A 62 ALA HB% A 63 VAL HGx% 1.0 0.0 6.5 1095 936 A 63 VAL HGy% A 62 ALA HB% 1.0 0.0 6.5 1096 937 A 62 ALA HB% A 64 ARG H 1.0 0.0 6.5 1097 938 A 63 VAL H A 63 VAL HB 1.0 0.0 6.5 1098 939 A 63 VAL H A 63 VAL HGx% 1.0 0.0 6.5 1099 940 A 63 VAL HGy% A 63 VAL H 1.0 0.0 6.5 1100 941 A 63 VAL H A 63 VAL HGx% 1.0 0.0 6.5 1101 941 A 63 VAL HGy% A 63 VAL H 1.0 0.0 6.5 1102 942 A 63 VAL H A 64 ARG H 1.0 0.0 6.5 1103 943 A 63 VAL H A 94 GLN HA 1.0 0.0 6.5 1104 944 A 63 VAL H A 94 GLN HG2 1.0 0.0 6.5 1105 945 A 63 VAL H A 94 GLN HG3 1.0 0.0 6.5 1106 946 A 64 ARG H A 63 VAL HA 1.0 0.0 5.5 1107 947 A 63 VAL HA A 92 MET H 1.0 0.0 6.5 1108 948 A 63 VAL HA A 93 VAL HA 1.0 0.0 5.5 1109 949 A 63 VAL HA A 94 GLN H 1.0 0.0 5.5 1110 950 A 63 VAL HB A 64 ARG H 1.0 0.0 6.5 1111 951 A 63 VAL HB A 92 MET H 1.0 0.0 5.5 1112 952 A 63 VAL HB A 94 GLN H 1.0 0.0 6.5 1113 953 A 64 ARG H A 63 VAL HGx% 1.0 0.0 6.5 1114 954 A 92 MET H A 63 VAL HGx% 1.0 0.0 6.5 1115 955 A 94 GLN H A 63 VAL HGx% 1.0 0.0 6.5 1116 956 A 63 VAL HGy% A 64 ARG H 1.0 0.0 6.5 1117 957 A 63 VAL HGy% A 92 MET H 1.0 0.0 6.5 1118 958 A 63 VAL HGy% A 94 GLN H 1.0 0.0 6.5 1119 959 A 64 ARG H A 63 VAL HGx% 1.0 0.0 6.5 1120 959 A 63 VAL HGy% A 64 ARG H 1.0 0.0 6.5 1121 960 A 65 PHE HA A 63 VAL HGx% 1.0 0.0 6.5 1122 960 A 63 VAL HGy% A 65 PHE HA 1.0 0.0 6.5 1123 961 A 91 ALA HA A 63 VAL HGx% 1.0 0.0 6.5 1124 961 A 63 VAL HGy% A 91 ALA HA 1.0 0.0 6.5 1125 962 A 91 ALA HB% A 63 VAL HGx% 1.0 0.0 6.5 1126 962 A 91 ALA HB% A 63 VAL HGy% 1.0 0.0 6.5 1127 963 A 92 MET H A 63 VAL HGx% 1.0 0.0 6.5 1128 963 A 63 VAL HGy% A 92 MET H 1.0 0.0 6.5 1129 964 A 93 VAL H A 63 VAL HGx% 1.0 0.0 6.5 1130 964 A 63 VAL HGy% A 93 VAL H 1.0 0.0 6.5 1131 965 A 93 VAL HA A 63 VAL HGx% 1.0 0.0 6.5 1132 965 A 63 VAL HGy% A 93 VAL HA 1.0 0.0 6.5 1133 966 A 94 GLN H A 63 VAL HGx% 1.0 0.0 6.5 1134 966 A 63 VAL HGy% A 94 GLN H 1.0 0.0 6.5 1135 967 A 64 ARG H A 64 ARG HBy 1.0 0.0 5.5 1136 968 A 64 ARG H A 64 ARG HBx 1.0 0.0 5.5 1137 969 A 64 ARG H A 64 ARG HD2 1.0 0.0 6.5 1138 970 A 64 ARG H A 64 ARG HD3 1.0 0.0 6.5 1139 971 A 64 ARG H A 65 PHE H 1.0 0.0 6.5 1140 972 A 64 ARG H A 91 ALA HA 1.0 0.0 6.5 1141 973 A 91 ALA HB% A 64 ARG H 1.0 0.0 6.5 1142 974 A 64 ARG H A 92 MET H 1.0 0.0 5.5 1143 975 A 64 ARG H A 92 MET HA 1.0 0.0 6.5 1144 976 A 64 ARG H A 92 MET HBy 1.0 0.0 6.5 1145 977 A 64 ARG H A 92 MET HBx 1.0 0.0 6.5 1146 978 A 64 ARG H A 92 MET HG2 1.0 0.0 6.5 1147 979 A 64 ARG H A 92 MET HG3 1.0 0.0 6.5 1148 980 A 64 ARG H A 92 MET O 1.0 0.0 4.5 1149 981 A 64 ARG H A 93 VAL HA 1.0 0.0 6.5 1150 982 A 64 ARG H A 93 VAL HB 1.0 0.0 6.5 1151 983 A 93 VAL HG1% A 64 ARG H 1.0 0.0 6.5 1152 984 A 64 ARG H A 93 VAL HG2% 1.0 0.0 6.5 1153 985 A 94 GLN HG2 A 64 ARG H 1.0 0.0 6.5 1154 986 A 94 GLN HG3 A 64 ARG H 1.0 0.0 6.5 1155 987 A 65 PHE H A 64 ARG HA 1.0 0.0 5.0 1156 988 A 64 ARG HBy A 65 PHE H 1.0 0.0 6.5 1157 989 A 94 GLN H A 64 ARG HBy 1.0 0.0 6.5 1158 990 A 64 ARG HBy A 96 THR H 1.0 0.0 6.5 1159 991 A 64 ARG HBx A 65 PHE H 1.0 0.0 6.5 1160 992 A 94 GLN H A 64 ARG HBx 1.0 0.0 6.5 1161 993 A 64 ARG HBx A 96 THR H 1.0 0.0 6.5 1162 994 A 92 MET O A 64 ARG N 1.0 0.0 4.5 1163 995 A 92 MET H A 64 ARG O 1.0 0.0 4.5 1164 996 A 64 ARG O A 92 MET N 1.0 0.0 4.5 1165 997 A 65 PHE H A 65 PHE HBy 1.0 0.0 6.5 1166 998 A 65 PHE H A 65 PHE HBx 1.0 0.0 6.5 1167 999 A 65 PHE H A 65 PHE HBy 1.0 0.0 5.5 1168 999 A 65 PHE H A 65 PHE HBx 1.0 0.0 5.5 1169 1000 A 65 PHE H A 66 LEU H 1.0 0.0 6.5 1170 1001 A 65 PHE H A 71 ARG HA 1.0 0.0 6.5 1171 1002 A 65 PHE H A 71 ARG HBy 1.0 0.0 6.5 1172 1003 A 65 PHE H A 71 ARG HBx 1.0 0.0 6.5 1173 1004 A 65 PHE HA A 72 ILE H 1.0 0.0 6.5 1174 1005 A 89 ILE HG2% A 65 PHE HA 1.0 0.0 6.5 1175 1006 A 65 PHE HA A 91 ALA HA 1.0 0.0 5.0 1176 1007 A 91 ALA HB% A 65 PHE HA 1.0 0.0 6.5 1177 1008 A 92 MET H A 65 PHE HA 1.0 0.0 6.5 1178 1009 A 66 LEU H A 65 PHE HBy 1.0 0.0 6.5 1179 1010 A 72 ILE H A 65 PHE HBy 1.0 0.0 6.5 1180 1011 A 91 ALA HA A 65 PHE HBy 1.0 0.0 6.5 1181 1012 A 65 PHE HBx A 66 LEU H 1.0 0.0 6.5 1182 1013 A 65 PHE HBx A 72 ILE H 1.0 0.0 6.5 1183 1014 A 91 ALA HA A 65 PHE HBx 1.0 0.0 6.5 1184 1015 A 66 LEU H A 65 PHE HBy 1.0 0.0 6.5 1185 1015 A 65 PHE HBx A 66 LEU H 1.0 0.0 6.5 1186 1016 A 72 ILE H A 65 PHE HBy 1.0 0.0 6.5 1187 1016 A 65 PHE HBx A 72 ILE H 1.0 0.0 6.5 1188 1017 A 91 ALA HA A 65 PHE HBy 1.0 0.0 6.5 1189 1017 A 91 ALA HA A 65 PHE HBx 1.0 0.0 6.5 1190 1018 A 92 MET H A 65 PHE HBy 1.0 0.0 6.5 1191 1018 A 92 MET H A 65 PHE HBx 1.0 0.0 6.5 1192 1019 A 66 LEU H A 66 LEU HB2 1.0 0.0 6.5 1193 1020 A 66 LEU H A 66 LEU HB3 1.0 0.0 6.5 1194 1021 A 66 LEU H A 66 LEU HG 1.0 0.0 6.5 1195 1022 A 66 LEU H A 66 LEU HDx% 1.0 0.0 6.5 1196 1023 A 66 LEU H A 66 LEU HDy% 1.0 0.0 6.5 1197 1024 A 66 LEU H A 67 TYR H 1.0 0.0 6.5 1198 1025 A 89 ILE HA A 66 LEU H 1.0 0.0 6.5 1199 1026 A 89 ILE HD1% A 66 LEU H 1.0 0.0 6.5 1200 1027 A 89 ILE HG2% A 66 LEU H 1.0 0.0 6.5 1201 1028 A 90 ASP H A 66 LEU H 1.0 0.0 6.5 1202 1029 A 90 ASP HA A 66 LEU H 1.0 0.0 6.5 1203 1030 A 90 ASP HBy A 66 LEU H 1.0 0.0 6.5 1204 1031 A 66 LEU H A 90 ASP HBx 1.0 0.0 6.5 1205 1032 A 66 LEU H A 90 ASP O 1.0 0.0 4.5 1206 1033 A 91 ALA H A 66 LEU H 1.0 0.0 6.5 1207 1034 A 91 ALA HA A 66 LEU H 1.0 0.0 6.5 1208 1035 A 91 ALA HB% A 66 LEU H 1.0 0.0 6.5 1209 1036 A 92 MET H A 66 LEU H 1.0 0.0 6.5 1210 1037 A 67 TYR H A 66 LEU HA 1.0 0.0 5.5 1211 1038 A 66 LEU HA A 69 GLY H 1.0 0.0 6.5 1212 1039 A 66 LEU HA A 70 ASP H 1.0 0.0 6.5 1213 1040 A 66 LEU HA A 70 ASP HA 1.0 0.0 6.5 1214 1041 A 66 LEU HA A 70 ASP HB3 1.0 0.0 6.5 1215 1041 A 66 LEU HA A 70 ASP HB2 1.0 0.0 6.5 1216 1042 A 66 LEU HA A 71 ARG H 1.0 0.0 6.5 1217 1043 A 71 ARG HA A 66 LEU HA 1.0 0.0 5.0 1218 1044 A 90 ASP HBy A 66 LEU HA 1.0 0.0 6.5 1219 1045 A 66 LEU HA A 90 ASP HBx 1.0 0.0 6.5 1220 1046 A 69 GLY H A 66 LEU HB2 1.0 0.0 6.5 1221 1047 A 71 ARG H A 66 LEU HB2 1.0 0.0 6.5 1222 1048 A 71 ARG HA A 66 LEU HB2 1.0 0.0 6.5 1223 1049 A 90 ASP HA A 66 LEU HB2 1.0 0.0 6.5 1224 1050 A 69 GLY H A 66 LEU HB3 1.0 0.0 6.5 1225 1051 A 71 ARG H A 66 LEU HB3 1.0 0.0 6.5 1226 1052 A 71 ARG HA A 66 LEU HB3 1.0 0.0 6.5 1227 1053 A 90 ASP HA A 66 LEU HB3 1.0 0.0 6.5 1228 1054 A 66 LEU HG A 67 TYR H 1.0 0.0 6.5 1229 1055 A 66 LEU HG A 69 GLY H 1.0 0.0 6.5 1230 1056 A 66 LEU HG A 70 ASP H 1.0 0.0 6.5 1231 1057 A 90 ASP H A 66 LEU HG 1.0 0.0 6.5 1232 1058 A 90 ASP O A 66 LEU N 1.0 0.0 4.5 1233 1059 A 90 ASP H A 66 LEU O 1.0 0.0 4.5 1234 1060 A 66 LEU O A 90 ASP N 1.0 0.0 4.5 1235 1061 A 67 TYR H A 66 LEU HB3 1.0 0.0 6.5 1236 1061 A 67 TYR H A 66 LEU HB2 1.0 0.0 6.5 1237 1062 A 66 LEU HB3 A 90 ASP HBx 1.0 0.0 5.5 1238 1062 A 66 LEU HB2 A 90 ASP HBx 1.0 0.0 5.5 1239 1062 A 90 ASP HBy A 66 LEU HB3 1.0 0.0 5.5 1240 1062 A 90 ASP HBy A 66 LEU HB2 1.0 0.0 5.5 1241 1063 A 67 TYR H A 66 LEU HDx% 1.0 0.0 6.5 1242 1064 A 69 GLY H A 66 LEU HDx% 1.0 0.0 6.5 1243 1065 A 70 ASP H A 66 LEU HDx% 1.0 0.0 6.5 1244 1066 A 71 ARG H A 66 LEU HDx% 1.0 0.0 6.5 1245 1067 A 90 ASP H A 66 LEU HDx% 1.0 0.0 6.5 1246 1068 A 67 TYR H A 66 LEU HDy% 1.0 0.0 6.5 1247 1069 A 69 GLY H A 66 LEU HDy% 1.0 0.0 6.5 1248 1070 A 70 ASP H A 66 LEU HDy% 1.0 0.0 6.5 1249 1071 A 71 ARG H A 66 LEU HDy% 1.0 0.0 6.5 1250 1072 A 90 ASP H A 66 LEU HDy% 1.0 0.0 6.5 1251 1073 A 71 ARG HA A 66 LEU HDx% 1.0 0.0 5.5 1252 1073 A 71 ARG HA A 66 LEU HDy% 1.0 0.0 5.5 1253 1074 A 67 TYR H A 67 TYR HBy 1.0 0.0 6.5 1254 1075 A 67 TYR H A 67 TYR HBx 1.0 0.0 6.5 1255 1076 A 67 TYR H A 68 ASP H 1.0 0.0 6.5 1256 1077 A 67 TYR H A 69 GLY H 1.0 0.0 6.5 1257 1078 A 67 TYR H A 69 GLY HAy 1.0 0.0 6.5 1258 1079 A 67 TYR H A 69 GLY HAx 1.0 0.0 6.5 1259 1080 A 67 TYR H A 70 ASP H 1.0 0.0 6.5 1260 1081 A 67 TYR H A 70 ASP HB2 1.0 0.0 6.5 1261 1082 A 67 TYR H A 70 ASP HB3 1.0 0.0 6.5 1262 1083 A 67 TYR H A 71 ARG H 1.0 0.0 6.5 1263 1084 A 89 ILE HA A 67 TYR H 1.0 0.0 6.5 1264 1085 A 89 ILE HD1% A 67 TYR H 1.0 0.0 6.5 1265 1086 A 89 ILE HG2% A 67 TYR H 1.0 0.0 6.5 1266 1087 A 68 ASP H A 67 TYR HA 1.0 0.0 5.5 1267 1088 A 69 GLY H A 67 TYR HA 1.0 0.0 6.5 1268 1089 A 70 ASP H A 67 TYR HA 1.0 0.0 6.5 1269 1090 A 71 ARG H A 67 TYR HA 1.0 0.0 6.5 1270 1091 A 89 ILE HA A 67 TYR HA 1.0 0.0 6.5 1271 1092 A 90 ASP H A 67 TYR HA 1.0 0.0 6.5 1272 1093 A 67 TYR HBy A 68 ASP H 1.0 0.0 6.5 1273 1094 A 69 GLY H A 67 TYR HBy 1.0 0.0 6.5 1274 1095 A 70 ASP H A 67 TYR HBy 1.0 0.0 6.5 1275 1096 A 90 ASP H A 67 TYR HBy 1.0 0.0 6.5 1276 1097 A 67 TYR HBx A 68 ASP H 1.0 0.0 6.5 1277 1098 A 69 GLY H A 67 TYR HBx 1.0 0.0 6.5 1278 1099 A 70 ASP H A 67 TYR HBx 1.0 0.0 6.5 1279 1100 A 88 VAL H A 67 TYR HBx 1.0 0.0 6.5 1280 1101 A 90 ASP H A 67 TYR HBx 1.0 0.0 6.5 1281 1102 A 68 ASP H A 68 ASP HA 1.0 0.0 5.5 1282 1103 A 68 ASP H A 68 ASP HBx 1.0 0.0 5.5 1283 1103 A 68 ASP H A 68 ASP HBy 1.0 0.0 5.5 1284 1104 A 69 GLY H A 68 ASP H 1.0 0.0 5.5 1285 1105 A 68 ASP H A 69 GLY HAy 1.0 0.0 6.5 1286 1106 A 68 ASP H A 69 GLY HAx 1.0 0.0 6.5 1287 1107 A 68 ASP H A 69 GLY HAx 1.0 0.0 6.5 1288 1107 A 68 ASP H A 69 GLY HAy 1.0 0.0 6.5 1289 1108 A 70 ASP H A 68 ASP H 1.0 0.0 6.5 1290 1109 A 68 ASP H A 88 VAL O 1.0 0.0 4.5 1291 1110 A 68 ASP H A 88 VAL HGx% 1.0 0.0 6.5 1292 1110 A 88 VAL HGy% A 68 ASP H 1.0 0.0 6.5 1293 1111 A 89 ILE HA A 68 ASP H 1.0 0.0 6.5 1294 1112 A 89 ILE HB A 68 ASP H 1.0 0.0 6.5 1295 1113 A 68 ASP H A 89 ILE HG12 1.0 0.0 6.5 1296 1114 A 68 ASP H A 89 ILE HG13 1.0 0.0 6.5 1297 1115 A 89 ILE HD1% A 68 ASP H 1.0 0.0 6.5 1298 1116 A 89 ILE HG2% A 68 ASP H 1.0 0.0 6.5 1299 1117 A 69 GLY H A 68 ASP HA 1.0 0.0 5.5 1300 1118 A 70 ASP H A 68 ASP HA 1.0 0.0 6.5 1301 1119 A 69 GLY H A 68 ASP HBy 1.0 0.0 6.5 1302 1120 A 69 GLY H A 68 ASP HBx 1.0 0.0 6.5 1303 1121 A 88 VAL O A 68 ASP N 1.0 0.0 4.5 1304 1122 A 69 GLY H A 68 ASP HBx 1.0 0.0 6.5 1305 1122 A 69 GLY H A 68 ASP HBy 1.0 0.0 6.5 1306 1123 A 70 ASP H A 68 ASP HBx 1.0 0.0 6.5 1307 1123 A 70 ASP H A 68 ASP HBy 1.0 0.0 6.5 1308 1124 A 69 GLY H A 70 ASP H 1.0 0.0 5.5 1309 1125 A 89 ILE HA A 69 GLY H 1.0 0.0 6.5 1310 1126 A 70 ASP H A 69 GLY HAx 1.0 0.0 5.5 1311 1126 A 70 ASP H A 69 GLY HAy 1.0 0.0 5.5 1312 1127 A 70 ASP H A 70 ASP HB2 1.0 0.0 5.5 1313 1128 A 70 ASP H A 70 ASP HB3 1.0 0.0 6.5 1314 1129 A 70 ASP H A 71 ARG H 1.0 0.0 6.5 1315 1130 A 70 ASP HB2 A 71 ARG H 1.0 0.0 6.5 1316 1131 A 71 ARG H A 70 ASP HB3 1.0 0.0 6.5 1317 1132 A 71 ARG HBy A 71 ARG H 1.0 0.0 6.5 1318 1133 A 71 ARG HBx A 71 ARG H 1.0 0.0 5.5 1319 1134 A 71 ARG H A 71 ARG HD2 1.0 0.0 6.5 1320 1135 A 71 ARG H A 71 ARG HD3 1.0 0.0 6.5 1321 1136 A 72 ILE H A 71 ARG H 1.0 0.0 6.5 1322 1137 A 72 ILE H A 72 ILE HG12 1.0 0.0 6.5 1323 1138 A 72 ILE H A 72 ILE HG13 1.0 0.0 6.5 1324 1139 A 72 ILE H A 73 HIS H 1.0 0.0 6.5 1325 1140 A 74 GLY H A 73 HIS H 1.0 0.0 6.5 1326 1141 A 76 ASN H A 73 HIS H 1.0 0.0 6.5 1327 1142 A 73 HIS H A 76 ASN HBy 1.0 0.0 6.5 1328 1142 A 73 HIS H A 76 ASN HBx 1.0 0.0 6.5 1329 1143 A 74 GLY H A 73 HIS HA 1.0 0.0 5.5 1330 1144 A 75 ASP H A 73 HIS HA 1.0 0.0 6.5 1331 1145 A 74 GLY H A 73 HIS HBy 1.0 0.0 6.5 1332 1146 A 75 ASP H A 73 HIS HBy 1.0 0.0 6.5 1333 1147 A 74 GLY H A 73 HIS HBx 1.0 0.0 6.5 1334 1148 A 75 ASP H A 73 HIS HBx 1.0 0.0 6.5 1335 1149 A 75 ASP H A 73 HIS HBx 1.0 0.0 6.5 1336 1149 A 75 ASP H A 73 HIS HBy 1.0 0.0 6.5 1337 1150 A 74 GLY H A 75 ASP H 1.0 0.0 6.5 1338 1151 A 76 ASN H A 74 GLY H 1.0 0.0 6.5 1339 1152 A 75 ASP HB2 A 75 ASP H 1.0 0.0 6.5 1340 1153 A 75 ASP H A 75 ASP HB3 1.0 0.0 6.5 1341 1154 A 76 ASN H A 75 ASP H 1.0 0.0 6.5 1342 1155 A 77 THR H A 76 ASN H 1.0 0.0 5.0 1343 1156 A 77 THR H A 76 ASN HA 1.0 0.0 6.5 1344 1157 A 77 THR H A 76 ASN HBy 1.0 0.0 6.5 1345 1158 A 77 THR H A 76 ASN HBx 1.0 0.0 6.5 1346 1159 A 77 THR H A 76 ASN HBy 1.0 0.0 5.5 1347 1159 A 77 THR H A 76 ASN HBx 1.0 0.0 5.5 1348 1160 A 77 THR HG2% A 77 THR H 1.0 0.0 6.5 1349 1161 A 77 THR H A 80 GLN H 1.0 0.0 6.5 1350 1162 A 77 THR H A 80 GLN HBy 1.0 0.0 6.5 1351 1163 A 77 THR H A 80 GLN HBx 1.0 0.0 6.5 1352 1164 A 77 THR HA A 80 GLN H 1.0 0.0 6.5 1353 1165 A 77 THR HB A 80 GLN H 1.0 0.0 6.5 1354 1166 A 77 THR HG2% A 80 GLN H 1.0 0.0 6.5 1355 1167 A 80 GLN H A 80 GLN HG2 1.0 0.0 6.5 1356 1168 A 80 GLN H A 80 GLN HG3 1.0 0.0 6.5 1357 1169 A 80 GLN H A 81 LEU H 1.0 0.0 6.5 1358 1170 A 80 GLN H A 82 GLY H 1.0 0.0 6.5 1359 1171 A 80 GLN H A 84 GLU HGx 1.0 0.0 6.5 1360 1171 A 80 GLN H A 84 GLU HGy 1.0 0.0 6.5 1361 1172 A 82 GLY H A 80 GLN HA 1.0 0.0 6.5 1362 1173 A 80 GLN HBy A 81 LEU H 1.0 0.0 6.5 1363 1174 A 80 GLN HBx A 81 LEU H 1.0 0.0 6.5 1364 1175 A 80 GLN HG2 A 81 LEU H 1.0 0.0 6.5 1365 1176 A 80 GLN HG3 A 81 LEU H 1.0 0.0 6.5 1366 1177 A 81 LEU H A 81 LEU HB2 1.0 0.0 6.5 1367 1178 A 81 LEU H A 81 LEU HB3 1.0 0.0 6.5 1368 1179 A 81 LEU H A 81 LEU HG 1.0 0.0 6.5 1369 1180 A 81 LEU H A 81 LEU HDx% 1.0 0.0 6.5 1370 1181 A 81 LEU H A 81 LEU HDy% 1.0 0.0 6.5 1371 1182 A 81 LEU H A 81 LEU HDx% 1.0 0.0 6.5 1372 1182 A 81 LEU H A 81 LEU HDy% 1.0 0.0 6.5 1373 1183 A 81 LEU H A 82 GLY H 1.0 0.0 6.5 1374 1184 A 81 LEU H A 83 ILE H 1.0 0.0 6.5 1375 1185 A 81 LEU H A 83 ILE HB 1.0 0.0 6.5 1376 1186 A 81 LEU H A 83 ILE HG2% 1.0 0.0 6.5 1377 1187 A 81 LEU H A 84 GLU HGx 1.0 0.0 6.5 1378 1187 A 81 LEU H A 84 GLU HGy 1.0 0.0 6.5 1379 1188 A 83 ILE H A 81 LEU HA 1.0 0.0 6.5 1380 1189 A 82 GLY H A 81 LEU HG 1.0 0.0 6.5 1381 1190 A 81 LEU HG A 83 ILE H 1.0 0.0 6.5 1382 1191 A 82 GLY H A 81 LEU HDx% 1.0 0.0 6.5 1383 1192 A 82 GLY H A 81 LEU HDy% 1.0 0.0 6.5 1384 1193 A 82 GLY H A 81 LEU HDx% 1.0 0.0 6.5 1385 1193 A 82 GLY H A 81 LEU HDy% 1.0 0.0 6.5 1386 1194 A 82 GLY H A 83 ILE H 1.0 0.0 5.5 1387 1195 A 82 GLY H A 83 ILE HB 1.0 0.0 6.5 1388 1196 A 82 GLY H A 83 ILE HD1% 1.0 0.0 6.5 1389 1197 A 82 GLY H A 83 ILE HG2% 1.0 0.0 6.5 1390 1198 A 82 GLY H A 84 GLU H 1.0 0.0 6.5 1391 1199 A 82 GLY H A 84 GLU HBx 1.0 0.0 6.5 1392 1200 A 82 GLY H A 84 GLU HBy 1.0 0.0 6.5 1393 1201 A 82 GLY H A 84 GLU HGx 1.0 0.0 6.5 1394 1201 A 82 GLY H A 84 GLU HGy 1.0 0.0 6.5 1395 1202 A 84 GLU H A 82 GLY HAy 1.0 0.0 6.5 1396 1202 A 84 GLU H A 82 GLY HAx 1.0 0.0 6.5 1397 1203 A 83 ILE H A 83 ILE HB 1.0 0.0 5.5 1398 1204 A 83 ILE H A 83 ILE HG1x 1.0 0.0 6.5 1399 1205 A 83 ILE H A 83 ILE HG1y 1.0 0.0 6.5 1400 1206 A 83 ILE H A 83 ILE HD1% 1.0 0.0 6.5 1401 1207 A 83 ILE H A 83 ILE HG2% 1.0 0.0 6.5 1402 1208 A 83 ILE H A 84 GLU H 1.0 0.0 6.5 1403 1209 A 84 GLU H A 83 ILE HA 1.0 0.0 5.5 1404 1210 A 83 ILE HB A 84 GLU H 1.0 0.0 6.5 1405 1211 A 86 GLY H A 83 ILE HG1x 1.0 0.0 6.5 1406 1212 A 83 ILE HD1% A 84 GLU H 1.0 0.0 6.5 1407 1213 A 84 GLU H A 83 ILE HG1y 1.0 0.0 6.5 1408 1213 A 84 GLU H A 83 ILE HG1x 1.0 0.0 6.5 1409 1214 A 86 GLY H A 83 ILE HG1y 1.0 0.0 6.5 1410 1214 A 86 GLY H A 83 ILE HG1x 1.0 0.0 6.5 1411 1215 A 83 ILE HG2% A 84 GLU H 1.0 0.0 6.5 1412 1216 A 84 GLU H A 84 GLU HBx 1.0 0.0 6.5 1413 1217 A 84 GLU H A 84 GLU HBy 1.0 0.0 6.5 1414 1218 A 84 GLU HGy A 84 GLU H 1.0 0.0 6.5 1415 1219 A 84 GLU H A 84 GLU HGx 1.0 0.0 6.5 1416 1220 A 84 GLU H A 84 GLU HGx 1.0 0.0 6.5 1417 1220 A 84 GLU HGy A 84 GLU H 1.0 0.0 6.5 1418 1221 A 85 ASP H A 84 GLU H 1.0 0.0 6.5 1419 1222 A 87 ASP H A 84 GLU H 1.0 0.0 6.5 1420 1223 A 84 GLU H A 87 ASP HA 1.0 0.0 6.5 1421 1224 A 87 ASP HB2 A 84 GLU H 1.0 0.0 6.5 1422 1225 A 87 ASP HB3 A 84 GLU H 1.0 0.0 6.5 1423 1226 A 85 ASP H A 84 GLU HA 1.0 0.0 5.5 1424 1227 A 85 ASP H A 84 GLU HBx 1.0 0.0 6.5 1425 1228 A 85 ASP H A 84 GLU HBy 1.0 0.0 6.5 1426 1229 A 85 ASP H A 84 GLU HGy 1.0 0.0 6.5 1427 1230 A 85 ASP H A 84 GLU HGx 1.0 0.0 6.5 1428 1231 A 85 ASP H A 84 GLU HGx 1.0 0.0 5.5 1429 1231 A 85 ASP H A 84 GLU HGy 1.0 0.0 5.5 1430 1232 A 86 GLY H A 84 GLU HGx 1.0 0.0 6.5 1431 1232 A 86 GLY H A 84 GLU HGy 1.0 0.0 6.5 1432 1233 A 87 ASP H A 84 GLU HGx 1.0 0.0 6.5 1433 1233 A 87 ASP H A 84 GLU HGy 1.0 0.0 6.5 1434 1234 A 85 ASP HBy A 85 ASP H 1.0 0.0 6.5 1435 1235 A 85 ASP H A 85 ASP HBx 1.0 0.0 5.5 1436 1236 A 85 ASP H A 86 GLY H 1.0 0.0 6.5 1437 1237 A 85 ASP H A 87 ASP H 1.0 0.0 6.5 1438 1238 A 85 ASP HA A 86 GLY H 1.0 0.0 5.5 1439 1239 A 85 ASP HA A 87 ASP H 1.0 0.0 6.5 1440 1240 A 85 ASP HBy A 86 GLY H 1.0 0.0 6.5 1441 1241 A 85 ASP HBy A 87 ASP H 1.0 0.0 6.5 1442 1242 A 86 GLY H A 85 ASP HBx 1.0 0.0 6.5 1443 1243 A 87 ASP H A 85 ASP HBx 1.0 0.0 6.5 1444 1244 A 86 GLY H A 87 ASP H 1.0 0.0 5.5 1445 1245 A 87 ASP H A 87 ASP HB2 1.0 0.0 5.5 1446 1246 A 87 ASP H A 87 ASP HB3 1.0 0.0 5.5 1447 1247 A 87 ASP H A 88 VAL H 1.0 0.0 6.5 1448 1248 A 88 VAL H A 87 ASP HA 1.0 0.0 5.5 1449 1249 A 88 VAL H A 87 ASP HB2 1.0 0.0 6.5 1450 1250 A 88 VAL H A 87 ASP HB3 1.0 0.0 6.5 1451 1251 A 88 VAL H A 88 VAL HB 1.0 0.0 6.5 1452 1252 A 88 VAL H A 88 VAL HGx% 1.0 0.0 6.5 1453 1253 A 88 VAL H A 88 VAL HGy% 1.0 0.0 6.5 1454 1254 A 88 VAL H A 89 ILE H 1.0 0.0 6.5 1455 1255 A 88 VAL HA A 89 ILE HB 1.0 0.0 6.5 1456 1256 A 88 VAL HA A 89 ILE HD1% 1.0 0.0 6.5 1457 1257 A 88 VAL HB A 89 ILE H 1.0 0.0 6.5 1458 1258 A 89 ILE H A 88 VAL HGx% 1.0 0.0 6.5 1459 1259 A 89 ILE H A 88 VAL HGy% 1.0 0.0 6.5 1460 1260 A 89 ILE H A 89 ILE HB 1.0 0.0 6.5 1461 1261 A 89 ILE H A 89 ILE HG12 1.0 0.0 6.5 1462 1262 A 89 ILE H A 89 ILE HG13 1.0 0.0 6.5 1463 1263 A 89 ILE H A 89 ILE HD1% 1.0 0.0 6.5 1464 1264 A 89 ILE H A 89 ILE HG2% 1.0 0.0 6.5 1465 1265 A 89 ILE H A 90 ASP H 1.0 0.0 6.5 1466 1266 A 90 ASP H A 89 ILE HA 1.0 0.0 5.5 1467 1267 A 89 ILE HB A 90 ASP H 1.0 0.0 6.5 1468 1268 A 90 ASP H A 89 ILE HG12 1.0 0.0 6.5 1469 1269 A 90 ASP H A 89 ILE HG13 1.0 0.0 6.5 1470 1270 A 89 ILE HD1% A 90 ASP H 1.0 0.0 6.5 1471 1271 A 89 ILE HG2% A 90 ASP H 1.0 0.0 6.5 1472 1272 A 89 ILE HG2% A 91 ALA HA 1.0 0.0 6.5 1473 1273 A 90 ASP H A 90 ASP HBy 1.0 0.0 6.5 1474 1274 A 90 ASP H A 90 ASP HBx 1.0 0.0 6.5 1475 1275 A 91 ALA H A 90 ASP H 1.0 0.0 6.5 1476 1276 A 91 ALA H A 90 ASP HA 1.0 0.0 5.5 1477 1277 A 91 ALA H A 90 ASP HBy 1.0 0.0 6.5 1478 1278 A 91 ALA H A 90 ASP HBx 1.0 0.0 6.5 1479 1279 A 91 ALA H A 91 ALA HB% 1.0 0.0 6.5 1480 1280 A 91 ALA H A 92 MET H 1.0 0.0 6.5 1481 1281 A 92 MET H A 91 ALA HA 1.0 0.0 5.5 1482 1282 A 91 ALA HB% A 92 MET H 1.0 0.0 6.5 1483 1283 A 92 MET H A 92 MET HBy 1.0 0.0 5.5 1484 1284 A 92 MET H A 92 MET HBx 1.0 0.0 6.5 1485 1285 A 92 MET H A 92 MET HG2 1.0 0.0 6.5 1486 1286 A 92 MET H A 92 MET HG3 1.0 0.0 6.5 1487 1287 A 92 MET H A 93 VAL H 1.0 0.0 6.5 1488 1288 A 92 MET H A 95 GLN HA 1.0 0.0 6.5 1489 1289 A 93 VAL H A 92 MET HA 1.0 0.0 5.5 1490 1290 A 93 VAL H A 92 MET HBy 1.0 0.0 6.5 1491 1291 A 93 VAL H A 92 MET HBx 1.0 0.0 6.5 1492 1292 A 93 VAL H A 92 MET HG2 1.0 0.0 6.5 1493 1293 A 93 VAL H A 92 MET HG3 1.0 0.0 6.5 1494 1294 A 93 VAL H A 93 VAL HB 1.0 0.0 5.5 1495 1295 A 93 VAL HG1% A 93 VAL H 1.0 0.0 6.5 1496 1296 A 93 VAL H A 93 VAL HG2% 1.0 0.0 6.5 1497 1297 A 94 GLN H A 93 VAL H 1.0 0.0 6.5 1498 1298 A 93 VAL HA A 94 GLN H 1.0 0.0 5.0 1499 1299 A 94 GLN H A 93 VAL HB 1.0 0.0 6.5 1500 1300 A 93 VAL HG1% A 94 GLN H 1.0 0.0 6.5 1501 1301 A 94 GLN H A 93 VAL HG2% 1.0 0.0 6.5 1502 1302 A 94 GLN HA A 94 GLN H 1.0 0.0 5.0 1503 1303 A 94 GLN HB2 A 94 GLN H 1.0 0.0 6.5 1504 1304 A 94 GLN HB3 A 94 GLN H 1.0 0.0 6.5 1505 1305 A 94 GLN HG2 A 94 GLN H 1.0 0.0 6.5 1506 1306 A 94 GLN HG3 A 94 GLN H 1.0 0.0 6.5 1507 1307 A 94 GLN H A 95 GLN H 1.0 0.0 6.5 1508 1308 A 94 GLN HA A 95 GLN H 1.0 0.0 6.5 1509 1309 A 94 GLN HA A 97 GLY H 1.0 0.0 6.5 1510 1310 A 94 GLN HB2 A 95 GLN H 1.0 0.0 6.5 1511 1311 A 94 GLN HB2 A 98 GLY H 1.0 0.0 6.5 1512 1312 A 94 GLN HB3 A 95 GLN H 1.0 0.0 6.5 1513 1313 A 94 GLN HB3 A 98 GLY H 1.0 0.0 6.5 1514 1314 A 94 GLN HG2 A 95 GLN H 1.0 0.0 6.5 1515 1315 A 94 GLN HG3 A 95 GLN H 1.0 0.0 6.5 1516 1316 A 95 GLN H A 95 GLN HG2 1.0 0.0 6.5 1517 1317 A 95 GLN H A 95 GLN HG3 1.0 0.0 6.5 1518 1318 A 95 GLN HA A 98 GLY H 1.0 0.0 6.5 1519 1319 A 96 THR H A 95 GLN HBy 1.0 0.0 6.5 1520 1320 A 96 THR H A 95 GLN HBx 1.0 0.0 6.5 1521 1321 A 96 THR H A 95 GLN HG2 1.0 0.0 6.5 1522 1322 A 96 THR H A 95 GLN HG3 1.0 0.0 6.5 1523 1323 A 96 THR H A 96 THR HG2% 1.0 0.0 6.5 1524 1324 A 96 THR H A 97 GLY H 1.0 0.0 6.5 1525 1325 A 97 GLY H A 96 THR HB 1.0 0.0 6.5 1526 1326 A 97 GLY H A 96 THR HG2% 1.0 0.0 6.5 1527 1327 A 97 GLY H A 98 GLY H 1.0 0.0 6.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 ASP C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -85.7 -45.7 PHI 2 2 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ASP N 1.0 -61.0 -15.2 PSI 3 3 A 4 ASP C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -82.8 -42.8 PHI 4 4 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 SER N 1.0 -63.6 -14.3 PSI 5 5 A 5 ASP C A 6 SER N A 6 SER CA A 6 SER C 1.0 -82.8 -42.8 PHI 6 6 A 6 SER N A 6 SER CA A 6 SER C A 7 ALA N 1.0 -60.9 -11.4 PSI 7 7 A 18 ASN C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -126.8 -61.1 PHI 8 8 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 GLY N 1.0 -61.9 26.4 PSI 9 9 A 21 GLU C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -168.8 -43.5 PHI 10 10 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ILE N 1.0 91.2 210.9 PSI 11 11 A 22 HIS C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -170.0 -111.0 PHI 12 12 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLN N 1.0 138.2 178.4 PSI 13 13 A 23 ILE C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -170.2 -99.1 PHI 14 14 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 VAL N 1.0 110.9 165.1 PSI 15 15 A 24 GLN C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -153.1 -113.1 PHI 16 16 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 LYS N 1.0 139.2 182.8 PSI 17 17 A 25 VAL C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -166.2 -102.5 PHI 18 18 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 VAL N 1.0 115.2 177.3 PSI 19 19 A 26 LYS C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -133.1 -76.1 PHI 20 20 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ARG N 1.0 95.0 151.7 PSI 21 21 A 27 VAL C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -164.7 -72.3 PHI 22 22 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 SER N 1.0 106.2 153.5 PSI 23 23 A 28 ARG C A 29 SER N A 29 SER CA A 29 SER C 1.0 -130.1 -35.4 PHI 24 24 A 29 SER N A 29 SER CA A 29 SER C A 30 PRO N 1.0 78.1 194.1 PSI 25 25 A 30 PRO C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -130.0 -43.8 PHI 26 26 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 GLY N 1.0 -23.8 22.7 PSI 27 27 A 34 GLU C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -164.2 -104.2 PHI 28 28 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 PHE N 1.0 109.4 155.3 PSI 29 29 A 35 VAL C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -152.1 -67.8 PHI 30 30 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 PHE N 1.0 102.3 163.3 PSI 31 31 A 36 PHE C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -152.2 -112.2 PHI 32 32 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 LYS N 1.0 117.5 169.9 PSI 33 33 A 37 PHE C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -160.9 -95.1 PHI 34 34 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ILE N 1.0 109.7 168.9 PSI 35 35 A 38 LYS C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -155.9 -115.9 PHI 36 36 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 LYS N 1.0 136.8 177.6 PSI 37 37 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -144.7 -69.3 PHI 38 38 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LYS N 1.0 117.3 180.3 PSI 39 39 A 41 ARG C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -123.1 -55.1 PHI 40 40 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 THR N 1.0 102.0 154.9 PSI 41 41 A 42 LYS C A 43 THR N A 43 THR CA A 43 THR C 1.0 -166.8 -36.2 PHI 42 42 A 43 THR N A 43 THR CA A 43 THR C A 44 LYS N 1.0 77.1 179.9 PSI 43 43 A 44 LYS C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -103.0 -34.2 PHI 44 44 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 GLU N 1.0 -56.3 -10.7 PSI 45 45 A 45 LEU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -80.1 -40.1 PHI 46 46 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 LYS N 1.0 -64.4 -24.4 PSI 47 47 A 46 GLU C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -82.8 -42.8 PHI 48 48 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 LEU N 1.0 -57.1 -17.1 PSI 49 49 A 47 LYS C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -80.5 -40.5 PHI 50 50 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 MET N 1.0 -66.3 -26.3 PSI 51 51 A 48 LEU C A 49 MET N A 49 MET CA A 49 MET C 1.0 -100.1 -20.1 PHI 52 52 A 49 MET N A 49 MET CA A 49 MET C A 50 GLU N 1.0 -61.0 -21.0 PSI 53 53 A 49 MET C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -85.3 -45.3 PHI 54 54 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 VAL N 1.0 -63.2 -23.2 PSI 55 55 A 50 GLU C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -80.9 -40.9 PHI 56 56 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 TYR N 1.0 -64.0 -24.0 PSI 57 57 A 51 VAL C A 52 TYR N A 52 TYR CA A 52 TYR C 1.0 -82.8 -42.8 PHI 58 58 A 52 TYR N A 52 TYR CA A 52 TYR C A 53 CYS N 1.0 -65.8 -25.8 PSI 59 59 A 52 TYR C A 53 CYS N A 53 CYS CA A 53 CYS C 1.0 -78.7 -38.7 PHI 60 60 A 53 CYS N A 53 CYS CA A 53 CYS C A 54 ASN N 1.0 -64.4 -24.4 PSI 61 61 A 53 CYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -84.5 -44.5 PHI 62 62 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 ARG N 1.0 -60.0 -20.0 PSI 63 63 A 54 ASN C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -83.9 -43.9 PHI 64 64 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 LEU N 1.0 -59.6 -8.4 PSI 65 65 A 55 ARG C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -119.3 -67.3 PHI 66 66 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 GLY N 1.0 -21.2 18.8 PSI 67 67 A 56 LEU C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 53.6 99.2 PHI 68 68 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 GLN N 1.0 -2.3 58.8 PSI 69 69 A 57 GLY C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -150.0 -75.8 PHI 70 70 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 SER N 1.0 131.4 171.4 PSI 71 71 A 58 GLN C A 59 SER N A 59 SER CA A 59 SER C 1.0 -104.1 -45.3 PHI 72 72 A 59 SER N A 59 SER CA A 59 SER C A 60 MET N 1.0 130.2 177.6 PSI 73 73 A 59 SER C A 60 MET N A 60 MET CA A 60 MET C 1.0 -76.8 -36.8 PHI 74 74 A 60 MET N A 60 MET CA A 60 MET C A 61 GLU N 1.0 -57.2 -17.2 PSI 75 75 A 60 MET C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -87.5 -47.5 PHI 76 76 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ALA N 1.0 -52.2 14.6 PSI 77 77 A 61 GLU C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -113.8 -73.8 PHI 78 78 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 VAL N 1.0 -31.0 9.0 PSI 79 79 A 62 ALA C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -184.7 -48.6 PHI 80 80 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 ARG N 1.0 104.1 170.7 PSI 81 81 A 63 VAL C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -149.3 -66.0 PHI 82 82 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 PHE N 1.0 101.3 159.5 PSI 83 83 A 64 ARG C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -157.0 -81.0 PHI 84 84 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 LEU N 1.0 104.5 162.2 PSI 85 85 A 65 PHE C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -169.8 -87.6 PHI 86 86 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 TYR N 1.0 114.3 175.3 PSI 87 87 A 66 LEU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -174.8 -104.8 PHI 88 88 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 ASP N 1.0 103.5 144.2 PSI 89 89 A 67 TYR C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 32.3 72.3 PHI 90 90 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 GLY N 1.0 24.3 64.3 PSI 91 91 A 68 ASP C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 57.8 97.8 PHI 92 92 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 ASP N 1.0 -21.6 30.5 PSI 93 93 A 69 GLY C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -142.4 -84.5 PHI 94 94 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ARG N 1.0 118.1 166.3 PSI 95 95 A 70 ASP C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -101.7 -59.7 PHI 96 96 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 ILE N 1.0 111.5 161.5 PSI 97 97 A 71 ARG C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -172.3 -59.9 PHI 98 98 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 HIS N 1.0 87.0 196.9 PSI 99 99 A 72 ILE C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -155.5 -57.3 PHI 100 100 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 GLY N 1.0 135.9 175.9 PSI 101 101 A 73 HIS C A 74 GLY N A 74 GLY CA A 74 GLY C 1.0 -80.8 -40.8 PHI 102 102 A 74 GLY N A 74 GLY CA A 74 GLY C A 75 ASP N 1.0 -50.8 -2.9 PSI 103 103 A 74 GLY C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -101.6 -55.7 PHI 104 104 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 ASN N 1.0 -62.5 12.6 PSI 105 105 A 75 ASP C A 76 ASN N A 76 ASN CA A 76 ASN C 1.0 -133.3 -67.9 PHI 106 106 A 76 ASN N A 76 ASN CA A 76 ASN C A 77 THR N 1.0 -51.4 51.0 PSI 107 107 A 78 PRO C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -83.1 -43.1 PHI 108 108 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 GLN N 1.0 -55.5 -15.5 PSI 109 109 A 79 GLU C A 80 GLN N A 80 GLN CA A 80 GLN C 1.0 -87.9 -47.9 PHI 110 110 A 80 GLN N A 80 GLN CA A 80 GLN C A 81 LEU N 1.0 -59.1 -19.1 PSI 111 111 A 80 GLN C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -110.9 -70.9 PHI 112 112 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLY N 1.0 -29.3 17.0 PSI 113 113 A 81 LEU C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 53.7 135.0 PHI 114 114 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 ILE N 1.0 -17.8 38.4 PSI 115 115 A 82 GLY C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -100.9 -60.8 PHI 116 116 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 GLU N 1.0 112.9 158.9 PSI 117 117 A 83 ILE C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -155.5 -83.8 PHI 118 118 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ASP N 1.0 127.7 205.9 PSI 119 119 A 84 GLU C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -122.2 -5.5 PHI 120 120 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLY N 1.0 112.9 152.9 PSI 121 121 A 85 ASP C A 86 GLY N A 86 GLY CA A 86 GLY C 1.0 74.2 117.0 PHI 122 122 A 86 GLY N A 86 GLY CA A 86 GLY C A 87 ASP N 1.0 -36.6 3.4 PSI 123 123 A 86 GLY C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -106.5 -55.2 PHI 124 124 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 VAL N 1.0 90.2 198.9 PSI 125 125 A 87 ASP C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -145.4 -105.4 PHI 126 126 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 ILE N 1.0 109.9 167.9 PSI 127 127 A 88 VAL C A 89 ILE N A 89 ILE CA A 89 ILE C 1.0 -167.2 -88.9 PHI 128 128 A 89 ILE N A 89 ILE CA A 89 ILE C A 90 ASP N 1.0 115.3 155.3 PSI 129 129 A 89 ILE C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -166.5 -100.0 PHI 130 130 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 ALA N 1.0 117.0 167.6 PSI 131 131 A 90 ASP C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -166.1 -84.0 PHI 132 132 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 MET N 1.0 119.4 171.2 PSI 133 133 A 91 ALA C A 92 MET N A 92 MET CA A 92 MET C 1.0 -166.9 -64.7 PHI 134 134 A 92 MET N A 92 MET CA A 92 MET C A 93 VAL N 1.0 101.4 168.9 PSI 135 135 A 92 MET C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -137.3 -51.5 PHI 136 136 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 GLN N 1.0 92.8 174.6 PSI stop_ save_