data_nef_c19098_2mzj 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 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 GLY start . false 2 A 2 ASN middle . . 3 A 3 ARG middle . . 4 A 4 PHE middle . . 5 A 5 ILE middle . . 6 A 6 VAL middle . . 7 A 7 PHE middle . . 8 A 8 VAL middle . . 9 A 9 GLY middle . false 10 A 10 SER middle . . 11 A 11 LEU middle . . 12 A 12 PRO middle . false 13 A 13 ARG middle . . 14 A 14 ASP middle . . 15 A 15 ILE middle . . 16 A 16 THR middle . . 17 A 17 ALA middle . . 18 A 18 VAL middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 GLN middle . . 22 A 22 ASN middle . . 23 A 23 HIS middle . . 24 A 24 PHE middle . . 25 A 25 LYS middle . . 26 A 26 ASN middle . . 27 A 27 SER middle . . 28 A 28 SER middle . . 29 A 29 PRO middle . false 30 A 30 ASP middle . . 31 A 31 GLN middle . . 32 A 32 ILE middle . . 33 A 33 ARG middle . . 34 A 34 LEU middle . . 35 A 35 ARG middle . . 36 A 36 ALA middle . . 37 A 37 ASP middle . . 38 A 38 LYS middle . . 39 A 39 GLY middle . false 40 A 40 ILE middle . . 41 A 41 ALA middle . . 42 A 42 PHE middle . . 43 A 43 LEU middle . . 44 A 44 GLU middle . . 45 A 45 PHE middle . . 46 A 46 ASP middle . . 47 A 47 ALA middle . . 48 A 48 ASP middle . . 49 A 49 LYS middle . . 50 A 50 ASP middle . . 51 A 51 ARG middle . . 52 A 52 THR middle . . 53 A 53 GLY middle . false 54 A 54 ILE middle . . 55 A 55 GLN middle . . 56 A 56 ARG middle . . 57 A 57 ARG middle . . 58 A 58 MET middle . . 59 A 59 ASP middle . . 60 A 60 ILE middle . . 61 A 61 ALA middle . . 62 A 62 LEU middle . . 63 A 63 LEU middle . . 64 A 64 GLN middle . . 65 A 65 HIS middle . . 66 A 66 GLY middle . false 67 A 67 THR middle . . 68 A 68 LEU middle . . 69 A 69 LEU middle . . 70 A 70 LYS middle . . 71 A 71 GLU middle . . 72 A 72 LYS middle . . 73 A 73 LYS middle . . 74 A 74 ILE middle . . 75 A 75 ASN middle . . 76 A 76 VAL middle . . 77 A 77 GLU middle . . 78 A 78 LEU middle . . 79 A 79 THR middle . . 80 A 80 VAL middle . . 81 A 81 GLY middle . false 82 A 82 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 2 ASN HA H 1 4.720 0.020 A 2 ASN HB2 H 1 2.625 0.020 A 2 ASN HB3 H 1 2.625 0.020 A 2 ASN HD21 H 1 6.872 0.020 A 2 ASN HD22 H 1 7.893 0.020 A 2 ASN C C 13 173.662 0.3 A 2 ASN CA C 13 53.156 0.3 A 2 ASN CB C 13 39.303 0.3 A 2 ASN ND2 N 15 113.957 0.3 A 3 ARG H H 1 8.118 0.020 A 3 ARG HA H 1 4.958 0.020 A 3 ARG HB2 H 1 1.623 0.020 A 3 ARG HB3 H 1 1.623 0.020 A 3 ARG HD2 H 1 3.076 0.020 A 3 ARG HD3 H 1 3.076 0.020 A 3 ARG HG2 H 1 1.411 0.020 A 3 ARG HG3 H 1 1.411 0.020 A 3 ARG C C 13 175.216 0.3 A 3 ARG CA C 13 54.945 0.3 A 3 ARG CB C 13 32.488 0.3 A 3 ARG CD C 13 43.612 0.3 A 3 ARG CG C 13 27.419 0.3 A 3 ARG N N 15 120.881 0.3 A 4 PHE H H 1 9.078 0.020 A 4 PHE HA H 1 4.921 0.020 A 4 PHE HB2 H 1 3.215 0.020 A 4 PHE HB3 H 1 3.215 0.020 A 4 PHE HD1 H 1 7.270 0.020 A 4 PHE HD2 H 1 7.270 0.020 A 4 PHE C C 13 175.009 0.3 A 4 PHE CA C 13 56.806 0.3 A 4 PHE CB C 13 41.630 0.3 A 4 PHE CD1 C 13 131.450 0.3 A 4 PHE CD2 C 13 131.450 0.3 A 4 PHE N N 15 123.258 0.3 A 5 ILE H H 1 8.996 0.020 A 5 ILE HA H 1 5.308 0.020 A 5 ILE HB H 1 1.859 0.020 A 5 ILE HD1% H 1 0.717 0.020 A 5 ILE HG1x H 1 1.100 0.020 A 5 ILE HG1y H 1 1.470 0.020 A 5 ILE HG2% H 1 0.949 0.020 A 5 ILE C C 13 175.388 0.3 A 5 ILE CA C 13 59.741 0.3 A 5 ILE CB C 13 39.985 0.3 A 5 ILE CD1 C 13 12.600 0.3 A 5 ILE CG1 C 13 27.550 0.3 A 5 ILE CG2 C 13 18.800 0.3 A 5 ILE N N 15 121.657 0.3 A 6 VAL H H 1 9.616 0.020 A 6 VAL HA H 1 4.599 0.020 A 6 VAL HB H 1 2.067 0.020 A 6 VAL HGx% H 1 0.835 0.020 A 6 VAL HGy% H 1 0.976 0.020 A 6 VAL C C 13 173.916 0.3 A 6 VAL CA C 13 61.536 0.3 A 6 VAL CB C 13 34.759 0.3 A 6 VAL CG1 C 13 22.870 0.3 A 6 VAL CG2 C 13 22.999 0.3 A 6 VAL N N 15 128.908 0.3 A 7 PHE H H 1 9.419 0.020 A 7 PHE HA H 1 4.756 0.020 A 7 PHE HBx H 1 3.012 0.020 A 7 PHE HBy H 1 3.069 0.020 A 7 PHE HD1 H 1 6.909 0.020 A 7 PHE HD2 H 1 6.909 0.020 A 7 PHE HE1 H 1 7.130 0.020 A 7 PHE HE2 H 1 7.130 0.020 A 7 PHE HZ H 1 7.292 0.020 A 7 PHE C C 13 172.789 0.3 A 7 PHE CA C 13 56.950 0.3 A 7 PHE CB C 13 41.495 0.3 A 7 PHE CD1 C 13 131.230 0.3 A 7 PHE CD2 C 13 131.230 0.3 A 7 PHE CE1 C 13 130.650 0.3 A 7 PHE CE2 C 13 130.650 0.3 A 7 PHE CZ C 13 129.456 0.3 A 7 PHE N N 15 130.008 0.3 A 8 VAL H H 1 8.294 0.020 A 8 VAL HA H 1 4.926 0.020 A 8 VAL HB H 1 1.619 0.020 A 8 VAL HGx% H 1 0.649 0.020 A 8 VAL HGy% H 1 0.966 0.020 A 8 VAL C C 13 173.502 0.3 A 8 VAL CA C 13 59.885 0.3 A 8 VAL CB C 13 33.470 0.3 A 8 VAL CG1 C 13 22.089 0.3 A 8 VAL CG2 C 13 22.843 0.3 A 8 VAL N N 15 127.654 0.3 A 9 GLY H H 1 9.017 0.020 A 9 GLY HAx H 1 3.717 0.020 A 9 GLY HAy H 1 5.025 0.020 A 9 GLY C C 13 173.721 0.3 A 9 GLY CA C 13 43.380 0.3 A 9 GLY N N 15 111.122 0.3 A 10 SER H H 1 8.339 0.020 A 10 SER HA H 1 3.979 0.020 A 10 SER HBy H 1 4.400 0.020 A 10 SER HBx H 1 4.135 0.020 A 10 SER C C 13 174.112 0.3 A 10 SER CA C 13 58.492 0.3 A 10 SER CB C 13 62.997 0.3 A 10 SER N N 15 110.403 0.3 A 11 LEU H H 1 7.941 0.020 A 11 LEU HA H 1 4.137 0.020 A 11 LEU HBx H 1 1.110 0.020 A 11 LEU HBy H 1 1.170 0.020 A 11 LEU HDx% H 1 0.834 0.020 A 11 LEU HDy% H 1 0.420 0.020 A 11 LEU HG H 1 0.699 0.020 A 11 LEU C C 13 175.397 0.3 A 11 LEU CA C 13 52.798 0.3 A 11 LEU CB C 13 41.201 0.3 A 11 LEU CD1 C 13 26.488 0.3 A 11 LEU CD2 C 13 26.500 0.3 A 11 LEU CG C 13 24.691 0.3 A 11 LEU N N 15 114.614 0.3 A 12 PRO HA H 1 4.479 0.020 A 12 PRO HBx H 1 2.029 0.020 A 12 PRO HBy H 1 2.381 0.020 A 12 PRO HDx H 1 3.278 0.020 A 12 PRO HDy H 1 3.555 0.020 A 12 PRO HGy H 1 2.099 0.020 A 12 PRO HGx H 1 1.847 0.020 A 12 PRO C C 13 177.252 0.3 A 12 PRO CA C 13 62.247 0.3 A 12 PRO CB C 13 31.681 0.3 A 12 PRO CD C 13 49.423 0.3 A 12 PRO CG C 13 28.132 0.3 A 13 ARG H H 1 8.610 0.020 A 13 ARG HA H 1 4.214 0.020 A 13 ARG HBx H 1 1.789 0.020 A 13 ARG HBy H 1 1.865 0.020 A 13 ARG HD2 H 1 3.220 0.020 A 13 ARG HD3 H 1 3.220 0.020 A 13 ARG C C 13 176.148 0.3 A 13 ARG CA C 13 57.522 0.3 A 13 ARG CB C 13 29.829 0.3 A 13 ARG CD C 13 42.950 0.3 A 13 ARG CG C 13 26.929 0.3 A 13 ARG N N 15 120.751 0.3 A 14 ASP H H 1 8.248 0.020 A 14 ASP HA H 1 4.586 0.020 A 14 ASP HBx H 1 2.540 0.020 A 14 ASP HBy H 1 2.860 0.020 A 14 ASP C C 13 176.090 0.3 A 14 ASP CA C 13 52.440 0.3 A 14 ASP CB C 13 39.662 0.3 A 14 ASP N N 15 114.940 0.3 A 15 ILE H H 1 7.250 0.020 A 15 ILE HA H 1 4.321 0.020 A 15 ILE HB H 1 1.823 0.020 A 15 ILE HD1% H 1 0.890 0.020 A 15 ILE HG1x H 1 1.310 0.020 A 15 ILE HG1y H 1 1.710 0.020 A 15 ILE HG2% H 1 0.852 0.020 A 15 ILE C C 13 172.352 0.3 A 15 ILE CA C 13 58.453 0.3 A 15 ILE CB C 13 39.828 0.3 A 15 ILE CD1 C 13 15.820 0.3 A 15 ILE CG1 C 13 29.224 0.3 A 15 ILE CG2 C 13 19.874 0.3 A 15 ILE N N 15 120.749 0.3 A 16 THR H H 1 7.815 0.020 A 16 THR HA H 1 4.781 0.020 A 16 THR HB H 1 4.605 0.020 A 16 THR HG2% H 1 1.250 0.020 A 16 THR C C 13 175.538 0.3 A 16 THR CA C 13 59.383 0.3 A 16 THR CB C 13 72.555 0.3 A 16 THR CG2 C 13 21.640 0.3 A 16 THR N N 15 113.948 0.3 A 17 ALA H H 1 9.092 0.020 A 17 ALA HA H 1 3.887 0.020 A 17 ALA HB% H 1 1.490 0.020 A 17 ALA C C 13 179.920 0.3 A 17 ALA CA C 13 55.876 0.3 A 17 ALA CB C 13 17.695 0.3 A 17 ALA N N 15 123.852 0.3 A 18 VAL H H 1 7.985 0.020 A 18 VAL HA H 1 3.818 0.020 A 18 VAL HB H 1 1.985 0.020 A 18 VAL HGx% H 1 0.950 0.020 A 18 VAL HGy% H 1 1.063 0.020 A 18 VAL C C 13 178.092 0.3 A 18 VAL CA C 13 65.683 0.3 A 18 VAL CB C 13 31.752 0.3 A 18 VAL CG1 C 13 20.960 0.3 A 18 VAL CG2 C 13 22.559 0.3 A 18 VAL N N 15 117.077 0.3 A 19 GLU H H 1 7.485 0.020 A 19 GLU HA H 1 4.084 0.020 A 19 GLU HBx H 1 1.871 0.020 A 19 GLU HBy H 1 2.374 0.020 A 19 GLU HG2 H 1 2.272 0.020 A 19 GLU HG3 H 1 2.272 0.020 A 19 GLU C C 13 180.737 0.3 A 19 GLU CA C 13 59.229 0.3 A 19 GLU CB C 13 30.361 0.3 A 19 GLU CG C 13 37.924 0.3 A 19 GLU N N 15 120.180 0.3 A 20 LEU H H 1 7.922 0.020 A 20 LEU HA H 1 4.189 0.020 A 20 LEU HBx H 1 1.656 0.020 A 20 LEU HBy H 1 1.767 0.020 A 20 LEU HDx% H 1 0.779 0.020 A 20 LEU HDy% H 1 0.800 0.020 A 20 LEU HG H 1 1.655 0.020 A 20 LEU C C 13 177.877 0.3 A 20 LEU CA C 13 58.095 0.3 A 20 LEU CB C 13 42.183 0.3 A 20 LEU CD1 C 13 26.269 0.3 A 20 LEU CD2 C 13 25.942 0.3 A 20 LEU CG C 13 27.074 0.3 A 20 LEU N N 15 120.975 0.3 A 21 GLN H H 1 8.777 0.020 A 21 GLN HA H 1 3.709 0.020 A 21 GLN HB2 H 1 2.189 0.020 A 21 GLN HB3 H 1 2.189 0.020 A 21 GLN HE21 H 1 6.835 0.020 A 21 GLN HE22 H 1 7.442 0.020 A 21 GLN HG2 H 1 2.366 0.020 A 21 GLN HG3 H 1 2.366 0.020 A 21 GLN C C 13 178.667 0.3 A 21 GLN CA C 13 59.598 0.3 A 21 GLN CB C 13 28.009 0.3 A 21 GLN CG C 13 33.670 0.3 A 21 GLN N N 15 120.164 0.3 A 21 GLN NE2 N 15 110.467 0.3 A 22 ASN H H 1 8.117 0.020 A 22 ASN HA H 1 4.510 0.020 A 22 ASN HB2 H 1 2.898 0.020 A 22 ASN HB3 H 1 2.898 0.020 A 22 ASN HD21 H 1 7.029 0.020 A 22 ASN HD22 H 1 7.849 0.020 A 22 ASN C C 13 178.207 0.3 A 22 ASN CA C 13 56.162 0.3 A 22 ASN CB C 13 38.338 0.3 A 22 ASN N N 15 114.896 0.3 A 22 ASN ND2 N 15 113.595 0.3 A 23 HIS H H 1 8.086 0.020 A 23 HIS HA H 1 4.221 0.020 A 23 HIS HBx H 1 3.032 0.020 A 23 HIS HBy H 1 3.084 0.020 A 23 HIS HD2 H 1 5.718 0.020 A 23 HIS HE1 H 1 7.675 0.020 A 23 HIS C C 13 177.022 0.3 A 23 HIS CA C 13 59.956 0.3 A 23 HIS CB C 13 32.385 0.3 A 23 HIS CD2 C 13 115.235 0.3 A 23 HIS CE1 C 13 139.694 0.3 A 23 HIS N N 15 121.520 0.3 A 24 PHE H H 1 7.786 0.020 A 24 PHE HA H 1 4.655 0.020 A 24 PHE HBx H 1 2.605 0.020 A 24 PHE HBy H 1 3.477 0.020 A 24 PHE HD1 H 1 7.572 0.020 A 24 PHE HD2 H 1 7.572 0.020 A 24 PHE HE1 H 1 7.346 0.020 A 24 PHE HE2 H 1 7.346 0.020 A 24 PHE HZ H 1 7.145 0.020 A 24 PHE C C 13 176.688 0.3 A 24 PHE CA C 13 58.310 0.3 A 24 PHE CB C 13 38.288 0.3 A 24 PHE CD1 C 13 132.436 0.3 A 24 PHE CD2 C 13 132.436 0.3 A 24 PHE CE1 C 13 130.695 0.3 A 24 PHE CE2 C 13 130.695 0.3 A 24 PHE CZ C 13 129.177 0.3 A 24 PHE N N 15 112.538 0.3 A 25 LYS H H 1 7.193 0.020 A 25 LYS HA H 1 4.221 0.020 A 25 LYS HBx H 1 2.004 0.020 A 25 LYS HBy H 1 2.123 0.020 A 25 LYS HD2 H 1 1.743 0.020 A 25 LYS HD3 H 1 1.743 0.020 A 25 LYS HE2 H 1 3.022 0.020 A 25 LYS HE3 H 1 3.022 0.020 A 25 LYS HGx H 1 1.343 0.020 A 25 LYS HGy H 1 1.495 0.020 A 25 LYS C C 13 178.333 0.3 A 25 LYS CA C 13 60.099 0.3 A 25 LYS CB C 13 32.182 0.3 A 25 LYS CD C 13 29.339 0.3 A 25 LYS CE C 13 42.151 0.3 A 25 LYS CG C 13 23.556 0.3 A 25 LYS N N 15 122.332 0.3 A 26 ASN H H 1 8.641 0.020 A 26 ASN HA H 1 4.674 0.020 A 26 ASN HBx H 1 2.646 0.020 A 26 ASN HBy H 1 2.890 0.020 A 26 ASN HD21 H 1 6.948 0.020 A 26 ASN HD22 H 1 7.603 0.020 A 26 ASN C C 13 175.584 0.3 A 26 ASN CA C 13 55.375 0.3 A 26 ASN CB C 13 37.579 0.3 A 26 ASN N N 15 116.643 0.3 A 26 ASN ND2 N 15 112.874 0.3 A 27 SER H H 1 8.254 0.020 A 27 SER HA H 1 4.457 0.020 A 27 SER HBx H 1 3.962 0.020 A 27 SER HBy H 1 4.267 0.020 A 27 SER C C 13 173.514 0.3 A 27 SER CA C 13 59.811 0.3 A 27 SER CB C 13 65.691 0.3 A 27 SER N N 15 114.423 0.3 A 28 SER H H 1 7.864 0.020 A 28 SER HA H 1 4.145 0.020 A 28 SER HBx H 1 3.806 0.020 A 28 SER HBy H 1 4.021 0.020 A 28 SER CA C 13 57.451 0.3 A 28 SER CB C 13 62.803 0.3 A 28 SER N N 15 113.127 0.3 A 29 PRO HA H 1 3.375 0.020 A 29 PRO HBx H 1 1.286 0.020 A 29 PRO HBy H 1 1.367 0.020 A 29 PRO HDx H 1 3.640 0.020 A 29 PRO HDy H 1 3.921 0.020 A 29 PRO HGx H 1 1.599 0.020 A 29 PRO HGy H 1 1.748 0.020 A 29 PRO C C 13 176.102 0.3 A 29 PRO CA C 13 63.114 0.3 A 29 PRO CB C 13 30.822 0.3 A 29 PRO CD C 13 49.630 0.3 A 29 PRO CG C 13 27.799 0.3 A 30 ASP H H 1 7.956 0.020 A 30 ASP HA H 1 4.372 0.020 A 30 ASP HBx H 1 2.347 0.020 A 30 ASP HBy H 1 2.727 0.020 A 30 ASP C C 13 176.309 0.3 A 30 ASP CA C 13 57.737 0.3 A 30 ASP CB C 13 42.045 0.3 A 30 ASP N N 15 122.338 0.3 A 31 GLN H H 1 7.434 0.020 A 31 GLN HA H 1 4.454 0.020 A 31 GLN HBx H 1 1.780 0.020 A 31 GLN HBy H 1 1.831 0.020 A 31 GLN HE21 H 1 6.744 0.020 A 31 GLN HE22 H 1 7.559 0.020 A 31 GLN HGx H 1 2.170 0.020 A 31 GLN HGy H 1 2.204 0.020 A 31 GLN C C 13 173.652 0.3 A 31 GLN CA C 13 55.303 0.3 A 31 GLN CB C 13 32.776 0.3 A 31 GLN CG C 13 33.800 0.3 A 31 GLN N N 15 113.841 0.3 A 31 GLN NE2 N 15 111.005 0.3 A 32 ILE H H 1 8.656 0.020 A 32 ILE HA H 1 4.655 0.020 A 32 ILE HB H 1 1.695 0.020 A 32 ILE HD1% H 1 0.713 0.020 A 32 ILE HG1x H 1 1.490 0.020 A 32 ILE HG1y H 1 1.723 0.020 A 32 ILE HG2% H 1 0.638 0.020 A 32 ILE C C 13 175.147 0.3 A 32 ILE CA C 13 60.958 0.3 A 32 ILE CB C 13 40.505 0.3 A 32 ILE CD1 C 13 13.613 0.3 A 32 ILE CG1 C 13 27.242 0.3 A 32 ILE CG2 C 13 17.123 0.3 A 32 ILE N N 15 123.078 0.3 A 33 ARG H H 1 9.135 0.020 A 33 ARG HA H 1 4.743 0.020 A 33 ARG HBx H 1 1.889 0.020 A 33 ARG HBy H 1 1.940 0.020 A 33 ARG HDx H 1 3.115 0.020 A 33 ARG HDy H 1 3.208 0.020 A 33 ARG HGx H 1 1.468 0.020 A 33 ARG HGy H 1 1.579 0.020 A 33 ARG C C 13 174.319 0.3 A 33 ARG CA C 13 54.731 0.3 A 33 ARG CB C 13 31.871 0.3 A 33 ARG CD C 13 43.403 0.3 A 33 ARG CG C 13 27.982 0.3 A 33 ARG N N 15 127.920 0.3 A 34 LEU H H 1 8.935 0.020 A 34 LEU HA H 1 4.542 0.020 A 34 LEU HBx H 1 1.141 0.020 A 34 LEU HBy H 1 1.938 0.020 A 34 LEU HDx% H 1 0.622 0.020 A 34 LEU HDy% H 1 0.685 0.020 A 34 LEU HG H 1 1.525 0.020 A 34 LEU C C 13 175.757 0.3 A 34 LEU CA C 13 54.659 0.3 A 34 LEU CB C 13 44.895 0.3 A 34 LEU CD1 C 13 25.858 0.3 A 34 LEU CD2 C 13 23.436 0.3 A 34 LEU CG C 13 27.448 0.3 A 34 LEU N N 15 126.781 0.3 A 35 ARG H H 1 8.988 0.020 A 35 ARG HA H 1 4.838 0.020 A 35 ARG HBx H 1 1.825 0.020 A 35 ARG HBy H 1 1.904 0.020 A 35 ARG HD2 H 1 3.299 0.020 A 35 ARG HD3 H 1 3.299 0.020 A 35 ARG HGx H 1 1.595 0.020 A 35 ARG HGy H 1 1.724 0.020 A 35 ARG C C 13 176.297 0.3 A 35 ARG CA C 13 53.227 0.3 A 35 ARG CB C 13 28.802 0.3 A 35 ARG CD C 13 42.818 0.3 A 35 ARG CG C 13 26.582 0.3 A 35 ARG N N 15 128.389 0.3 A 36 ALA H H 1 9.030 0.020 A 36 ALA HA H 1 3.825 0.020 A 36 ALA HB% H 1 1.489 0.020 A 36 ALA C C 13 178.874 0.3 A 36 ALA CA C 13 56.080 0.3 A 36 ALA CB C 13 18.438 0.3 A 36 ALA N N 15 127.829 0.3 A 37 ASP H H 1 9.014 0.020 A 37 ASP HA H 1 4.339 0.020 A 37 ASP HBx H 1 2.731 0.020 A 37 ASP HBy H 1 2.794 0.020 A 37 ASP C C 13 177.091 0.3 A 37 ASP CA C 13 55.777 0.3 A 37 ASP CB C 13 39.064 0.3 A 37 ASP N N 15 113.828 0.3 A 38 LYS H H 1 7.344 0.020 A 38 LYS HA H 1 4.549 0.020 A 38 LYS HBx H 1 1.657 0.020 A 38 LYS HBy H 1 2.120 0.020 A 38 LYS HD2 H 1 1.630 0.020 A 38 LYS HD3 H 1 1.630 0.020 A 38 LYS HE2 H 1 2.963 0.020 A 38 LYS HE3 H 1 2.963 0.020 A 38 LYS HGx H 1 1.440 0.020 A 38 LYS HGy H 1 1.494 0.020 A 38 LYS C C 13 176.631 0.3 A 38 LYS CA C 13 54.883 0.3 A 38 LYS CB C 13 34.494 0.3 A 38 LYS CD C 13 28.451 0.3 A 38 LYS CE C 13 42.081 0.3 A 38 LYS CG C 13 24.800 0.3 A 38 LYS N N 15 116.846 0.3 A 39 GLY H H 1 7.974 0.020 A 39 GLY HAy H 1 4.067 0.020 A 39 GLY HAx H 1 3.910 0.020 A 39 GLY C C 13 173.491 0.3 A 39 GLY CA C 13 47.227 0.3 A 39 GLY N N 15 109.756 0.3 A 40 ILE H H 1 7.091 0.020 A 40 ILE HA H 1 5.281 0.020 A 40 ILE HB H 1 1.562 0.020 A 40 ILE HD1% H 1 0.928 0.020 A 40 ILE HG1x H 1 0.993 0.020 A 40 ILE HG1y H 1 1.284 0.020 A 40 ILE HG2% H 1 0.858 0.020 A 40 ILE C C 13 173.445 0.3 A 40 ILE CA C 13 58.445 0.3 A 40 ILE CB C 13 43.034 0.3 A 40 ILE CD1 C 13 14.336 0.3 A 40 ILE CG1 C 13 26.249 0.3 A 40 ILE CG2 C 13 18.363 0.3 A 40 ILE N N 15 110.916 0.3 A 41 ALA H H 1 8.980 0.020 A 41 ALA HA H 1 4.851 0.020 A 41 ALA HB% H 1 0.930 0.020 A 41 ALA C C 13 173.387 0.3 A 41 ALA CA C 13 50.078 0.3 A 41 ALA CB C 13 24.581 0.3 A 41 ALA N N 15 121.778 0.3 A 42 PHE H H 1 8.667 0.020 A 42 PHE HA H 1 5.291 0.020 A 42 PHE HBx H 1 2.740 0.020 A 42 PHE HBy H 1 2.892 0.020 A 42 PHE HD1 H 1 7.129 0.020 A 42 PHE HD2 H 1 7.129 0.020 A 42 PHE HE1 H 1 7.293 0.020 A 42 PHE HE2 H 1 7.293 0.020 A 42 PHE C C 13 174.664 0.3 A 42 PHE CA C 13 56.019 0.3 A 42 PHE CB C 13 41.655 0.3 A 42 PHE CD1 C 13 131.268 0.3 A 42 PHE CD2 C 13 131.268 0.3 A 42 PHE CE1 C 13 131.852 0.3 A 42 PHE CE2 C 13 131.852 0.3 A 42 PHE N N 15 114.936 0.3 A 43 LEU H H 1 9.605 0.020 A 43 LEU HA H 1 4.794 0.020 A 43 LEU HBx H 1 0.990 0.020 A 43 LEU HBy H 1 1.827 0.020 A 43 LEU HDx% H 1 -0.040 0.020 A 43 LEU HDy% H 1 0.188 0.020 A 43 LEU HG H 1 1.309 0.020 A 43 LEU C C 13 174.951 0.3 A 43 LEU CA C 13 52.869 0.3 A 43 LEU CB C 13 43.262 0.3 A 43 LEU CD1 C 13 24.183 0.3 A 43 LEU CD2 C 13 23.507 0.3 A 43 LEU CG C 13 27.166 0.3 A 43 LEU N N 15 123.701 0.3 A 44 GLU H H 1 8.575 0.020 A 44 GLU HA H 1 5.273 0.020 A 44 GLU HB2 H 1 1.780 0.020 A 44 GLU HB3 H 1 1.780 0.020 A 44 GLU HG2 H 1 2.011 0.020 A 44 GLU HG3 H 1 2.011 0.020 A 44 GLU C C 13 175.009 0.3 A 44 GLU CA C 13 54.659 0.3 A 44 GLU CB C 13 32.689 0.3 A 44 GLU CG C 13 36.383 0.3 A 44 GLU N N 15 120.862 0.3 A 45 PHE H H 1 9.114 0.020 A 45 PHE HA H 1 4.913 0.020 A 45 PHE HBx H 1 2.884 0.020 A 45 PHE HBy H 1 3.071 0.020 A 45 PHE HD1 H 1 7.171 0.020 A 45 PHE HD2 H 1 7.171 0.020 A 45 PHE HE1 H 1 7.129 0.020 A 45 PHE HE2 H 1 7.129 0.020 A 45 PHE HZ H 1 6.920 0.020 A 45 PHE C C 13 174.503 0.3 A 45 PHE CA C 13 56.806 0.3 A 45 PHE CB C 13 41.949 0.3 A 45 PHE CD1 C 13 132.260 0.3 A 45 PHE CD2 C 13 132.260 0.3 A 45 PHE CE1 C 13 132.068 0.3 A 45 PHE CE2 C 13 132.068 0.3 A 45 PHE CZ C 13 127.860 0.3 A 45 PHE N N 15 121.324 0.3 A 46 ASP H H 1 9.665 0.020 A 46 ASP HA H 1 4.781 0.020 A 46 ASP HBx H 1 2.407 0.020 A 46 ASP HBy H 1 2.883 0.020 A 46 ASP C C 13 176.677 0.3 A 46 ASP CA C 13 53.943 0.3 A 46 ASP CB C 13 41.632 0.3 A 46 ASP N N 15 124.776 0.3 A 47 ALA H H 1 8.672 0.020 A 47 ALA HA H 1 4.137 0.020 A 47 ALA HB% H 1 1.432 0.020 A 47 ALA C C 13 178.057 0.3 A 47 ALA CA C 13 54.159 0.3 A 47 ALA CB C 13 19.614 0.3 A 47 ALA N N 15 130.371 0.3 A 48 ASP H H 1 8.390 0.020 A 48 ASP HA H 1 4.566 0.020 A 48 ASP HBx H 1 2.693 0.020 A 48 ASP HBy H 1 2.810 0.020 A 48 ASP C C 13 177.838 0.3 A 48 ASP CA C 13 56.095 0.3 A 48 ASP CB C 13 40.733 0.3 A 48 ASP N N 15 116.047 0.3 A 49 LYS H H 1 7.365 0.020 A 49 LYS HA H 1 4.277 0.020 A 49 LYS HBx H 1 1.783 0.020 A 49 LYS HBy H 1 1.969 0.020 A 49 LYS HD2 H 1 1.704 0.020 A 49 LYS HD3 H 1 1.704 0.020 A 49 LYS HE2 H 1 3.031 0.020 A 49 LYS HE3 H 1 3.031 0.020 A 49 LYS HGx H 1 1.389 0.020 A 49 LYS HGy H 1 1.490 0.020 A 49 LYS C C 13 176.090 0.3 A 49 LYS CA C 13 56.806 0.3 A 49 LYS CB C 13 33.683 0.3 A 49 LYS CD C 13 29.104 0.3 A 49 LYS CE C 13 42.009 0.3 A 49 LYS CG C 13 25.375 0.3 A 49 LYS N N 15 118.167 0.3 A 50 ASP H H 1 7.262 0.020 A 50 ASP HA H 1 4.838 0.020 A 50 ASP HB2 H 1 2.589 0.020 A 50 ASP HB3 H 1 2.589 0.020 A 50 ASP C C 13 174.882 0.3 A 50 ASP CA C 13 52.798 0.3 A 50 ASP CB C 13 40.728 0.3 A 50 ASP N N 15 117.317 0.3 A 51 ARG H H 1 8.748 0.020 A 51 ARG HA H 1 4.271 0.020 A 51 ARG HB2 H 1 1.953 0.020 A 51 ARG HB3 H 1 1.953 0.020 A 51 ARG HD2 H 1 3.291 0.020 A 51 ARG HD3 H 1 3.291 0.020 A 51 ARG HG2 H 1 1.809 0.020 A 51 ARG HG3 H 1 1.809 0.020 A 51 ARG C C 13 179.173 0.3 A 51 ARG CA C 13 58.791 0.3 A 51 ARG CB C 13 30.509 0.3 A 51 ARG CD C 13 43.186 0.3 A 51 ARG CG C 13 27.563 0.3 A 51 ARG N N 15 122.340 0.3 A 52 THR H H 1 8.278 0.020 A 52 THR HA H 1 4.376 0.020 A 52 THR HB H 1 4.309 0.020 A 52 THR HG2% H 1 1.267 0.020 A 52 THR C C 13 176.378 0.3 A 52 THR CA C 13 63.606 0.3 A 52 THR CB C 13 69.477 0.3 A 52 THR CG2 C 13 21.833 0.3 A 52 THR N N 15 108.308 0.3 A 53 GLY H H 1 8.344 0.020 A 53 GLY HAx H 1 4.051 0.020 A 53 GLY HAy H 1 4.442 0.020 A 53 GLY C C 13 176.136 0.3 A 53 GLY CA C 13 45.771 0.3 A 53 GLY N N 15 111.649 0.3 A 54 ILE H H 1 7.508 0.020 A 54 ILE HA H 1 3.913 0.020 A 54 ILE HB H 1 2.161 0.020 A 54 ILE HD1% H 1 0.923 0.020 A 54 ILE HG1x H 1 1.204 0.020 A 54 ILE HG1y H 1 1.392 0.020 A 54 ILE HG2% H 1 0.911 0.020 A 54 ILE C C 13 175.688 0.3 A 54 ILE CA C 13 63.333 0.3 A 54 ILE CB C 13 37.408 0.3 A 54 ILE CD1 C 13 14.720 0.3 A 54 ILE CG1 C 13 29.011 0.3 A 54 ILE CG2 C 13 17.895 0.3 A 54 ILE N N 15 120.400 0.3 A 55 GLN H H 1 8.265 0.020 A 55 GLN HA H 1 3.702 0.020 A 55 GLN HB2 H 1 2.011 0.020 A 55 GLN HB3 H 1 2.011 0.020 A 55 GLN HE21 H 1 6.660 0.020 A 55 GLN HE22 H 1 7.800 0.020 A 55 GLN HG2 H 1 2.303 0.020 A 55 GLN HG3 H 1 2.303 0.020 A 55 GLN C C 13 177.378 0.3 A 55 GLN CA C 13 59.113 0.3 A 55 GLN CB C 13 27.821 0.3 A 55 GLN CG C 13 33.773 0.3 A 55 GLN N N 15 121.926 0.3 A 55 GLN NE2 N 15 114.889 0.3 A 56 ARG H H 1 7.984 0.020 A 56 ARG HA H 1 4.087 0.020 A 56 ARG HBx H 1 1.870 0.020 A 56 ARG HBy H 1 1.889 0.020 A 56 ARG HDx H 1 3.209 0.020 A 56 ARG HDy H 1 3.300 0.020 A 56 ARG HGx H 1 1.600 0.020 A 56 ARG HGy H 1 1.693 0.020 A 56 ARG C C 13 178.736 0.3 A 56 ARG CA C 13 58.926 0.3 A 56 ARG CB C 13 29.758 0.3 A 56 ARG CD C 13 43.234 0.3 A 56 ARG CG C 13 27.261 0.3 A 56 ARG N N 15 118.924 0.3 A 57 ARG H H 1 7.535 0.020 A 57 ARG HA H 1 3.763 0.020 A 57 ARG HBx H 1 1.614 0.020 A 57 ARG HBy H 1 2.457 0.020 A 57 ARG HDx H 1 3.149 0.020 A 57 ARG HDy H 1 3.391 0.020 A 57 ARG HG2 H 1 1.827 0.020 A 57 ARG HG3 H 1 1.827 0.020 A 57 ARG C C 13 178.575 0.3 A 57 ARG CA C 13 60.336 0.3 A 57 ARG CB C 13 30.907 0.3 A 57 ARG CD C 13 45.284 0.3 A 57 ARG CG C 13 27.600 0.3 A 57 ARG N N 15 117.448 0.3 A 58 MET H H 1 8.141 0.020 A 58 MET HA H 1 3.285 0.020 A 58 MET HBx H 1 1.553 0.020 A 58 MET HBy H 1 1.797 0.020 A 58 MET HE% H 1 1.488 0.020 A 58 MET HGx H 1 1.206 0.020 A 58 MET HGy H 1 1.984 0.020 A 58 MET C C 13 177.677 0.3 A 58 MET CA C 13 59.516 0.3 A 58 MET CB C 13 32.172 0.3 A 58 MET CE C 13 15.970 0.3 A 58 MET CG C 13 31.301 0.3 A 58 MET N N 15 118.287 0.3 A 59 ASP H H 1 8.444 0.020 A 59 ASP HA H 1 4.307 0.020 A 59 ASP HBx H 1 2.540 0.020 A 59 ASP HBy H 1 2.875 0.020 A 59 ASP C C 13 179.529 0.3 A 59 ASP CA C 13 57.679 0.3 A 59 ASP CB C 13 39.992 0.3 A 59 ASP N N 15 119.972 0.3 A 60 ILE H H 1 7.903 0.020 A 60 ILE HA H 1 3.706 0.020 A 60 ILE HB H 1 1.827 0.020 A 60 ILE HD1% H 1 0.764 0.020 A 60 ILE HG1x H 1 1.080 0.020 A 60 ILE HG1y H 1 1.786 0.020 A 60 ILE HG2% H 1 0.809 0.020 A 60 ILE C C 13 178.977 0.3 A 60 ILE CA C 13 64.711 0.3 A 60 ILE CB C 13 37.942 0.3 A 60 ILE CD1 C 13 13.676 0.3 A 60 ILE CG1 C 13 29.533 0.3 A 60 ILE CG2 C 13 17.951 0.3 A 60 ILE N N 15 119.548 0.3 A 61 ALA H H 1 7.967 0.020 A 61 ALA HA H 1 4.384 0.020 A 61 ALA HB% H 1 1.669 0.020 A 61 ALA C C 13 180.150 0.3 A 61 ALA CA C 13 56.019 0.3 A 61 ALA CB C 13 17.415 0.3 A 61 ALA N N 15 124.409 0.3 A 62 LEU H H 1 8.477 0.020 A 62 LEU HA H 1 4.032 0.020 A 62 LEU HBx H 1 1.600 0.020 A 62 LEU HBy H 1 1.954 0.020 A 62 LEU HDx% H 1 0.925 0.020 A 62 LEU HDy% H 1 0.873 0.020 A 62 LEU HG H 1 1.856 0.020 A 62 LEU C C 13 180.657 0.3 A 62 LEU CA C 13 57.880 0.3 A 62 LEU CB C 13 41.027 0.3 A 62 LEU CD1 C 13 25.314 0.3 A 62 LEU CD2 C 13 23.514 0.3 A 62 LEU CG C 13 27.643 0.3 A 62 LEU N N 15 117.859 0.3 A 63 LEU H H 1 7.817 0.020 A 63 LEU HA H 1 4.317 0.020 A 63 LEU HBx H 1 1.669 0.020 A 63 LEU HBy H 1 1.939 0.020 A 63 LEU HDx% H 1 0.900 0.020 A 63 LEU HDy% H 1 0.914 0.020 A 63 LEU HG H 1 1.893 0.020 A 63 LEU C C 13 177.620 0.3 A 63 LEU CA C 13 56.503 0.3 A 63 LEU CB C 13 41.991 0.3 A 63 LEU CD1 C 13 25.228 0.3 A 63 LEU CD2 C 13 23.138 0.3 A 63 LEU CG C 13 27.009 0.3 A 63 LEU N N 15 120.487 0.3 A 64 GLN H H 1 7.948 0.020 A 64 GLN HA H 1 4.692 0.020 A 64 GLN HBx H 1 1.905 0.020 A 64 GLN HBy H 1 2.362 0.020 A 64 GLN HE21 H 1 6.342 0.020 A 64 GLN HGx H 1 1.546 0.020 A 64 GLN HGy H 1 2.496 0.020 A 64 GLN C C 13 177.758 0.3 A 64 GLN CA C 13 54.022 0.3 A 64 GLN CB C 13 28.212 0.3 A 64 GLN CG C 13 32.829 0.3 A 64 GLN N N 15 113.593 0.3 A 64 GLN NE2 N 15 111.243 0.3 A 65 HIS H H 1 8.071 0.020 A 65 HIS HA H 1 4.298 0.020 A 65 HIS HBx H 1 3.175 0.020 A 65 HIS HBy H 1 3.647 0.020 A 65 HIS HD2 H 1 7.040 0.020 A 65 HIS HE1 H 1 8.001 0.020 A 65 HIS C C 13 176.700 0.3 A 65 HIS CA C 13 60.171 0.3 A 65 HIS CB C 13 31.609 0.3 A 65 HIS CD2 C 13 117.450 0.3 A 65 HIS CE1 C 13 139.547 0.3 A 65 HIS N N 15 123.254 0.3 A 66 GLY H H 1 8.230 0.020 A 66 GLY HAx H 1 3.446 0.020 A 66 GLY HAy H 1 3.925 0.020 A 66 GLY C C 13 174.261 0.3 A 66 GLY CA C 13 45.941 0.3 A 66 GLY N N 15 116.058 0.3 A 67 THR H H 1 7.479 0.020 A 67 THR HA H 1 4.358 0.020 A 67 THR HB H 1 4.433 0.020 A 67 THR HG2% H 1 1.268 0.020 A 67 THR C C 13 172.237 0.3 A 67 THR CA C 13 61.249 0.3 A 67 THR CB C 13 72.118 0.3 A 67 THR CG2 C 13 22.660 0.3 A 67 THR N N 15 109.697 0.3 A 68 LEU H H 1 8.095 0.020 A 68 LEU HA H 1 4.825 0.020 A 68 LEU HBx H 1 1.128 0.020 A 68 LEU HBy H 1 1.639 0.020 A 68 LEU HDx% H 1 0.622 0.020 A 68 LEU HDy% H 1 0.796 0.020 A 68 LEU HG H 1 1.514 0.020 A 68 LEU C C 13 176.539 0.3 A 68 LEU CA C 13 53.872 0.3 A 68 LEU CB C 13 43.581 0.3 A 68 LEU CD1 C 13 24.980 0.3 A 68 LEU CD2 C 13 23.562 0.3 A 68 LEU CG C 13 27.224 0.3 A 68 LEU N N 15 117.464 0.3 A 69 LEU H H 1 8.954 0.020 A 69 LEU HA H 1 4.275 0.020 A 69 LEU HBx H 1 0.376 0.020 A 69 LEU HBy H 1 1.405 0.020 A 69 LEU HDx% H 1 0.475 0.020 A 69 LEU HDy% H 1 0.578 0.020 A 69 LEU HG H 1 1.066 0.020 A 69 LEU C C 13 174.652 0.3 A 69 LEU CA C 13 53.943 0.3 A 69 LEU CB C 13 44.237 0.3 A 69 LEU CD1 C 13 25.998 0.3 A 69 LEU CD2 C 13 23.459 0.3 A 69 LEU CG C 13 27.529 0.3 A 69 LEU N N 15 126.403 0.3 A 70 LYS H H 1 9.148 0.020 A 70 LYS HA H 1 3.732 0.020 A 70 LYS HBx H 1 1.752 0.020 A 70 LYS HBy H 1 1.901 0.020 A 70 LYS HD2 H 1 1.523 0.020 A 70 LYS HD3 H 1 1.523 0.020 A 70 LYS HE2 H 1 2.881 0.020 A 70 LYS HE3 H 1 2.881 0.020 A 70 LYS HG2 H 1 1.325 0.020 A 70 LYS HG3 H 1 1.325 0.020 A 70 LYS C C 13 175.619 0.3 A 70 LYS CA C 13 57.617 0.3 A 70 LYS CB C 13 29.826 0.3 A 70 LYS CD C 13 29.200 0.3 A 70 LYS CE C 13 41.809 0.3 A 70 LYS CG C 13 25.306 0.3 A 70 LYS N N 15 124.436 0.3 A 71 GLU H H 1 8.526 0.020 A 71 GLU HA H 1 3.728 0.020 A 71 GLU HBx H 1 2.230 0.020 A 71 GLU HBy H 1 2.312 0.020 A 71 GLU HGx H 1 2.109 0.020 A 71 GLU HGy H 1 2.198 0.020 A 71 GLU C C 13 175.066 0.3 A 71 GLU CA C 13 58.044 0.3 A 71 GLU CB C 13 27.879 0.3 A 71 GLU CG C 13 36.935 0.3 A 71 GLU N N 15 108.947 0.3 A 72 LYS H H 1 7.832 0.020 A 72 LYS HA H 1 4.536 0.020 A 72 LYS HBx H 1 1.741 0.020 A 72 LYS HBy H 1 1.953 0.020 A 72 LYS HD2 H 1 1.600 0.020 A 72 LYS HD3 H 1 1.600 0.020 A 72 LYS HE2 H 1 2.951 0.020 A 72 LYS HE3 H 1 2.951 0.020 A 72 LYS HGx H 1 1.279 0.020 A 72 LYS HGy H 1 1.430 0.020 A 72 LYS C C 13 174.399 0.3 A 72 LYS CA C 13 53.992 0.3 A 72 LYS CB C 13 34.258 0.3 A 72 LYS CD C 13 28.080 0.3 A 72 LYS CE C 13 42.188 0.3 A 72 LYS CG C 13 24.470 0.3 A 72 LYS N N 15 122.023 0.3 A 73 LYS H H 1 8.237 0.020 A 73 LYS HA H 1 4.573 0.020 A 73 LYS HBx H 1 1.493 0.020 A 73 LYS HBy H 1 1.608 0.020 A 73 LYS HD2 H 1 1.602 0.020 A 73 LYS HD3 H 1 1.602 0.020 A 73 LYS HE2 H 1 2.960 0.020 A 73 LYS HE3 H 1 2.960 0.020 A 73 LYS HG2 H 1 1.229 0.020 A 73 LYS HG3 H 1 1.229 0.020 A 73 LYS C C 13 176.930 0.3 A 73 LYS CA C 13 56.091 0.3 A 73 LYS CB C 13 32.762 0.3 A 73 LYS CD C 13 28.008 0.3 A 73 LYS CG C 13 24.877 0.3 A 73 LYS N N 15 124.414 0.3 A 74 ILE H H 1 8.345 0.020 A 74 ILE HA H 1 4.649 0.020 A 74 ILE HB H 1 1.953 0.020 A 74 ILE HD1% H 1 0.678 0.020 A 74 ILE HG1x H 1 1.335 0.020 A 74 ILE HG1y H 1 1.468 0.020 A 74 ILE HG2% H 1 0.813 0.020 A 74 ILE C C 13 175.423 0.3 A 74 ILE CA C 13 61.173 0.3 A 74 ILE CB C 13 40.131 0.3 A 74 ILE CD1 C 13 15.244 0.3 A 74 ILE CG1 C 13 24.681 0.3 A 74 ILE CG2 C 13 18.463 0.3 A 74 ILE N N 15 120.744 0.3 A 75 ASN H H 1 8.185 0.020 A 75 ASN HA H 1 5.802 0.020 A 75 ASN HBx H 1 2.668 0.020 A 75 ASN HBy H 1 2.841 0.020 A 75 ASN HD21 H 1 7.209 0.020 A 75 ASN HD22 H 1 7.535 0.020 A 75 ASN C C 13 174.273 0.3 A 75 ASN CA C 13 51.332 0.3 A 75 ASN CB C 13 41.781 0.3 A 75 ASN N N 15 121.104 0.3 A 75 ASN ND2 N 15 113.303 0.3 A 76 VAL H H 1 11.285 0.020 A 76 VAL HA H 1 5.354 0.020 A 76 VAL HB H 1 2.100 0.020 A 76 VAL HGx% H 1 1.073 0.020 A 76 VAL HGy% H 1 1.166 0.020 A 76 VAL C C 13 174.767 0.3 A 76 VAL CA C 13 61.746 0.3 A 76 VAL CB C 13 35.500 0.3 A 76 VAL CG1 C 13 22.893 0.3 A 76 VAL CG2 C 13 22.650 0.3 A 76 VAL N N 15 127.344 0.3 A 77 GLU H H 1 9.319 0.020 A 77 GLU HA H 1 4.743 0.020 A 77 GLU HBx H 1 1.985 0.020 A 77 GLU HBy H 1 2.130 0.020 A 77 GLU HGx H 1 2.160 0.020 A 77 GLU HGy H 1 2.236 0.020 A 77 GLU C C 13 174.526 0.3 A 77 GLU CA C 13 54.587 0.3 A 77 GLU CB C 13 34.653 0.3 A 77 GLU CG C 13 36.030 0.3 A 77 GLU N N 15 123.441 0.3 A 78 LEU H H 1 8.916 0.020 A 78 LEU HA H 1 4.625 0.020 A 78 LEU HBx H 1 1.585 0.020 A 78 LEU HBy H 1 1.850 0.020 A 78 LEU HDx% H 1 0.929 0.020 A 78 LEU HDy% H 1 0.999 0.020 A 78 LEU HG H 1 1.725 0.020 A 78 LEU C C 13 177.033 0.3 A 78 LEU CA C 13 55.544 0.3 A 78 LEU CB C 13 42.750 0.3 A 78 LEU CD1 C 13 25.729 0.3 A 78 LEU CD2 C 13 24.783 0.3 A 78 LEU CG C 13 27.263 0.3 A 78 LEU N N 15 123.907 0.3 A 79 THR H H 1 8.351 0.020 A 79 THR HA H 1 4.594 0.020 A 79 THR HB H 1 4.164 0.020 A 79 THR HG2% H 1 1.273 0.020 A 79 THR C C 13 174.200 0.3 A 79 THR CA C 13 61.834 0.3 A 79 THR CB C 13 70.168 0.3 A 79 THR CG2 C 13 22.053 0.3 A 79 THR N N 15 116.959 0.3 A 80 VAL H H 1 8.291 0.020 A 80 VAL HA H 1 4.252 0.020 A 80 VAL HB H 1 2.093 0.020 A 80 VAL HGx% H 1 0.935 0.020 A 80 VAL HGy% H 1 0.963 0.020 A 80 VAL C C 13 176.343 0.3 A 80 VAL CA C 13 62.189 0.3 A 80 VAL CB C 13 33.492 0.3 A 80 VAL CG1 C 13 20.516 0.3 A 80 VAL CG2 C 13 21.349 0.3 A 80 VAL N N 15 120.965 0.3 A 81 GLY H H 1 8.536 0.020 A 81 GLY HAx H 1 3.944 0.020 A 81 GLY HAy H 1 4.005 0.020 A 81 GLY C C 13 174.583 0.3 A 81 GLY CA C 13 45.169 0.3 A 81 GLY N N 15 112.599 0.3 A 82 GLY H H 1 8.310 0.020 A 82 GLY HAx H 1 3.896 0.020 A 82 GLY HAy H 1 3.981 0.020 A 82 GLY C C 13 174.742 0.3 A 82 GLY CA C 13 45.309 0.3 A 82 GLY N N 15 108.844 0.3 A 85 ASN H H 1 8.419 0.020 A 85 ASN HA H 1 4.747 0.020 A 85 ASN HB2 H 1 2.793 0.020 A 85 ASN HB3 H 1 2.793 0.020 A 85 ASN C C 13 175.653 0.3 A 85 ASN CA C 13 52.966 0.3 A 85 ASN CB C 13 38.706 0.3 A 85 ASN N N 15 118.938 0.3 A 86 SER H H 1 8.421 0.020 A 86 SER HA H 1 4.303 0.020 A 86 SER HB2 H 1 3.896 0.020 A 86 SER HB3 H 1 3.896 0.020 A 86 SER C C 13 175.187 0.3 A 86 SER CA C 13 59.581 0.3 A 86 SER CB C 13 63.659 0.3 A 86 SER N N 15 116.541 0.3 A 87 GLN H H 1 8.486 0.020 A 87 GLN HA H 1 4.141 0.020 A 87 GLN HBx H 1 2.036 0.020 A 87 GLN HBy H 1 2.106 0.020 A 87 GLN HG2 H 1 2.361 0.020 A 87 GLN HG3 H 1 2.361 0.020 A 87 GLN C C 13 176.998 0.3 A 87 GLN CA C 13 57.420 0.3 A 87 GLN CB C 13 28.712 0.3 A 87 GLN CG C 13 33.744 0.3 A 87 GLN N N 15 122.004 0.3 A 88 GLU H H 1 8.317 0.020 A 88 GLU HA H 1 4.146 0.020 A 88 GLU HB2 H 1 1.999 0.020 A 88 GLU HB3 H 1 1.999 0.020 A 88 GLU HGx H 1 2.230 0.020 A 88 GLU HGy H 1 2.299 0.020 A 88 GLU C C 13 177.665 0.3 A 88 GLU CA C 13 57.941 0.3 A 88 GLU CB C 13 29.767 0.3 A 88 GLU CG C 13 36.426 0.3 A 88 GLU N N 15 120.822 0.3 A 89 ARG H H 1 8.135 0.020 A 89 ARG HA H 1 4.166 0.020 A 89 ARG HB2 H 1 1.832 0.020 A 89 ARG HB3 H 1 1.832 0.020 A 89 ARG HD2 H 1 3.150 0.020 A 89 ARG HD3 H 1 3.150 0.020 A 89 ARG HGy H 1 1.648 0.020 A 89 ARG HGx H 1 1.560 0.020 A 89 ARG C C 13 177.496 0.3 A 89 ARG CA C 13 57.628 0.3 A 89 ARG CB C 13 30.163 0.3 A 89 ARG CD C 13 43.314 0.3 A 89 ARG CG C 13 27.074 0.3 A 89 ARG N N 15 120.373 0.3 A 90 LEU H H 1 8.110 0.020 A 90 LEU HA H 1 4.180 0.020 A 90 LEU HB2 H 1 1.712 0.020 A 90 LEU HB3 H 1 1.712 0.020 A 90 LEU HD1% H 1 0.833 0.020 A 90 LEU HD2% H 1 0.833 0.020 A 90 LEU HG H 1 1.576 0.020 A 90 LEU C C 13 178.491 0.3 A 90 LEU CA C 13 56.456 0.3 A 90 LEU CB C 13 41.786 0.3 A 90 LEU CD1 C 13 23.521 0.3 A 90 LEU CD2 C 13 24.826 0.3 A 90 LEU CG C 13 27.001 0.3 A 90 LEU N N 15 121.354 0.3 A 91 GLU H H 1 8.270 0.020 A 91 GLU HA H 1 4.128 0.020 A 91 GLU HB2 H 1 2.023 0.020 A 91 GLU HB3 H 1 2.023 0.020 A 91 GLU HG2 H 1 2.279 0.020 A 91 GLU HG3 H 1 2.279 0.020 A 91 GLU C C 13 177.634 0.3 A 91 GLU CA C 13 57.888 0.3 A 91 GLU CB C 13 29.649 0.3 A 91 GLU CG C 13 36.209 0.3 A 91 GLU N N 15 120.661 0.3 A 92 LYS H H 1 8.033 0.020 A 92 LYS HA H 1 4.202 0.020 A 92 LYS HB2 H 1 1.836 0.020 A 92 LYS HB3 H 1 1.836 0.020 A 92 LYS HD2 H 1 1.653 0.020 A 92 LYS HD3 H 1 1.653 0.020 A 92 LYS HE2 H 1 2.958 0.020 A 92 LYS HE3 H 1 2.958 0.020 A 92 LYS HG2 H 1 1.424 0.020 A 92 LYS HG3 H 1 1.424 0.020 A 92 LYS C C 13 177.708 0.3 A 92 LYS CA C 13 57.562 0.3 A 92 LYS CB C 13 32.606 0.3 A 92 LYS CD C 13 28.959 0.3 A 92 LYS CE C 13 42.190 0.3 A 92 LYS CG C 13 25.189 0.3 A 92 LYS N N 15 120.054 0.3 A 93 LEU H H 1 7.920 0.020 A 93 LEU HA H 1 4.224 0.020 A 93 LEU HB2 H 1 1.712 0.020 A 93 LEU HB3 H 1 1.712 0.020 A 93 LEU HD1% H 1 0.849 0.020 A 93 LEU HD2% H 1 0.849 0.020 A 93 LEU HG H 1 1.594 0.020 A 93 LEU C C 13 177.867 0.3 A 93 LEU CA C 13 55.974 0.3 A 93 LEU CB C 13 42.183 0.3 A 93 LEU CD1 C 13 23.449 0.3 A 93 LEU CD2 C 13 24.971 0.3 A 93 LEU CG C 13 26.856 0.3 A 93 LEU N N 15 120.994 0.3 A 94 LYS H H 1 8.065 0.020 A 94 LYS HA H 1 4.199 0.020 A 94 LYS HB2 H 1 1.824 0.020 A 94 LYS HB3 H 1 1.824 0.020 A 94 LYS HD2 H 1 1.664 0.020 A 94 LYS HD3 H 1 1.664 0.020 A 94 LYS HE2 H 1 2.950 0.020 A 94 LYS HE3 H 1 2.950 0.020 A 94 LYS HGx H 1 1.382 0.020 A 94 LYS HGy H 1 1.465 0.020 A 94 LYS C C 13 176.945 0.3 A 94 LYS CA C 13 57.263 0.3 A 94 LYS CB C 13 32.739 0.3 A 94 LYS CD C 13 29.104 0.3 A 94 LYS CE C 13 42.154 0.3 A 94 LYS CG C 13 24.754 0.3 A 94 LYS N N 15 120.594 0.3 A 95 ASN H H 1 8.221 0.020 A 95 ASN HA H 1 4.660 0.020 A 95 ASN HB2 H 1 2.823 0.020 A 95 ASN HB3 H 1 2.823 0.020 A 95 ASN C C 13 175.643 0.3 A 95 ASN CA C 13 53.692 0.3 A 95 ASN CB C 13 39.181 0.3 A 95 ASN N N 15 118.589 0.3 A 96 LYS H H 1 8.239 0.020 A 96 LYS HA H 1 4.259 0.020 A 96 LYS HB2 H 1 1.816 0.020 A 96 LYS HB3 H 1 1.816 0.020 A 96 LYS HD2 H 1 1.664 0.020 A 96 LYS HD3 H 1 1.664 0.020 A 96 LYS HE2 H 1 2.966 0.020 A 96 LYS HE3 H 1 2.966 0.020 A 96 LYS HG2 H 1 1.416 0.020 A 96 LYS HG3 H 1 1.416 0.020 A 96 LYS C C 13 176.543 0.3 A 96 LYS CA C 13 57.127 0.3 A 96 LYS CB C 13 32.739 0.3 A 96 LYS CD C 13 29.031 0.3 A 96 LYS CE C 13 42.081 0.3 A 96 LYS CG C 13 24.464 0.3 A 96 LYS N N 15 121.692 0.3 A 97 ASN H H 1 8.424 0.020 A 97 ASN HA H 1 4.695 0.020 A 97 ASN HBx H 1 2.750 0.020 A 97 ASN HBy H 1 2.846 0.020 A 97 ASN C C 13 175.515 0.3 A 97 ASN CA C 13 53.709 0.3 A 97 ASN CB C 13 38.584 0.3 A 97 ASN N N 15 119.144 0.3 A 98 ILE H H 1 7.981 0.020 A 98 ILE HA H 1 4.101 0.020 A 98 ILE HB H 1 1.880 0.020 A 98 ILE HD1% H 1 0.838 0.020 A 98 ILE HG1x H 1 1.153 0.020 A 98 ILE HG1y H 1 1.479 0.020 A 98 ILE HG2% H 1 0.870 0.020 A 98 ILE C C 13 176.426 0.3 A 98 ILE CA C 13 62.056 0.3 A 98 ILE CB C 13 38.616 0.3 A 98 ILE CD1 C 13 13.107 0.3 A 98 ILE CG1 C 13 27.436 0.3 A 98 ILE CG2 C 13 17.359 0.3 A 98 ILE N N 15 121.314 0.3 A 99 LYS H H 1 8.276 0.020 A 99 LYS HA H 1 4.303 0.020 A 99 LYS HB2 H 1 1.816 0.020 A 99 LYS HB3 H 1 1.816 0.020 A 99 LYS HD2 H 1 1.672 0.020 A 99 LYS HD3 H 1 1.672 0.020 A 99 LYS HE2 H 1 2.974 0.020 A 99 LYS HE3 H 1 2.974 0.020 A 99 LYS HG2 H 1 1.416 0.020 A 99 LYS HG3 H 1 1.416 0.020 A 99 LYS C C 13 177.125 0.3 A 99 LYS CA C 13 56.811 0.3 A 99 LYS CB C 13 32.540 0.3 A 99 LYS CD C 13 28.741 0.3 A 99 LYS CE C 13 42.226 0.3 A 99 LYS CG C 13 24.754 0.3 A 99 LYS N N 15 124.370 0.3 A 100 LEU H H 1 8.226 0.020 A 100 LEU HA H 1 4.264 0.020 A 100 LEU HB2 H 1 1.567 0.020 A 100 LEU HB3 H 1 1.567 0.020 A 100 LEU HD1% H 1 0.873 0.020 A 100 LEU HD2% H 1 0.873 0.020 A 100 LEU HG H 1 1.661 0.020 A 100 LEU C C 13 177.951 0.3 A 100 LEU CA C 13 56.070 0.3 A 100 LEU CB C 13 42.117 0.3 A 100 LEU CD1 C 13 23.521 0.3 A 100 LEU CD2 C 13 24.826 0.3 A 100 LEU CG C 13 27.001 0.3 A 100 LEU N N 15 122.924 0.3 A 101 ASP H H 1 8.301 0.020 A 101 ASP HA H 1 4.516 0.020 A 101 ASP HB2 H 1 2.664 0.020 A 101 ASP HB3 H 1 2.664 0.020 A 101 ASP C C 13 177.273 0.3 A 101 ASP CA C 13 55.464 0.3 A 101 ASP CB C 13 40.862 0.3 A 101 ASP N N 15 120.711 0.3 A 102 GLU H H 1 8.307 0.020 A 102 GLU HA H 1 4.154 0.020 A 102 GLU HB2 H 1 2.039 0.020 A 102 GLU HB3 H 1 2.039 0.020 A 102 GLU HGx H 1 2.210 0.020 A 102 GLU HGy H 1 2.293 0.020 A 102 GLU C C 13 177.602 0.3 A 102 GLU CA C 13 57.956 0.3 A 102 GLU CB C 13 29.394 0.3 A 102 GLU CG C 13 36.354 0.3 A 102 GLU N N 15 120.814 0.3 A 103 GLU H H 1 8.339 0.020 A 103 GLU HA H 1 4.172 0.020 A 103 GLU HB2 H 1 2.031 0.020 A 103 GLU HB3 H 1 2.031 0.020 A 103 GLU HGx H 1 2.223 0.020 A 103 GLU HGy H 1 2.349 0.020 A 103 GLU C C 13 177.591 0.3 A 103 GLU CA C 13 57.732 0.3 A 103 GLU CB C 13 29.652 0.3 A 103 GLU CG C 13 36.354 0.3 A 103 GLU N N 15 121.054 0.3 A 104 ARG H H 1 8.202 0.020 A 104 ARG HA H 1 4.180 0.020 A 104 ARG HBx H 1 1.859 0.020 A 104 ARG HBy H 1 1.911 0.020 A 104 ARG HD2 H 1 3.214 0.020 A 104 ARG HD3 H 1 3.214 0.020 A 104 ARG HGx H 1 1.584 0.020 A 104 ARG HGy H 1 1.680 0.020 A 104 ARG C C 13 177.305 0.3 A 104 ARG CA C 13 57.581 0.3 A 104 ARG CB C 13 30.263 0.3 A 104 ARG CD C 13 43.351 0.3 A 104 ARG CG C 13 27.146 0.3 A 104 ARG N N 15 121.156 0.3 A 105 LYS H H 1 8.168 0.020 A 105 LYS HA H 1 4.161 0.020 A 105 LYS HB2 H 1 1.848 0.020 A 105 LYS HB3 H 1 1.848 0.020 A 105 LYS HD2 H 1 1.656 0.020 A 105 LYS HD3 H 1 1.656 0.020 A 105 LYS HE2 H 1 2.966 0.020 A 105 LYS HE3 H 1 2.966 0.020 A 105 LYS HG2 H 1 1.408 0.020 A 105 LYS HG3 H 1 1.408 0.020 A 105 LYS C C 13 177.750 0.3 A 105 LYS CA C 13 57.706 0.3 A 105 LYS CB C 13 32.606 0.3 A 105 LYS CD C 13 29.249 0.3 A 105 LYS CE C 13 42.009 0.3 A 105 LYS CG C 13 25.044 0.3 A 105 LYS N N 15 121.183 0.3 A 106 GLU H H 1 8.349 0.020 A 106 GLU HA H 1 4.180 0.020 A 106 GLU HB2 H 1 2.031 0.020 A 106 GLU HB3 H 1 2.031 0.020 A 106 GLU HGx H 1 2.232 0.020 A 106 GLU HGy H 1 2.292 0.020 A 106 GLU C C 13 177.305 0.3 A 106 GLU CA C 13 57.836 0.3 A 106 GLU CB C 13 29.767 0.3 A 106 GLU CG C 13 36.278 0.3 A 106 GLU N N 15 121.006 0.3 A 107 ARG H H 1 8.190 0.020 A 107 ARG HA H 1 4.209 0.020 A 107 ARG HB2 H 1 1.856 0.020 A 107 ARG HB3 H 1 1.856 0.020 A 107 ARG HD2 H 1 3.190 0.020 A 107 ARG HD3 H 1 3.190 0.020 A 107 ARG HG2 H 1 1.616 0.020 A 107 ARG HG3 H 1 1.616 0.020 A 107 ARG C C 13 177.242 0.3 A 107 ARG CA C 13 57.394 0.3 A 107 ARG CB C 13 30.229 0.3 A 107 ARG CD C 13 43.386 0.3 A 107 ARG CG C 13 27.146 0.3 A 107 ARG N N 15 120.941 0.3 A 108 LEU H H 1 8.164 0.020 A 108 LEU HA H 1 4.337 0.020 A 108 LEU HB2 H 1 1.720 0.020 A 108 LEU HB3 H 1 1.720 0.020 A 108 LEU HD1% H 1 0.881 0.020 A 108 LEU HD2% H 1 0.881 0.020 A 108 LEU HG H 1 1.624 0.020 A 108 LEU C C 13 178.121 0.3 A 108 LEU CA C 13 56.117 0.3 A 108 LEU CB C 13 42.050 0.3 A 108 LEU CD1 C 13 23.376 0.3 A 108 LEU CD2 C 13 24.899 0.3 A 108 LEU CG C 13 26.929 0.3 A 108 LEU N N 15 121.593 0.3 A 109 THR H H 1 8.069 0.020 A 109 THR HA H 1 4.190 0.020 A 109 THR HB H 1 4.177 0.020 A 109 THR C C 13 174.848 0.3 A 109 THR CA C 13 63.331 0.3 A 109 THR CB C 13 69.656 0.3 A 109 THR CG2 C 13 21.636 0.3 A 109 THR N N 15 114.646 0.3 A 110 LYS H H 1 8.111 0.020 A 110 LYS HA H 1 4.285 0.020 A 110 LYS HB2 H 1 1.824 0.020 A 110 LYS HB3 H 1 1.824 0.020 A 110 LYS HD2 H 1 1.672 0.020 A 110 LYS HD3 H 1 1.672 0.020 A 110 LYS HE2 H 1 2.982 0.020 A 110 LYS HE3 H 1 2.982 0.020 A 110 LYS HG2 H 1 1.440 0.020 A 110 LYS HG3 H 1 1.440 0.020 A 110 LYS C C 13 176.659 0.3 A 110 LYS CA C 13 56.925 0.3 A 110 LYS CB C 13 32.805 0.3 A 110 LYS CD C 13 28.959 0.3 A 110 LYS CE C 13 42.081 0.3 A 110 LYS CG C 13 24.826 0.3 A 110 LYS N N 15 122.783 0.3 A 111 MET H H 1 8.209 0.020 A 111 MET HA H 1 4.426 0.020 A 111 MET HBx H 1 2.002 0.020 A 111 MET HBy H 1 2.087 0.020 A 111 MET HGx H 1 2.535 0.020 A 111 MET HGy H 1 2.603 0.020 A 111 MET C C 13 176.733 0.3 A 111 MET CA C 13 56.091 0.3 A 111 MET CB C 13 32.755 0.3 A 111 MET CG C 13 32.005 0.3 A 111 MET N N 15 120.833 0.3 A 112 ILE H H 1 8.148 0.020 A 112 ILE HA H 1 4.085 0.020 A 112 ILE HB H 1 1.856 0.020 A 112 ILE HD1% H 1 0.890 0.020 A 112 ILE HG12 H 1 1.490 0.020 A 112 ILE HG13 H 1 1.490 0.020 A 112 ILE HG2% H 1 1.170 0.020 A 112 ILE C C 13 176.331 0.3 A 112 ILE CA C 13 61.717 0.3 A 112 ILE CB C 13 38.616 0.3 A 112 ILE CD1 C 13 13.009 0.3 A 112 ILE CG1 C 13 27.509 0.3 A 112 ILE CG2 C 13 17.504 0.3 A 112 ILE N N 15 121.720 0.3 A 113 ASN H H 1 8.486 0.020 A 113 ASN HA H 1 4.738 0.020 A 113 ASN HBx H 1 2.758 0.020 A 113 ASN HBy H 1 2.846 0.020 A 113 ASN C C 13 175.240 0.3 A 113 ASN CA C 13 53.461 0.3 A 113 ASN CB C 13 38.748 0.3 A 113 ASN N N 15 122.188 0.3 A 114 ASP H H 1 8.365 0.020 A 114 ASP HA H 1 4.548 0.020 A 114 ASP HBx H 1 2.680 0.020 A 114 ASP HBy H 1 2.731 0.020 A 114 ASP C C 13 177.199 0.3 A 114 ASP CA C 13 54.599 0.3 A 114 ASP CB C 13 41.092 0.3 A 114 ASP N N 15 121.417 0.3 A 115 GLY H H 1 8.376 0.020 A 115 GLY HAx H 1 3.950 0.020 A 115 GLY HAy H 1 3.971 0.020 A 115 GLY C C 13 174.658 0.3 A 115 GLY CA C 13 45.805 0.3 A 115 GLY N N 15 108.912 0.3 A 116 ASN H H 1 8.317 0.020 A 116 ASN HA H 1 4.721 0.020 A 116 ASN HB2 H 1 2.830 0.020 A 116 ASN HB3 H 1 2.830 0.020 A 116 ASN C C 13 175.653 0.3 A 116 ASN CA C 13 53.558 0.3 A 116 ASN CB C 13 38.682 0.3 A 116 ASN N N 15 118.662 0.3 A 117 GLN H H 1 8.310 0.020 A 117 GLN HA H 1 4.276 0.020 A 117 GLN HBx H 1 2.007 0.020 A 117 GLN HBy H 1 2.126 0.020 A 117 GLN HG2 H 1 2.367 0.020 A 117 GLN HG3 H 1 2.367 0.020 A 117 GLN C C 13 176.172 0.3 A 117 GLN CA C 13 56.320 0.3 A 117 GLN CB C 13 29.107 0.3 A 117 GLN CG C 13 33.816 0.3 A 117 GLN N N 15 120.202 0.3 A 118 LYS H H 1 8.270 0.020 A 118 LYS HA H 1 4.268 0.020 A 118 LYS HB2 H 1 1.776 0.020 A 118 LYS HB3 H 1 1.776 0.020 A 118 LYS HD2 H 1 1.672 0.020 A 118 LYS HD3 H 1 1.672 0.020 A 118 LYS HE2 H 1 2.974 0.020 A 118 LYS HE3 H 1 2.974 0.020 A 118 LYS HG2 H 1 1.416 0.020 A 118 LYS HG3 H 1 1.416 0.020 A 118 LYS C C 13 176.522 0.3 A 118 LYS CA C 13 56.420 0.3 A 118 LYS CB C 13 32.750 0.3 A 118 LYS CD C 13 29.031 0.3 A 118 LYS CG C 13 24.754 0.3 A 118 LYS N N 15 121.910 0.3 A 119 LYS H H 1 8.259 0.020 A 119 LYS HA H 1 4.322 0.020 A 119 LYS HB2 H 1 1.776 0.020 A 119 LYS HB3 H 1 1.776 0.020 A 119 LYS HD2 H 1 1.680 0.020 A 119 LYS HD3 H 1 1.680 0.020 A 119 LYS HE2 H 1 2.982 0.020 A 119 LYS HE3 H 1 2.982 0.020 A 119 LYS HG2 H 1 1.400 0.020 A 119 LYS HG3 H 1 1.400 0.020 A 119 LYS C C 13 176.447 0.3 A 119 LYS CA C 13 56.248 0.3 A 119 LYS CB C 13 32.805 0.3 A 119 LYS CD C 13 29.031 0.3 A 119 LYS CE C 13 42.154 0.3 A 119 LYS CG C 13 24.681 0.3 A 119 LYS N N 15 122.648 0.3 A 120 ILE H H 1 8.166 0.020 A 120 ILE HA H 1 4.146 0.020 A 120 ILE HB H 1 1.824 0.020 A 120 ILE HD1% H 1 0.873 0.020 A 120 ILE HG1x H 1 1.169 0.020 A 120 ILE HG1y H 1 1.468 0.020 A 120 ILE HG2% H 1 0.895 0.020 A 120 ILE C C 13 175.939 0.3 A 120 ILE CA C 13 60.858 0.3 A 120 ILE CB C 13 38.682 0.3 A 120 ILE CD1 C 13 12.864 0.3 A 120 ILE CG1 C 13 27.146 0.3 A 120 ILE CG2 C 13 17.359 0.3 A 120 ILE N N 15 122.642 0.3 A 121 ALA H H 1 8.395 0.020 A 121 ALA HA H 1 4.337 0.020 A 121 ALA HB% H 1 1.376 0.020 A 121 ALA C C 13 177.507 0.3 A 121 ALA CA C 13 52.288 0.3 A 121 ALA CB C 13 19.200 0.3 A 121 ALA N N 15 128.800 0.3 A 122 LYS H H 1 8.364 0.020 A 122 LYS HA H 1 4.356 0.020 A 122 LYS HB2 H 1 1.808 0.020 A 122 LYS HB3 H 1 1.808 0.020 A 122 LYS HD2 H 1 1.688 0.020 A 122 LYS HD3 H 1 1.688 0.020 A 122 LYS HE2 H 1 2.990 0.020 A 122 LYS HE3 H 1 2.990 0.020 A 122 LYS HG2 H 1 1.448 0.020 A 122 LYS HG3 H 1 1.448 0.020 A 122 LYS C C 13 176.839 0.3 A 122 LYS CA C 13 56.382 0.3 A 122 LYS CB C 13 33.135 0.3 A 122 LYS CD C 13 29.104 0.3 A 122 LYS CE C 13 42.081 0.3 A 122 LYS CG C 13 24.826 0.3 A 122 LYS N N 15 121.379 0.3 A 123 THR H H 1 8.251 0.020 A 123 THR HA H 1 4.413 0.020 A 123 THR HB H 1 4.236 0.020 A 123 THR HG2% H 1 1.193 0.020 A 123 THR C C 13 174.636 0.3 A 123 THR CA C 13 61.639 0.3 A 123 THR CB C 13 69.920 0.3 A 123 THR CG2 C 13 21.564 0.3 A 123 THR N N 15 115.664 0.3 A 124 THR H H 1 8.207 0.020 A 124 THR HA H 1 4.337 0.020 A 124 THR HB H 1 4.220 0.020 A 124 THR HG2% H 1 1.208 0.020 A 124 THR C C 13 174.297 0.3 A 124 THR CA C 13 61.795 0.3 A 124 THR CB C 13 69.854 0.3 A 124 THR CG2 C 13 21.564 0.3 A 124 THR N N 15 116.528 0.3 A 125 ALA H H 1 8.395 0.020 A 125 ALA HA H 1 4.398 0.020 A 125 ALA HB% H 1 1.392 0.020 A 125 ALA C C 13 177.941 0.3 A 125 ALA CA C 13 52.653 0.3 A 125 ALA CB C 13 19.266 0.3 A 125 ALA N N 15 126.768 0.3 A 126 THR H H 1 8.149 0.020 A 126 THR HA H 1 4.303 0.020 A 126 THR HB H 1 4.236 0.020 A 126 THR HG2% H 1 1.208 0.020 A 126 THR C C 13 174.435 0.3 A 126 THR CA C 13 61.795 0.3 A 126 THR CB C 13 69.854 0.3 A 126 THR CG2 C 13 21.491 0.3 A 126 THR N N 15 113.793 0.3 A 127 ALA H H 1 8.314 0.020 A 127 ALA HA H 1 4.311 0.020 A 127 ALA HB% H 1 1.384 0.020 A 127 ALA C C 13 177.454 0.3 A 127 ALA CA C 13 52.445 0.3 A 127 ALA CB C 13 19.068 0.3 A 127 ALA N N 15 126.611 0.3 A 128 ALA H H 1 8.274 0.020 A 128 ALA HA H 1 4.311 0.020 A 128 ALA HB% H 1 1.368 0.020 A 128 ALA C C 13 177.771 0.3 A 128 ALA CA C 13 52.471 0.3 A 128 ALA CB C 13 19.068 0.3 A 128 ALA N N 15 123.200 0.3 A 129 GLN H H 1 8.360 0.020 A 129 GLN HA H 1 4.405 0.020 A 129 GLN HBx H 1 2.018 0.020 A 129 GLN HBy H 1 2.135 0.020 A 129 GLN HG2 H 1 2.391 0.020 A 129 GLN HG3 H 1 2.391 0.020 A 129 GLN C C 13 176.278 0.3 A 129 GLN CA C 13 55.827 0.3 A 129 GLN CB C 13 29.514 0.3 A 129 GLN CG C 13 33.744 0.3 A 129 GLN N N 15 119.631 0.3 A 130 GLY H H 1 8.382 0.020 A 130 GLY HAx H 1 3.914 0.020 A 130 GLY HAy H 1 3.984 0.020 A 130 GLY C C 13 174.816 0.3 A 130 GLY CA C 13 45.223 0.3 A 130 GLY N N 15 108.703 0.3 A 130 THR HA% H 1 4.385 0.020 A 130 THR HB H 1 4.276 0.020 A 130 THR HG21 H 1 1.200 0.020 A 130 THR HG22 H 1 1.200 0.020 A 130 THR HG23 H 1 1.200 0.020 A 130 THR CB C 13 69.920 0.3 A 130 THR CG2 C 13 21.491 0.3 A 131 SER H H 1 8.365 0.020 A 131 SER HA H 1 4.516 0.020 A 131 SER HBx H 1 3.883 0.020 A 131 SER HBy H 1 3.904 0.020 A 131 SER C C 13 173.863 0.3 A 131 SER CA C 13 58.344 0.3 A 131 SER CB C 13 64.127 0.3 A 131 SER N N 15 118.061 0.3 A 132 GLY H H 1 8.357 0.020 A 132 GLY HAx H 1 3.919 0.020 A 132 GLY HAy H 1 3.980 0.020 A 132 GLY C C 13 174.043 0.3 A 132 GLY CA C 13 45.282 0.3 A 132 GLY N N 15 108.810 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 4 PHE HD% A 47 ALA H 1.0 . 5.50 2 2 A 47 ALA H A 46 ASP HA 1.0 . 3.50 3 3 A 47 ALA H A 46 ASP HBy 1.0 . 5.37 4 4 A 47 ALA H A 3 ARG HB2 1.0 . 4.78 5 4 A 47 ALA H A 3 ARG HB3 1.0 . 4.78 6 5 A 6 VAL HB A 7 PHE H 1.0 . 5.30 7 6 A 7 PHE H A 6 VAL H 1.0 . 4.69 8 7 A 7 PHE H A 77 GLU H 1.0 . 4.12 9 8 A 7 PHE H A 79 THR H 1.0 . 4.46 10 9 A 7 PHE H A 7 PHE HD% 1.0 . 4.61 11 10 A 7 PHE H A 7 PHE HBy 1.0 . 3.26 12 10 A 7 PHE H A 7 PHE HBx 1.0 . 3.26 13 11 A 7 PHE H A 79 THR HG2% 1.0 . 4.67 14 12 A 7 PHE H A 6 VAL HGy% 1.0 . 4.21 15 13 A 6 VAL H A 43 LEU HDx% 1.0 . 5.50 16 14 A 6 VAL H A 45 PHE HD% 1.0 . 4.56 17 15 A 6 VAL H A 43 LEU HBy 1.0 . 4.23 18 16 A 35 ARG H A 42 PHE H 1.0 . 4.82 19 17 A 35 ARG H A 36 ALA HA 1.0 . 5.09 20 18 A 35 ARG H A 35 ARG HBy 1.0 . 3.81 21 19 A 35 ARG H A 40 ILE HG1y 1.0 . 5.16 22 20 A 35 ARG H A 34 LEU HBx 1.0 . 4.37 23 21 A 35 ARG H A 41 ALA HB% 1.0 . 4.17 24 22 A 35 ARG H A 34 LEU HDy% 1.0 . 3.77 25 23 A 41 ALA HB% A 33 ARG H 1.0 . 5.09 26 24 A 33 ARG H A 42 PHE HD% 1.0 . 5.50 27 25 A 33 ARG H A 42 PHE HBx 1.0 . 4.63 28 26 A 42 PHE H A 33 ARG H 1.0 . 3.99 29 27 A 33 ARG H A 42 PHE HA 1.0 . 5.40 30 28 A 33 ARG H A 42 PHE HBy 1.0 . 5.09 31 29 A 33 ARG H A 33 ARG HBy 1.0 . 3.76 32 30 A 33 ARG H A 32 ILE HG1x 1.0 . 4.70 33 31 A 36 ALA H A 39 GLY H 1.0 . 5.46 34 32 A 36 ALA H A 35 ARG HD2 1.0 . 5.50 35 32 A 36 ALA H A 35 ARG HD3 1.0 . 5.50 36 33 A 35 ARG HBy A 36 ALA H 1.0 . 5.39 37 34 A 36 ALA H A 36 ALA HB% 1.0 . 4.00 38 35 A 7 PHE H A 8 VAL H 1.0 . 5.28 39 36 A 8 VAL H A 41 ALA H 1.0 . 3.86 40 37 A 8 VAL H A 7 PHE HE% 1.0 . 5.29 41 38 A 7 PHE HD% A 8 VAL H 1.0 . 4.64 42 39 A 8 VAL H A 7 PHE HA 1.0 . 3.16 43 40 A 8 VAL H A 7 PHE HBy 1.0 . 4.21 44 40 A 7 PHE HBx A 8 VAL H 1.0 . 4.21 45 41 A 8 VAL H A 8 VAL HB 1.0 . 3.65 46 42 A 8 VAL H A 8 VAL HGy% 1.0 . 4.49 47 43 A 8 VAL H A 8 VAL HGx% 1.0 . 4.11 48 44 A 76 VAL H A 76 VAL HB 1.0 . 3.96 49 45 A 33 ARG H A 34 LEU H 1.0 . 5.07 50 46 A 34 LEU H A 34 LEU HBy 1.0 . 3.36 51 47 A 34 LEU HBx A 34 LEU H 1.0 . 3.71 52 48 A 41 ALA HB% A 34 LEU H 1.0 . 5.50 53 49 A 34 LEU H A 20 LEU HDx% 1.0 . 4.78 54 50 A 34 LEU H A 32 ILE HG2% 1.0 . 4.80 55 51 A 69 LEU H A 73 LYS HA 1.0 . 4.13 56 52 A 69 LEU H A 71 GLU HA 1.0 . 5.50 57 53 A 69 LEU H A 68 LEU HBy 1.0 . 4.31 58 54 A 69 LEU H A 69 LEU HBy 1.0 . 3.66 59 55 A 69 LEU H A 68 LEU HBx 1.0 . 3.93 60 56 A 69 LEU H A 74 ILE HG2% 1.0 . 4.19 61 57 A 69 LEU H A 68 LEU HDx% 1.0 . 4.38 62 58 A 69 LEU H A 69 LEU HBx 1.0 . 3.88 63 59 A 47 ALA H A 46 ASP H 1.0 . 4.97 64 60 A 45 PHE HD% A 46 ASP H 1.0 . 5.03 65 61 A 46 ASP H A 45 PHE HBy 1.0 . 4.70 66 62 A 46 ASP HBy A 46 ASP H 1.0 . 3.40 67 63 A 46 ASP H A 46 ASP HBx 1.0 . 3.45 68 64 A 46 ASP H A 44 GLU HB2 1.0 . 5.25 69 64 A 46 ASP H A 44 GLU HB3 1.0 . 5.25 70 65 A 46 ASP H A 54 ILE HD1% 1.0 . 4.99 71 66 A 69 LEU H A 70 LYS H 1.0 . 4.55 72 67 A 70 LYS H A 71 GLU H 1.0 . 3.82 73 68 A 70 LYS H A 70 LYS HE2 1.0 . 5.29 74 68 A 70 LYS H A 70 LYS HE3 1.0 . 5.29 75 69 A 70 LYS H A 70 LYS HBy 1.0 . 4.19 76 70 A 70 LYS H A 70 LYS HG2 1.0 . 3.82 77 70 A 70 LYS H A 70 LYS HG3 1.0 . 3.82 78 71 A 70 LYS H A 69 LEU HG 1.0 . 4.95 79 72 A 69 LEU HBx A 70 LYS H 1.0 . 4.37 80 73 A 73 LYS H A 74 ILE H 1.0 . 4.46 81 74 A 73 LYS H A 72 LYS H 1.0 . 4.66 82 75 A 73 LYS H A 72 LYS HBy 1.0 . 3.91 83 76 A 73 LYS H A 73 LYS HBy 1.0 . 3.14 84 77 A 73 LYS H A 73 LYS HBx 1.0 . 3.31 85 78 A 73 LYS H A 73 LYS HG2 1.0 . 4.86 86 78 A 73 LYS H A 73 LYS HG3 1.0 . 4.86 87 79 A 74 ILE HG2% A 73 LYS H 1.0 . 5.05 88 80 A 68 LEU HDx% A 73 LYS H 1.0 . 4.57 89 81 A 24 PHE HD% A 61 ALA H 1.0 . 5.50 90 82 A 61 ALA H A 59 ASP HBy 1.0 . 5.37 91 83 A 61 ALA H A 60 ILE HG1x 1.0 . 5.33 92 84 A 61 ALA H A 62 LEU H 1.0 . 3.42 93 85 A 61 ALA H A 58 MET H 1.0 . 4.98 94 86 A 61 ALA H A 60 ILE HB 1.0 . 3.46 95 87 A 61 ALA H A 61 ALA HB% 1.0 . 3.32 96 88 A 61 ALA H A 60 ILE HG2% 1.0 . 4.20 97 89 A 77 GLU H A 78 LEU H 1.0 . 5.30 98 90 A 79 THR H A 78 LEU H 1.0 . 4.99 99 91 A 78 LEU H A 77 GLU HA 1.0 . 2.99 100 92 A 78 LEU H A 78 LEU HDx% 1.0 . 3.94 101 93 A 8 VAL HGx% A 43 LEU H 1.0 . 4.97 102 94 A 8 VAL H A 43 LEU H 1.0 . 5.48 103 95 A 42 PHE HD% A 43 LEU H 1.0 . 4.45 104 96 A 42 PHE HBy A 43 LEU H 1.0 . 4.16 105 97 A 42 PHE HBx A 43 LEU H 1.0 . 4.48 106 98 A 6 VAL HB A 43 LEU H 1.0 . 4.31 107 99 A 43 LEU HBy A 43 LEU H 1.0 . 3.78 108 100 A 43 LEU H A 43 LEU HG 1.0 . 3.84 109 101 A 43 LEU H A 5 ILE HG2% 1.0 . 4.09 110 102 A 16 THR HB A 17 ALA H 1.0 . 3.62 111 103 A 17 ALA H A 18 VAL HB 1.0 . 5.29 112 104 A 17 ALA H A 17 ALA HB% 1.0 . 3.72 113 105 A 17 ALA H A 16 THR HG2% 1.0 . 4.67 114 106 A 20 LEU HDx% A 17 ALA H 1.0 . 4.69 115 107 A 77 GLU H A 76 VAL H 1.0 . 5.15 116 108 A 77 GLU H A 7 PHE HD% 1.0 . 4.75 117 109 A 77 GLU H A 78 LEU HA 1.0 . 4.97 118 110 A 77 GLU H A 77 GLU HGx 1.0 . 4.13 119 111 A 77 GLU H A 77 GLU HBx 1.0 . 4.20 120 112 A 77 GLU H A 6 VAL HGx% 1.0 . 4.37 121 113 A 77 GLU H A 8 VAL HA 1.0 . 4.43 122 114 A 77 GLU H A 7 PHE HBy 1.0 . 4.28 123 114 A 77 GLU H A 7 PHE HBx 1.0 . 4.28 124 115 A 77 GLU H A 76 VAL HGx% 1.0 . 4.08 125 116 A 47 ALA H A 4 PHE H 1.0 . 4.92 126 117 A 4 PHE HD% A 4 PHE H 1.0 . 4.05 127 118 A 46 ASP HA A 4 PHE H 1.0 . 4.66 128 119 A 4 PHE H A 4 PHE HB2 1.0 . 3.44 129 119 A 4 PHE H A 4 PHE HB3 1.0 . 3.44 130 120 A 4 PHE H A 3 ARG HD2 1.0 . 4.51 131 120 A 4 PHE H A 3 ARG HD3 1.0 . 4.51 132 121 A 4 PHE H A 3 ARG HB2 1.0 . 3.72 133 121 A 3 ARG HB3 A 4 PHE H 1.0 . 3.72 134 122 A 4 PHE H A 47 ALA HB% 1.0 . 4.67 135 123 A 54 ILE HD1% A 4 PHE H 1.0 . 5.20 136 124 A 4 PHE H A 5 ILE HD1% 1.0 . 5.50 137 125 A 76 VAL H A 65 HIS H 1.0 . 4.94 138 126 A 65 HIS H A 66 GLY H 1.0 . 4.33 139 127 A 65 HIS H A 63 LEU H 1.0 . 5.22 140 128 A 65 HIS H A 62 LEU HA 1.0 . 4.62 141 129 A 65 HIS H A 65 HIS HBy 1.0 . 3.21 142 130 A 65 HIS H A 65 HIS HBx 1.0 . 3.17 143 131 A 65 HIS H A 64 GLN HBy 1.0 . 4.97 144 132 A 76 VAL HB A 65 HIS H 1.0 . 3.74 145 133 A 65 HIS H A 64 GLN HBx 1.0 . 4.55 146 134 A 65 HIS H A 76 VAL HGy% 1.0 . 4.63 147 135 A 65 HIS H A 63 LEU HDx% 1.0 . 5.28 148 135 A 65 HIS H A 63 LEU HDy% 1.0 . 5.28 149 136 A 31 GLN H A 32 ILE H 1.0 . 4.66 150 137 A 33 ARG H A 32 ILE H 1.0 . 5.06 151 138 A 32 ILE H A 43 LEU HA 1.0 . 4.96 152 139 A 32 ILE H A 31 GLN HGy 1.0 . 4.11 153 139 A 32 ILE H A 31 GLN HGx 1.0 . 4.11 154 140 A 32 ILE H A 32 ILE HB 1.0 . 3.50 155 141 A 32 ILE HG1x A 32 ILE H 1.0 . 4.29 156 142 A 32 ILE H A 32 ILE HD1% 1.0 . 4.32 157 143 A 50 ASP HA A 51 ARG H 1.0 . 3.30 158 144 A 51 ARG H A 51 ARG HD2 1.0 . 5.32 159 144 A 51 ARG H A 51 ARG HD3 1.0 . 5.32 160 145 A 51 ARG H A 50 ASP HB2 1.0 . 4.57 161 145 A 51 ARG H A 50 ASP HB3 1.0 . 4.57 162 146 A 51 ARG H A 51 ARG HB2 1.0 . 3.36 163 146 A 51 ARG H A 51 ARG HB3 1.0 . 3.36 164 147 A 51 ARG H A 51 ARG HG2 1.0 . 3.91 165 147 A 51 ARG H A 51 ARG HG3 1.0 . 3.91 166 148 A 30 ASP H A 45 PHE HBx 1.0 . 5.50 167 149 A 30 ASP H A 44 GLU HB2 1.0 . 4.63 168 149 A 44 GLU HB3 A 30 ASP H 1.0 . 4.63 169 150 A 23 HIS H A 25 LYS H 1.0 . 4.49 170 151 A 25 LYS H A 24 PHE H 1.0 . 3.37 171 152 A 24 PHE HD% A 25 LYS H 1.0 . 4.81 172 153 A 25 LYS H A 22 ASN HA 1.0 . 3.98 173 154 A 25 LYS H A 24 PHE HBy 1.0 . 4.72 174 155 A 25 LYS H A 23 HIS HBx 1.0 . 5.17 175 156 A 25 LYS H A 24 PHE HBx 1.0 . 4.55 176 157 A 25 LYS H A 25 LYS HBy 1.0 . 3.32 177 158 A 25 LYS H A 25 LYS HBx 1.0 . 3.29 178 159 A 25 LYS H A 25 LYS HD2 1.0 . 4.54 179 159 A 25 LYS H A 25 LYS HD3 1.0 . 4.54 180 160 A 25 LYS H A 25 LYS HGy 1.0 . 3.66 181 161 A 25 LYS H A 25 LYS HGx 1.0 . 4.26 182 162 A 45 PHE HD% A 30 ASP H 1.0 . 4.53 183 163 A 46 ASP H A 30 ASP H 1.0 . 4.56 184 164 A 30 ASP H A 44 GLU H 1.0 . 5.27 185 165 A 30 ASP H A 45 PHE HA 1.0 . 3.84 186 166 A 30 ASP H A 30 ASP HBy 1.0 . 3.78 187 167 A 30 ASP H A 30 ASP HBx 1.0 . 3.53 188 168 A 30 ASP H A 29 PRO HBy 1.0 . 4.10 189 169 A 30 ASP H A 29 PRO HBx 1.0 . 4.11 190 170 A 72 LYS H A 68 LEU HDy% 1.0 . 5.03 191 171 A 41 ALA H A 40 ILE H 1.0 . 4.54 192 172 A 41 ALA H A 9 GLY HAx 1.0 . 4.92 193 173 A 41 ALA H A 40 ILE HB 1.0 . 3.26 194 174 A 41 ALA HB% A 41 ALA H 1.0 . 3.53 195 175 A 41 ALA H A 8 VAL HGx% 1.0 . 4.77 196 176 A 41 ALA H A 11 LEU HDy% 1.0 . 4.28 197 177 A 55 GLN H A 56 ARG H 1.0 . 3.53 198 178 A 55 GLN H A 54 ILE H 1.0 . 3.72 199 179 A 55 GLN H A 55 GLN HG2 1.0 . 3.93 200 179 A 55 GLN H A 55 GLN HG3 1.0 . 3.93 201 180 A 55 GLN H A 54 ILE HB 1.0 . 3.95 202 181 A 55 GLN H A 55 GLN HB2 1.0 . 2.90 203 181 A 55 GLN H A 55 GLN HB3 1.0 . 2.90 204 182 A 55 GLN H A 56 ARG HBx 1.0 . 5.13 205 183 A 55 GLN H A 54 ILE HG1x 1.0 . 5.11 206 184 A 55 GLN H A 54 ILE HG2% 1.0 . 3.48 207 185 A 69 LEU H A 72 LYS H 1.0 . 3.59 208 186 A 71 GLU H A 72 LYS H 1.0 . 3.57 209 187 A 72 LYS H A 68 LEU HA 1.0 . 4.40 210 188 A 72 LYS H A 72 LYS HBy 1.0 . 3.67 211 189 A 72 LYS H A 72 LYS HBx 1.0 . 3.38 212 190 A 72 LYS H A 72 LYS HD2 1.0 . 4.99 213 190 A 72 LYS H A 72 LYS HD3 1.0 . 4.99 214 191 A 72 LYS H A 72 LYS HGy 1.0 . 4.06 215 192 A 68 LEU HBx A 72 LYS H 1.0 . 4.73 216 193 A 68 LEU HDx% A 72 LYS H 1.0 . 4.98 217 194 A 4 PHE HD% A 5 ILE H 1.0 . 4.63 218 195 A 6 VAL H A 5 ILE H 1.0 . 4.78 219 196 A 5 ILE H A 4 PHE HB2 1.0 . 3.74 220 196 A 4 PHE HB3 A 5 ILE H 1.0 . 3.74 221 197 A 23 HIS H A 21 GLN H 1.0 . 5.12 222 198 A 24 PHE HD% A 23 HIS H 1.0 . 4.71 223 199 A 46 ASP H A 45 PHE H 1.0 . 4.91 224 200 A 45 PHE HD% A 45 PHE H 1.0 . 3.77 225 201 A 45 PHE H A 4 PHE HB2 1.0 . 4.30 226 201 A 4 PHE HB3 A 45 PHE H 1.0 . 4.30 227 202 A 45 PHE HBy A 45 PHE H 1.0 . 3.80 228 203 A 45 PHE H A 44 GLU HB2 1.0 . 4.05 229 203 A 44 GLU HB3 A 45 PHE H 1.0 . 4.05 230 204 A 5 ILE HG2% A 45 PHE H 1.0 . 5.24 231 205 A 5 ILE HD1% A 45 PHE H 1.0 . 5.50 232 206 A 23 HIS H A 23 HIS HD2 1.0 . 5.37 233 207 A 23 HIS H A 21 GLN HA 1.0 . 5.14 234 208 A 23 HIS H A 23 HIS HBy 1.0 . 3.00 235 209 A 23 HIS H A 22 ASN HB2 1.0 . 3.48 236 209 A 23 HIS H A 22 ASN HB3 1.0 . 3.48 237 210 A 23 HIS H A 21 GLN HB2 1.0 . 5.38 238 210 A 23 HIS H A 21 GLN HB3 1.0 . 5.38 239 211 A 23 HIS H A 24 PHE HA 1.0 . 5.50 240 212 A 44 GLU H A 45 PHE H 1.0 . 4.71 241 213 A 43 LEU HA A 44 GLU H 1.0 . 3.46 242 214 A 44 GLU H A 44 GLU HB2 1.0 . 3.42 243 214 A 44 GLU HB3 A 44 GLU H 1.0 . 3.42 244 215 A 44 GLU H A 43 LEU HBx 1.0 . 4.31 245 216 A 43 LEU HDx% A 44 GLU H 1.0 . 5.50 246 217 A 43 LEU H A 44 GLU H 1.0 . 4.87 247 218 A 76 VAL H A 75 ASN H 1.0 . 4.93 248 219 A 74 ILE H A 75 ASN H 1.0 . 4.53 249 220 A 75 ASN H A 74 ILE HB 1.0 . 3.37 250 221 A 75 ASN H A 74 ILE HG1y 1.0 . 5.50 251 222 A 75 ASN H A 74 ILE HG1x 1.0 . 4.95 252 223 A 76 VAL HGy% A 75 ASN H 1.0 . 5.49 253 224 A 8 VAL HGy% A 75 ASN H 1.0 . 4.94 254 225 A 74 ILE HG2% A 75 ASN H 1.0 . 4.32 255 226 A 75 ASN H A 74 ILE HD1% 1.0 . 4.74 256 227 A 44 GLU H A 32 ILE HA 1.0 . 4.56 257 228 A 43 LEU HG A 44 GLU H 1.0 . 5.40 258 229 A 44 GLU H A 30 ASP HBy 1.0 . 5.50 259 230 A 23 HIS H A 20 LEU H 1.0 . 5.00 260 231 A 20 LEU H A 22 ASN HB2 1.0 . 5.42 261 231 A 22 ASN HB3 A 20 LEU H 1.0 . 5.42 262 232 A 21 GLN H A 20 LEU H 1.0 . 3.35 263 233 A 20 LEU H A 17 ALA HA 1.0 . 4.02 264 234 A 20 LEU H A 19 GLU HBy 1.0 . 3.60 265 235 A 20 LEU H A 20 LEU HBx 1.0 . 3.21 266 236 A 13 ARG H A 13 ARG HBx 1.0 . 3.85 267 237 A 69 LEU H A 74 ILE H 1.0 . 4.69 268 238 A 74 ILE H A 67 THR H 1.0 . 4.77 269 239 A 74 ILE H A 68 LEU HA 1.0 . 4.00 270 240 A 74 ILE H A 66 GLY HAx 1.0 . 5.05 271 241 A 74 ILE H A 74 ILE HB 1.0 . 4.21 272 242 A 74 ILE H A 73 LYS HBy 1.0 . 4.23 273 243 A 74 ILE H A 74 ILE HG1y 1.0 . 3.30 274 244 A 74 ILE H A 74 ILE HG1x 1.0 . 3.67 275 245 A 74 ILE HG2% A 74 ILE H 1.0 . 3.72 276 246 A 74 ILE H A 74 ILE HD1% 1.0 . 4.16 277 247 A 5 ILE HB A 80 VAL H 1.0 . 5.50 278 248 A 4 PHE H A 3 ARG H 1.0 . 4.98 279 249 A 3 ARG H A 2 ASN HA 1.0 . 3.18 280 250 A 3 ARG H A 3 ARG HD2 1.0 . 4.99 281 250 A 3 ARG HD3 A 3 ARG H 1.0 . 4.99 282 251 A 3 ARG H A 2 ASN HB2 1.0 . 4.35 283 251 A 3 ARG H A 2 ASN HB3 1.0 . 4.35 284 252 A 3 ARG H A 3 ARG HB2 1.0 . 3.68 285 252 A 3 ARG HB3 A 3 ARG H 1.0 . 3.68 286 253 A 15 ILE H A 16 THR H 1.0 . 4.86 287 254 A 15 ILE H A 14 ASP HBy 1.0 . 4.48 288 255 A 15 ILE H A 14 ASP HBx 1.0 . 4.73 289 256 A 15 ILE H A 12 PRO HBy 1.0 . 4.89 290 257 A 15 ILE H A 12 PRO HBx 1.0 . 4.04 291 258 A 15 ILE H A 15 ILE HB 1.0 . 2.97 292 259 A 15 ILE H A 15 ILE HG1x 1.0 . 4.67 293 260 A 15 ILE H A 15 ILE HG2% 1.0 . 3.24 294 261 A 34 LEU HDy% A 15 ILE H 1.0 . 5.50 295 262 A 15 ILE H A 12 PRO HDx 1.0 . 4.87 296 263 A 62 LEU H A 63 LEU H 1.0 . 3.47 297 264 A 63 LEU H A 64 GLN H 1.0 . 3.31 298 265 A 63 LEU H A 64 GLN HE21 1.0 . 5.23 299 266 A 63 LEU H A 60 ILE HA 1.0 . 3.83 300 267 A 63 LEU H A 64 GLN HGy 1.0 . 4.95 301 268 A 63 LEU H A 63 LEU HBy 1.0 . 2.82 302 269 A 63 LEU H A 63 LEU HBx 1.0 . 3.51 303 270 A 63 LEU H A 63 LEU HDx% 1.0 . 3.72 304 270 A 63 LEU H A 63 LEU HDy% 1.0 . 3.72 305 271 A 54 ILE H A 50 ASP H 1.0 . 4.81 306 272 A 54 ILE H A 50 ASP HB2 1.0 . 4.78 307 272 A 50 ASP HB3 A 54 ILE H 1.0 . 4.78 308 273 A 54 ILE H A 53 GLY H 1.0 . 3.65 309 274 A 16 THR HA A 19 GLU H 1.0 . 4.61 310 275 A 54 ILE H A 55 GLN HA 1.0 . 5.50 311 276 A 54 ILE H A 54 ILE HB 1.0 . 3.23 312 277 A 54 ILE H A 54 ILE HG1y 1.0 . 4.58 313 278 A 54 ILE H A 54 ILE HG2% 1.0 . 3.50 314 279 A 54 ILE H A 51 ARG HA 1.0 . 4.94 315 280 A 19 GLU H A 22 ASN HB2 1.0 . 5.45 316 280 A 22 ASN HB3 A 19 GLU H 1.0 . 5.45 317 281 A 21 GLN H A 22 ASN H 1.0 . 3.50 318 282 A 21 GLN H A 19 GLU H 1.0 . 4.65 319 283 A 22 ASN HA A 21 GLN H 1.0 . 5.30 320 284 A 21 GLN H A 21 GLN HG2 1.0 . 3.66 321 284 A 21 GLN H A 21 GLN HG3 1.0 . 3.66 322 285 A 21 GLN H A 21 GLN HB2 1.0 . 2.91 323 285 A 21 GLN H A 21 GLN HB3 1.0 . 2.91 324 286 A 21 GLN H A 20 LEU HBy 1.0 . 3.75 325 287 A 21 GLN H A 20 LEU HBx 1.0 . 3.53 326 288 A 32 ILE HD1% A 21 GLN H 1.0 . 4.33 327 289 A 17 ALA HB% A 21 GLN H 1.0 . 5.50 328 290 A 16 THR HG2% A 19 GLU H 1.0 . 5.50 329 291 A 20 LEU H A 19 GLU H 1.0 . 3.31 330 292 A 16 THR HB A 19 GLU H 1.0 . 4.57 331 293 A 19 GLU H A 19 GLU HG2 1.0 . 3.22 332 293 A 19 GLU H A 19 GLU HG3 1.0 . 3.22 333 294 A 18 VAL HB A 19 GLU H 1.0 . 4.23 334 295 A 19 GLU H A 19 GLU HBx 1.0 . 3.61 335 296 A 19 GLU H A 15 ILE HG1y 1.0 . 5.20 336 297 A 19 GLU H A 18 VAL HGy% 1.0 . 4.82 337 298 A 19 GLU H A 18 VAL HGx% 1.0 . 4.18 338 299 A 55 GLN HA A 59 ASP H 1.0 . 4.58 339 300 A 59 ASP HBy A 59 ASP H 1.0 . 3.51 340 301 A 59 ASP H A 58 MET HGy 1.0 . 5.23 341 302 A 59 ASP H A 58 MET HBy 1.0 . 3.72 342 303 A 59 ASP H A 58 MET HBx 1.0 . 4.14 343 304 A 59 ASP H A 62 LEU HDx% 1.0 . 5.45 344 305 A 56 ARG HA A 60 ILE H 1.0 . 4.67 345 306 A 61 ALA HB% A 60 ILE H 1.0 . 5.50 346 307 A 59 ASP H A 60 ILE H 1.0 . 3.53 347 308 A 58 MET H A 60 ILE H 1.0 . 5.39 348 309 A 60 ILE H A 27 SER HBx 1.0 . 5.19 349 310 A 60 ILE H A 58 MET HA 1.0 . 4.82 350 311 A 59 ASP HBy A 60 ILE H 1.0 . 3.66 351 312 A 60 ILE H A 59 ASP HBx 1.0 . 3.85 352 313 A 60 ILE HB A 60 ILE H 1.0 . 2.91 353 314 A 60 ILE HG1x A 60 ILE H 1.0 . 3.75 354 315 A 60 ILE HG2% A 60 ILE H 1.0 . 3.86 355 316 A 56 ARG H A 57 ARG H 1.0 . 3.70 356 317 A 56 ARG H A 53 GLY HAy 1.0 . 4.87 357 318 A 56 ARG H A 56 ARG HDy 1.0 . 5.32 358 319 A 56 ARG H A 55 GLN HG2 1.0 . 4.74 359 319 A 56 ARG H A 55 GLN HG3 1.0 . 4.74 360 320 A 56 ARG H A 55 GLN HB2 1.0 . 3.31 361 320 A 56 ARG H A 55 GLN HB3 1.0 . 3.31 362 321 A 56 ARG H A 56 ARG HBx 1.0 . 2.98 363 322 A 56 ARG H A 56 ARG HGy 1.0 . 4.46 364 323 A 56 ARG H A 54 ILE HG2% 1.0 . 5.36 365 324 A 59 ASP HBy A 56 ARG H 1.0 . 5.50 366 325 A 58 MET H A 59 ASP H 1.0 . 3.65 367 326 A 58 MET H A 56 ARG H 1.0 . 4.54 368 327 A 58 MET H A 57 ARG H 1.0 . 3.71 369 328 A 58 MET H A 55 GLN HA 1.0 . 3.98 370 329 A 59 ASP HBy A 58 MET H 1.0 . 4.88 371 330 A 58 MET H A 57 ARG HBy 1.0 . 4.27 372 331 A 58 MET H A 58 MET HGy 1.0 . 3.64 373 332 A 58 MET H A 58 MET HBy 1.0 . 3.32 374 333 A 58 MET H A 57 ARG HBx 1.0 . 3.52 375 334 A 58 MET H A 58 MET HGx 1.0 . 4.07 376 335 A 54 ILE HD1% A 58 MET H 1.0 . 5.05 377 336 A 45 PHE HD% A 58 MET H 1.0 . 5.30 378 337 A 58 MET H A 56 ARG HA 1.0 . 5.17 379 338 A 58 MET H A 54 ILE HA 1.0 . 4.74 380 339 A 47 ALA H A 49 LYS H 1.0 . 5.17 381 340 A 49 LYS H A 48 ASP H 1.0 . 3.35 382 341 A 46 ASP HA A 49 LYS H 1.0 . 4.30 383 342 A 49 LYS H A 47 ALA HA 1.0 . 4.88 384 343 A 49 LYS H A 48 ASP HBy 1.0 . 3.97 385 344 A 49 LYS H A 49 LYS HBy 1.0 . 3.65 386 345 A 49 LYS H A 49 LYS HBx 1.0 . 3.37 387 346 A 49 LYS H A 49 LYS HGy 1.0 . 4.04 388 347 A 54 ILE HD1% A 49 LYS H 1.0 . 5.50 389 348 A 62 LEU H A 59 ASP HA 1.0 . 3.89 390 349 A 62 LEU H A 62 LEU HBy 1.0 . 3.21 391 350 A 62 LEU H A 61 ALA HB% 1.0 . 3.64 392 351 A 62 LEU H A 76 VAL HGx% 1.0 . 5.09 393 352 A 62 LEU H A 62 LEU HDx% 1.0 . 3.98 394 353 A 62 LEU H A 58 MET HA 1.0 . 4.96 395 354 A 59 ASP HBy A 62 LEU H 1.0 . 5.46 396 355 A 79 THR H A 5 ILE HA 1.0 . 5.50 397 356 A 6 VAL H A 79 THR H 1.0 . 5.50 398 357 A 79 THR H A 80 VAL H 1.0 . 4.24 399 358 A 79 THR H A 7 PHE HBy 1.0 . 5.38 400 358 A 79 THR H A 7 PHE HBx 1.0 . 5.38 401 359 A 79 THR H A 78 LEU HBy 1.0 . 4.21 402 360 A 79 THR H A 78 LEU HG 1.0 . 4.72 403 361 A 79 THR H A 79 THR HG2% 1.0 . 4.18 404 362 A 69 LEU H A 68 LEU H 1.0 . 4.56 405 363 A 73 LYS HA A 68 LEU H 1.0 . 4.51 406 364 A 68 LEU HBy A 68 LEU H 1.0 . 3.26 407 365 A 68 LEU H A 68 LEU HG 1.0 . 3.69 408 366 A 68 LEU H A 67 THR HG2% 1.0 . 3.94 409 367 A 68 LEU HBx A 68 LEU H 1.0 . 3.65 410 368 A 68 LEU HDx% A 68 LEU H 1.0 . 4.76 411 369 A 59 ASP H A 57 ARG H 1.0 . 5.50 412 370 A 57 ARG H A 53 GLY HAy 1.0 . 5.17 413 371 A 57 ARG H A 54 ILE HA 1.0 . 4.31 414 372 A 57 ARG H A 57 ARG HDx 1.0 . 4.80 415 373 A 57 ARG H A 57 ARG HBy 1.0 . 3.93 416 374 A 57 ARG H A 57 ARG HG2 1.0 . 3.33 417 374 A 57 ARG H A 57 ARG HG3 1.0 . 3.33 418 375 A 57 ARG H A 57 ARG HBx 1.0 . 3.56 419 376 A 54 ILE HG2% A 57 ARG H 1.0 . 5.50 420 377 A 57 ARG H A 60 ILE HD1% 1.0 . 5.50 421 378 A 51 ARG H A 50 ASP H 1.0 . 4.54 422 379 A 50 ASP H A 48 ASP H 1.0 . 4.58 423 380 A 50 ASP H A 48 ASP HA 1.0 . 4.89 424 381 A 50 ASP H A 50 ASP HB2 1.0 . 3.49 425 381 A 50 ASP HB3 A 50 ASP H 1.0 . 3.49 426 382 A 50 ASP H A 49 LYS HBy 1.0 . 3.99 427 383 A 50 ASP H A 49 LYS HBx 1.0 . 4.02 428 384 A 47 ALA HB% A 50 ASP H 1.0 . 5.50 429 385 A 54 ILE HG2% A 50 ASP H 1.0 . 5.22 430 386 A 17 ALA H A 18 VAL H 1.0 . 4.18 431 387 A 21 GLN H A 18 VAL H 1.0 . 5.50 432 388 A 19 GLU H A 18 VAL H 1.0 . 3.53 433 389 A 16 THR HA A 18 VAL H 1.0 . 4.01 434 390 A 16 THR HB A 18 VAL H 1.0 . 3.55 435 391 A 18 VAL HB A 18 VAL H 1.0 . 3.14 436 392 A 17 ALA HB% A 18 VAL H 1.0 . 3.70 437 393 A 16 THR HG2% A 18 VAL H 1.0 . 4.77 438 394 A 16 THR H A 18 VAL H 1.0 . 4.88 439 395 A 36 ALA HA A 38 LYS H 1.0 . 4.07 440 396 A 38 LYS H A 37 ASP HBx 1.0 . 4.67 441 397 A 38 LYS H A 38 LYS HBy 1.0 . 3.84 442 398 A 35 ARG HBy A 38 LYS H 1.0 . 4.05 443 399 A 38 LYS H A 38 LYS HBx 1.0 . 3.41 444 400 A 38 LYS H A 38 LYS HGy 1.0 . 3.80 445 401 A 38 LYS H A 40 ILE HG1x 1.0 . 5.50 446 402 A 38 LYS H A 39 GLY HAy 1.0 . 4.74 447 403 A 26 ASN H A 27 SER HA 1.0 . 5.50 448 404 A 48 ASP H A 49 LYS HBy 1.0 . 5.50 449 405 A 48 ASP H A 49 LYS HBx 1.0 . 4.79 450 406 A 66 GLY H A 74 ILE HB 1.0 . 5.33 451 407 A 47 ALA H A 48 ASP H 1.0 . 3.58 452 408 A 46 ASP HA A 48 ASP H 1.0 . 4.22 453 409 A 48 ASP H A 48 ASP HBy 1.0 . 3.29 454 410 A 47 ALA HB% A 48 ASP H 1.0 . 4.05 455 411 A 54 ILE HD1% A 48 ASP H 1.0 . 5.50 456 412 A 48 ASP H A 49 LYS HA 1.0 . 5.48 457 413 A 76 VAL H A 66 GLY H 1.0 . 4.49 458 414 A 66 GLY H A 75 ASN HA 1.0 . 4.14 459 415 A 76 VAL HB A 66 GLY H 1.0 . 4.68 460 416 A 66 GLY H A 74 ILE HG1y 1.0 . 4.85 461 417 A 66 GLY H A 74 ILE HG1x 1.0 . 4.59 462 418 A 66 GLY H A 76 VAL HGy% 1.0 . 4.33 463 419 A 66 GLY H A 74 ILE HD1% 1.0 . 5.50 464 420 A 55 GLN HE22 A 56 ARG HGx 1.0 . 5.26 465 421 A 56 ARG H A 55 GLN HE22 1.0 . 3.98 466 422 A 42 PHE H A 41 ALA H 1.0 . 4.44 467 423 A 42 PHE H A 32 ILE HG2% 1.0 . 5.47 468 424 A 42 PHE H A 43 LEU H 1.0 . 5.09 469 425 A 42 PHE H A 42 PHE HE% 1.0 . 5.50 470 426 A 42 PHE H A 42 PHE HD% 1.0 . 4.09 471 427 A 42 PHE H A 32 ILE HA 1.0 . 4.97 472 428 A 42 PHE H A 34 LEU HA 1.0 . 4.26 473 429 A 42 PHE H A 42 PHE HBx 1.0 . 3.79 474 430 A 42 PHE H A 33 ARG HBy 1.0 . 4.10 475 431 A 42 PHE H A 41 ALA HB% 1.0 . 3.67 476 432 A 15 ILE H A 14 ASP H 1.0 . 3.37 477 433 A 14 ASP HBy A 14 ASP H 1.0 . 3.86 478 434 A 14 ASP HBx A 14 ASP H 1.0 . 3.76 479 435 A 12 PRO HBx A 14 ASP H 1.0 . 4.16 480 436 A 15 ILE HG2% A 14 ASP H 1.0 . 4.86 481 437 A 13 ARG H A 14 ASP H 1.0 . 4.39 482 438 A 12 PRO HBy A 14 ASP H 1.0 . 4.45 483 439 A 22 ASN H A 20 LEU HA 1.0 . 4.49 484 440 A 22 ASN H A 21 GLN HB2 1.0 . 3.21 485 440 A 21 GLN HB3 A 22 ASN H 1.0 . 3.21 486 441 A 59 ASP HA A 55 GLN HE22 1.0 . 4.86 487 442 A 55 GLN HE22 A 55 GLN HB2 1.0 . 4.76 488 442 A 55 GLN HB3 A 55 GLN HE22 1.0 . 4.76 489 443 A 80 VAL HGy% A 82 GLY H 1.0 . 4.95 490 444 A 56 ARG H A 55 GLN HE21 1.0 . 5.50 491 445 A 55 GLN HA A 55 GLN HE21 1.0 . 5.50 492 446 A 55 GLN HE21 A 55 GLN HB2 1.0 . 5.50 493 446 A 55 GLN HB3 A 55 GLN HE21 1.0 . 5.50 494 447 A 22 ASN H A 21 GLN HG2 1.0 . 4.35 495 447 A 22 ASN H A 21 GLN HG3 1.0 . 4.35 496 448 A 59 ASP HBy A 55 GLN HE22 1.0 . 5.24 497 449 A 55 GLN HE22 A 55 GLN HG2 1.0 . 3.55 498 449 A 55 GLN HG3 A 55 GLN HE22 1.0 . 3.55 499 450 A 10 SER H A 11 LEU H 1.0 . 3.50 500 451 A 40 ILE H A 11 LEU H 1.0 . 5.26 501 452 A 11 LEU H A 40 ILE HA 1.0 . 4.57 502 453 A 11 LEU H A 9 GLY HAy 1.0 . 4.09 503 454 A 11 LEU H A 10 SER HA 1.0 . 3.26 504 455 A 11 LEU H A 39 GLY HAx 1.0 . 4.24 505 456 A 9 GLY HAx A 11 LEU H 1.0 . 4.64 506 457 A 12 PRO HDx A 11 LEU H 1.0 . 4.84 507 458 A 11 LEU H A 11 LEU HBx 1.0 . 3.59 508 459 A 11 LEU H A 11 LEU HG 1.0 . 4.13 509 460 A 11 LEU HDy% A 11 LEU H 1.0 . 4.11 510 461 A 24 PHE HA A 27 SER H 1.0 . 4.05 511 462 A 27 SER H A 28 SER HA 1.0 . 5.02 512 463 A 27 SER H A 26 ASN HBx 1.0 . 5.24 513 464 A 60 ILE HG2% A 27 SER H 1.0 . 5.40 514 465 A 25 LYS HBx A 27 SER H 1.0 . 5.50 515 466 A 38 LYS H A 37 ASP H 1.0 . 3.98 516 467 A 37 ASP H A 37 ASP HBy 1.0 . 3.85 517 468 A 36 ALA HB% A 37 ASP H 1.0 . 4.44 518 469 A 48 ASP H A 2 ASN HD22 1.0 . 5.13 519 470 A 2 ASN HD22 A 2 ASN HB2 1.0 . 3.87 520 470 A 2 ASN HB3 A 2 ASN HD22 1.0 . 3.87 521 471 A 47 ALA HB% A 2 ASN HD22 1.0 . 5.50 522 472 A 16 THR H A 19 GLU H 1.0 . 4.78 523 473 A 19 GLU HBy A 16 THR H 1.0 . 3.73 524 474 A 16 THR H A 19 GLU HBx 1.0 . 4.12 525 475 A 16 THR H A 15 ILE HG1y 1.0 . 3.73 526 476 A 16 THR HG2% A 16 THR H 1.0 . 3.77 527 477 A 16 THR H A 15 ILE HD1% 1.0 . 3.80 528 478 A 16 THR H A 70 LYS HE2 1.0 . 5.50 529 478 A 70 LYS HE3 A 16 THR H 1.0 . 5.50 530 479 A 31 GLN H A 44 GLU H 1.0 . 3.66 531 480 A 31 GLN H A 30 ASP H 1.0 . 3.36 532 481 A 31 GLN H A 44 GLU HA 1.0 . 5.11 533 482 A 31 GLN H A 45 PHE HA 1.0 . 5.14 534 483 A 31 GLN H A 29 PRO HA 1.0 . 4.17 535 484 A 31 GLN H A 30 ASP HBy 1.0 . 3.96 536 485 A 31 GLN H A 30 ASP HBx 1.0 . 3.76 537 486 A 31 GLN H A 31 GLN HGy 1.0 . 4.73 538 486 A 31 GLN H A 31 GLN HGx 1.0 . 4.73 539 487 A 31 GLN H A 31 GLN HBx 1.0 . 3.27 540 488 A 31 GLN H A 29 PRO HBy 1.0 . 4.43 541 489 A 31 GLN H A 32 ILE HD1% 1.0 . 5.34 542 490 A 48 ASP H A 2 ASN HD21 1.0 . 5.00 543 491 A 46 ASP HA A 2 ASN HD21 1.0 . 3.74 544 492 A 47 ALA HB% A 2 ASN HD21 1.0 . 5.50 545 493 A 64 GLN H A 24 PHE HE% 1.0 . 4.75 546 494 A 62 LEU H A 64 GLN H 1.0 . 5.05 547 495 A 65 HIS HBy A 64 GLN H 1.0 . 4.83 548 496 A 64 GLN HBy A 64 GLN H 1.0 . 3.65 549 497 A 64 GLN H A 63 LEU HBy 1.0 . 3.63 550 498 A 64 GLN H A 63 LEU HBx 1.0 . 4.30 551 499 A 48 ASP HBy A 2 ASN HD22 1.0 . 5.50 552 500 A 23 HIS H A 22 ASN HD22 1.0 . 5.50 553 501 A 64 GLN H A 64 GLN HE21 1.0 . 5.50 554 502 A 64 GLN H A 64 GLN HGy 1.0 . 3.64 555 503 A 64 GLN H A 64 GLN HGx 1.0 . 4.02 556 504 A 64 GLN H A 63 LEU HDx% 1.0 . 5.39 557 504 A 63 LEU HDy% A 64 GLN H 1.0 . 5.39 558 505 A 22 ASN HA A 22 ASN HD22 1.0 . 5.50 559 506 A 22 ASN HD22 A 23 HIS HE1 1.0 . 5.50 560 507 A 22 ASN HD22 A 23 HIS HA 1.0 . 5.50 561 508 A 22 ASN HD22 A 19 GLU HA 1.0 . 5.09 562 509 A 22 ASN HD22 A 22 ASN HB2 1.0 . 3.72 563 509 A 22 ASN HB3 A 22 ASN HD22 1.0 . 3.72 564 510 A 18 VAL HGx% A 22 ASN HD21 1.0 . 5.18 565 511 A 10 SER HBx A 75 ASN HD21 1.0 . 5.50 566 512 A 27 SER H A 28 SER H 1.0 . 3.69 567 513 A 24 PHE HA A 28 SER H 1.0 . 4.53 568 514 A 28 SER H A 29 PRO HDy 1.0 . 3.70 569 515 A 28 SER H A 28 SER HBx 1.0 . 3.88 570 516 A 28 SER H A 29 PRO HDx 1.0 . 3.81 571 517 A 60 ILE HG2% A 28 SER H 1.0 . 5.50 572 518 A 10 SER HBx A 75 ASN HD22 1.0 . 5.12 573 519 A 77 GLU HGx A 75 ASN HD22 1.0 . 5.35 574 520 A 77 GLU HGx A 75 ASN HD21 1.0 . 5.50 575 521 A 82 GLY H A 81 GLY H 1.0 . 5.43 576 522 A 81 GLY H A 80 VAL HA 1.0 . 3.45 577 523 A 81 GLY H A 80 VAL HB 1.0 . 4.74 578 524 A 80 VAL HGy% A 81 GLY H 1.0 . 4.55 579 525 A 24 PHE H A 24 PHE HE% 1.0 . 5.50 580 526 A 24 PHE H A 23 HIS HD2 1.0 . 5.50 581 527 A 60 ILE HG2% A 26 ASN HD22 1.0 . 5.50 582 528 A 24 PHE H A 22 ASN HA 1.0 . 4.97 583 529 A 23 HIS H A 24 PHE H 1.0 . 3.47 584 530 A 24 PHE HD% A 24 PHE H 1.0 . 3.67 585 531 A 24 PHE H A 21 GLN HA 1.0 . 4.45 586 532 A 24 PHE H A 24 PHE HBy 1.0 . 3.71 587 533 A 24 PHE H A 23 HIS HBx 1.0 . 3.62 588 534 A 24 PHE H A 24 PHE HBx 1.0 . 3.40 589 535 A 54 ILE HB A 53 GLY H 1.0 . 5.12 590 536 A 53 GLY H A 52 THR HG2% 1.0 . 5.27 591 537 A 54 ILE HG2% A 53 GLY H 1.0 . 5.30 592 538 A 10 SER H A 9 GLY H 1.0 . 4.35 593 539 A 75 ASN H A 9 GLY H 1.0 . 4.02 594 540 A 7 PHE HD% A 9 GLY H 1.0 . 5.43 595 541 A 75 ASN HA A 9 GLY H 1.0 . 5.23 596 542 A 9 GLY H A 76 VAL HA 1.0 . 4.29 597 543 A 8 VAL HB A 9 GLY H 1.0 . 4.73 598 544 A 31 GLN HBx A 31 GLN HE22 1.0 . 4.97 599 545 A 40 ILE H A 38 LYS HBy 1.0 . 4.95 600 546 A 64 GLN HE21 A 67 THR HG2% 1.0 . 5.50 601 547 A 64 GLN HE21 A 64 GLN HA 1.0 . 5.50 602 548 A 23 HIS HD2 A 64 GLN HE21 1.0 . 5.50 603 549 A 7 PHE HE% A 9 GLY H 1.0 . 5.31 604 550 A 9 GLY H A 75 ASN HBx 1.0 . 5.09 605 551 A 35 ARG H A 40 ILE H 1.0 . 4.18 606 552 A 40 ILE H A 38 LYS H 1.0 . 4.32 607 553 A 40 ILE H A 40 ILE HG1x 1.0 . 3.73 608 554 A 40 ILE H A 11 LEU HDy% 1.0 . 4.81 609 555 A 75 ASN H A 10 SER H 1.0 . 5.21 610 556 A 10 SER H A 9 GLY HAy 1.0 . 3.28 611 557 A 10 SER H A 10 SER HA 1.0 . 2.86 612 558 A 9 GLY HAx A 10 SER H 1.0 . 3.27 613 559 A 32 ILE HD1% A 21 GLN HE22 1.0 . 5.50 614 560 A 39 GLY H A 37 ASP H 1.0 . 4.81 615 561 A 39 GLY H A 38 LYS H 1.0 . 3.24 616 562 A 39 GLY H A 40 ILE H 1.0 . 3.51 617 563 A 39 GLY H A 37 ASP HA 1.0 . 5.36 618 564 A 39 GLY H A 38 LYS HBy 1.0 . 4.82 619 565 A 39 GLY H A 38 LYS HBx 1.0 . 4.28 620 566 A 39 GLY H A 36 ALA HB% 1.0 . 5.29 621 567 A 39 GLY H A 11 LEU HBy 1.0 . 5.35 622 568 A 39 GLY H A 11 LEU HDy% 1.0 . 5.50 623 569 A 66 GLY H A 67 THR H 1.0 . 3.63 624 570 A 67 THR H A 68 LEU H 1.0 . 4.66 625 571 A 64 GLN HBy A 67 THR H 1.0 . 5.43 626 572 A 64 GLN HBx A 67 THR H 1.0 . 4.92 627 573 A 74 ILE HG1y A 67 THR H 1.0 . 4.23 628 574 A 67 THR H A 67 THR HG2% 1.0 . 3.62 629 575 A 74 ILE HD1% A 67 THR H 1.0 . 4.71 630 576 A 68 LEU HDx% A 71 GLU H 1.0 . 5.50 631 577 A 69 LEU H A 71 GLU H 1.0 . 5.28 632 578 A 60 ILE HB A 27 SER HBy 1.0 . 3.92 633 579 A 61 ALA H A 27 SER HBy 1.0 . 4.56 634 580 A 27 SER HBy A 45 PHE HE% 1.0 . 4.23 635 581 A 24 PHE HA A 27 SER HBy 1.0 . 4.88 636 582 A 61 ALA HB% A 27 SER HBy 1.0 . 3.94 637 583 A 60 ILE HG2% A 27 SER HBy 1.0 . 4.26 638 584 A 61 ALA H A 27 SER HBx 1.0 . 4.04 639 585 A 27 SER HBx A 45 PHE HE% 1.0 . 4.50 640 586 A 27 SER HBx A 57 ARG HBy 1.0 . 4.82 641 587 A 60 ILE HB A 27 SER HBx 1.0 . 3.77 642 588 A 61 ALA HB% A 27 SER HBx 1.0 . 3.97 643 589 A 60 ILE HG2% A 27 SER HBx 1.0 . 3.85 644 590 A 21 GLN H A 18 VAL HA 1.0 . 3.55 645 591 A 22 ASN H A 18 VAL HA 1.0 . 4.16 646 592 A 18 VAL HA A 21 GLN HG2 1.0 . 3.60 647 592 A 21 GLN HG3 A 18 VAL HA 1.0 . 3.60 648 593 A 18 VAL HA A 21 GLN HB2 1.0 . 2.87 649 593 A 21 GLN HB3 A 18 VAL HA 1.0 . 2.87 650 594 A 17 ALA HB% A 18 VAL HA 1.0 . 5.03 651 595 A 18 VAL HGy% A 18 VAL HA 1.0 . 3.21 652 596 A 62 LEU H A 60 ILE HA 1.0 . 4.44 653 597 A 60 ILE HA A 59 ASP HA 1.0 . 5.08 654 598 A 60 ILE HA A 59 ASP HBx 1.0 . 4.90 655 599 A 60 ILE HG1x A 60 ILE HA 1.0 . 3.30 656 600 A 60 ILE HG2% A 60 ILE HA 1.0 . 3.24 657 601 A 52 THR HG2% A 52 THR HA 1.0 . 3.06 658 602 A 54 ILE HA A 57 ARG HDy 1.0 . 3.92 659 603 A 52 THR HA A 51 ARG HB2 1.0 . 4.04 660 603 A 51 ARG HB3 A 52 THR HA 1.0 . 4.04 661 604 A 54 ILE HA A 47 ALA HA 1.0 . 4.28 662 605 A 54 ILE HA A 57 ARG HDx 1.0 . 3.70 663 606 A 57 ARG HBy A 54 ILE HA 1.0 . 4.17 664 607 A 54 ILE HA A 57 ARG HG2 1.0 . 4.42 665 607 A 54 ILE HA A 57 ARG HG3 1.0 . 4.42 666 608 A 57 ARG HBx A 54 ILE HA 1.0 . 3.56 667 609 A 54 ILE HG1y A 54 ILE HA 1.0 . 3.55 668 610 A 54 ILE HG1x A 54 ILE HA 1.0 . 3.95 669 611 A 10 SER H A 10 SER HBy 1.0 . 4.04 670 612 A 75 ASN H A 10 SER HBy 1.0 . 3.94 671 613 A 74 ILE HB A 10 SER HBy 1.0 . 4.07 672 614 A 75 ASN H A 10 SER HBx 1.0 . 3.87 673 615 A 74 ILE HB A 10 SER HBx 1.0 . 4.42 674 616 A 74 ILE HG2% A 10 SER HBx 1.0 . 4.68 675 617 A 29 PRO HA A 43 LEU HDy% 1.0 . 5.50 676 618 A 30 ASP H A 29 PRO HA 1.0 . 3.01 677 619 A 29 PRO HA A 45 PHE HE% 1.0 . 3.54 678 620 A 45 PHE HA A 29 PRO HA 1.0 . 4.46 679 621 A 29 PRO HA A 30 ASP HA 1.0 . 4.73 680 622 A 30 ASP HBx A 29 PRO HA 1.0 . 5.04 681 623 A 43 LEU HBx A 29 PRO HA 1.0 . 4.70 682 624 A 10 SER HBy A 74 ILE HA 1.0 . 3.26 683 625 A 10 SER H A 10 SER HBx 1.0 . 3.80 684 626 A 10 SER HBx A 74 ILE HA 1.0 . 3.28 685 627 A 28 SER H A 28 SER HBy 1.0 . 4.08 686 628 A 28 SER HBx A 45 PHE HE% 1.0 . 5.09 687 629 A 30 ASP HBy A 29 PRO HA 1.0 . 5.21 688 630 A 12 PRO HA A 72 LYS HE2 1.0 . 4.08 689 630 A 12 PRO HA A 72 LYS HE3 1.0 . 4.08 690 631 A 12 PRO HA A 72 LYS HGx 1.0 . 3.87 691 632 A 80 VAL HA A 79 THR HA 1.0 . 4.47 692 633 A 80 VAL HGy% A 80 VAL HA 1.0 . 3.14 693 634 A 77 GLU H A 76 VAL HA 1.0 . 2.90 694 635 A 8 VAL HA A 76 VAL HA 1.0 . 3.37 695 636 A 76 VAL HGx% A 76 VAL HA 1.0 . 3.37 696 637 A 43 LEU HG A 32 ILE HA 1.0 . 3.40 697 638 A 7 PHE H A 6 VAL HA 1.0 . 2.92 698 639 A 32 ILE HG1x A 32 ILE HA 1.0 . 3.76 699 640 A 75 ASN H A 74 ILE HA 1.0 . 2.90 700 641 A 74 ILE HB A 74 ILE HA 1.0 . 2.98 701 642 A 68 LEU H A 67 THR HA 1.0 . 2.80 702 643 A 67 THR HG2% A 67 THR HA 1.0 . 3.03 703 644 A 33 ARG H A 32 ILE HA 1.0 . 3.00 704 645 A 74 ILE HG2% A 74 ILE HA 1.0 . 3.38 705 646 A 27 SER HA A 57 ARG HA 1.0 . 3.61 706 647 A 27 SER HBy A 57 ARG HA 1.0 . 4.47 707 648 A 27 SER HBx A 57 ARG HA 1.0 . 3.97 708 649 A 57 ARG HA A 57 ARG HG2 1.0 . 2.93 709 649 A 57 ARG HG3 A 57 ARG HA 1.0 . 2.93 710 650 A 60 ILE HD1% A 57 ARG HA 1.0 . 3.66 711 651 A 66 GLY H A 65 HIS HA 1.0 . 3.10 712 652 A 75 ASN HA A 65 HIS HA 1.0 . 3.90 713 653 A 76 VAL HB A 65 HIS HA 1.0 . 3.40 714 654 A 76 VAL HGy% A 65 HIS HA 1.0 . 3.48 715 655 A 25 LYS HBy A 25 LYS HA 1.0 . 2.86 716 656 A 25 LYS HGx A 25 LYS HA 1.0 . 3.89 717 657 A 60 ILE H A 57 ARG HA 1.0 . 3.89 718 658 A 45 PHE HE% A 57 ARG HA 1.0 . 4.93 719 659 A 45 PHE HD% A 5 ILE HA 1.0 . 4.68 720 660 A 76 VAL H A 65 HIS HA 1.0 . 3.77 721 661 A 6 VAL H A 5 ILE HA 1.0 . 2.91 722 662 A 5 ILE HD1% A 5 ILE HA 1.0 . 4.12 723 663 A 8 VAL HA A 9 GLY H 1.0 . 2.93 724 664 A 57 ARG HBy A 27 SER HA 1.0 . 3.93 725 665 A 60 ILE HB A 27 SER HA 1.0 . 3.17 726 666 A 60 ILE HD1% A 27 SER HA 1.0 . 3.70 727 667 A 32 ILE HD1% A 21 GLN HA 1.0 . 3.41 728 668 A 27 SER HA A 45 PHE HE% 1.0 . 4.46 729 669 A 25 LYS H A 21 GLN HA 1.0 . 4.82 730 670 A 58 MET HA A 45 PHE HE% 1.0 . 4.44 731 671 A 58 MET HA A 45 PHE HZ 1.0 . 4.91 732 672 A 58 MET HA A 59 ASP HA 1.0 . 5.06 733 673 A 61 ALA H A 58 MET HA 1.0 . 3.81 734 674 A 58 MET HGy A 58 MET HA 1.0 . 3.69 735 675 A 58 MET HA A 58 MET HGx 1.0 . 3.63 736 676 A 19 GLU HA A 19 GLU HG2 1.0 . 2.99 737 676 A 19 GLU HG3 A 19 GLU HA 1.0 . 2.99 738 677 A 18 VAL HGx% A 19 GLU HA 1.0 . 4.28 739 678 A 22 ASN H A 19 GLU HA 1.0 . 3.71 740 679 A 59 ASP HBy A 56 ARG HA 1.0 . 2.98 741 680 A 54 ILE HG2% A 55 GLN HA 1.0 . 4.17 742 681 A 55 GLN HA A 55 GLN HB2 1.0 . 3.02 743 681 A 55 GLN HB3 A 55 GLN HA 1.0 . 3.02 744 682 A 51 ARG HA A 51 ARG HD2 1.0 . 3.82 745 682 A 51 ARG HD3 A 51 ARG HA 1.0 . 3.82 746 683 A 51 ARG HA A 51 ARG HB2 1.0 . 2.80 747 683 A 51 ARG HB3 A 51 ARG HA 1.0 . 2.80 748 684 A 56 ARG HA A 56 ARG HDy 1.0 . 3.83 749 685 A 51 ARG HA A 52 THR HG2% 1.0 . 5.50 750 686 A 54 ILE HB A 51 ARG HA 1.0 . 4.52 751 687 A 51 ARG HA A 51 ARG HG2 1.0 . 3.25 752 687 A 51 ARG HG3 A 51 ARG HA 1.0 . 3.25 753 688 A 47 ALA HB% A 51 ARG HA 1.0 . 4.43 754 689 A 54 ILE HG2% A 51 ARG HA 1.0 . 3.60 755 690 A 59 ASP H A 56 ARG HA 1.0 . 4.00 756 691 A 9 GLY HAy A 10 SER HA 1.0 . 4.68 757 692 A 10 SER HA A 10 SER HBx 1.0 . 2.91 758 693 A 39 GLY HAy A 40 ILE HA 1.0 . 4.56 759 694 A 41 ALA H A 40 ILE HA 1.0 . 2.82 760 695 A 10 SER H A 40 ILE HA 1.0 . 4.12 761 696 A 40 ILE HA A 9 GLY HAy 1.0 . 3.41 762 697 A 9 GLY HAx A 40 ILE HA 1.0 . 3.79 763 698 A 40 ILE HG1y A 40 ILE HA 1.0 . 3.91 764 699 A 40 ILE HA A 40 ILE HG2% 1.0 . 3.27 765 700 A 11 LEU HDy% A 40 ILE HA 1.0 . 3.94 766 701 A 16 THR H A 15 ILE HA 1.0 . 2.76 767 702 A 15 ILE HB A 15 ILE HA 1.0 . 2.90 768 703 A 15 ILE HG1x A 15 ILE HA 1.0 . 3.70 769 704 A 15 ILE HD1% A 15 ILE HA 1.0 . 2.90 770 705 A 23 HIS H A 20 LEU HA 1.0 . 3.91 771 706 A 23 HIS HBy A 20 LEU HA 1.0 . 3.20 772 707 A 20 LEU HA A 20 LEU HG 1.0 . 3.08 773 708 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.32 774 709 A 71 GLU HA A 71 GLU HBx 1.0 . 2.88 775 710 A 71 GLU HA A 68 LEU HBx 1.0 . 3.95 776 711 A 24 PHE HD% A 20 LEU HA 1.0 . 4.19 777 712 A 62 LEU HA A 64 GLN H 1.0 . 4.45 778 713 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.07 779 714 A 71 GLU HA A 71 GLU H 1.0 . 2.81 780 715 A 71 GLU HA A 68 LEU HDx% 1.0 . 4.52 781 716 A 45 PHE HA A 30 ASP HA 1.0 . 4.62 782 717 A 77 GLU HA A 62 LEU HA 1.0 . 5.47 783 718 A 14 ASP H A 13 ARG HA 1.0 . 3.55 784 719 A 15 ILE H A 13 ARG HA 1.0 . 4.15 785 720 A 13 ARG HA A 13 ARG HD2 1.0 . 3.26 786 720 A 13 ARG HA A 13 ARG HD3 1.0 . 3.26 787 721 A 13 ARG HBx A 13 ARG HA 1.0 . 2.84 788 722 A 70 LYS H A 70 LYS HA 1.0 . 2.82 789 723 A 70 LYS HA A 70 LYS HG2 1.0 . 3.30 790 723 A 70 LYS HG3 A 70 LYS HA 1.0 . 3.30 791 724 A 70 LYS HA A 70 LYS HE2 1.0 . 4.67 792 724 A 70 LYS HE3 A 70 LYS HA 1.0 . 4.67 793 725 A 45 PHE HA A 44 GLU HA 1.0 . 4.71 794 726 A 46 ASP H A 45 PHE HA 1.0 . 3.06 795 727 A 5 ILE H A 4 PHE HA 1.0 . 2.76 796 728 A 80 VAL HGy% A 4 PHE HA 1.0 . 3.77 797 729 A 5 ILE HD1% A 4 PHE HA 1.0 . 3.96 798 730 A 49 LYS HBy A 49 LYS HA 1.0 . 3.01 799 731 A 49 LYS HA A 49 LYS HGx 1.0 . 3.83 800 732 A 4 PHE HD% A 4 PHE HA 1.0 . 3.68 801 733 A 45 PHE HA A 44 GLU HB2 1.0 . 4.06 802 733 A 44 GLU HB3 A 45 PHE HA 1.0 . 4.06 803 734 A 65 HIS HBy A 63 LEU HA 1.0 . 4.93 804 735 A 63 LEU HA A 63 LEU HG 1.0 . 2.98 805 736 A 63 LEU HBx A 63 LEU HA 1.0 . 2.97 806 737 A 63 LEU HDy% A 63 LEU HA 1.0 . 2.91 807 738 A 48 ASP HA A 48 ASP HBx 1.0 . 2.93 808 739 A 22 ASN HA A 22 ASN HB2 1.0 . 2.72 809 739 A 22 ASN HA A 22 ASN HB3 1.0 . 2.72 810 740 A 22 ASN HA A 25 LYS HD2 1.0 . 4.37 811 740 A 22 ASN HA A 25 LYS HD3 1.0 . 4.37 812 741 A 36 ALA HA A 39 GLY H 1.0 . 3.71 813 742 A 42 PHE HA A 43 LEU H 1.0 . 2.82 814 743 A 42 PHE HD% A 42 PHE HA 1.0 . 3.73 815 744 A 43 LEU HBy A 42 PHE HA 1.0 . 4.51 816 745 A 42 PHE HA A 5 ILE HG2% 1.0 . 3.96 817 746 A 42 PHE HA A 8 VAL H 1.0 . 4.09 818 747 A 73 LYS HA A 68 LEU HDx% 1.0 . 3.77 819 748 A 73 LYS HA A 74 ILE H 1.0 . 2.75 820 749 A 24 PHE HD% A 61 ALA HA 1.0 . 3.28 821 750 A 24 PHE HE% A 61 ALA HA 1.0 . 3.66 822 751 A 64 GLN HGy A 61 ALA HA 1.0 . 4.10 823 752 A 60 ILE HG2% A 61 ALA HA 1.0 . 4.37 824 753 A 21 GLN H A 17 ALA HA 1.0 . 4.70 825 754 A 17 ALA HA A 18 VAL H 1.0 . 3.56 826 755 A 17 ALA HA A 16 THR HA 1.0 . 4.34 827 756 A 17 ALA HA A 20 LEU HBx 1.0 . 3.29 828 757 A 20 LEU HDx% A 17 ALA HA 1.0 . 3.48 829 758 A 36 ALA HA A 40 ILE H 1.0 . 4.10 830 759 A 36 ALA HA A 34 LEU HDy% 1.0 . 3.67 831 760 A 7 PHE H A 78 LEU HA 1.0 . 3.81 832 761 A 79 THR H A 78 LEU HA 1.0 . 2.91 833 762 A 78 LEU HDx% A 78 LEU HA 1.0 . 3.08 834 763 A 37 ASP HBx A 37 ASP HA 1.0 . 2.61 835 764 A 36 ALA HB% A 37 ASP HA 1.0 . 4.58 836 765 A 26 ASN HA A 26 ASN HBy 1.0 . 3.01 837 766 A 32 ILE H A 31 GLN HA 1.0 . 2.83 838 767 A 30 ASP H A 31 GLN HA 1.0 . 4.73 839 768 A 31 GLN HGx A 31 GLN HA 1.0 . 3.51 840 769 A 4 PHE H A 3 ARG HA 1.0 . 2.87 841 770 A 47 ALA H A 3 ARG HA 1.0 . 3.58 842 771 A 4 PHE HD% A 3 ARG HA 1.0 . 3.89 843 772 A 31 GLN HBx A 31 GLN HA 1.0 . 2.91 844 773 A 32 ILE HD1% A 31 GLN HA 1.0 . 4.89 845 774 A 45 PHE H A 44 GLU HA 1.0 . 2.94 846 775 A 45 PHE HD% A 44 GLU HA 1.0 . 4.05 847 776 A 5 ILE HG2% A 44 GLU HA 1.0 . 5.06 848 777 A 5 ILE HD1% A 44 GLU HA 1.0 . 4.40 849 778 A 46 ASP HA A 3 ARG HA 1.0 . 3.40 850 779 A 3 ARG HA A 3 ARG HG2 1.0 . 3.96 851 779 A 3 ARG HA A 3 ARG HG3 1.0 . 3.96 852 780 A 38 LYS HGy A 38 LYS HA 1.0 . 3.24 853 781 A 34 LEU H A 33 ARG HA 1.0 . 2.66 854 782 A 38 LYS HBx A 38 LYS HA 1.0 . 2.94 855 783 A 35 ARG H A 34 LEU HA 1.0 . 2.95 856 784 A 34 LEU HA A 41 ALA HA 1.0 . 3.65 857 785 A 41 ALA HB% A 34 LEU HA 1.0 . 3.54 858 786 A 34 LEU HDy% A 34 LEU HA 1.0 . 3.41 859 787 A 50 ASP H A 47 ALA HA 1.0 . 4.00 860 788 A 54 ILE HB A 47 ALA HA 1.0 . 3.97 861 789 A 54 ILE HD1% A 47 ALA HA 1.0 . 3.21 862 790 A 73 LYS HA A 68 LEU HA 1.0 . 3.26 863 791 A 67 THR HG2% A 64 GLN HA 1.0 . 3.15 864 792 A 73 LYS H A 72 LYS HA 1.0 . 2.71 865 793 A 72 LYS HA A 72 LYS HD2 1.0 . 3.21 866 793 A 72 LYS HD3 A 72 LYS HA 1.0 . 3.21 867 794 A 70 LYS H A 69 LEU HA 1.0 . 2.76 868 795 A 71 GLU H A 69 LEU HA 1.0 . 4.21 869 796 A 72 LYS H A 69 LEU HA 1.0 . 4.84 870 797 A 54 ILE HG1x A 47 ALA HA 1.0 . 3.89 871 798 A 69 LEU H A 68 LEU HA 1.0 . 2.67 872 799 A 50 ASP HA A 50 ASP HB2 1.0 . 2.91 873 799 A 50 ASP HA A 50 ASP HB3 1.0 . 2.91 874 800 A 43 LEU HG A 43 LEU HA 1.0 . 2.40 875 801 A 11 LEU HA A 12 PRO HDy 1.0 . 3.14 876 802 A 12 PRO HDx A 11 LEU HA 1.0 . 3.27 877 803 A 11 LEU HG A 11 LEU HA 1.0 . 3.13 878 804 A 11 LEU HDy% A 11 LEU HA 1.0 . 4.37 879 805 A 11 LEU HA A 12 PRO HGy 1.0 . 4.54 880 806 A 15 ILE HG2% A 14 ASP HA 1.0 . 4.65 881 807 A 15 ILE H A 14 ASP HA 1.0 . 3.35 882 808 A 14 ASP HBy A 14 ASP HA 1.0 . 2.80 883 809 A 14 ASP HBx A 14 ASP HA 1.0 . 2.83 884 810 A 75 ASN HA A 76 VAL HA 1.0 . 4.94 885 811 A 65 HIS HBy A 75 ASN HA 1.0 . 4.56 886 812 A 76 VAL HB A 75 ASN HA 1.0 . 4.75 887 813 A 76 VAL HGy% A 75 ASN HA 1.0 . 4.28 888 814 A 76 VAL H A 75 ASN HA 1.0 . 2.85 889 815 A 42 PHE H A 41 ALA HA 1.0 . 3.01 890 816 A 29 PRO HDy A 45 PHE HE% 1.0 . 4.83 891 817 A 29 PRO HDy A 45 PHE HZ 1.0 . 4.91 892 818 A 24 PHE HA A 29 PRO HDy 1.0 . 4.13 893 819 A 28 SER HA A 29 PRO HDy 1.0 . 3.53 894 820 A 24 PHE HBx A 29 PRO HDy 1.0 . 4.39 895 821 A 28 SER HA A 29 PRO HDx 1.0 . 3.17 896 822 A 32 ILE HD1% A 29 PRO HDx 1.0 . 4.99 897 823 A 11 LEU HBx A 12 PRO HDy 1.0 . 4.15 898 824 A 12 PRO HDy A 11 LEU HDx% 1.0 . 4.54 899 825 A 12 PRO HDx A 11 LEU HBx 1.0 . 3.73 900 826 A 12 PRO HDx A 15 ILE HD1% 1.0 . 4.24 901 827 A 39 GLY HAy A 11 LEU HBy 1.0 . 3.69 902 828 A 11 LEU HDy% A 39 GLY HAy 1.0 . 4.83 903 829 A 40 ILE HA A 39 GLY HAx 1.0 . 5.13 904 830 A 39 GLY HAx A 11 LEU HBy 1.0 . 3.79 905 831 A 11 LEU HDy% A 39 GLY HAx 1.0 . 4.93 906 832 A 53 GLY HAy A 57 ARG HG2 1.0 . 4.35 907 832 A 53 GLY HAy A 57 ARG HG3 1.0 . 4.35 908 833 A 53 GLY HAx A 57 ARG HG2 1.0 . 4.58 909 833 A 57 ARG HG3 A 53 GLY HAx 1.0 . 4.58 910 834 A 66 GLY HAy A 73 LYS HE2 1.0 . 3.94 911 834 A 66 GLY HAy A 73 LYS HE3 1.0 . 3.94 912 835 A 66 GLY HAx A 65 HIS HA 1.0 . 4.50 913 836 A 66 GLY HAx A 73 LYS HD2 1.0 . 4.19 914 836 A 66 GLY HAx A 73 LYS HD3 1.0 . 4.19 915 837 A 66 GLY HAx A 73 LYS HE2 1.0 . 4.71 916 837 A 66 GLY HAx A 73 LYS HE3 1.0 . 4.71 917 838 A 57 ARG H A 57 ARG HDy 1.0 . 4.61 918 839 A 45 PHE HD% A 57 ARG HDy 1.0 . 5.40 919 840 A 57 ARG HBx A 57 ARG HDy 1.0 . 4.19 920 841 A 54 ILE HD1% A 57 ARG HDy 1.0 . 5.50 921 842 A 54 ILE HD1% A 57 ARG HDx 1.0 . 5.50 922 843 A 80 VAL HGy% A 81 GLY HAy 1.0 . 4.03 923 844 A 80 VAL HGy% A 81 GLY HAx 1.0 . 4.14 924 845 A 34 LEU HBy A 33 ARG HA 1.0 . 4.88 925 846 A 69 LEU HBy A 70 LYS H 1.0 . 4.80 926 847 A 69 LEU HBy A 68 LEU HA 1.0 . 4.78 927 848 A 74 ILE HG2% A 69 LEU HBx 1.0 . 4.19 928 849 A 40 ILE HG1y A 9 GLY HAx 1.0 . 5.09 929 850 A 9 GLY HAx A 7 PHE HZ 1.0 . 4.17 930 851 A 9 GLY HAx A 40 ILE HG2% 1.0 . 4.05 931 852 A 7 PHE HE% A 9 GLY HAx 1.0 . 4.15 932 853 A 33 ARG HA A 33 ARG HDx 1.0 . 4.45 933 854 A 33 ARG HDx A 33 ARG HBx 1.0 . 4.06 934 855 A 46 ASP HA A 3 ARG HD2 1.0 . 4.17 935 855 A 46 ASP HA A 3 ARG HD3 1.0 . 4.17 936 856 A 5 ILE HG1y A 3 ARG HD2 1.0 . 3.24 937 856 A 3 ARG HD3 A 5 ILE HG1y 1.0 . 3.24 938 857 A 3 ARG HA A 3 ARG HD2 1.0 . 4.07 939 857 A 3 ARG HD3 A 3 ARG HA 1.0 . 4.07 940 858 A 3 ARG HD2 A 44 GLU HB2 1.0 . 3.88 941 858 A 3 ARG HD3 A 44 GLU HB2 1.0 . 3.88 942 858 A 44 GLU HB3 A 3 ARG HD2 1.0 . 3.88 943 858 A 44 GLU HB3 A 3 ARG HD3 1.0 . 3.88 944 859 A 5 ILE HD1% A 3 ARG HD2 1.0 . 4.66 945 859 A 3 ARG HD3 A 5 ILE HD1% 1.0 . 4.66 946 860 A 68 LEU HBy A 67 THR HA 1.0 . 4.60 947 861 A 68 LEU HBx A 71 GLU H 1.0 . 4.52 948 862 A 68 LEU HBx A 68 LEU HDx% 1.0 . 4.21 949 863 A 56 ARG H A 56 ARG HDx 1.0 . 4.95 950 864 A 33 ARG HA A 33 ARG HDy 1.0 . 4.39 951 865 A 56 ARG HDx A 56 ARG HBy 1.0 . 3.26 952 865 A 56 ARG HDx A 56 ARG HBx 1.0 . 3.26 953 866 A 43 LEU HBy A 44 GLU H 1.0 . 5.29 954 867 A 43 LEU HBy A 45 PHE HE% 1.0 . 4.10 955 868 A 9 GLY HAx A 40 ILE HB 1.0 . 5.03 956 869 A 8 VAL H A 40 ILE HB 1.0 . 5.17 957 870 A 40 ILE HB A 42 PHE HE% 1.0 . 4.47 958 871 A 40 ILE H A 40 ILE HB 1.0 . 3.61 959 872 A 43 LEU H A 43 LEU HBx 1.0 . 4.06 960 873 A 43 LEU HBx A 45 PHE HE% 1.0 . 4.05 961 874 A 43 LEU HBx A 45 PHE HZ 1.0 . 4.89 962 875 A 6 VAL HB A 43 LEU HBx 1.0 . 3.89 963 876 A 43 LEU HBx A 29 PRO HGx 1.0 . 4.46 964 877 A 40 ILE HB A 40 ILE HD1% 1.0 . 3.23 965 878 A 42 PHE HE% A 35 ARG HD2 1.0 . 4.78 966 878 A 35 ARG HD3 A 42 PHE HE% 1.0 . 4.78 967 879 A 78 LEU H A 78 LEU HBy 1.0 . 3.48 968 880 A 78 LEU H A 78 LEU HBx 1.0 . 3.42 969 881 A 79 THR H A 78 LEU HBx 1.0 . 4.50 970 882 A 35 ARG H A 35 ARG HD2 1.0 . 4.77 971 882 A 35 ARG H A 35 ARG HD3 1.0 . 4.77 972 883 A 35 ARG HA A 35 ARG HD2 1.0 . 3.64 973 883 A 35 ARG HD3 A 35 ARG HA 1.0 . 3.64 974 884 A 40 ILE HD1% A 35 ARG HD2 1.0 . 4.50 975 884 A 35 ARG HD3 A 40 ILE HD1% 1.0 . 4.50 976 885 A 20 LEU H A 20 LEU HBy 1.0 . 3.57 977 886 A 17 ALA HA A 20 LEU HBy 1.0 . 4.00 978 887 A 20 LEU HDx% A 20 LEU HBy 1.0 . 3.87 979 888 A 20 LEU HBx A 20 LEU HG 1.0 . 2.40 980 889 A 72 LYS HA A 72 LYS HE2 1.0 . 4.00 981 889 A 72 LYS HE3 A 72 LYS HA 1.0 . 4.00 982 890 A 72 LYS HGy A 72 LYS HE2 1.0 . 3.29 983 890 A 72 LYS HGy A 72 LYS HE3 1.0 . 3.29 984 891 A 64 GLN HE21 A 63 LEU HBx 1.0 . 5.22 985 892 A 73 LYS H A 72 LYS HE2 1.0 . 5.09 986 892 A 73 LYS H A 72 LYS HE3 1.0 . 5.09 987 893 A 72 LYS HD2 A 72 LYS HE2 1.0 . 2.86 988 893 A 72 LYS HD3 A 72 LYS HE2 1.0 . 2.86 989 893 A 72 LYS HE3 A 72 LYS HD2 1.0 . 2.86 990 893 A 72 LYS HD3 A 72 LYS HE3 1.0 . 2.86 991 894 A 45 PHE HBx A 45 PHE H 1.0 . 3.91 992 895 A 15 ILE HA A 70 LYS HE2 1.0 . 4.79 993 895 A 70 LYS HE3 A 15 ILE HA 1.0 . 4.79 994 896 A 70 LYS HE2 A 70 LYS HG2 1.0 . 3.87 995 896 A 70 LYS HE3 A 70 LYS HG2 1.0 . 3.87 996 896 A 70 LYS HG3 A 70 LYS HE2 1.0 . 3.87 997 896 A 70 LYS HE3 A 70 LYS HG3 1.0 . 3.87 998 897 A 30 ASP HBx A 44 GLU HB2 1.0 . 4.52 999 897 A 44 GLU HB3 A 30 ASP HBx 1.0 . 4.52 1000 898 A 46 ASP H A 30 ASP HBx 1.0 . 4.32 1001 899 A 45 PHE HA A 30 ASP HBx 1.0 . 4.33 1002 900 A 63 LEU HBy A 63 LEU HDx% 1.0 . 3.47 1003 901 A 64 GLN HE21 A 63 LEU HBy 1.0 . 5.50 1004 902 A 60 ILE HA A 63 LEU HBy 1.0 . 3.78 1005 903 A 60 ILE HA A 63 LEU HBx 1.0 . 4.19 1006 904 A 63 LEU HDy% A 63 LEU HBx 1.0 . 3.30 1007 905 A 44 GLU HA A 4 PHE HB2 1.0 . 5.12 1008 905 A 4 PHE HB3 A 44 GLU HA 1.0 . 5.12 1009 906 A 45 PHE HBy A 54 ILE HD1% 1.0 . 4.06 1010 907 A 42 PHE H A 42 PHE HBy 1.0 . 3.86 1011 908 A 70 LYS HBy A 70 LYS HE2 1.0 . 4.16 1012 908 A 70 LYS HE3 A 70 LYS HBy 1.0 . 4.16 1013 909 A 54 ILE HD1% A 45 PHE HBx 1.0 . 3.48 1014 910 A 70 LYS HBx A 70 LYS HE2 1.0 . 3.51 1015 910 A 70 LYS HE3 A 70 LYS HBx 1.0 . 3.51 1016 911 A 9 GLY H A 75 ASN HBy 1.0 . 4.11 1017 912 A 75 ASN H A 75 ASN HBy 1.0 . 3.71 1018 913 A 76 VAL H A 75 ASN HBy 1.0 . 4.14 1019 914 A 42 PHE HBx A 33 ARG HBx 1.0 . 3.88 1020 915 A 46 ASP H A 30 ASP HBy 1.0 . 4.01 1021 916 A 75 ASN H A 75 ASN HBx 1.0 . 3.66 1022 917 A 75 ASN HBx A 74 ILE HA 1.0 . 4.82 1023 918 A 76 VAL H A 75 ASN HBx 1.0 . 4.17 1024 919 A 7 PHE H A 7 PHE HBy 1.0 . 3.54 1025 920 A 79 THR HB A 7 PHE HBy 1.0 . 4.92 1026 921 A 77 GLU HGx A 7 PHE HBy 1.0 . 5.02 1027 922 A 79 THR HG2% A 7 PHE HBy 1.0 . 4.54 1028 923 A 7 PHE H A 7 PHE HBx 1.0 . 3.68 1029 924 A 42 PHE HBx A 5 ILE HG2% 1.0 . 4.13 1030 925 A 47 ALA H A 46 ASP HBx 1.0 . 4.61 1031 926 A 77 GLU HBx A 7 PHE HBy 1.0 . 5.21 1032 927 A 7 PHE HBx A 8 VAL H 1.0 . 4.99 1033 928 A 11 LEU HBy A 12 PRO HDy 1.0 . 5.20 1034 929 A 15 ILE HB A 11 LEU HBy 1.0 . 5.02 1035 930 A 11 LEU H A 11 LEU HBy 1.0 . 4.10 1036 931 A 12 PRO HDx A 11 LEU HBy 1.0 . 4.47 1037 932 A 11 LEU HDy% A 11 LEU HBy 1.0 . 4.13 1038 933 A 59 ASP HA A 62 LEU HBy 1.0 . 3.71 1039 934 A 62 LEU HDx% A 62 LEU HBy 1.0 . 3.54 1040 935 A 63 LEU HA A 62 LEU HBx 1.0 . 4.45 1041 936 A 62 LEU H A 62 LEU HBx 1.0 . 3.72 1042 937 A 63 LEU H A 62 LEU HBx 1.0 . 4.28 1043 938 A 47 ALA HB% A 48 ASP HBy 1.0 . 5.50 1044 939 A 64 GLN H A 62 LEU HBx 1.0 . 4.94 1045 940 A 48 ASP H A 48 ASP HBx 1.0 . 3.48 1046 941 A 49 LYS H A 48 ASP HBx 1.0 . 4.17 1047 942 A 47 ALA HB% A 48 ASP HBx 1.0 . 5.50 1048 943 A 53 GLY H A 50 ASP HB2 1.0 . 4.01 1049 943 A 50 ASP HB3 A 53 GLY H 1.0 . 4.01 1050 944 A 49 LYS HGx A 50 ASP HB2 1.0 . 5.09 1051 944 A 50 ASP HB3 A 49 LYS HGx 1.0 . 5.09 1052 945 A 54 ILE HG2% A 50 ASP HB2 1.0 . 4.27 1053 945 A 50 ASP HB3 A 54 ILE HG2% 1.0 . 4.27 1054 946 A 33 ARG H A 32 ILE HB 1.0 . 4.90 1055 947 A 32 ILE HB A 31 GLN HA 1.0 . 4.80 1056 948 A 74 ILE HB A 9 GLY H 1.0 . 4.59 1057 949 A 6 VAL H A 5 ILE HB 1.0 . 4.86 1058 950 A 5 ILE H A 5 ILE HB 1.0 . 3.64 1059 951 A 5 ILE HB A 4 PHE HA 1.0 . 4.69 1060 952 A 59 ASP HBy A 60 ILE HB 1.0 . 5.29 1061 953 A 59 ASP H A 59 ASP HBx 1.0 . 3.65 1062 954 A 56 ARG HA A 59 ASP HBx 1.0 . 3.88 1063 955 A 60 ILE HB A 59 ASP HBx 1.0 . 5.50 1064 956 A 5 ILE HB A 79 THR HB 1.0 . 4.58 1065 957 A 5 ILE HB A 80 VAL HB 1.0 . 3.85 1066 958 A 15 ILE HB A 11 LEU HA 1.0 . 5.23 1067 959 A 15 ILE HB A 12 PRO HDy 1.0 . 5.00 1068 960 A 15 ILE HB A 12 PRO HDx 1.0 . 4.41 1069 961 A 16 THR H A 15 ILE HB 1.0 . 4.43 1070 962 A 47 ALA H A 2 ASN HB2 1.0 . 4.51 1071 962 A 47 ALA H A 2 ASN HB3 1.0 . 4.51 1072 963 A 48 ASP H A 2 ASN HB2 1.0 . 4.46 1073 963 A 2 ASN HB3 A 48 ASP H 1.0 . 4.46 1074 964 A 47 ALA HA A 2 ASN HB2 1.0 . 5.02 1075 964 A 2 ASN HB3 A 47 ALA HA 1.0 . 5.02 1076 965 A 47 ALA HB% A 2 ASN HB2 1.0 . 3.54 1077 965 A 47 ALA HB% A 2 ASN HB3 1.0 . 3.54 1078 966 A 38 LYS H A 37 ASP HBy 1.0 . 4.84 1079 967 A 38 LYS HGy A 37 ASP HBy 1.0 . 5.37 1080 968 A 37 ASP HBx A 38 LYS HA 1.0 . 4.97 1081 969 A 37 ASP HBx A 38 LYS HGy 1.0 . 5.33 1082 970 A 21 GLN H A 22 ASN HB2 1.0 . 4.58 1083 970 A 21 GLN H A 22 ASN HB3 1.0 . 4.58 1084 971 A 22 ASN H A 22 ASN HB2 1.0 . 2.82 1085 971 A 22 ASN HB3 A 22 ASN H 1.0 . 2.82 1086 972 A 19 GLU HA A 22 ASN HB2 1.0 . 3.43 1087 972 A 22 ASN HB3 A 19 GLU HA 1.0 . 3.43 1088 973 A 43 LEU HDx% A 24 PHE HBx 1.0 . 5.48 1089 974 A 24 PHE HBy A 29 PRO HDy 1.0 . 4.66 1090 975 A 24 PHE HBy A 29 PRO HGx 1.0 . 4.87 1091 976 A 24 PHE HBy A 43 LEU HDy% 1.0 . 5.41 1092 977 A 20 LEU H A 19 GLU HG2 1.0 . 4.91 1093 977 A 20 LEU H A 19 GLU HG3 1.0 . 4.91 1094 978 A 15 ILE HD1% A 19 GLU HG2 1.0 . 4.36 1095 978 A 19 GLU HG3 A 15 ILE HD1% 1.0 . 4.36 1096 979 A 19 GLU HG3 A 70 LYS HE2 1.0 . 4.57 1097 979 A 19 GLU HG2 A 70 LYS HE2 1.0 . 4.57 1098 979 A 70 LYS HE3 A 19 GLU HG2 1.0 . 4.57 1099 979 A 70 LYS HE3 A 19 GLU HG3 1.0 . 4.57 1100 980 A 60 ILE HG2% A 26 ASN HBy 1.0 . 3.67 1101 981 A 60 ILE HG2% A 26 ASN HBx 1.0 . 3.81 1102 982 A 54 ILE HB A 50 ASP HB2 1.0 . 4.11 1103 982 A 50 ASP HB3 A 54 ILE HB 1.0 . 4.11 1104 983 A 71 GLU H A 71 GLU HGy 1.0 . 4.04 1105 984 A 71 GLU H A 71 GLU HGx 1.0 . 3.86 1106 985 A 71 GLU HA A 71 GLU HGx 1.0 . 3.47 1107 986 A 5 ILE HG2% A 44 GLU HG2 1.0 . 5.50 1108 986 A 5 ILE HG2% A 44 GLU HG3 1.0 . 5.50 1109 987 A 45 PHE H A 44 GLU HG2 1.0 . 4.59 1110 987 A 45 PHE H A 44 GLU HG3 1.0 . 4.59 1111 988 A 44 GLU H A 44 GLU HG2 1.0 . 4.45 1112 988 A 44 GLU H A 44 GLU HG3 1.0 . 4.45 1113 989 A 44 GLU HA A 44 GLU HG2 1.0 . 3.98 1114 989 A 44 GLU HA A 44 GLU HG3 1.0 . 3.98 1115 990 A 5 ILE HD1% A 44 GLU HG2 1.0 . 4.77 1116 990 A 5 ILE HD1% A 44 GLU HG3 1.0 . 4.77 1117 991 A 76 VAL HA A 77 GLU HGy 1.0 . 5.47 1118 992 A 7 PHE HBx A 77 GLU HGx 1.0 . 5.19 1119 993 A 77 GLU H A 77 GLU HGy 1.0 . 5.00 1120 994 A 7 PHE HD% A 77 GLU HGy 1.0 . 5.11 1121 995 A 7 PHE HBx A 77 GLU HGy 1.0 . 5.01 1122 996 A 78 LEU H A 77 GLU HGy 1.0 . 5.01 1123 997 A 78 LEU H A 77 GLU HGx 1.0 . 5.21 1124 998 A 7 PHE HD% A 77 GLU HGx 1.0 . 5.35 1125 999 A 77 GLU H A 76 VAL HB 1.0 . 4.83 1126 1000 A 76 VAL HB A 65 HIS HBx 1.0 . 3.87 1127 1001 A 78 LEU H A 77 GLU HBy 1.0 . 4.31 1128 1002 A 6 VAL HB A 6 VAL H 1.0 . 3.56 1129 1003 A 6 VAL HB A 45 PHE HE% 1.0 . 3.85 1130 1004 A 6 VAL HB A 43 LEU HBy 1.0 . 3.64 1131 1005 A 78 LEU HDx% A 77 GLU HBx 1.0 . 5.25 1132 1006 A 78 LEU H A 77 GLU HBx 1.0 . 4.22 1133 1007 A 7 PHE HD% A 77 GLU HBx 1.0 . 4.84 1134 1008 A 7 PHE HBx A 77 GLU HBx 1.0 . 4.47 1135 1009 A 40 ILE HG1y A 38 LYS HBx 1.0 . 5.32 1136 1010 A 74 ILE HG2% A 72 LYS HBy 1.0 . 5.44 1137 1011 A 69 LEU H A 72 LYS HBx 1.0 . 5.32 1138 1012 A 40 ILE H A 38 LYS HBx 1.0 . 4.78 1139 1013 A 72 LYS HBy A 12 PRO HDy 1.0 . 4.77 1140 1014 A 72 LYS HBx A 72 LYS HE2 1.0 . 5.01 1141 1014 A 72 LYS HBx A 72 LYS HE3 1.0 . 5.01 1142 1015 A 73 LYS H A 72 LYS HBx 1.0 . 4.54 1143 1016 A 72 LYS HBx A 12 PRO HDy 1.0 . 4.49 1144 1017 A 74 ILE HG2% A 72 LYS HBx 1.0 . 4.68 1145 1018 A 32 ILE H A 31 GLN HGx 1.0 . 4.44 1146 1019 A 72 LYS HBy A 72 LYS HE2 1.0 . 4.49 1147 1019 A 72 LYS HBy A 72 LYS HE3 1.0 . 4.49 1148 1020 A 21 GLN HA A 21 GLN HG2 1.0 . 3.90 1149 1020 A 21 GLN HA A 21 GLN HG3 1.0 . 3.90 1150 1021 A 32 ILE HD1% A 21 GLN HG2 1.0 . 4.06 1151 1021 A 32 ILE HD1% A 21 GLN HG3 1.0 . 4.06 1152 1022 A 55 GLN HE21 A 55 GLN HG2 1.0 . 4.08 1153 1022 A 55 GLN HG3 A 55 GLN HE21 1.0 . 4.08 1154 1023 A 56 ARG HA A 55 GLN HG2 1.0 . 4.95 1155 1023 A 55 GLN HG3 A 56 ARG HA 1.0 . 4.95 1156 1024 A 55 GLN HA A 55 GLN HG2 1.0 . 3.44 1157 1024 A 55 GLN HG3 A 55 GLN HA 1.0 . 3.44 1158 1025 A 55 GLN HB3 A 55 GLN HG2 1.0 . 2.71 1159 1025 A 55 GLN HG3 A 55 GLN HB2 1.0 . 2.71 1160 1025 A 55 GLN HG3 A 55 GLN HB3 1.0 . 2.71 1161 1025 A 55 GLN HB2 A 55 GLN HG2 1.0 . 2.71 1162 1026 A 54 ILE HG2% A 55 GLN HG2 1.0 . 4.53 1163 1026 A 55 GLN HG3 A 54 ILE HG2% 1.0 . 4.53 1164 1027 A 41 ALA H A 8 VAL HB 1.0 . 3.90 1165 1028 A 8 VAL HB A 11 LEU HDy% 1.0 . 4.36 1166 1029 A 21 GLN HB3 A 21 GLN HG2 1.0 . 2.86 1167 1029 A 21 GLN HB2 A 21 GLN HG2 1.0 . 2.86 1168 1029 A 21 GLN HG3 A 21 GLN HB2 1.0 . 2.86 1169 1029 A 21 GLN HB3 A 21 GLN HG3 1.0 . 2.86 1170 1030 A 5 ILE H A 80 VAL HB 1.0 . 4.36 1171 1031 A 24 PHE HD% A 64 GLN HGy 1.0 . 5.04 1172 1032 A 64 GLN HGy A 24 PHE HE% 1.0 . 4.61 1173 1033 A 44 GLU H A 31 GLN HBy 1.0 . 4.18 1174 1034 A 24 PHE HD% A 64 GLN HGx 1.0 . 4.70 1175 1035 A 23 HIS HD2 A 64 GLN HGx 1.0 . 5.13 1176 1036 A 24 PHE HE% A 64 GLN HGx 1.0 . 4.43 1177 1037 A 64 GLN HGx A 61 ALA HA 1.0 . 4.40 1178 1038 A 73 LYS HBx A 66 GLY HAx 1.0 . 5.47 1179 1039 A 5 ILE HD1% A 44 GLU HB2 1.0 . 5.06 1180 1039 A 44 GLU HB3 A 5 ILE HD1% 1.0 . 5.06 1181 1040 A 46 ASP HA A 3 ARG HB2 1.0 . 4.31 1182 1040 A 46 ASP HA A 3 ARG HB3 1.0 . 4.31 1183 1041 A 73 LYS HBy A 66 GLY HAx 1.0 . 4.98 1184 1042 A 73 LYS HBx A 73 LYS HE2 1.0 . 4.55 1185 1042 A 73 LYS HBx A 73 LYS HE3 1.0 . 4.55 1186 1043 A 24 PHE H A 23 HIS HBy 1.0 . 4.22 1187 1044 A 24 PHE HD% A 23 HIS HBy 1.0 . 4.31 1188 1045 A 23 HIS H A 23 HIS HBx 1.0 . 3.65 1189 1046 A 22 ASN HA A 25 LYS HBy 1.0 . 3.78 1190 1047 A 25 LYS HBy A 25 LYS HE2 1.0 . 5.38 1191 1047 A 25 LYS HBy A 25 LYS HE3 1.0 . 5.38 1192 1048 A 22 ASN HA A 25 LYS HBx 1.0 . 3.69 1193 1049 A 3 ARG HB2 A 3 ARG HD2 1.0 . 3.64 1194 1049 A 3 ARG HB3 A 3 ARG HD2 1.0 . 3.64 1195 1049 A 3 ARG HD3 A 3 ARG HB2 1.0 . 3.64 1196 1049 A 3 ARG HB3 A 3 ARG HD3 1.0 . 3.64 1197 1050 A 55 GLN HA A 58 MET HBy 1.0 . 4.17 1198 1051 A 54 ILE HD1% A 58 MET HBy 1.0 . 5.50 1199 1052 A 55 GLN HA A 58 MET HBx 1.0 . 4.57 1200 1053 A 12 PRO HBx A 70 LYS HE2 1.0 . 5.00 1201 1053 A 70 LYS HE3 A 12 PRO HBx 1.0 . 5.00 1202 1054 A 42 PHE HBx A 33 ARG HBy 1.0 . 4.15 1203 1055 A 42 PHE HD% A 33 ARG HBy 1.0 . 4.66 1204 1056 A 42 PHE HD% A 33 ARG HBx 1.0 . 4.52 1205 1057 A 42 PHE HBy A 33 ARG HBx 1.0 . 5.05 1206 1058 A 42 PHE H A 33 ARG HBx 1.0 . 5.09 1207 1059 A 76 VAL HB A 65 HIS HBy 1.0 . 3.48 1208 1060 A 65 HIS HBy A 76 VAL HGy% 1.0 . 4.33 1209 1061 A 76 VAL H A 65 HIS HBy 1.0 . 4.33 1210 1062 A 66 GLY H A 65 HIS HBy 1.0 . 4.44 1211 1063 A 66 GLY H A 65 HIS HBx 1.0 . 4.73 1212 1064 A 76 VAL H A 65 HIS HBx 1.0 . 4.77 1213 1065 A 12 PRO HBy A 72 LYS HGx 1.0 . 4.75 1214 1066 A 12 PRO HBx A 15 ILE HD1% 1.0 . 4.54 1215 1067 A 42 PHE HBy A 33 ARG HBy 1.0 . 4.94 1216 1068 A 33 ARG H A 33 ARG HBx 1.0 . 4.15 1217 1069 A 45 PHE HD% A 58 MET HGx 1.0 . 5.13 1218 1070 A 78 LEU HDx% A 58 MET HGx 1.0 . 4.97 1219 1071 A 29 PRO HBy A 45 PHE HE% 1.0 . 5.12 1220 1072 A 43 LEU HDx% A 29 PRO HBy 1.0 . 5.24 1221 1073 A 44 GLU H A 29 PRO HBy 1.0 . 4.53 1222 1074 A 43 LEU HA A 29 PRO HBy 1.0 . 4.91 1223 1075 A 32 ILE HD1% A 29 PRO HBy 1.0 . 4.68 1224 1076 A 29 PRO HBy A 43 LEU HDy% 1.0 . 4.92 1225 1077 A 44 GLU H A 29 PRO HBx 1.0 . 4.80 1226 1078 A 29 PRO HBx A 45 PHE HE% 1.0 . 5.44 1227 1079 A 29 PRO HBx A 43 LEU HBx 1.0 . 4.31 1228 1080 A 45 PHE HD% A 57 ARG HBy 1.0 . 4.23 1229 1081 A 45 PHE HD% A 57 ARG HBx 1.0 . 5.07 1230 1082 A 43 LEU HDx% A 29 PRO HBx 1.0 . 5.20 1231 1083 A 31 GLN H A 29 PRO HBx 1.0 . 5.24 1232 1084 A 32 ILE HD1% A 29 PRO HBx 1.0 . 5.16 1233 1085 A 19 GLU HBy A 15 ILE HD1% 1.0 . 4.37 1234 1086 A 19 GLU HBy A 19 GLU H 1.0 . 4.00 1235 1087 A 50 ASP HA A 51 ARG HB2 1.0 . 5.23 1236 1087 A 50 ASP HA A 51 ARG HB3 1.0 . 5.23 1237 1088 A 19 GLU HBx A 15 ILE HD1% 1.0 . 4.30 1238 1089 A 51 ARG HB2 A 51 ARG HD2 1.0 . 3.59 1239 1089 A 51 ARG HB3 A 51 ARG HD2 1.0 . 3.59 1240 1089 A 51 ARG HD3 A 51 ARG HB2 1.0 . 3.59 1241 1089 A 51 ARG HD3 A 51 ARG HB3 1.0 . 3.59 1242 1090 A 70 LYS HBy A 12 PRO HGy 1.0 . 3.56 1243 1091 A 71 GLU H A 70 LYS HBy 1.0 . 4.27 1244 1092 A 56 ARG H A 56 ARG HBy 1.0 . 3.48 1245 1092 A 56 ARG H A 56 ARG HBx 1.0 . 3.48 1246 1093 A 57 ARG H A 56 ARG HBy 1.0 . 4.17 1247 1093 A 57 ARG H A 56 ARG HBx 1.0 . 4.17 1248 1094 A 60 ILE HA A 60 ILE HG1y 1.0 . 3.65 1249 1095 A 71 GLU H A 70 LYS HBx 1.0 . 4.50 1250 1096 A 60 ILE H A 60 ILE HG1y 1.0 . 3.67 1251 1097 A 15 ILE H A 15 ILE HG1y 1.0 . 4.66 1252 1098 A 15 ILE HG1y A 15 ILE HA 1.0 . 3.85 1253 1099 A 15 ILE HG1y A 70 LYS HE2 1.0 . 3.86 1254 1099 A 70 LYS HE3 A 15 ILE HG1y 1.0 . 3.86 1255 1100 A 15 ILE HG1y A 34 LEU HG 1.0 . 3.01 1256 1101 A 15 ILE HA A 70 LYS HD2 1.0 . 5.20 1257 1101 A 15 ILE HA A 70 LYS HD3 1.0 . 5.20 1258 1102 A 70 LYS HA A 70 LYS HD2 1.0 . 4.88 1259 1102 A 70 LYS HA A 70 LYS HD3 1.0 . 4.88 1260 1103 A 12 PRO HGy A 70 LYS HD2 1.0 . 4.35 1261 1103 A 12 PRO HGy A 70 LYS HD3 1.0 . 4.35 1262 1104 A 15 ILE HG1x A 12 PRO HDx 1.0 . 5.30 1263 1105 A 16 THR H A 15 ILE HG1x 1.0 . 4.63 1264 1106 A 38 LYS HBy A 38 LYS HD2 1.0 . 3.85 1265 1106 A 38 LYS HBy A 38 LYS HD3 1.0 . 3.85 1266 1107 A 4 PHE HD% A 54 ILE HG1y 1.0 . 5.24 1267 1108 A 54 ILE HG1y A 47 ALA HA 1.0 . 5.22 1268 1109 A 45 PHE HBx A 54 ILE HG1y 1.0 . 4.68 1269 1110 A 45 PHE HBy A 54 ILE HG1y 1.0 . 4.92 1270 1111 A 54 ILE HG1y A 58 MET HGy 1.0 . 4.54 1271 1112 A 15 ILE HG1x A 34 LEU HG 1.0 . 3.73 1272 1113 A 54 ILE H A 54 ILE HG1x 1.0 . 4.94 1273 1114 A 4 PHE HD% A 54 ILE HG1x 1.0 . 5.38 1274 1115 A 45 PHE HBx A 54 ILE HG1x 1.0 . 5.17 1275 1116 A 54 ILE HG1x A 58 MET HGy 1.0 . 4.97 1276 1117 A 38 LYS H A 35 ARG HBx 1.0 . 5.05 1277 1118 A 35 ARG HBy A 40 ILE H 1.0 . 5.28 1278 1119 A 40 ILE HG1y A 35 ARG HBx 1.0 . 4.45 1279 1120 A 64 GLN HBy A 61 ALA HA 1.0 . 5.26 1280 1121 A 64 GLN HBx A 74 ILE HD1% 1.0 . 5.26 1281 1122 A 64 GLN HBy A 74 ILE HD1% 1.0 . 4.90 1282 1123 A 64 GLN HBy A 24 PHE HE% 1.0 . 4.34 1283 1124 A 64 GLN HBy A 76 VAL HGy% 1.0 . 4.66 1284 1125 A 12 PRO HGy A 70 LYS HE2 1.0 . 5.20 1285 1125 A 70 LYS HE3 A 12 PRO HGy 1.0 . 5.20 1286 1126 A 73 LYS H A 72 LYS HD2 1.0 . 4.62 1287 1126 A 73 LYS H A 72 LYS HD3 1.0 . 4.62 1288 1127 A 20 LEU H A 21 GLN HB2 1.0 . 5.16 1289 1127 A 21 GLN HB3 A 20 LEU H 1.0 . 5.16 1290 1128 A 22 ASN HA A 21 GLN HB2 1.0 . 4.84 1291 1128 A 22 ASN HA A 21 GLN HB3 1.0 . 4.84 1292 1129 A 21 GLN HA A 21 GLN HB2 1.0 . 3.02 1293 1129 A 21 GLN HA A 21 GLN HB3 1.0 . 3.02 1294 1130 A 21 GLN HB2 A 22 ASN HB2 1.0 . 4.60 1295 1130 A 21 GLN HB3 A 22 ASN HB2 1.0 . 4.60 1296 1130 A 22 ASN HB3 A 21 GLN HB2 1.0 . 4.60 1297 1130 A 22 ASN HB3 A 21 GLN HB3 1.0 . 4.60 1298 1131 A 54 ILE H A 55 GLN HB2 1.0 . 5.15 1299 1131 A 54 ILE H A 55 GLN HB3 1.0 . 5.15 1300 1132 A 42 PHE HD% A 33 ARG HGy 1.0 . 4.93 1301 1133 A 66 GLY HAy A 73 LYS HD2 1.0 . 4.06 1302 1133 A 66 GLY HAy A 73 LYS HD3 1.0 . 4.06 1303 1134 A 33 ARG H A 33 ARG HGy 1.0 . 4.91 1304 1135 A 33 ARG HA A 33 ARG HGy 1.0 . 3.98 1305 1136 A 33 ARG H A 33 ARG HGx 1.0 . 4.49 1306 1137 A 62 LEU H A 62 LEU HG 1.0 . 3.53 1307 1138 A 27 SER HA A 57 ARG HG2 1.0 . 4.56 1308 1138 A 57 ARG HG3 A 27 SER HA 1.0 . 4.56 1309 1139 A 33 ARG HA A 33 ARG HGx 1.0 . 4.13 1310 1140 A 68 LEU HA A 68 LEU HG 1.0 . 4.03 1311 1141 A 6 VAL H A 5 ILE HG1y 1.0 . 5.02 1312 1142 A 5 ILE H A 5 ILE HG1y 1.0 . 4.18 1313 1143 A 5 ILE HA A 5 ILE HG1y 1.0 . 4.09 1314 1144 A 4 PHE H A 3 ARG HG2 1.0 . 4.89 1315 1144 A 4 PHE H A 3 ARG HG3 1.0 . 4.89 1316 1145 A 46 ASP HA A 3 ARG HG2 1.0 . 4.40 1317 1145 A 46 ASP HA A 3 ARG HG3 1.0 . 4.40 1318 1146 A 5 ILE HA A 5 ILE HG1x 1.0 . 3.99 1319 1147 A 5 ILE H A 5 ILE HG1x 1.0 . 4.43 1320 1148 A 4 PHE HA A 5 ILE HG1x 1.0 . 5.31 1321 1149 A 78 LEU H A 78 LEU HG 1.0 . 4.23 1322 1150 A 78 LEU HA A 78 LEU HG 1.0 . 4.25 1323 1151 A 57 ARG H A 56 ARG HGy 1.0 . 5.20 1324 1152 A 56 ARG H A 56 ARG HGx 1.0 . 4.41 1325 1153 A 56 ARG HA A 56 ARG HGx 1.0 . 4.17 1326 1154 A 3 ARG H A 3 ARG HG2 1.0 . 5.34 1327 1154 A 3 ARG H A 3 ARG HG3 1.0 . 5.34 1328 1155 A 68 LEU HDx% A 68 LEU HA 1.0 . 5.50 1329 1156 A 63 LEU H A 63 LEU HG 1.0 . 3.80 1330 1157 A 60 ILE HA A 63 LEU HG 1.0 . 4.39 1331 1158 A 32 ILE HG2% A 43 LEU HG 1.0 . 3.52 1332 1159 A 11 LEU HDy% A 12 PRO HDx 1.0 . 5.50 1333 1160 A 11 LEU HDy% A 15 ILE HG1x 1.0 . 3.46 1334 1161 A 11 LEU HDy% A 11 LEU HBx 1.0 . 3.53 1335 1162 A 42 PHE HE% A 35 ARG HGy 1.0 . 5.47 1336 1163 A 42 PHE HE% A 35 ARG HGx 1.0 . 5.50 1337 1164 A 35 ARG H A 35 ARG HGx 1.0 . 4.75 1338 1165 A 38 LYS HBy A 40 ILE HG1x 1.0 . 4.73 1339 1166 A 39 GLY HAx A 11 LEU HDx% 1.0 . 4.49 1340 1167 A 15 ILE HG1x A 11 LEU HDx% 1.0 . 4.85 1341 1168 A 11 LEU HBy A 11 LEU HDx% 1.0 . 4.23 1342 1169 A 75 ASN HD22 A 11 LEU HDx% 1.0 . 4.61 1343 1170 A 11 LEU HDy% A 10 SER H 1.0 . 5.50 1344 1171 A 11 LEU HDy% A 15 ILE HD1% 1.0 . 3.58 1345 1172 A 40 ILE HG1y A 40 ILE H 1.0 . 4.20 1346 1173 A 41 ALA H A 40 ILE HG1x 1.0 . 4.92 1347 1174 A 40 ILE HG1x A 42 PHE HE% 1.0 . 5.32 1348 1175 A 20 LEU HDx% A 24 PHE HD% 1.0 . 4.98 1349 1176 A 20 LEU HDx% A 24 PHE HE% 1.0 . 4.51 1350 1177 A 20 LEU HDx% A 20 LEU HA 1.0 . 3.89 1351 1178 A 34 LEU HBy A 20 LEU HDx% 1.0 . 3.48 1352 1179 A 20 LEU HDx% A 20 LEU HBx 1.0 . 3.38 1353 1180 A 20 LEU HDx% A 34 LEU HG 1.0 . 3.22 1354 1181 A 34 LEU HBx A 20 LEU HDx% 1.0 . 3.37 1355 1182 A 20 LEU HDx% A 43 LEU HDy% 1.0 . 4.43 1356 1183 A 43 LEU HDx% A 20 LEU HDx% 1.0 . 5.11 1357 1184 A 70 LYS H A 69 LEU HDx% 1.0 . 5.22 1358 1185 A 23 HIS HD2 A 69 LEU HDx% 1.0 . 5.43 1359 1186 A 23 HIS HBy A 69 LEU HDx% 1.0 . 4.35 1360 1187 A 15 ILE HD1% A 69 LEU HDx% 1.0 . 3.49 1361 1188 A 74 ILE HD1% A 69 LEU HDx% 1.0 . 3.45 1362 1189 A 49 LYS HGy A 49 LYS HE2 1.0 . 4.08 1363 1189 A 49 LYS HGy A 49 LYS HE3 1.0 . 4.08 1364 1190 A 49 LYS HGy A 49 LYS HA 1.0 . 4.06 1365 1191 A 49 LYS H A 49 LYS HGx 1.0 . 4.72 1366 1192 A 69 LEU HA A 70 LYS HG2 1.0 . 4.62 1367 1192 A 70 LYS HG3 A 69 LEU HA 1.0 . 4.62 1368 1193 A 71 GLU H A 70 LYS HG2 1.0 . 4.98 1369 1193 A 71 GLU H A 70 LYS HG3 1.0 . 4.98 1370 1194 A 12 PRO HGy A 70 LYS HG2 1.0 . 4.68 1371 1194 A 70 LYS HG3 A 12 PRO HGy 1.0 . 4.68 1372 1195 A 78 LEU HDx% A 78 LEU HBy 1.0 . 3.05 1373 1196 A 78 LEU HDx% A 78 LEU HBx 1.0 . 3.34 1374 1197 A 63 LEU H A 63 LEU HDx% 1.0 . 4.54 1375 1198 A 62 LEU HDx% A 59 ASP HA 1.0 . 3.99 1376 1199 A 60 ILE HA A 63 LEU HDx% 1.0 . 3.72 1377 1200 A 71 GLU H A 68 LEU HDy% 1.0 . 5.05 1378 1201 A 68 LEU HDy% A 68 LEU H 1.0 . 4.68 1379 1202 A 68 LEU HDy% A 68 LEU HA 1.0 . 4.36 1380 1203 A 71 GLU HA A 68 LEU HDy% 1.0 . 4.00 1381 1204 A 68 LEU HDy% A 73 LYS HE2 1.0 . 5.05 1382 1204 A 68 LEU HDy% A 73 LYS HE3 1.0 . 5.05 1383 1205 A 68 LEU HBx A 68 LEU HDy% 1.0 . 3.43 1384 1206 A 73 LYS HA A 68 LEU HDy% 1.0 . 4.77 1385 1207 A 68 LEU HDy% A 73 LYS HD2 1.0 . 3.51 1386 1207 A 68 LEU HDy% A 73 LYS HD3 1.0 . 3.51 1387 1208 A 49 LYS HGy A 49 LYS HD2 1.0 . 2.96 1388 1208 A 49 LYS HGy A 49 LYS HD3 1.0 . 2.96 1389 1209 A 11 LEU HG A 15 ILE HD1% 1.0 . 2.93 1390 1210 A 38 LYS H A 38 LYS HGx 1.0 . 4.49 1391 1211 A 38 LYS HGx A 38 LYS HD2 1.0 . 2.92 1392 1211 A 38 LYS HD3 A 38 LYS HGx 1.0 . 2.92 1393 1212 A 73 LYS HA A 73 LYS HG2 1.0 . 4.17 1394 1212 A 73 LYS HA A 73 LYS HG3 1.0 . 4.17 1395 1213 A 66 GLY HAy A 73 LYS HG2 1.0 . 4.62 1396 1213 A 73 LYS HG3 A 66 GLY HAy 1.0 . 4.62 1397 1214 A 66 GLY HAx A 73 LYS HG2 1.0 . 4.18 1398 1214 A 73 LYS HG3 A 66 GLY HAx 1.0 . 4.18 1399 1215 A 78 LEU H A 78 LEU HDy% 1.0 . 4.32 1400 1216 A 79 THR H A 78 LEU HDy% 1.0 . 3.91 1401 1217 A 4 PHE HD% A 78 LEU HDy% 1.0 . 4.45 1402 1218 A 78 LEU HA A 78 LEU HDy% 1.0 . 3.32 1403 1219 A 78 LEU HDy% A 4 PHE HB2 1.0 . 4.06 1404 1219 A 4 PHE HB3 A 78 LEU HDy% 1.0 . 4.06 1405 1220 A 72 LYS HGy A 72 LYS HA 1.0 . 3.69 1406 1221 A 72 LYS HGy A 12 PRO HDy 1.0 . 5.31 1407 1222 A 74 ILE HG1x A 67 THR H 1.0 . 4.85 1408 1223 A 72 LYS HGx A 72 LYS HE2 1.0 . 4.16 1409 1223 A 72 LYS HE3 A 72 LYS HGx 1.0 . 4.16 1410 1224 A 41 ALA HB% A 40 ILE HA 1.0 . 4.39 1411 1225 A 11 LEU HG A 12 PRO HDy 1.0 . 3.89 1412 1226 A 12 PRO HDx A 11 LEU HG 1.0 . 3.71 1413 1227 A 15 ILE HG1x A 11 LEU HG 1.0 . 3.32 1414 1228 A 72 LYS H A 72 LYS HGx 1.0 . 4.63 1415 1229 A 72 LYS HGx A 72 LYS HA 1.0 . 4.03 1416 1230 A 41 ALA HB% A 11 LEU HDy% 1.0 . 3.89 1417 1231 A 43 LEU HDx% A 43 LEU H 1.0 . 4.53 1418 1232 A 43 LEU HDx% A 24 PHE HE% 1.0 . 4.74 1419 1233 A 43 LEU HDx% A 24 PHE HZ 1.0 . 4.42 1420 1234 A 43 LEU HDx% A 45 PHE HZ 1.0 . 5.32 1421 1235 A 43 LEU HDx% A 42 PHE HA 1.0 . 5.17 1422 1236 A 43 LEU HDx% A 43 LEU HA 1.0 . 4.59 1423 1237 A 43 LEU HDx% A 32 ILE HA 1.0 . 5.04 1424 1238 A 43 LEU HDx% A 24 PHE HBy 1.0 . 5.22 1425 1239 A 6 VAL HB A 43 LEU HDx% 1.0 . 4.20 1426 1240 A 43 LEU HDx% A 43 LEU HBy 1.0 . 3.80 1427 1241 A 43 LEU HDx% A 43 LEU HBx 1.0 . 3.47 1428 1242 A 43 LEU HDx% A 6 VAL HGx% 1.0 . 4.04 1429 1243 A 43 LEU HDx% A 8 VAL HGx% 1.0 . 3.98 1430 1244 A 34 LEU HA A 34 LEU HDx% 1.0 . 3.57 1431 1245 A 41 ALA HA A 34 LEU HDx% 1.0 . 3.51 1432 1246 A 34 LEU HBx A 34 LEU HDx% 1.0 . 4.12 1433 1247 A 20 LEU HDy% A 34 LEU HDx% 1.0 . 3.24 1434 1248 A 62 LEU H A 62 LEU HDy% 1.0 . 4.22 1435 1249 A 77 GLU HA A 62 LEU HDy% 1.0 . 3.68 1436 1250 A 62 LEU HDy% A 62 LEU HBx 1.0 . 3.22 1437 1251 A 34 LEU HDy% A 40 ILE H 1.0 . 5.30 1438 1252 A 34 LEU HDy% A 35 ARG HA 1.0 . 4.19 1439 1253 A 34 LEU HDy% A 34 LEU HBy 1.0 . 4.16 1440 1254 A 34 LEU HDy% A 36 ALA H 1.0 . 3.54 1441 1255 A 34 LEU HBx A 34 LEU HDy% 1.0 . 3.66 1442 1256 A 70 LYS H A 69 LEU HDy% 1.0 . 3.85 1443 1257 A 69 LEU HA A 69 LEU HDy% 1.0 . 3.38 1444 1258 A 70 LYS HA A 69 LEU HDy% 1.0 . 4.71 1445 1259 A 23 HIS HBy A 69 LEU HDy% 1.0 . 3.68 1446 1260 A 69 LEU HDy% A 70 LYS HG2 1.0 . 4.57 1447 1260 A 70 LYS HG3 A 69 LEU HDy% 1.0 . 4.57 1448 1261 A 69 LEU HBx A 69 LEU HDy% 1.0 . 3.67 1449 1262 A 43 LEU H A 43 LEU HDy% 1.0 . 4.73 1450 1263 A 33 ARG H A 43 LEU HDy% 1.0 . 5.33 1451 1264 A 44 GLU H A 43 LEU HDy% 1.0 . 4.71 1452 1265 A 24 PHE HD% A 43 LEU HDy% 1.0 . 4.98 1453 1266 A 43 LEU HA A 43 LEU HDy% 1.0 . 3.74 1454 1267 A 24 PHE HBx A 43 LEU HDy% 1.0 . 5.17 1455 1268 A 32 ILE HD1% A 43 LEU HDy% 1.0 . 3.34 1456 1269 A 63 LEU H A 63 LEU HDy% 1.0 . 4.47 1457 1270 A 63 LEU HDy% A 60 ILE HA 1.0 . 5.44 1458 1271 A 34 LEU HDy% A 15 ILE HG2% 1.0 . 3.01 1459 1272 A 69 LEU H A 69 LEU HDy% 1.0 . 5.32 1460 1273 A 23 HIS H A 69 LEU HDy% 1.0 . 4.94 1461 1274 A 23 HIS HD2 A 69 LEU HDy% 1.0 . 5.38 1462 1275 A 15 ILE HD1% A 69 LEU HDy% 1.0 . 3.48 1463 1276 A 6 VAL H A 6 VAL HGy% 1.0 . 3.80 1464 1277 A 6 VAL HGy% A 45 PHE HE% 1.0 . 3.43 1465 1278 A 6 VAL HGy% A 6 VAL HA 1.0 . 3.23 1466 1279 A 8 VAL HGy% A 76 VAL HGy% 1.0 . 3.37 1467 1280 A 16 THR HG2% A 18 VAL HGy% 1.0 . 3.43 1468 1281 A 8 VAL HGy% A 24 PHE HE% 1.0 . 4.23 1469 1282 A 8 VAL HGy% A 9 GLY H 1.0 . 3.73 1470 1283 A 8 VAL HGy% A 8 VAL HA 1.0 . 3.54 1471 1284 A 8 VAL HGy% A 11 LEU HDy% 1.0 . 4.30 1472 1285 A 6 VAL H A 6 VAL HGx% 1.0 . 4.98 1473 1286 A 7 PHE H A 6 VAL HGx% 1.0 . 3.91 1474 1287 A 6 VAL HGx% A 45 PHE HE% 1.0 . 4.45 1475 1288 A 6 VAL HGx% A 76 VAL HA 1.0 . 4.41 1476 1289 A 6 VAL HGx% A 6 VAL HA 1.0 . 3.50 1477 1290 A 7 PHE HBx A 6 VAL HGx% 1.0 . 4.91 1478 1291 A 77 GLU H A 76 VAL HGy% 1.0 . 4.70 1479 1292 A 76 VAL HGy% A 9 GLY H 1.0 . 5.50 1480 1293 A 76 VAL HGy% A 24 PHE HE% 1.0 . 4.04 1481 1294 A 76 VAL HGy% A 24 PHE HZ 1.0 . 3.75 1482 1295 A 76 VAL HGy% A 76 VAL HA 1.0 . 3.63 1483 1296 A 8 VAL HA A 76 VAL HGy% 1.0 . 4.37 1484 1297 A 8 VAL HGx% A 76 VAL HGy% 1.0 . 3.55 1485 1298 A 76 VAL H A 76 VAL HGy% 1.0 . 4.20 1486 1299 A 18 VAL HGy% A 18 VAL H 1.0 . 3.60 1487 1300 A 6 VAL HGx% A 76 VAL HGy% 1.0 . 5.44 1488 1301 A 8 VAL HGx% A 9 GLY H 1.0 . 4.41 1489 1302 A 8 VAL HGx% A 76 VAL HA 1.0 . 4.33 1490 1303 A 8 VAL HGx% A 8 VAL HA 1.0 . 3.78 1491 1304 A 7 PHE HA A 8 VAL HGx% 1.0 . 4.83 1492 1305 A 8 VAL HGx% A 11 LEU HDy% 1.0 . 4.54 1493 1306 A 8 VAL HGx% A 43 LEU HDy% 1.0 . 4.32 1494 1307 A 79 THR HG2% A 42 PHE HE% 1.0 . 4.66 1495 1308 A 7 PHE HBx A 79 THR HG2% 1.0 . 3.97 1496 1309 A 16 THR HG2% A 16 THR HA 1.0 . 3.30 1497 1310 A 80 VAL H A 80 VAL HGy% 1.0 . 5.16 1498 1311 A 18 VAL HGx% A 18 VAL H 1.0 . 4.45 1499 1312 A 18 VAL HGx% A 18 VAL HA 1.0 . 3.56 1500 1313 A 18 VAL HGx% A 22 ASN HB2 1.0 . 4.75 1501 1313 A 22 ASN HB3 A 18 VAL HGx% 1.0 . 4.75 1502 1314 A 80 VAL H A 80 VAL HGx% 1.0 . 4.57 1503 1315 A 80 VAL HA A 80 VAL HGx% 1.0 . 3.89 1504 1316 A 79 THR HG2% A 80 VAL HGx% 1.0 . 3.89 1505 1317 A 15 ILE HG2% A 70 LYS HE2 1.0 . 5.50 1506 1317 A 70 LYS HE3 A 15 ILE HG2% 1.0 . 5.50 1507 1318 A 15 ILE HG2% A 12 PRO HDx 1.0 . 4.56 1508 1319 A 15 ILE HG2% A 34 LEU HG 1.0 . 3.62 1509 1320 A 15 ILE HG1x A 15 ILE HG2% 1.0 . 3.43 1510 1321 A 11 LEU HDy% A 15 ILE HG2% 1.0 . 4.17 1511 1322 A 47 ALA H A 47 ALA HB% 1.0 . 3.33 1512 1323 A 4 PHE HD% A 47 ALA HB% 1.0 . 3.54 1513 1324 A 47 ALA HB% A 3 ARG HA 1.0 . 4.61 1514 1325 A 46 ASP HA A 47 ALA HB% 1.0 . 4.21 1515 1326 A 54 ILE HD1% A 47 ALA HB% 1.0 . 3.76 1516 1327 A 6 VAL H A 5 ILE HG2% 1.0 . 3.66 1517 1328 A 5 ILE HG2% A 5 ILE H 1.0 . 5.23 1518 1329 A 7 PHE HA A 5 ILE HG2% 1.0 . 5.04 1519 1330 A 5 ILE HG2% A 6 VAL HA 1.0 . 4.87 1520 1331 A 5 ILE HG2% A 42 PHE HE% 1.0 . 4.62 1521 1332 A 5 ILE HG2% A 5 ILE HA 1.0 . 3.36 1522 1333 A 5 ILE HG2% A 79 THR HB 1.0 . 4.57 1523 1334 A 42 PHE HBy A 5 ILE HG2% 1.0 . 3.78 1524 1335 A 6 VAL HB A 5 ILE HG2% 1.0 . 4.80 1525 1336 A 5 ILE HG2% A 5 ILE HG1y 1.0 . 3.79 1526 1337 A 79 THR HG2% A 5 ILE HG2% 1.0 . 3.93 1527 1338 A 36 ALA HB% A 37 ASP HBy 1.0 . 4.92 1528 1339 A 74 ILE HG2% A 68 LEU HA 1.0 . 5.42 1529 1340 A 74 ILE HG2% A 11 LEU HA 1.0 . 4.10 1530 1341 A 41 ALA H A 40 ILE HG2% 1.0 . 4.01 1531 1342 A 7 PHE HE% A 40 ILE HG2% 1.0 . 3.69 1532 1343 A 9 GLY HAy A 40 ILE HG2% 1.0 . 4.02 1533 1344 A 38 LYS HBy A 40 ILE HG2% 1.0 . 4.66 1534 1345 A 10 SER H A 40 ILE HG2% 1.0 . 4.44 1535 1346 A 39 GLY HAy A 40 ILE HG2% 1.0 . 4.84 1536 1347 A 47 ALA HB% A 54 ILE HG2% 1.0 . 3.54 1537 1348 A 54 ILE HG1x A 54 ILE HG2% 1.0 . 3.42 1538 1349 A 54 ILE HG2% A 55 GLN HB2 1.0 . 4.15 1539 1349 A 55 GLN HB3 A 54 ILE HG2% 1.0 . 4.15 1540 1350 A 17 ALA HB% A 16 THR HA 1.0 . 4.29 1541 1351 A 16 THR HB A 17 ALA HB% 1.0 . 4.40 1542 1352 A 61 ALA HB% A 24 PHE HE% 1.0 . 4.14 1543 1353 A 61 ALA HB% A 45 PHE HE% 1.0 . 4.11 1544 1354 A 61 ALA HB% A 24 PHE HBy 1.0 . 5.03 1545 1355 A 61 ALA HB% A 58 MET HA 1.0 . 3.63 1546 1356 A 61 ALA HB% A 62 LEU HG 1.0 . 3.64 1547 1357 A 43 LEU HDx% A 32 ILE HG2% 1.0 . 5.44 1548 1358 A 33 ARG H A 32 ILE HG2% 1.0 . 4.05 1549 1359 A 32 ILE HG2% A 32 ILE H 1.0 . 4.50 1550 1360 A 32 ILE HG2% A 32 ILE HA 1.0 . 3.66 1551 1361 A 32 ILE HG2% A 21 GLN HA 1.0 . 5.50 1552 1362 A 32 ILE HG1x A 32 ILE HG2% 1.0 . 3.78 1553 1363 A 34 LEU HBx A 32 ILE HG2% 1.0 . 4.36 1554 1364 A 32 ILE HG2% A 43 LEU HDy% 1.0 . 4.10 1555 1365 A 58 MET H A 58 MET HE% 1.0 . 4.86 1556 1366 A 4 PHE HD% A 58 MET HE% 1.0 . 3.67 1557 1367 A 55 GLN HE21 A 58 MET HE% 1.0 . 5.50 1558 1368 A 55 GLN HA A 58 MET HE% 1.0 . 3.68 1559 1369 A 58 MET HE% A 4 PHE HB2 1.0 . 3.38 1560 1369 A 4 PHE HB3 A 58 MET HE% 1.0 . 3.38 1561 1370 A 58 MET HGy A 58 MET HE% 1.0 . 3.48 1562 1371 A 58 MET HBy A 58 MET HE% 1.0 . 3.05 1563 1372 A 54 ILE HD1% A 58 MET HE% 1.0 . 3.01 1564 1373 A 5 ILE H A 58 MET HE% 1.0 . 5.13 1565 1374 A 15 ILE H A 15 ILE HD1% 1.0 . 4.70 1566 1375 A 15 ILE HD1% A 11 LEU HA 1.0 . 4.49 1567 1376 A 15 ILE HD1% A 12 PRO HDy 1.0 . 5.26 1568 1377 A 15 ILE HD1% A 70 LYS HE2 1.0 . 4.67 1569 1377 A 70 LYS HE3 A 15 ILE HD1% 1.0 . 4.67 1570 1378 A 15 ILE HD1% A 12 PRO HGy 1.0 . 4.82 1571 1379 A 15 ILE HD1% A 12 PRO HGx 1.0 . 3.26 1572 1380 A 15 ILE HD1% A 34 LEU HG 1.0 . 4.25 1573 1381 A 11 LEU HBx A 15 ILE HD1% 1.0 . 3.37 1574 1382 A 16 THR HB A 16 THR H 1.0 . 4.17 1575 1383 A 16 THR HB A 16 THR HA 1.0 . 3.02 1576 1384 A 68 LEU H A 67 THR HB 1.0 . 3.16 1577 1385 A 74 ILE HD1% A 24 PHE HE% 1.0 . 4.30 1578 1386 A 74 ILE HD1% A 24 PHE HZ 1.0 . 4.01 1579 1387 A 74 ILE HD1% A 74 ILE HA 1.0 . 4.66 1580 1388 A 74 ILE HB A 74 ILE HD1% 1.0 . 3.57 1581 1389 A 76 VAL HGy% A 74 ILE HD1% 1.0 . 3.84 1582 1390 A 74 ILE HD1% A 11 LEU HDx% 1.0 . 3.54 1583 1391 A 47 ALA H A 54 ILE HD1% 1.0 . 4.51 1584 1392 A 54 ILE HD1% A 54 ILE HA 1.0 . 3.84 1585 1393 A 4 PHE HD% A 54 ILE HD1% 1.0 . 3.61 1586 1394 A 54 ILE HD1% A 54 ILE HB 1.0 . 3.87 1587 1395 A 59 ASP HBy A 60 ILE HD1% 1.0 . 4.55 1588 1396 A 60 ILE H A 60 ILE HD1% 1.0 . 4.29 1589 1397 A 27 SER HBx A 60 ILE HD1% 1.0 . 5.50 1590 1398 A 24 PHE HD% A 32 ILE HD1% 1.0 . 5.50 1591 1399 A 32 ILE HD1% A 32 ILE HA 1.0 . 4.98 1592 1400 A 32 ILE HD1% A 24 PHE HBx 1.0 . 5.50 1593 1401 A 32 ILE HD1% A 21 GLN HB2 1.0 . 3.95 1594 1401 A 32 ILE HD1% A 21 GLN HB3 1.0 . 3.95 1595 1402 A 43 LEU HG A 32 ILE HD1% 1.0 . 5.11 1596 1403 A 43 LEU HDx% A 32 ILE HD1% 1.0 . 5.50 1597 1404 A 5 ILE HD1% A 42 PHE HE% 1.0 . 5.50 1598 1405 A 6 VAL H A 5 ILE HD1% 1.0 . 5.50 1599 1406 A 5 ILE HD1% A 5 ILE H 1.0 . 4.62 1600 1407 A 42 PHE HD% A 5 ILE HD1% 1.0 . 5.21 1601 1408 A 42 PHE HBy A 5 ILE HD1% 1.0 . 5.18 1602 1409 A 5 ILE HD1% A 5 ILE HB 1.0 . 3.80 1603 1410 A 5 ILE HG2% A 5 ILE HD1% 1.0 . 3.36 1604 1411 A 65 HIS HBx A 65 HIS HD2 1.0 . 3.55 1605 1412 A 24 PHE HD% A 23 HIS HBx 1.0 . 4.01 1606 1413 A 24 PHE HD% A 61 ALA HB% 1.0 . 3.75 1607 1414 A 43 LEU HDx% A 24 PHE HD% 1.0 . 4.54 1608 1415 A 24 PHE HD% A 20 LEU HDy% 1.0 . 4.28 1609 1416 A 6 VAL HGy% A 45 PHE HD% 1.0 . 4.08 1610 1417 A 24 PHE HD% A 24 PHE HA 1.0 . 3.88 1611 1418 A 64 GLN HBx A 23 HIS HD2 1.0 . 4.23 1612 1419 A 23 HIS HBx A 23 HIS HD2 1.0 . 3.84 1613 1420 A 7 PHE HD% A 7 PHE HA 1.0 . 4.60 1614 1421 A 42 PHE HD% A 5 ILE HG2% 1.0 . 3.48 1615 1422 A 7 PHE HD% A 7 PHE HZ 1.0 . 3.72 1616 1423 A 8 VAL HGx% A 24 PHE HE% 1.0 . 4.20 1617 1424 A 24 PHE HE% A 20 LEU HDy% 1.0 . 4.76 1618 1425 A 40 ILE HG2% A 7 PHE HZ 1.0 . 3.77 1619 1426 A 8 VAL HGy% A 24 PHE HZ 1.0 . 4.80 1620 1427 A 8 VAL HGx% A 24 PHE HZ 1.0 . 4.11 1621 1428 A 6 VAL HGy% A 45 PHE HZ 1.0 . 4.35 1622 1429 A 43 LEU HBy A 45 PHE HZ 1.0 . 4.53 1623 1430 A 27 SER HBy A 45 PHE HZ 1.0 . 4.63 1624 1431 A 61 ALA HB% A 45 PHE HZ 1.0 . 3.74 1625 1432 A 23 HIS HE1 A 69 LEU HA 1.0 . 3.98 1626 1433 A 23 HIS HE1 A 69 LEU HDy% 1.0 . 4.85 1627 1434 A 75 ASN HA A 65 HIS HE1 1.0 . 3.95 1628 1435 A 75 ASN HBx A 65 HIS HE1 1.0 . 3.87 1629 1436 A 76 VAL H A 65 HIS HE1 1.0 . 3.55 1630 1437 A 75 ASN HBy A 65 HIS HE1 1.0 . 3.92 1631 1438 A 23 HIS HBy A 23 HIS HE1 1.0 . 4.81 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 76 VAL N A 65 HIS HE2 1.0 . 5.8 2 2 A 65 HIS HD2 A 76 VAL N 1.0 . 5.8 3 3 A 76 VAL H A 65 HIS ND1 1.0 . 2.0 4 4 A 76 VAL N A 65 HIS ND1 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 2 ASN C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -155.1 -87.4 PHI 2 2 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 PHE N 1.0 103.2 170.4 PSI 3 3 A 3 ARG C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -154.8 -92.2 PHI 4 4 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ILE N 1.0 114.1 164.8 PSI 5 5 A 4 PHE C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -134.2 -92.2 PHI 6 6 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 VAL N 1.0 108.4 148.4 PSI 7 7 A 5 ILE C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -136.9 -96.9 PHI 8 8 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 PHE N 1.0 106.3 146.3 PSI 9 9 A 6 VAL C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -138.9 -82.6 PHI 10 10 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 VAL N 1.0 101.1 141.1 PSI 11 11 A 7 PHE C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -138.4 -98.4 PHI 12 12 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 GLY N 1.0 111.0 151.0 PSI 13 13 A 12 PRO C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -79.8 -39.8 PHI 14 14 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ASP N 1.0 -46.1 1.0 PSI 15 15 A 13 ARG C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -127.8 -61.9 PHI 16 16 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ILE N 1.0 -30.7 43.4 PSI 17 17 A 14 ASP C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -166.8 -45.2 PHI 18 18 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 THR N 1.0 118.6 192.6 PSI 19 19 A 15 ILE C A 16 THR N A 16 THR CA A 16 THR C 1.0 -128.0 -59.7 PHI 20 20 A 16 THR N A 16 THR CA A 16 THR C A 17 ALA N 1.0 147.8 187.8 PSI 21 21 A 16 THR C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -84.0 -44.0 PHI 22 22 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 VAL N 1.0 -56.3 -16.3 PSI 23 23 A 17 ALA C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -85.0 -45.0 PHI 24 24 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 GLU N 1.0 -62.4 -22.4 PSI 25 25 A 18 VAL C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -86.5 -46.5 PHI 26 26 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -60.8 -20.8 PSI 27 27 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -84.8 -44.8 PHI 28 28 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLN N 1.0 -59.3 -19.3 PSI 29 29 A 20 LEU C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -82.1 -42.1 PHI 30 30 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 ASN N 1.0 -63.8 -23.8 PSI 31 31 A 21 GLN C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -86.1 -46.1 PHI 32 32 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 HIS N 1.0 -60.5 -20.5 PSI 33 33 A 22 ASN C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -83.2 -43.2 PHI 34 34 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 PHE N 1.0 -60.6 -20.6 PSI 35 35 A 23 HIS C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -111.9 -41.2 PHI 36 36 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 LYS N 1.0 -66.7 30.1 PSI 37 37 A 24 PHE C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -83.4 -43.4 PHI 38 38 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ASN N 1.0 -56.4 -16.4 PSI 39 39 A 25 LYS C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -86.6 -46.6 PHI 40 40 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 SER N 1.0 -67.5 11.9 PSI 41 41 A 26 ASN C A 27 SER N A 27 SER CA A 27 SER C 1.0 -121.4 -66.4 PHI 42 42 A 27 SER N A 27 SER CA A 27 SER C A 28 SER N 1.0 -69.0 31.7 PSI 43 43 A 29 PRO C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -105.4 -57.2 PHI 44 44 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 GLN N 1.0 -56.2 -16.2 PSI 45 45 A 30 ASP C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -184.0 -116.3 PHI 46 46 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ILE N 1.0 129.4 169.4 PSI 47 47 A 31 GLN C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -155.6 -85.9 PHI 48 48 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 ARG N 1.0 105.3 145.3 PSI 49 49 A 32 ILE C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -141.0 -60.4 PHI 50 50 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 LEU N 1.0 105.0 145.2 PSI 51 51 A 33 ARG C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -135.2 -72.4 PHI 52 52 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ARG N 1.0 101.4 141.4 PSI 53 53 A 34 LEU C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -118.1 -67.1 PHI 54 54 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 ALA N 1.0 56.3 157.6 PSI 55 55 A 35 ARG C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -79.1 -39.1 PHI 56 56 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ASP N 1.0 -54.9 -2.9 PSI 57 57 A 36 ALA C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -91.6 -51.6 PHI 58 58 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 LYS N 1.0 -43.2 9.7 PSI 59 59 A 37 ASP C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -132.4 -68.9 PHI 60 60 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 GLY N 1.0 -35.5 21.5 PSI 61 61 A 39 GLY C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -173.6 -97.6 PHI 62 62 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 ALA N 1.0 113.0 204.4 PSI 63 63 A 40 ILE C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -161.6 -114.1 PHI 64 64 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 PHE N 1.0 120.9 179.8 PSI 65 65 A 41 ALA C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -149.6 -88.6 PHI 66 66 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 LEU N 1.0 105.1 162.3 PSI 67 67 A 42 PHE C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -150.3 -85.3 PHI 68 68 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 GLU N 1.0 96.0 165.3 PSI 69 69 A 43 LEU C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -158.3 -83.7 PHI 70 70 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 PHE N 1.0 111.3 172.2 PSI 71 71 A 44 GLU C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -163.2 -86.7 PHI 72 72 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ASP N 1.0 104.7 167.1 PSI 73 73 A 45 PHE C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -101.2 -61.2 PHI 74 74 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ALA N 1.0 97.7 137.7 PSI 75 75 A 46 ASP C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -79.8 -39.8 PHI 76 76 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ASP N 1.0 -47.7 -5.7 PSI 77 77 A 47 ALA C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -94.7 -54.7 PHI 78 78 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 LYS N 1.0 -52.8 -1.3 PSI 79 79 A 48 ASP C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -116.2 -62.2 PHI 80 80 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ASP N 1.0 -60.6 34.2 PSI 81 81 A 49 LYS C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -187.0 -66.2 PHI 82 82 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 ARG N 1.0 43.1 177.4 PSI 83 83 A 50 ASP C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -78.0 -38.0 PHI 84 84 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 THR N 1.0 -53.6 -13.6 PSI 85 85 A 51 ARG C A 52 THR N A 52 THR CA A 52 THR C 1.0 -121.9 -65.6 PHI 86 86 A 52 THR N A 52 THR CA A 52 THR C A 53 GLY N 1.0 -19.2 20.8 PSI 87 87 A 53 GLY C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -107.5 -39.8 PHI 88 88 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 GLN N 1.0 -62.5 -9.1 PSI 89 89 A 54 ILE C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -81.4 -41.4 PHI 90 90 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 ARG N 1.0 -61.0 -21.0 PSI 91 91 A 55 GLN C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -85.1 -45.1 PHI 92 92 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 ARG N 1.0 -61.7 -21.7 PSI 93 93 A 56 ARG C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -84.2 -44.2 PHI 94 94 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 MET N 1.0 -59.2 -19.2 PSI 95 95 A 57 ARG C A 58 MET N A 58 MET CA A 58 MET C 1.0 -83.2 -43.2 PHI 96 96 A 58 MET N A 58 MET CA A 58 MET C A 59 ASP N 1.0 -60.2 -20.2 PSI 97 97 A 58 MET C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -83.7 -43.7 PHI 98 98 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 ILE N 1.0 -66.7 -26.7 PSI 99 99 A 59 ASP C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -86.6 -46.6 PHI 100 100 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 ALA N 1.0 -63.6 -23.6 PSI 101 101 A 60 ILE C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -83.6 -43.6 PHI 102 102 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 LEU N 1.0 -62.7 -22.7 PSI 103 103 A 61 ALA C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -80.1 -40.1 PHI 104 104 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 LEU N 1.0 -63.1 -23.1 PSI 105 105 A 62 LEU C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -87.2 -47.2 PHI 106 106 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLN N 1.0 -62.3 -2.8 PSI 107 107 A 63 LEU C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -126.6 -86.6 PHI 108 108 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 HIS N 1.0 -52.8 65.6 PSI 109 109 A 64 GLN C A 65 HIS N A 65 HIS CA A 65 HIS C 1.0 -80.9 -40.9 PHI 110 110 A 65 HIS N A 65 HIS CA A 65 HIS C A 66 GLY N 1.0 112.8 152.8 PSI 111 111 A 65 HIS C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 50.6 115.6 PHI 112 112 A 66 GLY N A 66 GLY CA A 66 GLY C A 67 THR N 1.0 -41.3 44.5 PSI 113 113 A 67 THR C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -156.8 -77.1 PHI 114 114 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 LEU N 1.0 108.5 152.4 PSI 115 115 A 68 LEU C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -165.5 -46.4 PHI 116 116 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 LYS N 1.0 77.8 173.7 PSI 117 117 A 70 LYS C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 44.0 89.7 PHI 118 118 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 LYS N 1.0 -15.6 46.4 PSI 119 119 A 71 GLU C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -144.4 -92.2 PHI 120 120 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LYS N 1.0 118.0 158.0 PSI 121 121 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -127.2 -49.9 PHI 122 122 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 ILE N 1.0 98.5 170.1 PSI 123 123 A 73 LYS C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -169.3 -46.0 PHI 124 124 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 ASN N 1.0 121.3 169.1 PSI 125 125 A 74 ILE C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -155.3 -95.0 PHI 126 126 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 VAL N 1.0 107.6 158.6 PSI 127 127 A 75 ASN C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -148.6 -97.3 PHI 128 128 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 GLU N 1.0 108.8 148.8 PSI 129 129 A 76 VAL C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -166.3 -110.0 PHI 130 130 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 LEU N 1.0 130.8 174.7 PSI 131 131 A 77 GLU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -116.7 -58.9 PHI 132 132 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 THR N 1.0 110.4 151.7 PSI 133 133 A 78 LEU C A 79 THR N A 79 THR CA A 79 THR C 1.0 -157.4 -60.3 PHI 134 134 A 79 THR N A 79 THR CA A 79 THR C A 80 VAL N 1.0 83.0 220.4 PSI stop_ save_