data_nef_c34167_5omz save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5OMZ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASP middle . . 3 A 3 LYS middle . . 4 A 4 LEU middle . . 5 A 5 ARG middle . . 6 A 6 LEU middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 VAL middle . . 10 A 10 SER middle . . 11 A 11 TYR middle . . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 CYS middle . . 15 A 15 THR middle . . 16 A 16 ALA middle . . 17 A 17 ALA middle . . 18 A 18 PHE middle . . 19 A 19 THR middle . . 20 A 20 PHE middle . . 21 A 21 THR middle . . 22 A 22 LYS middle . . 23 A 23 ILE middle . . 24 A 24 PRO middle . false 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 THR middle . . 28 A 28 LEU middle . . 29 A 29 HIS middle . . 30 A 30 GLY middle . false 31 A 31 THR middle . . 32 A 32 VAL middle . . 33 A 33 THR middle . . 34 A 34 VAL middle . . 35 A 35 GLU middle . . 36 A 36 VAL middle . . 37 A 37 GLN middle . . 38 A 38 TYR middle . . 39 A 39 ALA middle . . 40 A 40 GLY middle . false 41 A 41 THR middle . . 42 A 42 ASP middle . . 43 A 43 GLY middle . false 44 A 44 PRO middle . true 45 A 45 CYS middle . . 46 A 46 LYS middle . . 47 A 47 VAL middle . . 48 A 48 PRO middle . false 49 A 49 ALA middle . . 50 A 50 GLN middle . . 51 A 51 MET middle . . 52 A 52 ALA middle . . 53 A 53 VAL middle . . 54 A 54 ASP middle . . 55 A 55 MET middle . . 56 A 56 GLN middle . . 57 A 57 THR middle . . 58 A 58 LEU middle . . 59 A 59 THR middle . . 60 A 60 PRO middle . false 61 A 61 VAL middle . . 62 A 62 GLY middle . false 63 A 63 ARG middle . . 64 A 64 LEU middle . . 65 A 65 ILE middle . . 66 A 66 THR middle . . 67 A 67 ALA middle . . 68 A 68 ASN middle . . 69 A 69 PRO middle . false 70 A 70 VAL middle . . 71 A 71 ILE middle . . 72 A 72 THR middle . . 73 A 73 GLU middle . . 74 A 74 SER middle . . 75 A 75 THR middle . . 76 A 76 GLU middle . . 77 A 77 ASN middle . . 78 A 78 SER middle . . 79 A 79 LYS middle . . 80 A 80 MET middle . . 81 A 81 MET middle . . 82 A 82 LEU middle . . 83 A 83 GLU middle . . 84 A 84 LEU middle . . 85 A 85 ASP middle . . 86 A 86 PRO middle . false 87 A 87 PRO middle . false 88 A 88 PHE middle . . 89 A 89 GLY middle . false 90 A 90 ASP middle . . 91 A 91 SER middle . . 92 A 92 TYR middle . . 93 A 93 ILE middle . . 94 A 94 VAL middle . . 95 A 95 ILE middle . . 96 A 96 GLY middle . false 97 A 97 VAL middle . . 98 A 98 GLY middle . false 99 A 99 GLU middle . . 100 A 100 LYS middle . . 101 A 101 LYS middle . . 102 A 102 ILE middle . . 103 A 103 THR middle . . 104 A 104 HIS middle . . 105 A 105 HIS middle . . 106 A 106 TRP middle . . 107 A 107 HIS middle . . 108 A 108 ARG middle . . 109 A 109 SER middle . . 110 A 110 GLY middle . false 111 A 111 SER middle . . 112 A 112 THR middle . . 113 A 113 ILE middle . . 114 A 114 GLY middle . false 115 A 115 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.199 0.020 A 1 MET HBx H 1 1.939 0.020 A 1 MET HBy H 1 2.030 0.020 A 1 MET CA C 13 56.617 0.3 A 1 MET CB C 13 33.108 0.3 A 1 MET CG C 13 31.985 0.3 A 2 ASP H H 1 8.549 0.020 A 2 ASP HA H 1 4.494 0.020 A 2 ASP HB2 H 1 2.653 0.020 A 2 ASP HB3 H 1 2.653 0.020 A 2 ASP C C 13 176.946 0.3 A 2 ASP CA C 13 54.661 0.3 A 2 ASP CB C 13 40.617 0.3 A 2 ASP N N 15 119.236 0.3 A 3 LYS H H 1 8.148 0.020 A 3 LYS HA H 1 4.185 0.020 A 3 LYS HBx H 1 1.747 0.020 A 3 LYS HBy H 1 1.844 0.020 A 3 LYS HD2 H 1 1.629 0.020 A 3 LYS HD3 H 1 1.629 0.020 A 3 LYS HE2 H 1 2.964 0.020 A 3 LYS HE3 H 1 2.964 0.020 A 3 LYS HGx H 1 1.337 0.020 A 3 LYS HGy H 1 1.426 0.020 A 3 LYS C C 13 177.243 0.3 A 3 LYS CA C 13 57.033 0.3 A 3 LYS CB C 13 32.386 0.3 A 3 LYS CD C 13 28.889 0.3 A 3 LYS CE C 13 42.085 0.3 A 3 LYS CG C 13 24.717 0.3 A 3 LYS N N 15 120.107 0.3 A 4 LEU H H 1 7.923 0.020 A 4 LEU HA H 1 4.250 0.020 A 4 LEU HBx H 1 1.557 0.020 A 4 LEU HBy H 1 1.686 0.020 A 4 LEU HDx% H 1 0.828 0.020 A 4 LEU HDy% H 1 0.902 0.020 A 4 LEU HG H 1 1.608 0.020 A 4 LEU C C 13 177.650 0.3 A 4 LEU CA C 13 55.522 0.3 A 4 LEU CB C 13 42.023 0.3 A 4 LEU CD1 C 13 23.199 0.3 A 4 LEU CD2 C 13 24.764 0.3 A 4 LEU CG C 13 26.859 0.3 A 4 LEU N N 15 120.459 0.3 A 5 ARG H H 1 8.004 0.020 A 5 ARG HA H 1 4.252 0.020 A 5 ARG HB2 H 1 1.800 0.020 A 5 ARG HB3 H 1 1.800 0.020 A 5 ARG HD2 H 1 3.169 0.020 A 5 ARG HD3 H 1 3.169 0.020 A 5 ARG HG2 H 1 1.602 0.020 A 5 ARG HG3 H 1 1.602 0.020 A 5 ARG C C 13 176.397 0.3 A 5 ARG CA C 13 56.357 0.3 A 5 ARG CB C 13 30.254 0.3 A 5 ARG CD C 13 43.377 0.3 A 5 ARG CG C 13 27.251 0.3 A 5 ARG N N 15 120.242 0.3 A 6 LEU H H 1 8.001 0.020 A 6 LEU HA H 1 4.303 0.020 A 6 LEU HBx H 1 1.548 0.020 A 6 LEU HBy H 1 1.599 0.020 A 6 LEU HDx% H 1 0.834 0.020 A 6 LEU HDy% H 1 0.901 0.020 A 6 LEU C C 13 177.346 0.3 A 6 LEU CA C 13 55.213 0.3 A 6 LEU CB C 13 42.214 0.3 A 6 LEU CD1 C 13 23.399 0.3 A 6 LEU CD2 C 13 24.940 0.3 A 6 LEU CG C 13 26.997 0.3 A 6 LEU N N 15 121.795 0.3 A 7 LYS H H 1 8.199 0.020 A 7 LYS HA H 1 4.246 0.020 A 7 LYS HBx H 1 1.747 0.020 A 7 LYS HBy H 1 1.805 0.020 A 7 LYS HD2 H 1 1.645 0.020 A 7 LYS HD3 H 1 1.645 0.020 A 7 LYS HE2 H 1 2.965 0.020 A 7 LYS HE3 H 1 2.965 0.020 A 7 LYS HGx H 1 1.365 0.020 A 7 LYS HGy H 1 1.431 0.020 A 7 LYS C C 13 176.966 0.3 A 7 LYS CA C 13 56.461 0.3 A 7 LYS CB C 13 32.861 0.3 A 7 LYS CD C 13 29.010 0.3 A 7 LYS CE C 13 41.939 0.3 A 7 LYS CG C 13 24.530 0.3 A 7 LYS N N 15 121.450 0.3 A 8 GLY H H 1 8.314 0.020 A 8 GLY HA2 H 1 3.860 0.020 A 8 GLY HA3 H 1 3.860 0.020 A 8 GLY C C 13 173.801 0.3 A 8 GLY CA C 13 45.282 0.3 A 8 GLY N N 15 109.770 0.3 A 9 VAL H H 1 7.745 0.020 A 9 VAL HA H 1 4.008 0.020 A 9 VAL HB H 1 1.872 0.020 A 9 VAL HGx% H 1 0.680 0.020 A 9 VAL HGy% H 1 0.762 0.020 A 9 VAL C C 13 175.596 0.3 A 9 VAL CA C 13 61.847 0.3 A 9 VAL CB C 13 32.921 0.3 A 9 VAL CG1 C 13 20.957 0.3 A 9 VAL CG2 C 13 20.322 0.3 A 9 VAL N N 15 118.447 0.3 A 10 SER H H 1 8.119 0.020 A 10 SER HA H 1 4.386 0.020 A 10 SER HB2 H 1 3.671 0.020 A 10 SER HB3 H 1 3.671 0.020 A 10 SER C C 13 173.624 0.3 A 10 SER CA C 13 57.241 0.3 A 10 SER CB C 13 63.845 0.3 A 10 SER N N 15 119.002 0.3 A 11 TYR H H 1 7.943 0.020 A 11 TYR HA H 1 4.713 0.020 A 11 TYR HBx H 1 2.557 0.020 A 11 TYR HBy H 1 3.090 0.020 A 11 TYR HD1 H 1 6.942 0.020 A 11 TYR HD2 H 1 6.942 0.020 A 11 TYR HE1 H 1 6.693 0.020 A 11 TYR HE2 H 1 6.693 0.020 A 11 TYR C C 13 175.997 0.3 A 11 TYR CA C 13 56.991 0.3 A 11 TYR CB C 13 40.294 0.3 A 11 TYR CD1 C 13 132.545 0.3 A 11 TYR CD2 C 13 132.545 0.3 A 11 TYR CE1 C 13 118.175 0.3 A 11 TYR CE2 C 13 118.175 0.3 A 11 TYR N N 15 121.514 0.3 A 12 SER H H 1 8.938 0.020 A 12 SER HA H 1 4.538 0.020 A 12 SER HBx H 1 3.836 0.020 A 12 SER HBy H 1 3.979 0.020 A 12 SER C C 13 174.054 0.3 A 12 SER CA C 13 57.865 0.3 A 12 SER CB C 13 64.105 0.3 A 12 SER N N 15 117.490 0.3 A 13 LEU H H 1 8.445 0.020 A 13 LEU HA H 1 4.619 0.020 A 13 LEU HBx H 1 1.365 0.020 A 13 LEU HBy H 1 1.684 0.020 A 13 LEU HDx% H 1 0.763 0.020 A 13 LEU HDy% H 1 0.897 0.020 A 13 LEU HG H 1 1.789 0.020 A 13 LEU C C 13 178.499 0.3 A 13 LEU CA C 13 55.525 0.3 A 13 LEU CB C 13 42.137 0.3 A 13 LEU CD1 C 13 22.973 0.3 A 13 LEU CD2 C 13 25.293 0.3 A 13 LEU CG C 13 27.087 0.3 A 13 LEU N N 15 121.865 0.3 A 14 CYS H H 1 9.200 0.020 A 14 CYS HA H 1 4.618 0.020 A 14 CYS HBx H 1 2.300 0.020 A 14 CYS HBy H 1 3.483 0.020 A 14 CYS C C 13 176.123 0.3 A 14 CYS CA C 13 55.170 0.3 A 14 CYS CB C 13 39.250 0.3 A 14 CYS N N 15 123.137 0.3 A 15 THR H H 1 8.539 0.020 A 15 THR HA H 1 4.457 0.020 A 15 THR HB H 1 4.328 0.020 A 15 THR HG2% H 1 1.288 0.020 A 15 THR C C 13 175.765 0.3 A 15 THR CA C 13 62.817 0.3 A 15 THR CB C 13 70.795 0.3 A 15 THR CG2 C 13 21.463 0.3 A 15 THR N N 15 113.919 0.3 A 16 ALA H H 1 8.920 0.020 A 16 ALA HA H 1 4.552 0.020 A 16 ALA HB% H 1 1.134 0.020 A 16 ALA C C 13 174.558 0.3 A 16 ALA CA C 13 50.932 0.3 A 16 ALA CB C 13 18.396 0.3 A 16 ALA N N 15 127.491 0.3 A 17 ALA H H 1 7.660 0.020 A 17 ALA HA H 1 4.460 0.020 A 17 ALA HB% H 1 1.323 0.020 A 17 ALA C C 13 176.382 0.3 A 17 ALA CA C 13 52.600 0.3 A 17 ALA CB C 13 20.364 0.3 A 17 ALA N N 15 118.594 0.3 A 18 PHE H H 1 8.977 0.020 A 18 PHE HA H 1 5.458 0.020 A 18 PHE HB2 H 1 2.621 0.020 A 18 PHE HB3 H 1 2.621 0.020 A 18 PHE HD1 H 1 7.145 0.020 A 18 PHE HD2 H 1 7.145 0.020 A 18 PHE C C 13 175.166 0.3 A 18 PHE CA C 13 56.613 0.3 A 18 PHE CB C 13 42.890 0.3 A 18 PHE CD1 C 13 132.290 0.3 A 18 PHE CD2 C 13 132.290 0.3 A 18 PHE N N 15 118.664 0.3 A 19 THR H H 1 8.500 0.020 A 19 THR HA H 1 4.518 0.020 A 19 THR HB H 1 3.963 0.020 A 19 THR HG2% H 1 1.170 0.020 A 19 THR C C 13 174.665 0.3 A 19 THR CA C 13 60.504 0.3 A 19 THR CB C 13 72.269 0.3 A 19 THR CG2 C 13 22.066 0.3 A 19 THR N N 15 109.590 0.3 A 20 PHE H H 1 8.783 0.020 A 20 PHE HA H 1 5.242 0.020 A 20 PHE HBx H 1 3.017 0.020 A 20 PHE HBy H 1 3.239 0.020 A 20 PHE HD1 H 1 7.383 0.020 A 20 PHE HD2 H 1 7.383 0.020 A 20 PHE HE1 H 1 7.066 0.020 A 20 PHE HE2 H 1 7.066 0.020 A 20 PHE HZ H 1 6.784 0.020 A 20 PHE C C 13 177.613 0.3 A 20 PHE CA C 13 57.933 0.3 A 20 PHE CB C 13 39.141 0.3 A 20 PHE CD1 C 13 132.188 0.3 A 20 PHE CD2 C 13 132.188 0.3 A 20 PHE CE1 C 13 130.965 0.3 A 20 PHE CE2 C 13 130.965 0.3 A 20 PHE CZ C 13 128.447 0.3 A 20 PHE N N 15 121.162 0.3 A 21 THR H H 1 8.744 0.020 A 21 THR HA H 1 4.332 0.020 A 21 THR HB H 1 4.226 0.020 A 21 THR HG2% H 1 1.044 0.020 A 21 THR C C 13 175.478 0.3 A 21 THR CA C 13 62.755 0.3 A 21 THR CB C 13 67.381 0.3 A 21 THR CG2 C 13 24.479 0.3 A 21 THR N N 15 114.903 0.3 A 22 LYS H H 1 7.601 0.020 A 22 LYS C C 13 175.611 0.3 A 22 LYS CA C 13 55.369 0.3 A 22 LYS CB C 13 35.558 0.3 A 22 LYS N N 15 119.545 0.3 A 23 ILE H H 1 8.160 0.020 A 23 ILE HA H 1 3.927 0.020 A 23 ILE HB H 1 1.770 0.020 A 23 ILE HD1% H 1 0.916 0.020 A 23 ILE HG1x H 1 1.275 0.020 A 23 ILE HG1y H 1 1.479 0.020 A 23 ILE HG2% H 1 1.030 0.020 A 23 ILE CA C 13 59.731 0.3 A 23 ILE CB C 13 37.674 0.3 A 23 ILE CD1 C 13 12.867 0.3 A 23 ILE CG1 C 13 27.048 0.3 A 23 ILE CG2 C 13 17.031 0.3 A 23 ILE N N 15 121.425 0.3 A 24 PRO HA H 1 4.343 0.020 A 24 PRO HBx H 1 1.351 0.020 A 24 PRO HBy H 1 1.413 0.020 A 24 PRO HDx H 1 2.559 0.020 A 24 PRO HDy H 1 2.882 0.020 A 24 PRO HGx H 1 0.922 0.020 A 24 PRO HGy H 1 1.008 0.020 A 24 PRO CA C 13 63.488 0.3 A 24 PRO CB C 13 31.633 0.3 A 24 PRO CD C 13 49.977 0.3 A 24 PRO CG C 13 27.183 0.3 A 25 ALA H H 1 7.992 0.020 A 25 ALA HA H 1 4.857 0.020 A 25 ALA HB% H 1 1.310 0.020 A 25 ALA C C 13 175.086 0.3 A 25 ALA CA C 13 50.631 0.3 A 25 ALA CB C 13 22.311 0.3 A 25 ALA N N 15 123.780 0.3 A 26 GLU H H 1 8.970 0.020 A 26 GLU HA H 1 5.009 0.020 A 26 GLU HB2 H 1 2.257 0.020 A 26 GLU HB3 H 1 2.257 0.020 A 26 GLU HGx H 1 2.488 0.020 A 26 GLU HGy H 1 2.998 0.020 A 26 GLU C C 13 177.834 0.3 A 26 GLU CA C 13 55.789 0.3 A 26 GLU CB C 13 32.074 0.3 A 26 GLU CG C 13 37.402 0.3 A 26 GLU N N 15 123.463 0.3 A 27 THR H H 1 8.923 0.020 A 27 THR HA H 1 4.540 0.020 A 27 THR HB H 1 4.473 0.020 A 27 THR HG2% H 1 1.050 0.020 A 27 THR C C 13 176.901 0.3 A 27 THR CA C 13 60.517 0.3 A 27 THR CB C 13 71.912 0.3 A 27 THR CG2 C 13 21.088 0.3 A 27 THR N N 15 117.511 0.3 A 28 LEU H H 1 8.626 0.020 A 28 LEU HA H 1 4.155 0.020 A 28 LEU HBx H 1 1.455 0.020 A 28 LEU HBy H 1 1.582 0.020 A 28 LEU HDx% H 1 0.834 0.020 A 28 LEU HDy% H 1 0.891 0.020 A 28 LEU HG H 1 1.772 0.020 A 28 LEU C C 13 177.510 0.3 A 28 LEU CA C 13 57.314 0.3 A 28 LEU CB C 13 41.649 0.3 A 28 LEU CD1 C 13 23.294 0.3 A 28 LEU CD2 C 13 24.654 0.3 A 28 LEU CG C 13 26.937 0.3 A 28 LEU N N 15 120.037 0.3 A 29 HIS H H 1 7.622 0.020 A 29 HIS HA H 1 4.827 0.020 A 29 HIS HBx H 1 3.033 0.020 A 29 HIS HBy H 1 3.265 0.020 A 29 HIS HD2 H 1 7.078 0.020 A 29 HIS HE1 H 1 7.910 0.020 A 29 HIS C C 13 175.403 0.3 A 29 HIS CA C 13 55.057 0.3 A 29 HIS CB C 13 29.630 0.3 A 29 HIS CD2 C 13 119.544 0.3 A 29 HIS CE1 C 13 139.141 0.3 A 29 HIS N N 15 112.668 0.3 A 30 GLY H H 1 7.865 0.020 A 30 GLY HAy H 1 4.256 0.020 A 30 GLY HAx H 1 3.743 0.020 A 30 GLY C C 13 173.905 0.3 A 30 GLY CA C 13 46.086 0.3 A 30 GLY N N 15 108.293 0.3 A 31 THR H H 1 6.673 0.020 A 31 THR HA H 1 4.542 0.020 A 31 THR HB H 1 3.950 0.020 A 31 THR HG2% H 1 1.040 0.020 A 31 THR C C 13 171.873 0.3 A 31 THR CA C 13 60.257 0.3 A 31 THR CB C 13 69.852 0.3 A 31 THR CG2 C 13 21.617 0.3 A 31 THR N N 15 106.606 0.3 A 32 VAL H H 1 8.830 0.020 A 32 VAL HA H 1 4.848 0.020 A 32 VAL HB H 1 0.962 0.020 A 32 VAL HGx% H 1 -0.073 0.020 A 32 VAL HGy% H 1 -0.375 0.020 A 32 VAL C C 13 174.588 0.3 A 32 VAL CA C 13 59.343 0.3 A 32 VAL CB C 13 35.031 0.3 A 32 VAL CG1 C 13 20.392 0.3 A 32 VAL CG2 C 13 21.711 0.3 A 32 VAL N N 15 116.118 0.3 A 33 THR H H 1 8.847 0.020 A 33 THR HA H 1 5.250 0.020 A 33 THR HB H 1 3.975 0.020 A 33 THR HG2% H 1 0.976 0.020 A 33 THR C C 13 174.054 0.3 A 33 THR CA C 13 58.987 0.3 A 33 THR CB C 13 70.605 0.3 A 33 THR CG2 C 13 21.177 0.3 A 33 THR N N 15 117.845 0.3 A 34 VAL H H 1 8.714 0.020 A 34 VAL HA H 1 4.389 0.020 A 34 VAL HB H 1 1.814 0.020 A 34 VAL HG1% H 1 0.712 0.020 A 34 VAL HG2% H 1 0.712 0.020 A 34 VAL C C 13 172.467 0.3 A 34 VAL CA C 13 59.297 0.3 A 34 VAL CB C 13 35.194 0.3 A 34 VAL CG1 C 13 21.558 0.3 A 34 VAL N N 15 120.670 0.3 A 35 GLU H H 1 8.565 0.020 A 35 GLU HA H 1 5.272 0.020 A 35 GLU HBx H 1 1.698 0.020 A 35 GLU HBy H 1 2.096 0.020 A 35 GLU HGy H 1 2.057 0.020 A 35 GLU HGx H 1 1.979 0.020 A 35 GLU C C 13 175.534 0.3 A 35 GLU CA C 13 55.276 0.3 A 35 GLU CB C 13 33.395 0.3 A 35 GLU CG C 13 37.943 0.3 A 35 GLU N N 15 126.314 0.3 A 36 VAL H H 1 8.734 0.020 A 36 VAL HA H 1 5.681 0.020 A 36 VAL HB H 1 2.214 0.020 A 36 VAL HGx% H 1 0.778 0.020 A 36 VAL HGy% H 1 0.735 0.020 A 36 VAL C C 13 173.757 0.3 A 36 VAL CA C 13 57.691 0.3 A 36 VAL CB C 13 36.075 0.3 A 36 VAL CG1 C 13 18.142 0.3 A 36 VAL CG2 C 13 22.602 0.3 A 36 VAL N N 15 117.154 0.3 A 37 GLN H H 1 9.093 0.020 A 37 GLN HA H 1 5.305 0.020 A 37 GLN HBx H 1 1.753 0.020 A 37 GLN HBy H 1 1.841 0.020 A 37 GLN HE21 H 1 6.722 0.020 A 37 GLN HE22 H 1 7.178 0.020 A 37 GLN C C 13 174.721 0.3 A 37 GLN CA C 13 53.580 0.3 A 37 GLN CB C 13 32.802 0.3 A 37 GLN CG C 13 34.161 0.3 A 37 GLN N N 15 119.712 0.3 A 37 GLN NE2 N 15 110.827 0.3 A 38 TYR H H 1 9.120 0.020 A 38 TYR HA H 1 4.636 0.020 A 38 TYR HBx H 1 2.487 0.020 A 38 TYR HBy H 1 2.826 0.020 A 38 TYR HD1 H 1 7.029 0.020 A 38 TYR HD2 H 1 7.029 0.020 A 38 TYR C C 13 175.359 0.3 A 38 TYR CA C 13 55.293 0.3 A 38 TYR CB C 13 40.842 0.3 A 38 TYR CD1 C 13 130.779 0.3 A 38 TYR CD2 C 13 130.779 0.3 A 38 TYR N N 15 126.397 0.3 A 39 ALA H H 1 8.070 0.020 A 39 ALA HA H 1 4.180 0.020 A 39 ALA HB% H 1 1.228 0.020 A 39 ALA C C 13 177.372 0.3 A 39 ALA CA C 13 52.509 0.3 A 39 ALA CB C 13 19.780 0.3 A 39 ALA N N 15 128.757 0.3 A 40 GLY HAx H 1 2.976 0.020 A 40 GLY HAy H 1 3.880 0.020 A 40 GLY CA C 13 45.362 0.3 A 41 THR H H 1 8.077 0.020 A 41 THR HA H 1 4.672 0.020 A 41 THR HB H 1 4.475 0.020 A 41 THR HG2% H 1 1.005 0.020 A 41 THR C C 13 174.187 0.3 A 41 THR CA C 13 60.521 0.3 A 41 THR CB C 13 69.412 0.3 A 41 THR CG2 C 13 23.012 0.3 A 41 THR N N 15 105.863 0.3 A 42 ASP H H 1 9.310 0.020 A 42 ASP HA H 1 4.525 0.020 A 42 ASP HBx H 1 2.512 0.020 A 42 ASP HBy H 1 2.929 0.020 A 42 ASP C C 13 175.522 0.3 A 42 ASP CA C 13 52.835 0.3 A 42 ASP CB C 13 38.566 0.3 A 42 ASP N N 15 118.879 0.3 A 43 GLY H H 1 8.578 0.020 A 43 GLY HAx H 1 3.401 0.020 A 43 GLY HAy H 1 3.560 0.020 A 43 GLY C C 13 171.666 0.3 A 43 GLY CA C 13 44.468 0.3 A 43 GLY N N 15 108.120 0.3 A 44 PRO HA H 1 4.939 0.020 A 44 PRO HBx H 1 1.813 0.020 A 44 PRO HBy H 1 1.944 0.020 A 44 PRO HDx H 1 3.352 0.020 A 44 PRO HDy H 1 3.496 0.020 A 44 PRO HG2 H 1 1.759 0.020 A 44 PRO HG3 H 1 1.759 0.020 A 44 PRO CA C 13 60.944 0.3 A 44 PRO CB C 13 34.252 0.3 A 44 PRO CD C 13 50.413 0.3 A 44 PRO CG C 13 25.417 0.3 A 45 CYS H H 1 8.382 0.020 A 45 CYS HA H 1 4.959 0.020 A 45 CYS HB2 H 1 3.005 0.020 A 45 CYS HB3 H 1 3.005 0.020 A 45 CYS C C 13 171.161 0.3 A 45 CYS CA C 13 53.913 0.3 A 45 CYS CB C 13 44.086 0.3 A 45 CYS N N 15 116.732 0.3 A 46 LYS H H 1 8.988 0.020 A 46 LYS HA H 1 4.482 0.020 A 46 LYS HBx H 1 1.485 0.020 A 46 LYS HBy H 1 1.618 0.020 A 46 LYS HE2 H 1 2.882 0.020 A 46 LYS HE3 H 1 2.882 0.020 A 46 LYS C C 13 174.588 0.3 A 46 LYS CA C 13 55.582 0.3 A 46 LYS CB C 13 34.102 0.3 A 46 LYS CD C 13 29.136 0.3 A 46 LYS CE C 13 42.000 0.3 A 46 LYS CG C 13 24.824 0.3 A 46 LYS N N 15 121.021 0.3 A 47 VAL H H 1 8.578 0.020 A 47 VAL HA H 1 3.599 0.020 A 47 VAL HB H 1 1.769 0.020 A 47 VAL HGx% H 1 0.853 0.020 A 47 VAL HGy% H 1 0.206 0.020 A 47 VAL C C 13 172.892 0.3 A 47 VAL CA C 13 61.359 0.3 A 47 VAL CB C 13 32.906 0.3 A 47 VAL CG1 C 13 22.385 0.3 A 47 VAL CG2 C 13 19.780 0.3 A 47 VAL N N 15 129.351 0.3 A 48 PRO HA H 1 4.546 0.020 A 48 PRO HBx H 1 1.791 0.020 A 48 PRO HBy H 1 2.139 0.020 A 48 PRO HD2 H 1 3.298 0.020 A 48 PRO HD3 H 1 3.298 0.020 A 48 PRO CA C 13 60.953 0.3 A 48 PRO CB C 13 29.601 0.3 A 48 PRO CD C 13 51.222 0.3 A 48 PRO CG C 13 28.406 0.3 A 49 ALA H H 1 7.685 0.020 A 49 ALA HA H 1 5.076 0.020 A 49 ALA HB% H 1 0.986 0.020 A 49 ALA C C 13 174.287 0.3 A 49 ALA CA C 13 51.097 0.3 A 49 ALA CB C 13 22.825 0.3 A 49 ALA N N 15 128.073 0.3 A 50 GLN H H 1 8.588 0.020 A 50 GLN HA H 1 4.615 0.020 A 50 GLN HBx H 1 1.637 0.020 A 50 GLN HBy H 1 2.253 0.020 A 50 GLN HE21 H 1 6.639 0.020 A 50 GLN HE22 H 1 7.066 0.020 A 50 GLN C C 13 173.150 0.3 A 50 GLN CA C 13 54.851 0.3 A 50 GLN CB C 13 33.461 0.3 A 50 GLN CG C 13 34.149 0.3 A 50 GLN N N 15 115.279 0.3 A 50 GLN NE2 N 15 108.035 0.3 A 51 MET H H 1 8.874 0.020 A 51 MET HA H 1 5.780 0.020 A 51 MET HBy H 1 2.370 0.020 A 51 MET HBx H 1 2.247 0.020 A 51 MET HG2 H 1 1.720 0.020 A 51 MET HG3 H 1 1.720 0.020 A 51 MET C C 13 176.976 0.3 A 51 MET CA C 13 53.621 0.3 A 51 MET CB C 13 33.554 0.3 A 51 MET CG C 13 33.778 0.3 A 51 MET N N 15 116.093 0.3 A 52 ALA H H 1 9.285 0.020 A 52 ALA HA H 1 4.927 0.020 A 52 ALA HB% H 1 1.189 0.020 A 52 ALA C C 13 176.058 0.3 A 52 ALA CA C 13 51.429 0.3 A 52 ALA CB C 13 23.853 0.3 A 52 ALA N N 15 122.621 0.3 A 53 VAL H H 1 9.222 0.020 A 53 VAL HA H 1 4.335 0.020 A 53 VAL HB H 1 2.149 0.020 A 53 VAL HGx% H 1 1.036 0.020 A 53 VAL HGy% H 1 1.065 0.020 A 53 VAL C C 13 174.840 0.3 A 53 VAL CA C 13 63.589 0.3 A 53 VAL CB C 13 33.212 0.3 A 53 VAL CG1 C 13 21.064 0.3 A 53 VAL CG2 C 13 21.697 0.3 A 53 VAL N N 15 116.732 0.3 A 54 ASP H H 1 7.966 0.020 A 54 ASP HA H 1 4.748 0.020 A 54 ASP HBx H 1 2.596 0.020 A 54 ASP HBy H 1 3.107 0.020 A 54 ASP C C 13 176.086 0.3 A 54 ASP CA C 13 52.988 0.3 A 54 ASP CB C 13 42.890 0.3 A 54 ASP N N 15 119.251 0.3 A 55 MET H H 1 8.541 0.020 A 55 MET HA H 1 4.335 0.020 A 55 MET HBx H 1 1.705 0.020 A 55 MET HBy H 1 1.896 0.020 A 55 MET C C 13 176.664 0.3 A 55 MET CA C 13 54.548 0.3 A 55 MET CB C 13 30.306 0.3 A 55 MET CG C 13 31.235 0.3 A 55 MET N N 15 120.443 0.3 A 56 GLN H H 1 8.635 0.020 A 56 GLN HA H 1 4.271 0.020 A 56 GLN HB2 H 1 2.139 0.020 A 56 GLN HB3 H 1 2.139 0.020 A 56 GLN HE21 H 1 6.773 0.020 A 56 GLN HE22 H 1 7.507 0.020 A 56 GLN HG2 H 1 2.311 0.020 A 56 GLN HG3 H 1 2.311 0.020 A 56 GLN C C 13 177.421 0.3 A 56 GLN CA C 13 57.813 0.3 A 56 GLN CB C 13 28.996 0.3 A 56 GLN CG C 13 34.324 0.3 A 56 GLN N N 15 118.035 0.3 A 56 GLN NE2 N 15 111.939 0.3 A 57 THR H H 1 8.102 0.020 A 57 THR HA H 1 4.176 0.020 A 57 THR HB H 1 4.163 0.020 A 57 THR HG2% H 1 1.224 0.020 A 57 THR C C 13 175.626 0.3 A 57 THR CA C 13 62.518 0.3 A 57 THR CB C 13 69.461 0.3 A 57 THR CG2 C 13 21.687 0.3 A 57 THR N N 15 109.680 0.3 A 58 LEU H H 1 8.171 0.020 A 58 LEU HA H 1 3.762 0.020 A 58 LEU HB2 H 1 1.721 0.020 A 58 LEU HB3 H 1 1.721 0.020 A 58 LEU HDx% H 1 0.675 0.020 A 58 LEU HDy% H 1 0.758 0.020 A 58 LEU HG H 1 1.376 0.020 A 58 LEU C C 13 176.649 0.3 A 58 LEU CA C 13 55.613 0.3 A 58 LEU CB C 13 39.637 0.3 A 58 LEU CD1 C 13 23.875 0.3 A 58 LEU CD2 C 13 25.612 0.3 A 58 LEU CG C 13 26.850 0.3 A 58 LEU N N 15 118.328 0.3 A 59 THR H H 1 7.641 0.020 A 59 THR C C 13 173.238 0.3 A 59 THR CA C 13 62.285 0.3 A 59 THR CB C 13 69.773 0.3 A 59 THR N N 15 118.714 0.3 A 60 PRO HA H 1 4.834 0.020 A 60 PRO HBx H 1 1.985 0.020 A 60 PRO HBy H 1 2.336 0.020 A 60 PRO HDx H 1 3.742 0.020 A 60 PRO HDy H 1 4.171 0.020 A 60 PRO HG2 H 1 2.168 0.020 A 60 PRO HG3 H 1 2.168 0.020 A 60 PRO CA C 13 63.776 0.3 A 60 PRO CB C 13 32.216 0.3 A 60 PRO CD C 13 51.522 0.3 A 60 PRO CG C 13 27.835 0.3 A 61 VAL H H 1 7.601 0.020 A 61 VAL HA H 1 4.611 0.020 A 61 VAL HB H 1 2.116 0.020 A 61 VAL HGx% H 1 0.932 0.020 A 61 VAL HGy% H 1 0.679 0.020 A 61 VAL C C 13 175.664 0.3 A 61 VAL CA C 13 59.431 0.3 A 61 VAL CB C 13 35.426 0.3 A 61 VAL CG1 C 13 21.609 0.3 A 61 VAL CG2 C 13 19.133 0.3 A 61 VAL N N 15 115.818 0.3 A 62 GLY H H 1 8.539 0.020 A 62 GLY HA3 H 1 3.981 0.020 A 62 GLY C C 13 173.001 0.3 A 62 GLY CA C 13 45.300 0.3 A 62 GLY N N 15 107.028 0.3 A 63 ARG H H 1 7.779 0.020 A 63 ARG C C 13 174.433 0.3 A 63 ARG CA C 13 55.109 0.3 A 63 ARG CB C 13 33.894 0.3 A 63 ARG N N 15 115.928 0.3 A 64 LEU H H 1 8.843 0.020 A 64 LEU CA C 13 55.163 0.3 A 64 LEU CB C 13 42.067 0.3 A 64 LEU N N 15 125.061 0.3 A 65 ILE H H 1 8.536 0.020 A 65 ILE HA H 1 3.843 0.020 A 65 ILE HB H 1 1.520 0.020 A 65 ILE HD1% H 1 0.661 0.020 A 65 ILE HG1x H 1 1.024 0.020 A 65 ILE HG1y H 1 1.252 0.020 A 65 ILE HG2% H 1 0.769 0.020 A 65 ILE C C 13 177.219 0.3 A 65 ILE CA C 13 62.211 0.3 A 65 ILE CB C 13 37.062 0.3 A 65 ILE CD1 C 13 11.914 0.3 A 65 ILE CG1 C 13 28.027 0.3 A 65 ILE CG2 C 13 16.916 0.3 A 65 ILE N N 15 126.849 0.3 A 66 THR H H 1 7.161 0.020 A 66 THR HA H 1 3.935 0.020 A 66 THR HB H 1 3.746 0.020 A 66 THR HG2% H 1 1.229 0.020 A 66 THR C C 13 173.779 0.3 A 66 THR CA C 13 63.377 0.3 A 66 THR CB C 13 70.355 0.3 A 66 THR CG2 C 13 21.584 0.3 A 66 THR N N 15 114.974 0.3 A 67 ALA H H 1 8.233 0.020 A 67 ALA HA H 1 4.063 0.020 A 67 ALA HB% H 1 1.376 0.020 A 67 ALA C C 13 177.508 0.3 A 67 ALA CA C 13 53.475 0.3 A 67 ALA CB C 13 19.163 0.3 A 67 ALA N N 15 129.319 0.3 A 68 ASN H H 1 8.558 0.020 A 68 ASN HD21 H 1 6.677 0.020 A 68 ASN HD22 H 1 7.577 0.020 A 68 ASN C C 13 171.740 0.3 A 68 ASN CA C 13 51.834 0.3 A 68 ASN CB C 13 39.010 0.3 A 68 ASN N N 15 114.622 0.3 A 68 ASN ND2 N 15 112.190 0.3 A 69 PRO HA H 1 4.443 0.020 A 69 PRO HBx H 1 1.616 0.020 A 69 PRO HBy H 1 1.948 0.020 A 69 PRO HDx H 1 3.445 0.020 A 69 PRO HDy H 1 3.592 0.020 A 69 PRO HGx H 1 1.835 0.020 A 69 PRO HGy H 1 2.295 0.020 A 69 PRO CA C 13 62.648 0.3 A 69 PRO CB C 13 30.497 0.3 A 69 PRO CD C 13 49.283 0.3 A 69 PRO CG C 13 27.514 0.3 A 70 VAL H H 1 7.960 0.020 A 70 VAL HA H 1 4.659 0.020 A 70 VAL HB H 1 1.678 0.020 A 70 VAL HGx% H 1 0.600 0.020 A 70 VAL HGy% H 1 0.335 0.020 A 70 VAL C C 13 175.518 0.3 A 70 VAL CA C 13 60.308 0.3 A 70 VAL CB C 13 36.078 0.3 A 70 VAL CG1 C 13 20.810 0.3 A 70 VAL CG2 C 13 20.808 0.3 A 70 VAL N N 15 123.923 0.3 A 71 ILE H H 1 8.479 0.020 A 71 ILE HA H 1 4.208 0.020 A 71 ILE HB H 1 2.027 0.020 A 71 ILE HD1% H 1 0.604 0.020 A 71 ILE HG12 H 1 1.263 0.020 A 71 ILE HG13 H 1 1.263 0.020 A 71 ILE HG2% H 1 1.029 0.020 A 71 ILE C C 13 176.381 0.3 A 71 ILE CA C 13 58.562 0.3 A 71 ILE CB C 13 37.158 0.3 A 71 ILE CD1 C 13 10.726 0.3 A 71 ILE CG1 C 13 26.409 0.3 A 71 ILE CG2 C 13 16.807 0.3 A 71 ILE N N 15 126.633 0.3 A 72 THR H H 1 8.353 0.020 A 72 THR HA H 1 4.068 0.020 A 72 THR HB H 1 4.294 0.020 A 72 THR HG2% H 1 1.153 0.020 A 72 THR C C 13 174.677 0.3 A 72 THR CA C 13 62.515 0.3 A 72 THR CB C 13 69.357 0.3 A 72 THR CG2 C 13 21.581 0.3 A 72 THR N N 15 116.150 0.3 A 73 GLU H H 1 7.640 0.020 A 73 GLU HA H 1 4.407 0.020 A 73 GLU HBx H 1 1.971 0.020 A 73 GLU HBy H 1 2.157 0.020 A 73 GLU HG2 H 1 2.316 0.020 A 73 GLU HG3 H 1 2.316 0.020 A 73 GLU C C 13 175.834 0.3 A 73 GLU CA C 13 55.837 0.3 A 73 GLU CB C 13 31.640 0.3 A 73 GLU CG C 13 36.275 0.3 A 73 GLU N N 15 119.685 0.3 A 74 SER H H 1 8.538 0.020 A 74 SER HA H 1 4.407 0.020 A 74 SER HB2 H 1 3.896 0.020 A 74 SER HB3 H 1 3.896 0.020 A 74 SER C C 13 173.782 0.3 A 74 SER CA C 13 57.969 0.3 A 74 SER CB C 13 63.637 0.3 A 74 SER N N 15 114.391 0.3 A 75 THR H H 1 7.103 0.020 A 75 THR HA H 1 4.223 0.020 A 75 THR HB H 1 4.152 0.020 A 75 THR HG2% H 1 1.220 0.020 A 75 THR C C 13 173.852 0.3 A 75 THR CA C 13 60.395 0.3 A 75 THR CB C 13 70.042 0.3 A 75 THR CG2 C 13 21.799 0.3 A 75 THR N N 15 111.993 0.3 A 76 GLU H H 1 8.804 0.020 A 76 GLU HA H 1 3.992 0.020 A 76 GLU HB2 H 1 1.773 0.020 A 76 GLU HB3 H 1 1.773 0.020 A 76 GLU HGx H 1 2.059 0.020 A 76 GLU HGy H 1 2.118 0.020 A 76 GLU C C 13 176.026 0.3 A 76 GLU CA C 13 56.841 0.3 A 76 GLU CB C 13 30.329 0.3 A 76 GLU CG C 13 35.382 0.3 A 76 GLU N N 15 122.105 0.3 A 77 ASN H H 1 8.075 0.020 A 77 ASN HA H 1 4.332 0.020 A 77 ASN HBx H 1 2.826 0.020 A 77 ASN HBy H 1 2.950 0.020 A 77 ASN HD21 H 1 6.691 0.020 A 77 ASN HD22 H 1 7.446 0.020 A 77 ASN C C 13 175.034 0.3 A 77 ASN CA C 13 54.641 0.3 A 77 ASN CB C 13 36.026 0.3 A 77 ASN N N 15 116.338 0.3 A 77 ASN ND2 N 15 112.057 0.3 A 78 SER H H 1 8.707 0.020 A 78 SER HA H 1 4.330 0.020 A 78 SER HB2 H 1 3.989 0.020 A 78 SER HB3 H 1 3.989 0.020 A 78 SER C C 13 173.202 0.3 A 78 SER CA C 13 59.893 0.3 A 78 SER CB C 13 64.157 0.3 A 78 SER N N 15 115.903 0.3 A 79 LYS H H 1 8.304 0.020 A 79 LYS HA H 1 5.620 0.020 A 79 LYS HB2 H 1 1.656 0.020 A 79 LYS HB3 H 1 1.656 0.020 A 79 LYS HDx H 1 1.475 0.020 A 79 LYS HDy H 1 1.572 0.020 A 79 LYS HE2 H 1 2.929 0.020 A 79 LYS HE3 H 1 2.929 0.020 A 79 LYS HG2 H 1 1.280 0.020 A 79 LYS HG3 H 1 1.280 0.020 A 79 LYS C C 13 176.605 0.3 A 79 LYS CA C 13 54.934 0.3 A 79 LYS CB C 13 36.496 0.3 A 79 LYS CD C 13 29.385 0.3 A 79 LYS CE C 13 41.877 0.3 A 79 LYS CG C 13 25.039 0.3 A 79 LYS N N 15 119.870 0.3 A 80 MET H H 1 8.815 0.020 A 80 MET HA H 1 4.716 0.020 A 80 MET HBx H 1 1.857 0.020 A 80 MET HBy H 1 2.044 0.020 A 80 MET C C 13 172.897 0.3 A 80 MET CA C 13 54.777 0.3 A 80 MET CB C 13 35.020 0.3 A 80 MET CG C 13 30.780 0.3 A 80 MET N N 15 118.174 0.3 A 81 MET H H 1 8.343 0.020 A 81 MET HA H 1 5.328 0.020 A 81 MET HB2 H 1 1.974 0.020 A 81 MET HB3 H 1 1.974 0.020 A 81 MET HGx H 1 2.441 0.020 A 81 MET HGy H 1 2.507 0.020 A 81 MET C C 13 175.130 0.3 A 81 MET CA C 13 54.047 0.3 A 81 MET CB C 13 34.025 0.3 A 81 MET CG C 13 31.969 0.3 A 81 MET N N 15 123.041 0.3 A 82 LEU H H 1 8.968 0.020 A 82 LEU HA H 1 4.853 0.020 A 82 LEU HBx H 1 1.075 0.020 A 82 LEU HBy H 1 1.391 0.020 A 82 LEU HD1% H 1 0.685 0.020 A 82 LEU HD2% H 1 0.685 0.020 A 82 LEU HG H 1 0.671 0.020 A 82 LEU C C 13 174.469 0.3 A 82 LEU CA C 13 53.093 0.3 A 82 LEU CB C 13 46.058 0.3 A 82 LEU CD1 C 13 24.846 0.3 A 82 LEU CG C 13 26.377 0.3 A 82 LEU N N 15 122.731 0.3 A 83 GLU H H 1 8.329 0.020 A 83 GLU HA H 1 5.326 0.020 A 83 GLU HB2 H 1 1.692 0.020 A 83 GLU HB3 H 1 1.692 0.020 A 83 GLU HGx H 1 1.820 0.020 A 83 GLU HGy H 1 2.003 0.020 A 83 GLU C C 13 175.047 0.3 A 83 GLU CA C 13 54.329 0.3 A 83 GLU CB C 13 32.334 0.3 A 83 GLU CG C 13 35.979 0.3 A 83 GLU N N 15 121.002 0.3 A 84 LEU H H 1 9.248 0.020 A 84 LEU HA H 1 4.783 0.020 A 84 LEU HBx H 1 1.237 0.020 A 84 LEU HBy H 1 1.538 0.020 A 84 LEU HDx% H 1 0.592 0.020 A 84 LEU HDy% H 1 0.534 0.020 A 84 LEU HG H 1 1.413 0.020 A 84 LEU C C 13 173.327 0.3 A 84 LEU CA C 13 54.901 0.3 A 84 LEU CB C 13 44.670 0.3 A 84 LEU CD1 C 13 25.799 0.3 A 84 LEU CD2 C 13 26.471 0.3 A 84 LEU CG C 13 28.265 0.3 A 84 LEU N N 15 126.263 0.3 A 85 ASP H H 1 9.127 0.020 A 85 ASP HA H 1 5.181 0.020 A 85 ASP HBx H 1 2.091 0.020 A 85 ASP HBy H 1 3.011 0.020 A 85 ASP CA C 13 50.104 0.3 A 85 ASP CB C 13 42.251 0.3 A 85 ASP N N 15 121.833 0.3 A 86 PRO HA H 1 4.685 0.020 A 86 PRO HB2 H 1 2.127 0.020 A 86 PRO HB3 H 1 2.127 0.020 A 86 PRO HDx H 1 3.822 0.020 A 86 PRO HDy H 1 4.020 0.020 A 86 PRO HGx H 1 1.503 0.020 A 86 PRO HGy H 1 1.788 0.020 A 86 PRO CA C 13 61.461 0.3 A 86 PRO CB C 13 31.525 0.3 A 86 PRO CD C 13 50.793 0.3 A 86 PRO CG C 13 27.010 0.3 A 87 PRO HA H 1 4.417 0.020 A 87 PRO HB2 H 1 2.070 0.020 A 87 PRO HB3 H 1 2.070 0.020 A 87 PRO HDx H 1 3.068 0.020 A 87 PRO HDy H 1 3.579 0.020 A 87 PRO HGx H 1 1.701 0.020 A 87 PRO HGy H 1 1.752 0.020 A 87 PRO CA C 13 61.766 0.3 A 87 PRO CB C 13 32.086 0.3 A 87 PRO CD C 13 49.401 0.3 A 87 PRO CG C 13 27.193 0.3 A 88 PHE H H 1 8.250 0.020 A 88 PHE HA H 1 3.974 0.020 A 88 PHE HBx H 1 2.814 0.020 A 88 PHE HBy H 1 3.004 0.020 A 88 PHE HD1 H 1 7.131 0.020 A 88 PHE HD2 H 1 7.131 0.020 A 88 PHE C C 13 176.738 0.3 A 88 PHE CA C 13 60.482 0.3 A 88 PHE CB C 13 38.886 0.3 A 88 PHE CD1 C 13 131.094 0.3 A 88 PHE CD2 C 13 131.094 0.3 A 88 PHE N N 15 117.216 0.3 A 89 GLY H H 1 8.866 0.020 A 89 GLY HAx H 1 3.279 0.020 A 89 GLY HAy H 1 4.327 0.020 A 89 GLY C C 13 174.042 0.3 A 89 GLY CA C 13 44.062 0.3 A 89 GLY N N 15 110.743 0.3 A 90 ASP H H 1 8.869 0.020 A 90 ASP HA H 1 5.566 0.020 A 90 ASP HB2 H 1 2.614 0.020 A 90 ASP HB3 H 1 2.614 0.020 A 90 ASP C C 13 175.893 0.3 A 90 ASP CA C 13 54.470 0.3 A 90 ASP CB C 13 43.275 0.3 A 90 ASP N N 15 125.087 0.3 A 91 SER H H 1 9.056 0.020 A 91 SER HA H 1 4.455 0.020 A 91 SER HBx H 1 3.452 0.020 A 91 SER HBy H 1 3.826 0.020 A 91 SER CA C 13 59.217 0.3 A 91 SER CB C 13 65.093 0.3 A 91 SER N N 15 116.079 0.3 A 92 TYR H H 1 9.154 0.020 A 92 TYR HA H 1 5.190 0.020 A 92 TYR HB2 H 1 2.590 0.020 A 92 TYR HB3 H 1 2.590 0.020 A 92 TYR HD1 H 1 6.869 0.020 A 92 TYR HD2 H 1 6.869 0.020 A 92 TYR HE1 H 1 6.775 0.020 A 92 TYR HE2 H 1 6.775 0.020 A 92 TYR C C 13 176.043 0.3 A 92 TYR CA C 13 57.273 0.3 A 92 TYR CB C 13 40.862 0.3 A 92 TYR CD1 C 13 132.930 0.3 A 92 TYR CD2 C 13 132.930 0.3 A 92 TYR CE1 C 13 117.887 0.3 A 92 TYR CE2 C 13 117.887 0.3 A 92 TYR N N 15 114.271 0.3 A 93 ILE H H 1 9.257 0.020 A 93 ILE HA H 1 4.228 0.020 A 93 ILE HB H 1 1.901 0.020 A 93 ILE HD1% H 1 0.517 0.020 A 93 ILE HG12 H 1 0.739 0.020 A 93 ILE HG13 H 1 0.739 0.020 A 93 ILE HG2% H 1 0.817 0.020 A 93 ILE C C 13 175.540 0.3 A 93 ILE CA C 13 62.233 0.3 A 93 ILE CB C 13 40.167 0.3 A 93 ILE CD1 C 13 14.746 0.3 A 93 ILE CG1 C 13 27.735 0.3 A 93 ILE CG2 C 13 17.336 0.3 A 93 ILE N N 15 123.349 0.3 A 94 VAL H H 1 8.946 0.020 A 94 VAL HA H 1 4.974 0.020 A 94 VAL HB H 1 1.798 0.020 A 94 VAL HG1% H 1 0.724 0.020 A 94 VAL CA C 13 61.417 0.3 A 94 VAL CB C 13 33.706 0.3 A 94 VAL CG1 C 13 20.570 0.3 A 94 VAL CG2 C 13 21.232 0.3 A 94 VAL N N 15 126.889 0.3 A 95 ILE H H 1 8.841 0.020 A 95 ILE HA H 1 4.777 0.020 A 95 ILE HB H 1 1.512 0.020 A 95 ILE HD1% H 1 0.509 0.020 A 95 ILE HG12 H 1 1.110 0.020 A 95 ILE HG13 H 1 1.110 0.020 A 95 ILE HG2% H 1 0.014 0.020 A 95 ILE C C 13 175.345 0.3 A 95 ILE CA C 13 57.991 0.3 A 95 ILE CB C 13 38.018 0.3 A 95 ILE CD1 C 13 11.541 0.3 A 95 ILE CG1 C 13 27.265 0.3 A 95 ILE CG2 C 13 16.638 0.3 A 95 ILE N N 15 128.518 0.3 A 96 GLY H H 1 8.409 0.020 A 96 GLY HAx H 1 3.851 0.020 A 96 GLY HAy H 1 4.857 0.020 A 96 GLY C C 13 172.719 0.3 A 96 GLY CA C 13 43.566 0.3 A 96 GLY N N 15 112.103 0.3 A 97 VAL H H 1 8.329 0.020 A 97 VAL HA H 1 4.574 0.020 A 97 VAL HB H 1 2.061 0.020 A 97 VAL HG1% H 1 0.903 0.020 A 97 VAL HG2% H 1 0.903 0.020 A 97 VAL C C 13 176.442 0.3 A 97 VAL CA C 13 59.851 0.3 A 97 VAL CB C 13 35.918 0.3 A 97 VAL CG1 C 13 19.492 0.3 A 97 VAL CG2 C 13 21.527 0.3 A 97 VAL N N 15 111.782 0.3 A 98 GLY H H 1 8.749 0.020 A 98 GLY HAx H 1 3.797 0.020 A 98 GLY HAy H 1 4.039 0.020 A 98 GLY C C 13 175.855 0.3 A 98 GLY CA C 13 45.590 0.3 A 98 GLY N N 15 110.555 0.3 A 99 GLU H H 1 8.927 0.020 A 99 GLU HA H 1 4.131 0.020 A 99 GLU HBx H 1 2.032 0.020 A 99 GLU HBy H 1 2.108 0.020 A 99 GLU HG2 H 1 2.314 0.020 A 99 GLU HG3 H 1 2.314 0.020 A 99 GLU C C 13 177.647 0.3 A 99 GLU CA C 13 58.313 0.3 A 99 GLU CB C 13 29.469 0.3 A 99 GLU CG C 13 36.079 0.3 A 99 GLU N N 15 121.884 0.3 A 100 LYS H H 1 7.970 0.020 A 100 LYS HA H 1 4.480 0.020 A 100 LYS HBx H 1 1.870 0.020 A 100 LYS HBy H 1 2.060 0.020 A 100 LYS HDx H 1 1.557 0.020 A 100 LYS HDy H 1 1.639 0.020 A 100 LYS HE2 H 1 2.997 0.020 A 100 LYS HE3 H 1 2.997 0.020 A 100 LYS HG2 H 1 1.398 0.020 A 100 LYS HG3 H 1 1.398 0.020 A 100 LYS C C 13 176.483 0.3 A 100 LYS CA C 13 54.901 0.3 A 100 LYS CB C 13 31.606 0.3 A 100 LYS CD C 13 28.809 0.3 A 100 LYS CE C 13 42.356 0.3 A 100 LYS CG C 13 24.841 0.3 A 100 LYS N N 15 115.739 0.3 A 101 LYS H H 1 7.138 0.020 A 101 LYS HA H 1 4.508 0.020 A 101 LYS HBx H 1 1.218 0.020 A 101 LYS HBy H 1 1.576 0.020 A 101 LYS HD2 H 1 1.419 0.020 A 101 LYS HD3 H 1 1.419 0.020 A 101 LYS HE2 H 1 2.928 0.020 A 101 LYS HE3 H 1 2.928 0.020 A 101 LYS HG2 H 1 0.900 0.020 A 101 LYS HG3 H 1 0.900 0.020 A 101 LYS C C 13 174.677 0.3 A 101 LYS CA C 13 56.674 0.3 A 101 LYS CB C 13 32.118 0.3 A 101 LYS CD C 13 29.309 0.3 A 101 LYS CE C 13 41.508 0.3 A 101 LYS CG C 13 22.739 0.3 A 101 LYS N N 15 119.961 0.3 A 102 ILE H H 1 8.941 0.020 A 102 ILE HA H 1 4.801 0.020 A 102 ILE HB H 1 1.810 0.020 A 102 ILE HD1% H 1 -0.230 0.020 A 102 ILE HG12 H 1 1.097 0.020 A 102 ILE HG13 H 1 1.097 0.020 A 102 ILE HG2% H 1 0.931 0.020 A 102 ILE C C 13 175.047 0.3 A 102 ILE CA C 13 60.041 0.3 A 102 ILE CB C 13 40.503 0.3 A 102 ILE CD1 C 13 11.936 0.3 A 102 ILE CG1 C 13 26.135 0.3 A 102 ILE CG2 C 13 18.308 0.3 A 102 ILE N N 15 117.861 0.3 A 103 THR H H 1 8.412 0.020 A 103 THR HA H 1 6.124 0.020 A 103 THR HB H 1 4.125 0.020 A 103 THR HG2% H 1 1.088 0.020 A 103 THR C C 13 174.607 0.3 A 103 THR CA C 13 58.844 0.3 A 103 THR CB C 13 72.984 0.3 A 103 THR CG2 C 13 22.094 0.3 A 103 THR N N 15 111.086 0.3 A 104 HIS H H 1 8.924 0.020 A 104 HIS HD2 H 1 6.768 0.020 A 104 HIS HE1 H 1 8.125 0.020 A 104 HIS CA C 13 56.565 0.3 A 104 HIS CB C 13 34.726 0.3 A 104 HIS CD2 C 13 121.411 0.3 A 104 HIS CE1 C 13 137.792 0.3 A 104 HIS N N 15 120.384 0.3 A 105 HIS HA H 1 4.317 0.020 A 105 HIS HB2 H 1 2.965 0.020 A 105 HIS HB3 H 1 2.965 0.020 A 105 HIS HD2 H 1 6.462 0.020 A 105 HIS HE1 H 1 8.236 0.020 A 105 HIS CA C 13 57.033 0.3 A 105 HIS CB C 13 29.733 0.3 A 105 HIS CD2 C 13 119.280 0.3 A 105 HIS CE1 C 13 136.528 0.3 A 106 TRP H H 1 9.160 0.020 A 106 TRP HA H 1 4.523 0.020 A 106 TRP HBx H 1 2.785 0.020 A 106 TRP HBy H 1 2.933 0.020 A 106 TRP HD1 H 1 6.956 0.020 A 106 TRP HE3 H 1 7.516 0.020 A 106 TRP HH2 H 1 7.059 0.020 A 106 TRP HZ2 H 1 7.328 0.020 A 106 TRP HZ3 H 1 6.925 0.020 A 106 TRP C C 13 172.099 0.3 A 106 TRP CA C 13 56.493 0.3 A 106 TRP CB C 13 33.010 0.3 A 106 TRP CD1 C 13 126.190 0.3 A 106 TRP CE3 C 13 119.793 0.3 A 106 TRP CH2 C 13 123.723 0.3 A 106 TRP CZ2 C 13 114.986 0.3 A 106 TRP CZ3 C 13 121.675 0.3 A 106 TRP N N 15 129.359 0.3 A 107 HIS H H 1 6.399 0.020 A 107 HIS HA H 1 4.870 0.020 A 107 HIS HB2 H 1 2.563 0.020 A 107 HIS HB3 H 1 2.563 0.020 A 107 HIS HD2 H 1 6.839 0.020 A 107 HIS HE1 H 1 8.041 0.020 A 107 HIS C C 13 171.779 0.3 A 107 HIS CA C 13 54.225 0.3 A 107 HIS CB C 13 30.894 0.3 A 107 HIS CD2 C 13 121.300 0.3 A 107 HIS CE1 C 13 136.720 0.3 A 107 HIS N N 15 122.990 0.3 A 108 ARG H H 1 8.122 0.020 A 108 ARG HA H 1 4.549 0.020 A 108 ARG HBx H 1 1.487 0.020 A 108 ARG HBy H 1 2.120 0.020 A 108 ARG HD2 H 1 2.690 0.020 A 108 ARG HD3 H 1 2.690 0.020 A 108 ARG HG2 H 1 1.833 0.020 A 108 ARG HG3 H 1 1.833 0.020 A 108 ARG C C 13 175.893 0.3 A 108 ARG CA C 13 54.481 0.3 A 108 ARG CB C 13 32.786 0.3 A 108 ARG CD C 13 44.178 0.3 A 108 ARG CG C 13 26.971 0.3 A 108 ARG N N 15 127.328 0.3 A 109 SER H H 1 9.086 0.020 A 109 SER HA H 1 4.445 0.020 A 109 SER HB2 H 1 3.935 0.020 A 109 SER HB3 H 1 3.935 0.020 A 109 SER C C 13 174.134 0.3 A 109 SER CA C 13 58.692 0.3 A 109 SER CB C 13 64.053 0.3 A 109 SER N N 15 124.642 0.3 A 110 GLY H H 1 8.519 0.020 A 110 GLY HAx H 1 3.897 0.020 A 110 GLY HAy H 1 3.940 0.020 A 110 GLY C C 13 173.776 0.3 A 110 GLY CA C 13 45.126 0.3 A 110 GLY N N 15 109.770 0.3 A 111 SER H H 1 8.064 0.020 A 111 SER HA H 1 4.293 0.020 A 111 SER HB2 H 1 3.729 0.020 A 111 SER HB3 H 1 3.729 0.020 A 111 SER C C 13 174.665 0.3 A 111 SER CA C 13 57.974 0.3 A 111 SER CB C 13 63.949 0.3 A 111 SER N N 15 114.399 0.3 A 112 THR H H 1 8.166 0.020 A 112 THR HA H 1 4.283 0.020 A 112 THR HB H 1 4.197 0.020 A 112 THR HG2% H 1 1.156 0.020 A 112 THR C C 13 174.504 0.3 A 112 THR CA C 13 61.817 0.3 A 112 THR CB C 13 69.470 0.3 A 112 THR CG2 C 13 22.020 0.3 A 112 THR N N 15 115.588 0.3 A 113 ILE H H 1 8.021 0.020 A 113 ILE HA H 1 4.141 0.020 A 113 ILE HB H 1 1.833 0.020 A 113 ILE HD1% H 1 0.821 0.020 A 113 ILE HG1x H 1 1.149 0.020 A 113 ILE HG1y H 1 1.436 0.020 A 113 ILE HG2% H 1 0.884 0.020 A 113 ILE C C 13 176.585 0.3 A 113 ILE CA C 13 61.374 0.3 A 113 ILE CB C 13 38.538 0.3 A 113 ILE CD1 C 13 12.840 0.3 A 113 ILE CG1 C 13 27.263 0.3 A 113 ILE CG2 C 13 17.347 0.3 A 113 ILE N N 15 122.467 0.3 A 114 GLY H H 1 8.415 0.020 A 114 GLY HA2 H 1 3.907 0.020 A 114 GLY HA3 H 1 3.907 0.020 A 114 GLY C C 13 173.060 0.3 A 114 GLY CA C 13 45.335 0.3 A 114 GLY N N 15 113.164 0.3 A 115 LYS H H 1 7.726 0.020 A 115 LYS C C 13 181.297 0.3 A 115 LYS CA C 13 57.397 0.3 A 115 LYS CB C 13 33.634 0.3 A 115 LYS N N 15 125.639 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 103 THR HB A 92 TYR HB2 1.0 . 4.49 2 1 A 92 TYR HB3 A 103 THR HB 1.0 . 4.49 3 2 A 33 THR HB A 81 MET HB2 1.0 . 5.05 4 2 A 33 THR HB A 81 MET HB3 1.0 . 5.05 5 3 A 66 THR HB A 82 LEU HD1% 1.0 . 4.71 6 3 A 66 THR HB A 82 LEU HD2% 1.0 . 4.71 7 4 A 75 THR HB A 76 GLU H 1.0 . 3.93 8 5 A 57 THR HB A 56 GLN HB2 1.0 . 5.50 9 5 A 56 GLN HB3 A 57 THR HB 1.0 . 5.50 10 6 A 75 THR HB A 73 GLU HBy 1.0 . 5.50 11 7 A 72 THR HB A 73 GLU H 1.0 . 4.52 12 8 A 57 THR HB A 59 THR H 1.0 . 4.84 13 9 A 21 THR HB A 79 LYS HE2 1.0 . 4.63 14 9 A 21 THR HB A 79 LYS HE3 1.0 . 4.63 15 10 A 91 SER HBx A 51 MET HG2 1.0 . 4.37 16 10 A 51 MET HG3 A 91 SER HBx 1.0 . 4.37 17 11 A 51 MET HG3 A 91 SER HBy 1.0 . 4.37 18 11 A 51 MET HG2 A 91 SER HBy 1.0 . 4.37 19 12 A 71 ILE HG2% A 78 SER HB2 1.0 . 4.43 20 12 A 71 ILE HG2% A 78 SER HB3 1.0 . 4.43 21 13 A 73 GLU HBx A 78 SER HB2 1.0 . 4.72 22 13 A 78 SER HB3 A 73 GLU HBx 1.0 . 4.72 23 14 A 53 VAL HA A 92 TYR HD% 1.0 . 4.39 24 15 A 23 ILE HB A 24 PRO HA 1.0 . 5.50 25 16 A 24 PRO HA A 34 VAL HB 1.0 . 5.50 26 17 A 24 PRO HA A 34 VAL HG1% 1.0 . 5.44 27 17 A 24 PRO HA A 34 VAL HG2% 1.0 . 5.44 28 18 A 21 THR HA A 21 THR HG2% 1.0 . 3.25 29 19 A 66 THR HA A 66 THR HG2% 1.0 . 3.43 30 20 A 66 THR HA A 65 ILE HG2% 1.0 . 4.86 31 21 A 44 PRO HA A 72 THR HA 1.0 . 4.29 32 22 A 57 THR HA A 57 THR HG2% 1.0 . 3.32 33 23 A 72 THR HA A 72 THR HG2% 1.0 . 3.39 34 24 A 93 ILE HA A 93 ILE HG12 1.0 . 3.65 35 24 A 93 ILE HA A 93 ILE HG13 1.0 . 3.65 36 25 A 93 ILE HA A 51 MET HA 1.0 . 4.02 37 26 A 93 ILE HA A 94 VAL HB 1.0 . 4.97 38 27 A 65 ILE HA A 65 ILE HG1x 1.0 . 4.25 39 28 A 9 VAL HA A 10 SER HB2 1.0 . 4.89 40 28 A 9 VAL HA A 10 SER HB3 1.0 . 4.89 41 29 A 94 VAL HA A 103 THR HG2% 1.0 . 4.60 42 30 A 113 ILE HA A 114 GLY HA2 1.0 . 4.18 43 30 A 113 ILE HA A 114 GLY HA3 1.0 . 4.18 44 31 A 47 VAL HA A 48 PRO HD2 1.0 . 3.68 45 31 A 47 VAL HA A 48 PRO HD3 1.0 . 3.68 46 32 A 19 THR HA A 102 ILE HB 1.0 . 4.71 47 33 A 88 PHE HA A 87 PRO HB2 1.0 . 4.90 48 33 A 87 PRO HB3 A 88 PHE HA 1.0 . 4.90 49 34 A 88 PHE HA A 108 ARG HBy 1.0 . 5.13 50 35 A 27 THR HA A 27 THR HG2% 1.0 . 3.16 51 36 A 31 THR HA A 31 THR HG2% 1.0 . 3.38 52 37 A 75 THR HA A 75 THR HG2% 1.0 . 3.42 53 38 A 102 ILE HA A 102 ILE HG2% 1.0 . 3.09 54 39 A 97 VAL HA A 101 LYS HD2 1.0 . 4.46 55 39 A 97 VAL HA A 101 LYS HD3 1.0 . 4.46 56 40 A 102 ILE HA A 20 PHE HE% 1.0 . 4.43 57 41 A 97 VAL HA A 97 VAL HG1% 1.0 . 3.88 58 41 A 97 VAL HA A 97 VAL HG2% 1.0 . 3.88 59 42 A 23 ILE HA A 24 PRO HDy 1.0 . 3.14 60 43 A 23 ILE HA A 24 PRO HDx 1.0 . 3.52 61 44 A 32 VAL HA A 32 VAL HGy% 1.0 . 3.66 62 45 A 32 VAL HA A 32 VAL HGx% 1.0 . 3.91 63 46 A 61 VAL HA A 61 VAL HGx% 1.0 . 4.09 64 47 A 34 VAL HA A 35 GLU HA 1.0 . 5.16 65 48 A 94 VAL HA A 103 THR HA 1.0 . 3.92 66 49 A 32 VAL HA A 26 GLU HA 1.0 . 3.51 67 50 A 91 SER HA A 90 ASP HB2 1.0 . 5.50 68 50 A 90 ASP HB3 A 91 SER HA 1.0 . 5.50 69 51 A 91 SER HA A 92 TYR HB2 1.0 . 5.50 70 51 A 92 TYR HB3 A 91 SER HA 1.0 . 5.50 71 52 A 34 VAL HA A 33 THR HA 1.0 . 5.50 72 53 A 34 VAL HA A 33 THR HG2% 1.0 . 5.50 73 54 A 103 THR HA A 20 PHE HZ 1.0 . 4.88 74 55 A 71 ILE HA A 78 SER HB2 1.0 . 5.09 75 55 A 78 SER HB3 A 71 ILE HA 1.0 . 5.09 76 56 A 71 ILE HG2% A 71 ILE HA 1.0 . 3.71 77 57 A 73 GLU H A 71 ILE HA 1.0 . 5.34 78 58 A 99 GLU HA A 99 GLU HG2 1.0 . 3.67 79 58 A 99 GLU HA A 99 GLU HG3 1.0 . 3.67 80 59 A 20 PHE HA A 20 PHE HD% 1.0 . 3.81 81 60 A 49 ALA H A 95 ILE HA 1.0 . 5.05 82 61 A 20 PHE HBy A 36 VAL HA 1.0 . 5.31 83 62 A 20 PHE HA A 36 VAL HA 1.0 . 3.58 84 63 A 36 VAL HA A 36 VAL HGx% 1.0 . 3.42 85 64 A 20 PHE HD% A 36 VAL HA 1.0 . 5.10 86 65 A 10 SER HA A 11 TYR HA 1.0 . 4.54 87 66 A 92 TYR HA A 104 HIS H 1.0 . 5.50 88 67 A 92 TYR HD% A 92 TYR HA 1.0 . 4.58 89 68 A 92 TYR HA A 105 HIS HA 1.0 . 3.89 90 69 A 105 HIS HA A 106 TRP H 1.0 . 3.30 91 70 A 18 PHE HA A 39 ALA H 1.0 . 4.47 92 71 A 18 PHE HA A 18 PHE HD% 1.0 . 4.32 93 72 A 18 PHE HA A 38 TYR HA 1.0 . 4.19 94 73 A 106 TRP HA A 107 HIS HA 1.0 . 4.48 95 74 A 18 PHE HA A 17 ALA HB% 1.0 . 5.50 96 75 A 32 VAL HGy% A 26 GLU HA 1.0 . 4.59 97 76 A 26 GLU HA A 33 THR HG2% 1.0 . 5.50 98 77 A 26 GLU HA A 25 ALA HB% 1.0 . 5.37 99 78 A 26 GLU HA A 26 GLU HGy 1.0 . 4.18 100 79 A 27 THR HG2% A 26 GLU HA 1.0 . 5.17 101 80 A 73 GLU HA A 73 GLU HG2 1.0 . 3.68 102 80 A 73 GLU HA A 73 GLU HG3 1.0 . 3.68 103 81 A 35 GLU HA A 35 GLU HGx 1.0 . 4.10 104 82 A 37 GLN HA A 79 LYS HA 1.0 . 3.70 105 83 A 35 GLU HA A 34 VAL HG1% 1.0 . 4.52 106 83 A 34 VAL HG2% A 35 GLU HA 1.0 . 4.52 107 84 A 79 LYS HA A 79 LYS HG2 1.0 . 4.00 108 84 A 79 LYS HA A 79 LYS HG3 1.0 . 4.00 109 85 A 80 MET HA A 81 MET H 1.0 . 2.70 110 86 A 76 GLU HA A 77 ASN HA 1.0 . 5.09 111 87 A 77 ASN HA A 78 SER HB2 1.0 . 5.50 112 87 A 78 SER HB3 A 77 ASN HA 1.0 . 5.50 113 88 A 107 HIS HA A 90 ASP HA 1.0 . 4.07 114 89 A 50 GLN HA A 51 MET H 1.0 . 3.25 115 90 A 108 ARG HA A 109 SER HB2 1.0 . 4.98 116 90 A 108 ARG HA A 109 SER HB3 1.0 . 4.98 117 91 A 107 HIS HA A 90 ASP HB2 1.0 . 4.66 118 91 A 90 ASP HB3 A 107 HIS HA 1.0 . 4.66 119 92 A 51 MET HA A 92 TYR H 1.0 . 4.87 120 93 A 51 MET HA A 51 MET HG2 1.0 . 3.82 121 93 A 51 MET HG3 A 51 MET HA 1.0 . 3.82 122 94 A 51 MET HA A 93 ILE HG12 1.0 . 5.32 123 94 A 93 ILE HG13 A 51 MET HA 1.0 . 5.32 124 95 A 82 LEU HA A 82 LEU HG 1.0 . 3.91 125 96 A 82 LEU HA A 81 MET HB2 1.0 . 5.23 126 96 A 81 MET HB3 A 82 LEU HA 1.0 . 5.23 127 97 A 17 ALA HA A 18 PHE HB2 1.0 . 5.32 128 97 A 17 ALA HA A 18 PHE HB3 1.0 . 5.32 129 98 A 52 ALA HA A 61 VAL HGx% 1.0 . 4.79 130 99 A 48 PRO HBy A 49 ALA HA 1.0 . 5.50 131 100 A 95 ILE HA A 49 ALA HA 1.0 . 3.72 132 101 A 48 PRO HD3 A 47 VAL HGy% 1.0 . 4.64 133 101 A 47 VAL HGy% A 48 PRO HD2 1.0 . 4.64 134 102 A 49 ALA HA A 96 GLY H 1.0 . 4.45 135 103 A 48 PRO HD3 A 47 VAL HGx% 1.0 . 4.64 136 103 A 47 VAL HGx% A 48 PRO HD2 1.0 . 4.64 137 104 A 26 GLU HA A 25 ALA HA 1.0 . 4.38 138 105 A 31 THR HA A 85 ASP HA 1.0 . 3.98 139 106 A 85 ASP HA A 86 PRO HDy 1.0 . 3.75 140 107 A 85 ASP HA A 86 PRO HDx 1.0 . 3.75 141 108 A 31 THR HG2% A 85 ASP HA 1.0 . 3.83 142 109 A 23 ILE HB A 24 PRO HDx 1.0 . 4.11 143 110 A 23 ILE HB A 24 PRO HDy 1.0 . 5.13 144 111 A 87 PRO HDx A 86 PRO HGy 1.0 . 4.78 145 112 A 62 GLY H A 87 PRO HDy 1.0 . 5.45 146 113 A 87 PRO HDx A 62 GLY H 1.0 . 5.36 147 114 A 82 LEU HD2% A 82 LEU HBx 1.0 . 3.71 148 114 A 82 LEU HBx A 82 LEU HD1% 1.0 . 3.71 149 115 A 98 GLY HAy A 101 LYS HA 1.0 . 5.40 150 116 A 98 GLY HAy A 101 LYS HG2 1.0 . 5.44 151 116 A 98 GLY HAy A 101 LYS HG3 1.0 . 5.44 152 117 A 98 GLY HAx A 101 LYS HG2 1.0 . 5.50 153 117 A 101 LYS HG3 A 98 GLY HAx 1.0 . 5.50 154 118 A 85 ASP H A 84 LEU HBy 1.0 . 5.04 155 119 A 88 PHE HA A 108 ARG HD2 1.0 . 4.93 156 119 A 88 PHE HA A 108 ARG HD3 1.0 . 4.93 157 120 A 48 PRO HBx A 96 GLY HAy 1.0 . 4.21 158 121 A 48 PRO HBx A 96 GLY HAx 1.0 . 4.21 159 122 A 36 VAL HGy% A 18 PHE HB2 1.0 . 4.95 160 122 A 18 PHE HB3 A 36 VAL HGy% 1.0 . 4.95 161 123 A 36 VAL HGx% A 18 PHE HB2 1.0 . 5.48 162 123 A 36 VAL HGx% A 18 PHE HB3 1.0 . 5.48 163 124 A 31 THR HG2% A 85 ASP HBy 1.0 . 5.50 164 125 A 85 ASP HBy A 65 ILE HG1x 1.0 . 5.50 165 126 A 85 ASP HBx A 65 ILE HG1y 1.0 . 5.11 166 127 A 85 ASP HBx A 63 ARG H 1.0 . 5.50 167 128 A 31 THR HG2% A 85 ASP HBx 1.0 . 4.66 168 129 A 85 ASP HBx A 65 ILE HG1x 1.0 . 5.11 169 130 A 79 LYS H A 79 LYS HE2 1.0 . 5.20 170 130 A 79 LYS HE3 A 79 LYS H 1.0 . 5.20 171 131 A 71 ILE HD1% A 38 TYR HBy 1.0 . 4.56 172 132 A 71 ILE HD1% A 38 TYR HBx 1.0 . 4.56 173 133 A 93 ILE H A 93 ILE HB 1.0 . 3.94 174 134 A 93 ILE HB A 93 ILE HD1% 1.0 . 3.95 175 135 A 93 ILE HB A 94 VAL H 1.0 . 5.50 176 136 A 104 HIS H A 93 ILE HB 1.0 . 5.50 177 137 A 23 ILE HA A 20 PHE HBy 1.0 . 5.13 178 138 A 21 THR HA A 20 PHE HBy 1.0 . 5.43 179 139 A 20 PHE HBy A 23 ILE HG2% 1.0 . 5.50 180 140 A 21 THR HG2% A 20 PHE HBx 1.0 . 5.50 181 141 A 20 PHE HBx A 102 ILE HG12 1.0 . 5.50 182 141 A 20 PHE HBx A 102 ILE HG13 1.0 . 5.50 183 142 A 35 GLU HA A 35 GLU HGy 1.0 . 4.10 184 143 A 80 MET HA A 35 GLU HGy 1.0 . 4.90 185 144 A 80 MET HA A 35 GLU HGx 1.0 . 4.90 186 145 A 36 VAL H A 35 GLU HGx 1.0 . 4.21 187 146 A 95 ILE HB A 102 ILE HG12 1.0 . 4.13 188 146 A 102 ILE HG13 A 95 ILE HB 1.0 . 4.13 189 147 A 27 THR H A 26 GLU HGy 1.0 . 4.12 190 148 A 26 GLU HA A 26 GLU HGx 1.0 . 4.18 191 149 A 65 ILE H A 65 ILE HB 1.0 . 3.79 192 150 A 79 LYS HB2 A 79 LYS HE2 1.0 . 4.60 193 150 A 79 LYS HB3 A 79 LYS HE2 1.0 . 4.60 194 150 A 79 LYS HE3 A 79 LYS HB2 1.0 . 4.60 195 150 A 79 LYS HE3 A 79 LYS HB3 1.0 . 4.60 196 151 A 99 GLU HG2 A 100 LYS HG2 1.0 . 5.47 197 151 A 99 GLU HG3 A 100 LYS HG2 1.0 . 5.47 198 151 A 100 LYS HG3 A 99 GLU HG2 1.0 . 5.47 199 151 A 99 GLU HG3 A 100 LYS HG3 1.0 . 5.47 200 152 A 99 GLU H A 99 GLU HG2 1.0 . 5.20 201 152 A 99 GLU HG3 A 99 GLU H 1.0 . 5.20 202 153 A 73 GLU HBy A 73 GLU HG2 1.0 . 2.44 203 153 A 73 GLU HBy A 73 GLU HG3 1.0 . 2.44 204 154 A 74 SER H A 73 GLU HG2 1.0 . 4.89 205 154 A 73 GLU HG3 A 74 SER H 1.0 . 4.89 206 155 A 101 LYS H A 99 GLU HG2 1.0 . 5.50 207 155 A 99 GLU HG3 A 101 LYS H 1.0 . 5.50 208 156 A 36 VAL HB A 18 PHE HB2 1.0 . 4.87 209 156 A 18 PHE HB3 A 36 VAL HB 1.0 . 4.87 210 157 A 36 VAL HB A 102 ILE HD1% 1.0 . 5.43 211 158 A 70 VAL H A 70 VAL HB 1.0 . 4.12 212 159 A 62 GLY H A 61 VAL HB 1.0 . 4.03 213 160 A 76 GLU H A 76 GLU HGx 1.0 . 4.27 214 161 A 76 GLU H A 76 GLU HGy 1.0 . 4.27 215 162 A 32 VAL HB A 84 LEU H 1.0 . 5.50 216 163 A 57 THR HG2% A 56 GLN HG2 1.0 . 4.56 217 163 A 57 THR HG2% A 56 GLN HG3 1.0 . 4.56 218 164 A 56 GLN H A 56 GLN HG2 1.0 . 4.27 219 164 A 56 GLN HG3 A 56 GLN H 1.0 . 4.27 220 165 A 57 THR H A 56 GLN HG2 1.0 . 4.96 221 165 A 56 GLN HG3 A 57 THR H 1.0 . 4.96 222 166 A 56 GLN HA A 56 GLN HG2 1.0 . 3.68 223 166 A 56 GLN HG3 A 56 GLN HA 1.0 . 3.68 224 167 A 56 GLN HB2 A 56 GLN HG2 1.0 . 2.59 225 167 A 56 GLN HB3 A 56 GLN HG2 1.0 . 2.59 226 167 A 56 GLN HG3 A 56 GLN HB2 1.0 . 2.59 227 167 A 56 GLN HB3 A 56 GLN HG3 1.0 . 2.59 228 168 A 53 VAL HB A 54 ASP HA 1.0 . 5.29 229 169 A 88 PHE HA A 108 ARG HBx 1.0 . 5.13 230 170 A 25 ALA HA A 26 GLU HB2 1.0 . 5.22 231 170 A 25 ALA HA A 26 GLU HB3 1.0 . 5.22 232 171 A 32 VAL HA A 26 GLU HB2 1.0 . 5.50 233 171 A 32 VAL HA A 26 GLU HB3 1.0 . 5.50 234 172 A 82 LEU H A 81 MET HGy 1.0 . 4.43 235 173 A 81 MET H A 81 MET HGy 1.0 . 4.84 236 174 A 81 MET HA A 81 MET HGy 1.0 . 4.09 237 175 A 33 THR HG2% A 81 MET HGy 1.0 . 4.70 238 176 A 81 MET H A 81 MET HGx 1.0 . 4.84 239 177 A 81 MET HA A 81 MET HGx 1.0 . 4.09 240 178 A 33 THR HB A 81 MET HGx 1.0 . 5.21 241 179 A 101 LYS HD3 A 101 LYS HBy 1.0 . 3.54 242 179 A 101 LYS HBy A 101 LYS HD2 1.0 . 3.54 243 180 A 101 LYS HD3 A 101 LYS HBx 1.0 . 3.54 244 180 A 101 LYS HBx A 101 LYS HD2 1.0 . 3.54 245 181 A 33 THR HB A 81 MET HGy 1.0 . 5.21 246 182 A 73 GLU HBx A 79 LYS H 1.0 . 5.50 247 183 A 106 TRP HD1 A 86 PRO HB2 1.0 . 4.79 248 183 A 86 PRO HB3 A 106 TRP HD1 1.0 . 4.79 249 184 A 87 PRO HDy A 86 PRO HB2 1.0 . 4.26 250 184 A 87 PRO HDy A 86 PRO HB3 1.0 . 4.26 251 185 A 34 VAL HG2% A 24 PRO HBy 1.0 . 5.20 252 185 A 24 PRO HBy A 34 VAL HG1% 1.0 . 5.20 253 186 A 93 ILE HD1% A 24 PRO HBy 1.0 . 4.82 254 187 A 93 ILE HD1% A 24 PRO HBx 1.0 . 4.82 255 188 A 34 VAL HG2% A 24 PRO HBx 1.0 . 5.20 256 188 A 24 PRO HBx A 34 VAL HG1% 1.0 . 5.20 257 189 A 5 ARG HB2 A 5 ARG HG2 1.0 . 2.74 258 189 A 5 ARG HB3 A 5 ARG HG2 1.0 . 2.74 259 189 A 5 ARG HG3 A 5 ARG HB2 1.0 . 2.74 260 189 A 5 ARG HB3 A 5 ARG HG3 1.0 . 2.74 261 190 A 92 TYR HE% A 105 HIS HB2 1.0 . 4.84 262 190 A 92 TYR HE% A 105 HIS HB3 1.0 . 4.84 263 191 A 48 PRO HBy A 96 GLY H 1.0 . 4.68 264 192 A 84 LEU HA A 84 LEU HG 1.0 . 4.07 265 193 A 84 LEU H A 84 LEU HG 1.0 . 5.50 266 194 A 65 ILE H A 65 ILE HG1y 1.0 . 4.39 267 195 A 65 ILE HA A 65 ILE HG1y 1.0 . 4.25 268 196 A 85 ASP HBy A 65 ILE HG1y 1.0 . 5.50 269 197 A 65 ILE H A 65 ILE HG1x 1.0 . 4.39 270 198 A 23 ILE HG2% A 23 ILE HG1x 1.0 . 3.66 271 199 A 13 LEU H A 13 LEU HG 1.0 . 3.56 272 200 A 87 PRO HDx A 86 PRO HGx 1.0 . 4.78 273 201 A 32 VAL HGx% A 86 PRO HGx 1.0 . 4.42 274 202 A 55 MET HA A 58 LEU HG 1.0 . 4.71 275 203 A 58 LEU HG A 52 ALA HB% 1.0 . 3.84 276 204 A 58 LEU HG A 58 LEU H 1.0 . 4.50 277 205 A 102 ILE H A 102 ILE HG12 1.0 . 4.28 278 205 A 102 ILE HG13 A 102 ILE H 1.0 . 4.28 279 206 A 84 LEU HA A 84 LEU HDy% 1.0 . 4.26 280 207 A 58 LEU HA A 58 LEU HDy% 1.0 . 4.42 281 208 A 84 LEU HA A 84 LEU HDx% 1.0 . 4.26 282 209 A 34 VAL HG2% A 84 LEU HDx% 1.0 . 2.89 283 209 A 34 VAL HG1% A 84 LEU HDx% 1.0 . 2.89 284 210 A 55 MET HA A 58 LEU HDy% 1.0 . 4.77 285 211 A 101 LYS HE3 A 58 LEU HDy% 1.0 . 4.82 286 211 A 58 LEU HDy% A 101 LYS HE2 1.0 . 4.82 287 212 A 58 LEU HDy% A 58 LEU HB2 1.0 . 3.27 288 212 A 58 LEU HB3 A 58 LEU HDy% 1.0 . 3.27 289 213 A 79 LYS H A 79 LYS HG2 1.0 . 5.30 290 213 A 79 LYS HG3 A 79 LYS H 1.0 . 5.30 291 214 A 37 GLN HA A 79 LYS HG2 1.0 . 4.79 292 214 A 37 GLN HA A 79 LYS HG3 1.0 . 4.79 293 215 A 100 LYS HA A 100 LYS HG2 1.0 . 3.98 294 215 A 100 LYS HG3 A 100 LYS HA 1.0 . 3.98 295 216 A 21 THR HG2% A 20 PHE HA 1.0 . 4.45 296 217 A 21 THR HG2% A 37 GLN HA 1.0 . 4.85 297 218 A 81 MET H A 82 LEU HD1% 1.0 . 5.14 298 218 A 82 LEU HD2% A 81 MET H 1.0 . 5.14 299 219 A 83 GLU H A 82 LEU HD1% 1.0 . 5.32 300 219 A 82 LEU HD2% A 83 GLU H 1.0 . 5.32 301 220 A 82 LEU HA A 82 LEU HD1% 1.0 . 3.46 302 220 A 82 LEU HD2% A 82 LEU HA 1.0 . 3.46 303 221 A 82 LEU HD2% A 82 LEU HBy 1.0 . 3.71 304 221 A 82 LEU HBy A 82 LEU HD1% 1.0 . 3.71 305 222 A 49 ALA HB% A 82 LEU HD1% 1.0 . 3.06 306 222 A 82 LEU HD2% A 49 ALA HB% 1.0 . 3.06 307 223 A 21 THR HG2% A 37 GLN H 1.0 . 3.86 308 224 A 21 THR HG2% A 22 LYS H 1.0 . 4.75 309 225 A 21 THR HG2% A 36 VAL HA 1.0 . 4.13 310 226 A 21 THR HG2% A 79 LYS HE2 1.0 . 3.90 311 226 A 79 LYS HE3 A 21 THR HG2% 1.0 . 3.90 312 227 A 52 ALA HB% A 50 GLN HE22 1.0 . 4.18 313 228 A 58 LEU HB3 A 58 LEU HDx% 1.0 . 3.27 314 228 A 58 LEU HB2 A 58 LEU HDx% 1.0 . 3.27 315 229 A 52 ALA HB% A 52 ALA H 1.0 . 3.50 316 230 A 52 ALA HB% A 54 ASP H 1.0 . 3.80 317 231 A 52 ALA HB% A 50 GLN HE21 1.0 . 4.18 318 232 A 54 ASP HA A 52 ALA HB% 1.0 . 5.24 319 233 A 53 VAL HA A 52 ALA HB% 1.0 . 4.91 320 234 A 55 MET HA A 52 ALA HB% 1.0 . 5.18 321 235 A 52 ALA HB% A 58 LEU HA 1.0 . 3.31 322 236 A 52 ALA HB% A 92 TYR HB2 1.0 . 4.72 323 236 A 92 TYR HB3 A 52 ALA HB% 1.0 . 4.72 324 237 A 55 MET HA A 58 LEU HDx% 1.0 . 4.77 325 238 A 58 LEU HA A 58 LEU HDx% 1.0 . 4.42 326 239 A 101 LYS HE3 A 58 LEU HDx% 1.0 . 4.82 327 239 A 58 LEU HDx% A 101 LYS HE2 1.0 . 4.82 328 240 A 20 PHE HE% A 49 ALA HB% 1.0 . 5.50 329 241 A 97 VAL HB A 101 LYS HG2 1.0 . 4.68 330 241 A 101 LYS HG3 A 97 VAL HB 1.0 . 4.68 331 242 A 13 LEU H A 13 LEU HDx% 1.0 . 4.28 332 243 A 49 ALA HB% A 95 ILE HD1% 1.0 . 2.98 333 244 A 47 VAL HA A 47 VAL HGx% 1.0 . 3.57 334 245 A 47 VAL H A 47 VAL HGx% 1.0 . 4.38 335 246 A 38 TYR HD% A 47 VAL HGx% 1.0 . 4.72 336 247 A 36 VAL HGx% A 37 GLN H 1.0 . 4.31 337 248 A 20 PHE HD% A 36 VAL HGx% 1.0 . 3.70 338 249 A 20 PHE HA A 36 VAL HGx% 1.0 . 3.64 339 250 A 19 THR HA A 19 THR HG2% 1.0 . 3.57 340 251 A 72 THR HG2% A 72 THR H 1.0 . 3.48 341 252 A 112 THR HA A 112 THR HG2% 1.0 . 3.57 342 253 A 103 THR HG2% A 103 THR HA 1.0 . 3.46 343 254 A 15 THR H A 15 THR HG2% 1.0 . 4.01 344 255 A 15 THR HG2% A 15 THR HA 1.0 . 3.21 345 256 A 75 THR HG2% A 75 THR H 1.0 . 4.39 346 257 A 103 THR HG2% A 103 THR H 1.0 . 3.75 347 258 A 92 TYR HD% A 103 THR HG2% 1.0 . 4.93 348 259 A 57 THR HG2% A 56 GLN HB2 1.0 . 4.60 349 259 A 56 GLN HB3 A 57 THR HG2% 1.0 . 4.60 350 260 A 73 GLU HBy A 75 THR HG2% 1.0 . 5.29 351 261 A 66 THR HG2% A 82 LEU HD1% 1.0 . 3.45 352 261 A 82 LEU HD2% A 66 THR HG2% 1.0 . 3.45 353 262 A 53 VAL HA A 53 VAL HGx% 1.0 . 4.15 354 263 A 53 VAL HA A 53 VAL HGy% 1.0 . 4.15 355 264 A 62 GLY H A 61 VAL HGx% 1.0 . 4.14 356 265 A 61 VAL H A 61 VAL HGx% 1.0 . 4.02 357 266 A 32 VAL HGy% A 34 VAL HG1% 1.0 . 4.67 358 266 A 34 VAL HG2% A 32 VAL HGy% 1.0 . 4.67 359 267 A 20 PHE HD% A 34 VAL HG1% 1.0 . 4.06 360 267 A 34 VAL HG2% A 20 PHE HD% 1.0 . 4.06 361 268 A 34 VAL HA A 34 VAL HG1% 1.0 . 3.17 362 268 A 34 VAL HG2% A 34 VAL HA 1.0 . 3.17 363 269 A 24 PRO HDy A 34 VAL HG1% 1.0 . 4.37 364 269 A 34 VAL HG2% A 24 PRO HDy 1.0 . 4.37 365 270 A 49 ALA HB% A 34 VAL HG1% 1.0 . 3.16 366 270 A 34 VAL HG2% A 49 ALA HB% 1.0 . 3.16 367 271 A 32 VAL HGy% A 86 PRO HDx 1.0 . 5.50 368 272 A 32 VAL HGy% A 24 PRO HBx 1.0 . 4.83 369 273 A 32 VAL HGy% A 24 PRO HBy 1.0 . 4.83 370 274 A 32 VAL HGy% A 32 VAL H 1.0 . 4.56 371 275 A 33 THR HB A 32 VAL HGy% 1.0 . 5.50 372 276 A 32 VAL HGy% A 86 PRO HDy 1.0 . 5.50 373 277 A 34 VAL HB A 32 VAL HGy% 1.0 . 5.50 374 278 A 32 VAL HGy% A 93 ILE HG12 1.0 . 5.35 375 278 A 93 ILE HG13 A 32 VAL HGy% 1.0 . 5.35 376 279 A 53 VAL H A 61 VAL HGx% 1.0 . 4.83 377 280 A 84 LEU HDy% A 34 VAL HG1% 1.0 . 2.89 378 280 A 34 VAL HG2% A 84 LEU HDy% 1.0 . 2.89 379 281 A 33 THR HA A 33 THR HG2% 1.0 . 3.38 380 282 A 33 THR HG2% A 81 MET HGx 1.0 . 4.70 381 283 A 32 VAL HGx% A 33 THR HG2% 1.0 . 5.50 382 284 A 9 VAL HA A 9 VAL HGx% 1.0 . 3.91 383 285 A 70 VAL HA A 70 VAL HGx% 1.0 . 4.08 384 286 A 70 VAL HGx% A 69 PRO HA 1.0 . 3.68 385 287 A 69 PRO HA A 70 VAL HGy% 1.0 . 3.94 386 288 A 70 VAL H A 70 VAL HGy% 1.0 . 4.40 387 289 A 44 PRO HA A 70 VAL HGy% 1.0 . 5.07 388 290 A 70 VAL HA A 70 VAL HGy% 1.0 . 3.44 389 291 A 72 THR HG2% A 70 VAL HGy% 1.0 . 3.55 390 292 A 32 VAL HGx% A 25 ALA H 1.0 . 4.70 391 293 A 32 VAL HGx% A 86 PRO HGy 1.0 . 4.42 392 294 A 32 VAL HGx% A 34 VAL HG1% 1.0 . 4.17 393 294 A 34 VAL HG2% A 32 VAL HGx% 1.0 . 4.17 394 295 A 32 VAL HGx% A 93 ILE HG12 1.0 . 4.52 395 295 A 93 ILE HG13 A 32 VAL HGx% 1.0 . 4.52 396 296 A 9 VAL HA A 9 VAL HGy% 1.0 . 3.91 397 297 A 76 GLU HA A 39 ALA HB% 1.0 . 5.50 398 298 A 98 GLY H A 97 VAL HG1% 1.0 . 5.19 399 298 A 97 VAL HG2% A 98 GLY H 1.0 . 5.19 400 299 A 38 TYR HD% A 47 VAL HGy% 1.0 . 4.72 401 300 A 47 VAL H A 47 VAL HGy% 1.0 . 4.38 402 301 A 47 VAL HA A 47 VAL HGy% 1.0 . 3.57 403 302 A 98 GLY HAx A 97 VAL HG1% 1.0 . 5.22 404 302 A 97 VAL HG2% A 98 GLY HAx 1.0 . 5.22 405 303 A 66 THR HA A 67 ALA HB% 1.0 . 4.10 406 304 A 98 GLY HAy A 97 VAL HG1% 1.0 . 5.07 407 304 A 97 VAL HG2% A 98 GLY HAy 1.0 . 5.07 408 305 A 62 GLY H A 61 VAL HGy% 1.0 . 4.14 409 306 A 61 VAL H A 61 VAL HGy% 1.0 . 4.02 410 307 A 52 ALA HA A 61 VAL HGy% 1.0 . 4.79 411 308 A 61 VAL HA A 61 VAL HGy% 1.0 . 4.09 412 309 A 16 ALA H A 16 ALA HB% 1.0 . 3.33 413 310 A 39 ALA H A 16 ALA HB% 1.0 . 4.71 414 311 A 16 ALA HB% A 41 THR H 1.0 . 5.43 415 312 A 16 ALA HB% A 40 GLY HAy 1.0 . 3.58 416 313 A 16 ALA HB% A 40 GLY HAx 1.0 . 3.58 417 314 A 19 THR HA A 102 ILE HG2% 1.0 . 3.71 418 315 A 102 ILE HG2% A 18 PHE HB2 1.0 . 4.47 419 315 A 102 ILE HG2% A 18 PHE HB3 1.0 . 4.47 420 316 A 102 ILE HG2% A 95 ILE HB 1.0 . 4.27 421 317 A 102 ILE HG2% A 102 ILE HG12 1.0 . 2.91 422 317 A 102 ILE HG2% A 102 ILE HG13 1.0 . 2.91 423 318 A 102 ILE HG2% A 102 ILE H 1.0 . 3.81 424 319 A 102 ILE HG2% A 20 PHE HD% 1.0 . 5.38 425 320 A 36 VAL HGy% A 95 ILE HG2% 1.0 . 4.11 426 321 A 18 PHE HD% A 36 VAL HGy% 1.0 . 3.69 427 322 A 36 VAL HA A 36 VAL HGy% 1.0 . 4.25 428 323 A 35 GLU HA A 36 VAL HGy% 1.0 . 3.95 429 324 A 113 ILE HA A 113 ILE HG2% 1.0 . 4.23 430 325 A 93 ILE H A 93 ILE HG2% 1.0 . 4.76 431 326 A 94 VAL H A 93 ILE HG2% 1.0 . 3.76 432 327 A 93 ILE HA A 93 ILE HG2% 1.0 . 3.71 433 328 A 93 ILE HD1% A 93 ILE HG2% 1.0 . 2.87 434 329 A 95 ILE HD1% A 93 ILE HG2% 1.0 . 3.21 435 330 A 24 PRO HDy A 93 ILE HG2% 1.0 . 5.10 436 331 A 93 ILE HG2% A 95 ILE HG12 1.0 . 3.40 437 331 A 93 ILE HG2% A 95 ILE HG13 1.0 . 3.40 438 332 A 23 ILE HG2% A 104 HIS HE1 1.0 . 3.83 439 333 A 23 ILE HA A 23 ILE HG2% 1.0 . 3.35 440 334 A 24 PRO HDx A 23 ILE HG2% 1.0 . 3.72 441 335 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 3.66 442 336 A 71 ILE HG2% A 71 ILE HG12 1.0 . 3.08 443 336 A 71 ILE HG2% A 71 ILE HG13 1.0 . 3.08 444 337 A 65 ILE HG2% A 65 ILE HA 1.0 . 3.33 445 338 A 65 ILE HG2% A 65 ILE H 1.0 . 4.45 446 339 A 71 ILE HG2% A 72 THR H 1.0 . 3.70 447 340 A 73 GLU H A 71 ILE HG2% 1.0 . 3.58 448 341 A 24 PRO HDy A 23 ILE HG2% 1.0 . 4.54 449 342 A 18 PHE HD% A 95 ILE HG2% 1.0 . 4.03 450 343 A 49 ALA HA A 95 ILE HG2% 1.0 . 4.55 451 344 A 95 ILE HA A 95 ILE HG2% 1.0 . 3.49 452 345 A 95 ILE HG2% A 18 PHE HB2 1.0 . 3.73 453 345 A 18 PHE HB3 A 95 ILE HG2% 1.0 . 3.73 454 346 A 95 ILE HG2% A 95 ILE HG12 1.0 . 3.36 455 346 A 95 ILE HG2% A 95 ILE HG13 1.0 . 3.36 456 347 A 102 ILE HG2% A 95 ILE HG2% 1.0 . 4.69 457 348 A 36 VAL HGx% A 95 ILE HG2% 1.0 . 3.23 458 349 A 95 ILE HD1% A 95 ILE HG2% 1.0 . 3.05 459 350 A 102 ILE HD1% A 95 ILE HG2% 1.0 . 3.70 460 351 A 95 ILE HG2% A 50 GLN H 1.0 . 5.50 461 352 A 95 ILE HG2% A 48 PRO HD2 1.0 . 5.50 462 352 A 48 PRO HD3 A 95 ILE HG2% 1.0 . 5.50 463 353 A 93 ILE H A 93 ILE HD1% 1.0 . 4.65 464 354 A 93 ILE HD1% A 106 TRP HE3 1.0 . 4.35 465 355 A 93 ILE HA A 93 ILE HD1% 1.0 . 4.56 466 356 A 24 PRO HDy A 93 ILE HD1% 1.0 . 4.15 467 357 A 32 VAL HGx% A 93 ILE HD1% 1.0 . 3.78 468 358 A 32 VAL HGy% A 93 ILE HD1% 1.0 . 3.88 469 359 A 23 ILE HA A 23 ILE HD1% 1.0 . 4.21 470 360 A 24 PRO HDy A 23 ILE HD1% 1.0 . 5.50 471 361 A 23 ILE HB A 23 ILE HD1% 1.0 . 3.54 472 362 A 23 ILE HD1% A 23 ILE H 1.0 . 4.55 473 363 A 104 HIS HE1 A 23 ILE HD1% 1.0 . 5.10 474 364 A 113 ILE HA A 113 ILE HD1% 1.0 . 4.87 475 365 A 20 PHE HD% A 102 ILE HD1% 1.0 . 4.78 476 366 A 102 ILE HD1% A 102 ILE H 1.0 . 4.37 477 367 A 19 THR HA A 102 ILE HD1% 1.0 . 3.48 478 368 A 18 PHE HA A 102 ILE HD1% 1.0 . 5.17 479 369 A 64 LEU H A 65 ILE HD1% 1.0 . 5.45 480 370 A 65 ILE H A 65 ILE HD1% 1.0 . 4.71 481 371 A 84 LEU HA A 65 ILE HD1% 1.0 . 4.89 482 372 A 65 ILE HA A 65 ILE HD1% 1.0 . 3.49 483 373 A 85 ASP HBy A 65 ILE HD1% 1.0 . 4.15 484 374 A 85 ASP HBx A 65 ILE HD1% 1.0 . 3.50 485 375 A 20 PHE HA A 102 ILE HD1% 1.0 . 4.94 486 376 A 102 ILE HD1% A 18 PHE HB2 1.0 . 3.59 487 376 A 18 PHE HB3 A 102 ILE HD1% 1.0 . 3.59 488 377 A 102 ILE HB A 102 ILE HD1% 1.0 . 3.63 489 378 A 95 ILE HB A 102 ILE HD1% 1.0 . 4.29 490 379 A 102 ILE HD1% A 95 ILE HG12 1.0 . 3.78 491 379 A 102 ILE HD1% A 95 ILE HG13 1.0 . 3.78 492 380 A 102 ILE HG2% A 102 ILE HD1% 1.0 . 2.97 493 381 A 36 VAL HGx% A 102 ILE HD1% 1.0 . 3.50 494 382 A 49 ALA HA A 95 ILE HD1% 1.0 . 3.87 495 383 A 95 ILE HA A 95 ILE HD1% 1.0 . 3.65 496 384 A 36 VAL HB A 95 ILE HD1% 1.0 . 5.50 497 385 A 95 ILE HB A 95 ILE HD1% 1.0 . 4.22 498 386 A 95 ILE HD1% A 34 VAL HG1% 1.0 . 2.93 499 386 A 34 VAL HG2% A 95 ILE HD1% 1.0 . 2.93 500 387 A 96 GLY H A 95 ILE HD1% 1.0 . 4.80 501 388 A 71 ILE HD1% A 72 THR H 1.0 . 4.19 502 389 A 71 ILE HD1% A 38 TYR HD% 1.0 . 3.86 503 390 A 71 ILE HA A 71 ILE HD1% 1.0 . 3.41 504 391 A 71 ILE HD1% A 78 SER HB2 1.0 . 4.15 505 391 A 78 SER HB3 A 71 ILE HD1% 1.0 . 4.15 506 392 A 71 ILE HD1% A 71 ILE HB 1.0 . 3.77 507 393 A 71 ILE HG2% A 71 ILE HD1% 1.0 . 2.84 508 394 A 106 TRP H A 93 ILE HD1% 1.0 . 5.45 509 395 A 92 TYR HA A 106 TRP H 1.0 . 4.21 510 396 A 47 VAL H A 46 LYS HA 1.0 . 3.04 511 397 A 47 VAL H A 47 VAL HB 1.0 . 3.77 512 398 A 67 ALA H A 68 ASN H 1.0 . 4.03 513 399 A 67 ALA H A 66 THR H 1.0 . 4.81 514 400 A 66 THR HA A 67 ALA H 1.0 . 2.91 515 401 A 66 THR HB A 67 ALA H 1.0 . 4.59 516 402 A 67 ALA HB% A 67 ALA H 1.0 . 2.93 517 403 A 66 THR HG2% A 67 ALA H 1.0 . 3.60 518 404 A 39 ALA H A 38 TYR H 1.0 . 4.81 519 405 A 39 ALA H A 38 TYR HA 1.0 . 3.10 520 406 A 39 ALA H A 38 TYR HBy 1.0 . 5.50 521 407 A 39 ALA H A 38 TYR HBx 1.0 . 5.50 522 408 A 39 ALA H A 39 ALA HB% 1.0 . 3.05 523 409 A 20 PHE HE% A 95 ILE H 1.0 . 5.50 524 410 A 103 THR HA A 95 ILE H 1.0 . 4.88 525 411 A 94 VAL HA A 95 ILE H 1.0 . 2.92 526 412 A 95 ILE HB A 95 ILE H 1.0 . 3.73 527 413 A 95 ILE H A 95 ILE HG12 1.0 . 4.08 528 413 A 95 ILE HG13 A 95 ILE H 1.0 . 4.08 529 414 A 95 ILE H A 102 ILE HG12 1.0 . 4.21 530 414 A 102 ILE HG13 A 95 ILE H 1.0 . 4.21 531 415 A 102 ILE HG2% A 95 ILE H 1.0 . 4.79 532 416 A 95 ILE HG2% A 95 ILE H 1.0 . 4.51 533 417 A 49 ALA H A 50 GLN H 1.0 . 4.85 534 418 A 49 ALA H A 48 PRO HA 1.0 . 2.76 535 419 A 49 ALA H A 48 PRO HBx 1.0 . 4.24 536 420 A 49 ALA H A 48 PRO HBy 1.0 . 4.42 537 421 A 49 ALA H A 49 ALA HB% 1.0 . 3.36 538 422 A 15 THR H A 16 ALA H 1.0 . 3.49 539 423 A 108 ARG H A 109 SER HB2 1.0 . 5.19 540 423 A 109 SER HB3 A 108 ARG H 1.0 . 5.19 541 424 A 108 ARG H A 90 ASP H 1.0 . 5.50 542 425 A 107 HIS HA A 108 ARG H 1.0 . 3.23 543 426 A 108 ARG H A 90 ASP HB2 1.0 . 4.45 544 426 A 90 ASP HB3 A 108 ARG H 1.0 . 4.45 545 427 A 90 ASP HA A 108 ARG H 1.0 . 4.54 546 428 A 94 VAL HB A 94 VAL H 1.0 . 3.47 547 429 A 51 MET HA A 94 VAL H 1.0 . 4.00 548 430 A 93 ILE HA A 94 VAL H 1.0 . 3.04 549 431 A 94 VAL H A 95 ILE HD1% 1.0 . 4.65 550 432 A 65 ILE H A 84 LEU HA 1.0 . 3.93 551 433 A 66 THR HG2% A 65 ILE H 1.0 . 5.31 552 434 A 95 ILE HA A 94 VAL H 1.0 . 5.50 553 435 A 70 VAL HA A 71 ILE H 1.0 . 3.14 554 436 A 71 ILE HB A 71 ILE H 1.0 . 3.38 555 437 A 71 ILE H A 71 ILE HG12 1.0 . 4.04 556 437 A 71 ILE HG13 A 71 ILE H 1.0 . 4.04 557 438 A 71 ILE HG2% A 71 ILE H 1.0 . 4.05 558 439 A 70 VAL HGx% A 71 ILE H 1.0 . 4.81 559 440 A 71 ILE HD1% A 71 ILE H 1.0 . 4.97 560 441 A 70 VAL HGy% A 71 ILE H 1.0 . 3.79 561 442 A 70 VAL HB A 71 ILE H 1.0 . 4.35 562 443 A 39 ALA HB% A 38 TYR H 1.0 . 5.41 563 444 A 79 LYS HA A 38 TYR H 1.0 . 4.13 564 445 A 37 GLN HA A 38 TYR H 1.0 . 3.02 565 446 A 38 TYR H A 38 TYR HBy 1.0 . 3.90 566 447 A 38 TYR H A 38 TYR HBx 1.0 . 3.90 567 448 A 71 ILE HD1% A 38 TYR H 1.0 . 5.08 568 449 A 34 VAL HA A 35 GLU H 1.0 . 3.09 569 450 A 35 GLU H A 34 VAL HG1% 1.0 . 3.86 570 450 A 34 VAL HG2% A 35 GLU H 1.0 . 3.86 571 451 A 84 LEU H A 83 GLU H 1.0 . 5.38 572 452 A 84 LEU H A 83 GLU HA 1.0 . 3.02 573 453 A 32 VAL HGx% A 84 LEU H 1.0 . 4.36 574 454 A 38 TYR H A 78 SER HB2 1.0 . 5.50 575 454 A 78 SER HB3 A 38 TYR H 1.0 . 5.50 576 455 A 21 THR HG2% A 38 TYR H 1.0 . 5.50 577 456 A 71 ILE HG2% A 38 TYR H 1.0 . 5.50 578 457 A 20 PHE HD% A 35 GLU H 1.0 . 5.26 579 458 A 113 ILE HG2% A 115 LYS H 1.0 . 5.50 580 459 A 113 ILE HD1% A 115 LYS H 1.0 . 5.50 581 460 A 113 ILE HA A 115 LYS H 1.0 . 5.21 582 461 A 90 ASP H A 89 GLY HAy 1.0 . 3.48 583 462 A 90 ASP H A 89 GLY HAx 1.0 . 3.48 584 463 A 90 ASP H A 90 ASP HB2 1.0 . 3.27 585 463 A 90 ASP HB3 A 90 ASP H 1.0 . 3.27 586 464 A 108 ARG HA A 109 SER H 1.0 . 3.34 587 465 A 109 SER H A 109 SER HB2 1.0 . 3.48 588 465 A 109 SER HB3 A 109 SER H 1.0 . 3.48 589 466 A 109 SER H A 108 ARG HG2 1.0 . 4.99 590 466 A 109 SER H A 108 ARG HG3 1.0 . 4.99 591 467 A 70 VAL H A 69 PRO HA 1.0 . 2.83 592 468 A 70 VAL H A 69 PRO HBy 1.0 . 4.46 593 469 A 70 VAL H A 69 PRO HBx 1.0 . 4.46 594 470 A 70 VAL H A 70 VAL HGx% 1.0 . 3.58 595 471 A 25 ALA H A 33 THR H 1.0 . 3.87 596 472 A 24 PRO HA A 25 ALA H 1.0 . 2.84 597 473 A 25 ALA HB% A 25 ALA H 1.0 . 3.17 598 474 A 32 VAL HGy% A 25 ALA H 1.0 . 4.53 599 475 A 25 ALA H A 26 GLU H 1.0 . 5.36 600 476 A 26 GLU H A 106 TRP HH2 1.0 . 3.91 601 477 A 25 ALA HA A 26 GLU H 1.0 . 2.88 602 478 A 26 GLU H A 26 GLU HB2 1.0 . 3.01 603 478 A 26 GLU HB3 A 26 GLU H 1.0 . 3.01 604 479 A 25 ALA HB% A 26 GLU H 1.0 . 3.41 605 480 A 32 VAL HGx% A 26 GLU H 1.0 . 5.50 606 481 A 104 HIS H A 93 ILE H 1.0 . 3.83 607 482 A 92 TYR HA A 93 ILE H 1.0 . 3.28 608 483 A 93 ILE H A 92 TYR HB2 1.0 . 4.58 609 483 A 92 TYR HB3 A 93 ILE H 1.0 . 4.58 610 484 A 93 ILE H A 93 ILE HG12 1.0 . 4.72 611 484 A 93 ILE HG13 A 93 ILE H 1.0 . 4.72 612 485 A 13 LEU HA A 14 CYS H 1.0 . 3.02 613 486 A 81 MET H A 81 MET HB2 1.0 . 2.91 614 486 A 81 MET HB3 A 81 MET H 1.0 . 2.91 615 487 A 106 TRP HA A 107 HIS H 1.0 . 3.43 616 488 A 107 HIS H A 90 ASP HB2 1.0 . 4.72 617 488 A 90 ASP HB3 A 107 HIS H 1.0 . 4.72 618 489 A 81 MET H A 82 LEU H 1.0 . 5.06 619 490 A 82 LEU H A 83 GLU H 1.0 . 5.39 620 491 A 33 THR HB A 82 LEU H 1.0 . 5.50 621 492 A 82 LEU H A 81 MET HA 1.0 . 2.85 622 493 A 82 LEU H A 81 MET HGx 1.0 . 4.43 623 494 A 82 LEU H A 81 MET HB2 1.0 . 3.81 624 494 A 81 MET HB3 A 82 LEU H 1.0 . 3.81 625 495 A 82 LEU HG A 82 LEU H 1.0 . 4.25 626 496 A 82 LEU H A 82 LEU HD1% 1.0 . 4.30 627 496 A 82 LEU HD2% A 82 LEU H 1.0 . 4.30 628 497 A 93 ILE HA A 52 ALA H 1.0 . 5.17 629 498 A 51 MET HA A 52 ALA H 1.0 . 3.07 630 499 A 52 ALA H A 92 TYR HB2 1.0 . 4.48 631 499 A 92 TYR HB3 A 52 ALA H 1.0 . 4.48 632 500 A 52 ALA H A 51 MET HG2 1.0 . 4.37 633 500 A 51 MET HG3 A 52 ALA H 1.0 . 4.37 634 501 A 112 THR H A 113 ILE H 1.0 . 3.22 635 502 A 113 ILE H A 113 ILE HB 1.0 . 3.60 636 503 A 112 THR HG2% A 113 ILE H 1.0 . 4.48 637 504 A 113 ILE H A 113 ILE HG1x 1.0 . 4.84 638 505 A 113 ILE H A 114 GLY H 1.0 . 4.53 639 506 A 113 ILE H A 113 ILE HG1y 1.0 . 4.84 640 507 A 113 ILE HG2% A 113 ILE H 1.0 . 4.68 641 508 A 76 GLU H A 75 THR H 1.0 . 4.62 642 509 A 76 GLU H A 75 THR HA 1.0 . 2.83 643 510 A 76 GLU H A 76 GLU HB2 1.0 . 3.12 644 510 A 76 GLU H A 76 GLU HB3 1.0 . 3.12 645 511 A 76 GLU H A 77 ASN H 1.0 . 4.85 646 512 A 13 LEU H A 12 SER HA 1.0 . 2.88 647 513 A 13 LEU H A 12 SER HBy 1.0 . 3.89 648 514 A 85 ASP H A 63 ARG H 1.0 . 4.38 649 515 A 85 ASP H A 84 LEU HA 1.0 . 3.37 650 516 A 85 ASP H A 85 ASP HBy 1.0 . 3.76 651 517 A 85 ASP H A 85 ASP HBx 1.0 . 4.00 652 518 A 85 ASP H A 84 LEU HBx 1.0 . 5.04 653 519 A 85 ASP H A 65 ILE H 1.0 . 5.04 654 520 A 13 LEU H A 12 SER HBx 1.0 . 3.89 655 521 A 13 LEU H A 13 LEU HDy% 1.0 . 4.28 656 522 A 23 ILE H A 21 THR H 1.0 . 5.50 657 523 A 11 TYR H A 12 SER H 1.0 . 4.77 658 524 A 6 LEU HA A 7 LYS H 1.0 . 3.45 659 525 A 24 PRO HDy A 23 ILE H 1.0 . 4.92 660 526 A 11 TYR HA A 11 TYR H 1.0 . 2.94 661 527 A 10 SER HA A 11 TYR H 1.0 . 3.13 662 528 A 11 TYR H A 10 SER HB2 1.0 . 4.26 663 528 A 10 SER HB3 A 11 TYR H 1.0 . 4.26 664 529 A 11 TYR H A 10 SER H 1.0 . 4.13 665 530 A 23 ILE H A 23 ILE HG1x 1.0 . 3.76 666 531 A 23 ILE HG2% A 23 ILE H 1.0 . 3.96 667 532 A 22 LYS H A 23 ILE H 1.0 . 5.25 668 533 A 23 ILE HB A 23 ILE H 1.0 . 2.98 669 534 A 23 ILE H A 23 ILE HG1y 1.0 . 3.76 670 535 A 20 PHE HD% A 20 PHE H 1.0 . 3.96 671 536 A 19 THR HA A 20 PHE H 1.0 . 2.90 672 537 A 20 PHE HBx A 20 PHE H 1.0 . 3.29 673 538 A 36 VAL HGx% A 20 PHE H 1.0 . 5.07 674 539 A 102 ILE HD1% A 20 PHE H 1.0 . 3.56 675 540 A 45 CYS HA A 46 LYS H 1.0 . 3.15 676 541 A 102 ILE HG2% A 20 PHE H 1.0 . 5.34 677 542 A 20 PHE H A 19 THR HB 1.0 . 3.70 678 543 A 19 THR HG2% A 20 PHE H 1.0 . 3.73 679 544 A 66 THR HA A 83 GLU H 1.0 . 5.09 680 545 A 46 LYS H A 46 LYS HBy 1.0 . 3.62 681 546 A 46 LYS H A 45 CYS HB2 1.0 . 3.45 682 546 A 46 LYS H A 45 CYS HB3 1.0 . 3.45 683 547 A 46 LYS H A 46 LYS HBx 1.0 . 3.62 684 548 A 82 LEU HA A 83 GLU H 1.0 . 3.12 685 549 A 66 THR HB A 83 GLU H 1.0 . 4.87 686 550 A 83 GLU H A 83 GLU HB2 1.0 . 3.70 687 550 A 83 GLU H A 83 GLU HB3 1.0 . 3.70 688 551 A 83 GLU H A 82 LEU HBy 1.0 . 4.28 689 552 A 66 THR HG2% A 83 GLU H 1.0 . 4.22 690 553 A 83 GLU H A 82 LEU HBx 1.0 . 4.28 691 554 A 82 LEU HG A 83 GLU H 1.0 . 5.16 692 555 A 83 GLU H A 34 VAL H 1.0 . 5.50 693 556 A 33 THR HB A 34 VAL H 1.0 . 3.75 694 557 A 34 VAL HB A 34 VAL H 1.0 . 3.95 695 558 A 33 THR HG2% A 34 VAL H 1.0 . 4.25 696 559 A 34 VAL H A 34 VAL HG1% 1.0 . 3.54 697 559 A 34 VAL HG2% A 34 VAL H 1.0 . 3.54 698 560 A 33 THR HA A 34 VAL H 1.0 . 2.89 699 561 A 82 LEU H A 34 VAL H 1.0 . 3.56 700 562 A 103 THR HA A 104 HIS H 1.0 . 3.11 701 563 A 103 THR HB A 104 HIS H 1.0 . 3.86 702 564 A 104 HIS H A 93 ILE HD1% 1.0 . 5.21 703 565 A 54 ASP HA A 55 MET H 1.0 . 3.23 704 566 A 20 PHE HZ A 104 HIS H 1.0 . 4.90 705 567 A 104 HIS H A 92 TYR HE% 1.0 . 5.49 706 568 A 104 HIS H A 92 TYR HB2 1.0 . 5.33 707 568 A 92 TYR HB3 A 104 HIS H 1.0 . 5.33 708 569 A 103 THR HG2% A 104 HIS H 1.0 . 4.47 709 570 A 5 ARG H A 5 ARG HG2 1.0 . 5.50 710 570 A 5 ARG HG3 A 5 ARG H 1.0 . 5.50 711 571 A 27 THR HB A 28 LEU H 1.0 . 3.49 712 572 A 28 LEU H A 28 LEU HBx 1.0 . 3.87 713 573 A 27 THR HG2% A 28 LEU H 1.0 . 4.91 714 574 A 101 LYS H A 101 LYS HE2 1.0 . 5.49 715 574 A 101 LYS H A 101 LYS HE3 1.0 . 5.49 716 575 A 28 LEU H A 28 LEU HBy 1.0 . 3.87 717 576 A 99 GLU H A 101 LYS H 1.0 . 4.84 718 577 A 101 LYS H A 102 ILE H 1.0 . 5.28 719 578 A 101 LYS H A 100 LYS H 1.0 . 3.21 720 579 A 99 GLU HA A 101 LYS H 1.0 . 4.74 721 580 A 101 LYS H A 101 LYS HD2 1.0 . 4.21 722 580 A 101 LYS HD3 A 101 LYS H 1.0 . 4.21 723 581 A 101 LYS H A 101 LYS HG2 1.0 . 3.98 724 581 A 101 LYS HG3 A 101 LYS H 1.0 . 3.98 725 582 A 79 LYS H A 78 SER HA 1.0 . 3.00 726 583 A 79 LYS H A 78 SER HB2 1.0 . 3.62 727 583 A 78 SER HB3 A 79 LYS H 1.0 . 3.62 728 584 A 79 LYS H A 79 LYS HB2 1.0 . 3.18 729 584 A 79 LYS H A 79 LYS HB3 1.0 . 3.18 730 585 A 80 MET HA A 79 LYS H 1.0 . 5.25 731 586 A 18 PHE HA A 37 GLN H 1.0 . 5.01 732 587 A 18 PHE HD% A 37 GLN H 1.0 . 4.81 733 588 A 36 VAL HA A 37 GLN H 1.0 . 3.11 734 589 A 36 VAL HB A 37 GLN H 1.0 . 3.60 735 590 A 36 VAL HGy% A 37 GLN H 1.0 . 4.25 736 591 A 73 GLU H A 73 GLU HG2 1.0 . 3.89 737 591 A 73 GLU H A 73 GLU HG3 1.0 . 3.89 738 592 A 73 GLU H A 73 GLU HBx 1.0 . 3.81 739 593 A 37 GLN H A 19 THR HB 1.0 . 5.28 740 594 A 73 GLU H A 72 THR HG2% 1.0 . 4.73 741 595 A 22 LYS H A 21 THR H 1.0 . 2.93 742 596 A 36 VAL HA A 22 LYS H 1.0 . 4.65 743 597 A 20 PHE HA A 22 LYS H 1.0 . 4.14 744 598 A 20 PHE HBy A 22 LYS H 1.0 . 4.09 745 599 A 22 LYS H A 35 GLU H 1.0 . 4.12 746 600 A 54 ASP H A 55 MET H 1.0 . 5.50 747 601 A 54 ASP H A 53 VAL H 1.0 . 3.39 748 602 A 52 ALA HA A 54 ASP H 1.0 . 4.74 749 603 A 53 VAL HB A 54 ASP H 1.0 . 4.19 750 604 A 10 SER H A 9 VAL HB 1.0 . 4.37 751 605 A 9 VAL HA A 10 SER H 1.0 . 3.17 752 606 A 10 SER H A 10 SER HB2 1.0 . 3.75 753 606 A 10 SER HB3 A 10 SER H 1.0 . 3.75 754 607 A 42 ASP H A 43 GLY H 1.0 . 3.69 755 608 A 41 THR H A 42 ASP H 1.0 . 3.23 756 609 A 42 ASP H A 42 ASP HBy 1.0 . 3.89 757 610 A 42 ASP H A 42 ASP HBx 1.0 . 3.89 758 611 A 17 ALA HA A 18 PHE H 1.0 . 2.90 759 612 A 18 PHE H A 18 PHE HB2 1.0 . 3.42 760 612 A 18 PHE HB3 A 18 PHE H 1.0 . 3.42 761 613 A 17 ALA HB% A 18 PHE H 1.0 . 3.46 762 614 A 18 PHE H A 17 ALA H 1.0 . 5.11 763 615 A 102 ILE HD1% A 18 PHE H 1.0 . 5.25 764 616 A 16 ALA H A 17 ALA H 1.0 . 4.83 765 617 A 59 THR H A 58 LEU H 1.0 . 3.85 766 618 A 16 ALA HB% A 18 PHE H 1.0 . 5.50 767 619 A 9 VAL HB A 9 VAL H 1.0 . 3.83 768 620 A 17 ALA HB% A 17 ALA H 1.0 . 2.81 769 621 A 16 ALA HB% A 17 ALA H 1.0 . 3.11 770 622 A 58 LEU H A 58 LEU HB2 1.0 . 4.10 771 622 A 58 LEU H A 58 LEU HB3 1.0 . 4.10 772 623 A 9 VAL H A 8 GLY HA2 1.0 . 3.19 773 623 A 9 VAL H A 8 GLY HA3 1.0 . 3.19 774 624 A 57 THR HB A 58 LEU H 1.0 . 4.87 775 625 A 52 ALA HB% A 58 LEU H 1.0 . 4.57 776 626 A 57 THR HG2% A 58 LEU H 1.0 . 4.92 777 627 A 79 LYS HA A 80 MET H 1.0 . 2.87 778 628 A 35 GLU HA A 80 MET H 1.0 . 4.23 779 629 A 80 MET H A 79 LYS HB2 1.0 . 3.41 780 629 A 79 LYS HB3 A 80 MET H 1.0 . 3.41 781 630 A 36 VAL HGy% A 80 MET H 1.0 . 4.48 782 631 A 56 GLN H A 58 LEU H 1.0 . 4.59 783 632 A 56 GLN H A 54 ASP HA 1.0 . 4.44 784 633 A 56 GLN H A 56 GLN HB2 1.0 . 3.16 785 633 A 56 GLN HB3 A 56 GLN H 1.0 . 3.16 786 634 A 102 ILE H A 101 LYS HG2 1.0 . 3.92 787 634 A 101 LYS HG3 A 102 ILE H 1.0 . 3.92 788 635 A 32 VAL HA A 33 THR H 1.0 . 2.99 789 636 A 33 THR HG2% A 33 THR H 1.0 . 3.66 790 637 A 32 VAL HGx% A 33 THR H 1.0 . 4.02 791 638 A 32 VAL HGy% A 33 THR H 1.0 . 3.94 792 639 A 26 GLU HA A 33 THR H 1.0 . 5.04 793 640 A 101 LYS HA A 102 ILE H 1.0 . 3.11 794 641 A 27 THR HG2% A 27 THR H 1.0 . 3.40 795 642 A 11 TYR HA A 12 SER H 1.0 . 2.73 796 643 A 12 SER H A 12 SER HBy 1.0 . 3.89 797 644 A 12 SER H A 12 SER HBx 1.0 . 3.89 798 645 A 27 THR H A 26 GLU HGx 1.0 . 4.12 799 646 A 26 GLU HA A 27 THR H 1.0 . 3.15 800 647 A 32 VAL HGy% A 27 THR H 1.0 . 5.50 801 648 A 88 PHE H A 88 PHE HD% 1.0 . 3.86 802 649 A 88 PHE H A 87 PRO HA 1.0 . 2.96 803 650 A 88 PHE H A 88 PHE HBy 1.0 . 3.79 804 651 A 88 PHE H A 88 PHE HBx 1.0 . 3.79 805 652 A 88 PHE H A 87 PRO HB2 1.0 . 3.26 806 652 A 87 PRO HB3 A 88 PHE H 1.0 . 3.26 807 653 A 35 GLU HA A 36 VAL H 1.0 . 2.85 808 654 A 36 VAL H A 35 GLU HGy 1.0 . 4.21 809 655 A 36 VAL HGy% A 36 VAL H 1.0 . 3.14 810 656 A 21 THR HG2% A 36 VAL H 1.0 . 5.03 811 657 A 52 ALA HB% A 53 VAL H 1.0 . 3.87 812 658 A 44 PRO HA A 45 CYS H 1.0 . 2.92 813 659 A 45 CYS H A 43 GLY HAy 1.0 . 4.31 814 660 A 45 CYS H A 43 GLY HAx 1.0 . 4.31 815 661 A 54 ASP HA A 53 VAL H 1.0 . 5.32 816 662 A 53 VAL H A 61 VAL HGy% 1.0 . 4.83 817 663 A 52 ALA HA A 53 VAL H 1.0 . 3.37 818 664 A 53 VAL HB A 53 VAL H 1.0 . 3.81 819 665 A 76 GLU HA A 77 ASN H 1.0 . 3.16 820 666 A 77 ASN H A 76 GLU HB2 1.0 . 3.77 821 666 A 76 GLU HB3 A 77 ASN H 1.0 . 3.77 822 667 A 39 ALA HB% A 77 ASN H 1.0 . 4.90 823 668 A 77 ASN H A 78 SER H 1.0 . 3.84 824 669 A 84 LEU H A 32 VAL H 1.0 . 3.67 825 670 A 32 VAL HB A 32 VAL H 1.0 . 3.50 826 671 A 32 VAL HGx% A 32 VAL H 1.0 . 4.03 827 672 A 73 GLU H A 72 THR H 1.0 . 3.44 828 673 A 71 ILE HA A 72 THR H 1.0 . 2.85 829 674 A 72 THR H A 73 GLU HG2 1.0 . 5.21 830 674 A 73 GLU HG3 A 72 THR H 1.0 . 5.21 831 675 A 90 ASP HA A 91 SER H 1.0 . 3.08 832 676 A 91 SER H A 90 ASP HB2 1.0 . 3.99 833 676 A 90 ASP HB3 A 91 SER H 1.0 . 3.99 834 677 A 51 MET H A 61 VAL H 1.0 . 4.71 835 678 A 77 ASN HA A 78 SER H 1.0 . 3.44 836 679 A 78 SER H A 78 SER HB2 1.0 . 3.38 837 679 A 78 SER HB3 A 78 SER H 1.0 . 3.38 838 680 A 71 ILE HG2% A 78 SER H 1.0 . 5.37 839 681 A 85 ASP HBy A 63 ARG H 1.0 . 4.20 840 682 A 61 VAL H A 60 PRO HA 1.0 . 3.36 841 683 A 99 GLU H A 100 LYS H 1.0 . 4.35 842 684 A 100 LYS H A 100 LYS HBy 1.0 . 3.74 843 685 A 100 LYS H A 100 LYS HBx 1.0 . 3.74 844 686 A 100 LYS H A 100 LYS HG2 1.0 . 4.33 845 686 A 100 LYS HG3 A 100 LYS H 1.0 . 4.33 846 687 A 100 LYS H A 101 LYS HG2 1.0 . 5.10 847 687 A 101 LYS HG3 A 100 LYS H 1.0 . 5.10 848 688 A 112 THR H A 111 SER HB2 1.0 . 4.74 849 688 A 112 THR H A 111 SER HB3 1.0 . 4.74 850 689 A 112 THR HG2% A 112 THR H 1.0 . 4.88 851 690 A 95 ILE HD1% A 50 GLN H 1.0 . 4.08 852 691 A 94 VAL H A 50 GLN H 1.0 . 3.89 853 692 A 49 ALA HA A 50 GLN H 1.0 . 2.87 854 693 A 94 VAL HB A 50 GLN H 1.0 . 5.24 855 694 A 49 ALA HB% A 50 GLN H 1.0 . 3.84 856 695 A 65 ILE H A 66 THR H 1.0 . 3.19 857 696 A 66 THR HB A 66 THR H 1.0 . 3.36 858 697 A 66 THR H A 83 GLU HB2 1.0 . 3.77 859 697 A 66 THR H A 83 GLU HB3 1.0 . 3.77 860 698 A 65 ILE HB A 66 THR H 1.0 . 3.55 861 699 A 66 THR HG2% A 66 THR H 1.0 . 4.06 862 700 A 83 GLU H A 66 THR H 1.0 . 3.97 863 701 A 36 VAL HA A 21 THR H 1.0 . 3.54 864 702 A 20 PHE HA A 21 THR H 1.0 . 3.05 865 703 A 20 PHE HBy A 21 THR H 1.0 . 4.19 866 704 A 21 THR HG2% A 21 THR H 1.0 . 3.55 867 705 A 36 VAL HGx% A 21 THR H 1.0 . 4.22 868 706 A 67 ALA HB% A 68 ASN H 1.0 . 3.88 869 707 A 66 THR HG2% A 68 ASN H 1.0 . 4.21 870 708 A 75 THR HG2% A 74 SER H 1.0 . 4.81 871 709 A 73 GLU H A 74 SER H 1.0 . 4.97 872 710 A 73 GLU HA A 74 SER H 1.0 . 3.05 873 711 A 74 SER H A 74 SER HB2 1.0 . 4.04 874 711 A 74 SER H A 74 SER HB3 1.0 . 4.04 875 712 A 73 GLU HBy A 74 SER H 1.0 . 4.02 876 713 A 111 SER H A 111 SER HB2 1.0 . 4.05 877 713 A 111 SER HB3 A 111 SER H 1.0 . 4.05 878 714 A 92 TYR HD% A 92 TYR H 1.0 . 4.04 879 715 A 91 SER HA A 92 TYR H 1.0 . 3.43 880 716 A 92 TYR H A 91 SER HBy 1.0 . 4.11 881 717 A 92 TYR H A 91 SER HBx 1.0 . 4.11 882 718 A 92 TYR H A 92 TYR HB2 1.0 . 3.66 883 718 A 92 TYR HB3 A 92 TYR H 1.0 . 3.66 884 719 A 15 THR H A 16 ALA HB% 1.0 . 4.91 885 720 A 15 THR H A 14 CYS HA 1.0 . 3.29 886 721 A 113 ILE HG2% A 114 GLY H 1.0 . 5.20 887 722 A 113 ILE HD1% A 114 GLY H 1.0 . 5.50 888 723 A 115 LYS H A 114 GLY H 1.0 . 5.50 889 724 A 113 ILE HA A 114 GLY H 1.0 . 3.50 890 725 A 28 LEU H A 29 HIS H 1.0 . 4.70 891 726 A 27 THR HB A 29 HIS H 1.0 . 4.14 892 727 A 31 THR HG2% A 29 HIS H 1.0 . 5.22 893 728 A 96 GLY H A 48 PRO HD2 1.0 . 4.71 894 728 A 48 PRO HD3 A 96 GLY H 1.0 . 4.71 895 729 A 95 ILE HA A 96 GLY H 1.0 . 3.17 896 730 A 96 GLY H A 48 PRO HBx 1.0 . 4.36 897 731 A 96 GLY H A 95 ILE HG2% 1.0 . 3.73 898 732 A 73 GLU HA A 75 THR H 1.0 . 4.43 899 733 A 75 THR H A 73 GLU HG2 1.0 . 5.00 900 733 A 73 GLU HG3 A 75 THR H 1.0 . 5.00 901 734 A 73 GLU HBx A 75 THR H 1.0 . 4.67 902 735 A 97 VAL H A 48 PRO HD2 1.0 . 5.50 903 735 A 48 PRO HD3 A 97 VAL H 1.0 . 5.50 904 736 A 74 SER H A 75 THR H 1.0 . 3.45 905 737 A 75 THR HB A 75 THR H 1.0 . 4.20 906 738 A 73 GLU HBy A 75 THR H 1.0 . 3.51 907 739 A 96 GLY H A 97 VAL HG1% 1.0 . 4.44 908 739 A 97 VAL HG2% A 96 GLY H 1.0 . 4.44 909 740 A 18 PHE HD% A 97 VAL H 1.0 . 5.50 910 741 A 97 VAL H A 96 GLY HAy 1.0 . 3.31 911 742 A 97 VAL H A 96 GLY HAx 1.0 . 3.31 912 743 A 97 VAL HB A 97 VAL H 1.0 . 3.97 913 744 A 97 VAL H A 97 VAL HG1% 1.0 . 3.13 914 744 A 97 VAL HG2% A 97 VAL H 1.0 . 3.13 915 745 A 95 ILE HG2% A 97 VAL H 1.0 . 5.50 916 746 A 102 ILE HD1% A 103 THR H 1.0 . 4.87 917 747 A 102 ILE H A 103 THR H 1.0 . 4.73 918 748 A 104 HIS H A 103 THR H 1.0 . 5.09 919 749 A 102 ILE HA A 103 THR H 1.0 . 2.84 920 750 A 102 ILE HB A 103 THR H 1.0 . 3.44 921 751 A 103 THR H A 102 ILE HG12 1.0 . 4.07 922 751 A 102 ILE HG13 A 103 THR H 1.0 . 4.07 923 752 A 102 ILE HG2% A 103 THR H 1.0 . 4.11 924 753 A 89 GLY H A 88 PHE HBx 1.0 . 4.57 925 754 A 108 ARG H A 89 GLY H 1.0 . 4.70 926 755 A 88 PHE HD% A 89 GLY H 1.0 . 4.90 927 756 A 88 PHE HA A 89 GLY H 1.0 . 3.09 928 757 A 89 GLY H A 88 PHE HBy 1.0 . 4.57 929 758 A 21 THR HA A 37 GLN HE22 1.0 . 5.38 930 759 A 98 GLY H A 101 LYS HE2 1.0 . 4.94 931 759 A 101 LYS HE3 A 98 GLY H 1.0 . 4.94 932 760 A 21 THR HA A 37 GLN HE21 1.0 . 5.38 933 761 A 97 VAL HA A 98 GLY H 1.0 . 3.07 934 762 A 97 VAL HB A 98 GLY H 1.0 . 3.41 935 763 A 98 GLY H A 101 LYS HG2 1.0 . 3.78 936 763 A 101 LYS HG3 A 98 GLY H 1.0 . 3.78 937 764 A 98 GLY H A 101 LYS HD2 1.0 . 4.49 938 764 A 101 LYS HD3 A 98 GLY H 1.0 . 4.49 939 765 A 7 LYS HBx A 8 GLY H 1.0 . 5.50 940 766 A 8 GLY H A 7 LYS HBy 1.0 . 5.50 941 767 A 57 THR H A 58 LEU HB2 1.0 . 5.36 942 767 A 57 THR H A 58 LEU HB3 1.0 . 5.36 943 768 A 56 GLN H A 57 THR H 1.0 . 3.13 944 769 A 57 THR H A 58 LEU HA 1.0 . 5.50 945 770 A 57 THR H A 56 GLN HB2 1.0 . 3.43 946 770 A 56 GLN HB3 A 57 THR H 1.0 . 3.43 947 771 A 57 THR HG2% A 57 THR H 1.0 . 3.46 948 772 A 18 PHE HD% A 19 THR H 1.0 . 4.77 949 773 A 19 THR HG2% A 19 THR H 1.0 . 4.27 950 774 A 102 ILE HD1% A 19 THR H 1.0 . 4.60 951 775 A 37 GLN H A 19 THR H 1.0 . 3.60 952 776 A 18 PHE HA A 19 THR H 1.0 . 3.15 953 777 A 19 THR H A 18 PHE HB2 1.0 . 3.59 954 777 A 18 PHE HB3 A 19 THR H 1.0 . 3.59 955 778 A 36 VAL HB A 19 THR H 1.0 . 4.55 956 779 A 30 GLY H A 31 THR H 1.0 . 3.62 957 780 A 43 GLY H A 41 THR HG2% 1.0 . 5.50 958 781 A 71 ILE HG2% A 43 GLY H 1.0 . 5.50 959 782 A 29 HIS H A 30 GLY H 1.0 . 3.56 960 783 A 31 THR HG2% A 30 GLY H 1.0 . 5.50 961 784 A 43 GLY H A 42 ASP HBy 1.0 . 5.47 962 785 A 43 GLY H A 42 ASP HBx 1.0 . 5.47 963 786 A 50 GLN HE22 A 60 PRO HA 1.0 . 4.83 964 787 A 50 GLN HE21 A 60 PRO HA 1.0 . 4.83 965 788 A 62 GLY H A 61 VAL H 1.0 . 5.35 966 789 A 61 VAL HA A 62 GLY H 1.0 . 3.28 967 790 A 41 THR H A 41 THR HG2% 1.0 . 3.97 968 791 A 92 TYR HD% A 105 HIS HA 1.0 . 3.99 969 792 A 11 TYR HA A 11 TYR HD% 1.0 . 3.08 970 793 A 103 THR HB A 92 TYR HD% 1.0 . 4.07 971 794 A 11 TYR H A 11 TYR HD% 1.0 . 4.10 972 795 A 18 PHE HD% A 36 VAL HB 1.0 . 4.12 973 796 A 12 SER H A 11 TYR HD% 1.0 . 3.91 974 797 A 18 PHE HD% A 18 PHE H 1.0 . 3.67 975 798 A 20 PHE HD% A 21 THR H 1.0 . 4.90 976 799 A 88 PHE HA A 88 PHE HD% 1.0 . 4.23 977 800 A 20 PHE HE% A 24 PRO HDy 1.0 . 5.36 978 801 A 88 PHE HD% A 87 PRO HB2 1.0 . 4.03 979 801 A 87 PRO HB3 A 88 PHE HD% 1.0 . 4.03 980 802 A 20 PHE HE% A 95 ILE HD1% 1.0 . 3.94 981 803 A 20 PHE HE% A 95 ILE HG12 1.0 . 4.20 982 803 A 20 PHE HE% A 95 ILE HG13 1.0 . 4.20 983 804 A 20 PHE HE% A 102 ILE HG12 1.0 . 4.76 984 804 A 20 PHE HE% A 102 ILE HG13 1.0 . 4.76 985 805 A 47 VAL HA A 38 TYR HD% 1.0 . 5.28 986 806 A 102 ILE HB A 20 PHE HE% 1.0 . 4.22 987 807 A 20 PHE HE% A 34 VAL HG1% 1.0 . 3.58 988 807 A 34 VAL HG2% A 20 PHE HE% 1.0 . 3.58 989 808 A 20 PHE HE% A 36 VAL HGx% 1.0 . 3.97 990 809 A 20 PHE HZ A 102 ILE HD1% 1.0 . 3.91 991 810 A 20 PHE HZ A 93 ILE HG2% 1.0 . 4.01 992 811 A 20 PHE HZ A 95 ILE HG12 1.0 . 4.23 993 811 A 20 PHE HZ A 95 ILE HG13 1.0 . 4.23 994 812 A 20 PHE HZ A 102 ILE HG12 1.0 . 4.46 995 812 A 20 PHE HZ A 102 ILE HG13 1.0 . 4.46 996 813 A 20 PHE HZ A 95 ILE HD1% 1.0 . 4.70 997 814 A 103 THR HG2% A 20 PHE HZ 1.0 . 5.04 998 815 A 20 PHE HZ A 36 VAL HGx% 1.0 . 4.64 999 816 A 20 PHE HZ A 93 ILE HB 1.0 . 4.30 1000 817 A 106 TRP HH2 A 26 GLU HB2 1.0 . 3.42 1001 817 A 26 GLU HB3 A 106 TRP HH2 1.0 . 3.42 1002 818 A 93 ILE HB A 104 HIS HD2 1.0 . 4.46 1003 819 A 93 ILE HD1% A 104 HIS HD2 1.0 . 4.00 1004 820 A 106 TRP HA A 106 TRP HE3 1.0 . 3.73 1005 821 A 31 THR HG2% A 29 HIS HD2 1.0 . 3.92 1006 822 A 29 HIS HD2 A 29 HIS HA 1.0 . 4.66 1007 823 A 105 HIS HA A 105 HIS HD2 1.0 . 4.71 1008 824 A 11 TYR HA A 11 TYR HE% 1.0 . 4.32 1009 825 A 106 TRP HZ2 A 26 GLU HB2 1.0 . 3.27 1010 825 A 26 GLU HB3 A 106 TRP HZ2 1.0 . 3.27 1011 826 A 4 LEU HA A 4 LEU HDx% 1.0 . 4.33 1012 826 A 4 LEU HA A 4 LEU HDy% 1.0 . 4.33 1013 827 A 9 VAL H A 9 VAL HGx% 1.0 . 4.01 1014 827 A 9 VAL H A 9 VAL HGy% 1.0 . 4.01 1015 828 A 10 SER H A 9 VAL HGx% 1.0 . 4.29 1016 828 A 10 SER H A 9 VAL HGy% 1.0 . 4.29 1017 829 A 10 SER HA A 9 VAL HGx% 1.0 . 5.16 1018 829 A 10 SER HA A 9 VAL HGy% 1.0 . 5.16 1019 830 A 11 TYR H A 11 TYR HBx 1.0 . 3.39 1020 830 A 11 TYR H A 11 TYR HBy 1.0 . 3.39 1021 831 A 11 TYR HA A 12 SER HBy 1.0 . 4.23 1022 831 A 11 TYR HA A 12 SER HBx 1.0 . 4.23 1023 832 A 12 SER H A 11 TYR HBx 1.0 . 3.24 1024 832 A 12 SER H A 11 TYR HBy 1.0 . 3.24 1025 833 A 12 SER H A 12 SER HBy 1.0 . 3.16 1026 833 A 12 SER H A 12 SER HBx 1.0 . 3.16 1027 834 A 13 LEU H A 12 SER HBy 1.0 . 3.25 1028 834 A 13 LEU H A 12 SER HBx 1.0 . 3.25 1029 835 A 13 LEU H A 13 LEU HBx 1.0 . 3.43 1030 835 A 13 LEU H A 13 LEU HBy 1.0 . 3.43 1031 836 A 13 LEU H A 13 LEU HDx% 1.0 . 3.68 1032 836 A 13 LEU H A 13 LEU HDy% 1.0 . 3.68 1033 837 A 13 LEU HA A 13 LEU HDx% 1.0 . 3.68 1034 837 A 13 LEU HA A 13 LEU HDy% 1.0 . 3.68 1035 838 A 13 LEU HBy A 13 LEU HDx% 1.0 . 2.82 1036 838 A 13 LEU HBx A 13 LEU HDx% 1.0 . 2.82 1037 838 A 13 LEU HDy% A 13 LEU HBx 1.0 . 2.82 1038 838 A 13 LEU HBy A 13 LEU HDy% 1.0 . 2.82 1039 839 A 14 CYS H A 13 LEU HBx 1.0 . 4.06 1040 839 A 14 CYS H A 13 LEU HBy 1.0 . 4.06 1041 840 A 14 CYS H A 13 LEU HDx% 1.0 . 4.17 1042 840 A 14 CYS H A 13 LEU HDy% 1.0 . 4.17 1043 841 A 14 CYS HA A 13 LEU HDx% 1.0 . 4.23 1044 841 A 14 CYS HA A 13 LEU HDy% 1.0 . 4.23 1045 842 A 14 CYS H A 14 CYS HBx 1.0 . 3.55 1046 842 A 14 CYS H A 14 CYS HBy 1.0 . 3.55 1047 843 A 15 THR H A 14 CYS HBx 1.0 . 4.32 1048 843 A 15 THR H A 14 CYS HBy 1.0 . 4.32 1049 844 A 15 THR HA A 14 CYS HBx 1.0 . 5.34 1050 844 A 15 THR HA A 14 CYS HBy 1.0 . 5.34 1051 845 A 16 ALA H A 14 CYS HBx 1.0 . 4.31 1052 845 A 16 ALA H A 14 CYS HBy 1.0 . 4.31 1053 846 A 16 ALA HA A 40 GLY HAy 1.0 . 3.98 1054 846 A 16 ALA HA A 40 GLY HAx 1.0 . 3.98 1055 847 A 16 ALA HB% A 40 GLY HAy 1.0 . 3.04 1056 847 A 16 ALA HB% A 40 GLY HAx 1.0 . 3.04 1057 848 A 17 ALA HA A 100 LYS HBy 1.0 . 4.50 1058 848 A 17 ALA HA A 100 LYS HBx 1.0 . 4.50 1059 849 A 17 ALA HB% A 100 LYS HBy 1.0 . 3.91 1060 849 A 17 ALA HB% A 100 LYS HBx 1.0 . 3.91 1061 850 A 17 ALA HB% A 100 LYS HDx 1.0 . 4.99 1062 850 A 17 ALA HB% A 100 LYS HDy 1.0 . 4.99 1063 851 A 19 THR HB A 37 GLN HBx 1.0 . 4.40 1064 851 A 19 THR HB A 37 GLN HBy 1.0 . 4.40 1065 852 A 21 THR H A 35 GLU HBx 1.0 . 5.06 1066 852 A 21 THR H A 35 GLU HBy 1.0 . 5.06 1067 853 A 21 THR HA A 37 GLN HE21 1.0 . 4.68 1068 853 A 21 THR HA A 37 GLN HE22 1.0 . 4.68 1069 854 A 21 THR HG2% A 37 GLN HE21 1.0 . 5.00 1070 854 A 21 THR HG2% A 37 GLN HE22 1.0 . 5.00 1071 855 A 22 LYS H A 35 GLU HBx 1.0 . 4.05 1072 855 A 22 LYS H A 35 GLU HBy 1.0 . 4.05 1073 856 A 23 ILE H A 23 ILE HG1y 1.0 . 3.15 1074 856 A 23 ILE H A 23 ILE HG1x 1.0 . 3.15 1075 857 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 3.05 1076 857 A 23 ILE HG2% A 23 ILE HG1x 1.0 . 3.05 1077 858 A 104 HIS HE1 A 23 ILE HG1y 1.0 . 4.54 1078 858 A 104 HIS HE1 A 23 ILE HG1x 1.0 . 4.54 1079 859 A 32 VAL HGx% A 24 PRO HBx 1.0 . 4.54 1080 859 A 32 VAL HGx% A 24 PRO HBy 1.0 . 4.54 1081 860 A 32 VAL HGy% A 24 PRO HBx 1.0 . 4.06 1082 860 A 32 VAL HGy% A 24 PRO HBy 1.0 . 4.06 1083 861 A 24 PRO HBx A 34 VAL HG1% 1.0 . 4.53 1084 861 A 24 PRO HBy A 34 VAL HG1% 1.0 . 4.53 1085 861 A 34 VAL HG2% A 24 PRO HBx 1.0 . 4.53 1086 861 A 34 VAL HG2% A 24 PRO HBy 1.0 . 4.53 1087 862 A 24 PRO HBx A 93 ILE HG12 1.0 . 4.44 1088 862 A 24 PRO HBy A 93 ILE HG12 1.0 . 4.44 1089 862 A 93 ILE HG13 A 24 PRO HBx 1.0 . 4.44 1090 862 A 93 ILE HG13 A 24 PRO HBy 1.0 . 4.44 1091 863 A 24 PRO HGx A 34 VAL HG1% 1.0 . 4.43 1092 863 A 24 PRO HGy A 34 VAL HG1% 1.0 . 4.43 1093 863 A 34 VAL HG2% A 24 PRO HGx 1.0 . 4.43 1094 863 A 34 VAL HG2% A 24 PRO HGy 1.0 . 4.43 1095 864 A 24 PRO HGy A 93 ILE HG12 1.0 . 4.75 1096 864 A 24 PRO HGx A 93 ILE HG12 1.0 . 4.75 1097 864 A 93 ILE HG13 A 24 PRO HGx 1.0 . 4.75 1098 864 A 93 ILE HG13 A 24 PRO HGy 1.0 . 4.75 1099 865 A 26 GLU H A 26 GLU HGx 1.0 . 4.76 1100 865 A 26 GLU H A 26 GLU HGy 1.0 . 4.76 1101 866 A 26 GLU HA A 26 GLU HGx 1.0 . 3.56 1102 866 A 26 GLU HA A 26 GLU HGy 1.0 . 3.56 1103 867 A 27 THR H A 26 GLU HGx 1.0 . 3.50 1104 867 A 27 THR H A 26 GLU HGy 1.0 . 3.50 1105 868 A 30 GLY H A 26 GLU HGx 1.0 . 4.99 1106 868 A 30 GLY H A 26 GLU HGy 1.0 . 4.99 1107 869 A 26 GLU HGy A 30 GLY HAy 1.0 . 4.10 1108 869 A 26 GLU HGx A 30 GLY HAy 1.0 . 4.10 1109 869 A 30 GLY HAx A 26 GLU HGx 1.0 . 4.10 1110 869 A 26 GLU HGy A 30 GLY HAx 1.0 . 4.10 1111 870 A 31 THR H A 26 GLU HGx 1.0 . 4.61 1112 870 A 31 THR H A 26 GLU HGy 1.0 . 4.61 1113 871 A 106 TRP HZ2 A 26 GLU HGx 1.0 . 3.91 1114 871 A 106 TRP HZ2 A 26 GLU HGy 1.0 . 3.91 1115 872 A 28 LEU HA A 28 LEU HDx% 1.0 . 3.34 1116 872 A 28 LEU HA A 28 LEU HDy% 1.0 . 3.34 1117 873 A 29 HIS H A 28 LEU HBy 1.0 . 4.26 1118 873 A 29 HIS H A 28 LEU HBx 1.0 . 4.26 1119 874 A 28 LEU HBy A 29 HIS HBx 1.0 . 5.03 1120 874 A 28 LEU HBx A 29 HIS HBx 1.0 . 5.03 1121 874 A 29 HIS HBy A 28 LEU HBy 1.0 . 5.03 1122 874 A 28 LEU HBx A 29 HIS HBy 1.0 . 5.03 1123 875 A 29 HIS H A 28 LEU HDx% 1.0 . 4.84 1124 875 A 29 HIS H A 28 LEU HDy% 1.0 . 4.84 1125 876 A 29 HIS H A 29 HIS HBx 1.0 . 3.52 1126 876 A 29 HIS H A 29 HIS HBy 1.0 . 3.52 1127 877 A 29 HIS H A 30 GLY HAy 1.0 . 5.14 1128 877 A 29 HIS H A 30 GLY HAx 1.0 . 5.14 1129 878 A 29 HIS HD2 A 29 HIS HBx 1.0 . 3.48 1130 878 A 29 HIS HD2 A 29 HIS HBy 1.0 . 3.48 1131 879 A 30 GLY H A 29 HIS HBx 1.0 . 4.22 1132 879 A 30 GLY H A 29 HIS HBy 1.0 . 4.22 1133 880 A 31 THR H A 29 HIS HBx 1.0 . 4.70 1134 880 A 31 THR H A 29 HIS HBy 1.0 . 4.70 1135 881 A 31 THR HG2% A 29 HIS HBx 1.0 . 4.60 1136 881 A 31 THR HG2% A 29 HIS HBy 1.0 . 4.60 1137 882 A 31 THR HG2% A 30 GLY HAy 1.0 . 5.14 1138 882 A 31 THR HG2% A 30 GLY HAx 1.0 . 5.14 1139 883 A 31 THR HA A 86 PRO HDy 1.0 . 4.20 1140 883 A 31 THR HA A 86 PRO HDx 1.0 . 4.20 1141 884 A 32 VAL H A 86 PRO HGx 1.0 . 5.35 1142 884 A 32 VAL H A 86 PRO HGy 1.0 . 5.35 1143 885 A 32 VAL H A 86 PRO HDy 1.0 . 4.48 1144 885 A 32 VAL H A 86 PRO HDx 1.0 . 4.48 1145 886 A 32 VAL HB A 84 LEU HBy 1.0 . 4.68 1146 886 A 32 VAL HB A 84 LEU HBx 1.0 . 4.68 1147 887 A 32 VAL HB A 86 PRO HDy 1.0 . 5.29 1148 887 A 32 VAL HB A 86 PRO HDx 1.0 . 5.29 1149 888 A 32 VAL HGx% A 84 LEU HBy 1.0 . 4.17 1150 888 A 32 VAL HGx% A 84 LEU HBx 1.0 . 4.17 1151 889 A 32 VAL HGx% A 84 LEU HDx% 1.0 . 3.97 1152 889 A 32 VAL HGx% A 84 LEU HDy% 1.0 . 3.97 1153 890 A 32 VAL HGx% A 86 PRO HGx 1.0 . 3.78 1154 890 A 32 VAL HGx% A 86 PRO HGy 1.0 . 3.78 1155 891 A 32 VAL HGy% A 86 PRO HGx 1.0 . 5.35 1156 891 A 32 VAL HGy% A 86 PRO HGy 1.0 . 5.35 1157 892 A 32 VAL HGy% A 86 PRO HDy 1.0 . 4.73 1158 892 A 32 VAL HGy% A 86 PRO HDx 1.0 . 4.73 1159 893 A 33 THR HB A 81 MET HGx 1.0 . 4.43 1160 893 A 33 THR HB A 81 MET HGy 1.0 . 4.43 1161 894 A 33 THR HG2% A 81 MET HGx 1.0 . 4.04 1162 894 A 33 THR HG2% A 81 MET HGy 1.0 . 4.04 1163 895 A 33 THR HG2% A 83 GLU HGx 1.0 . 4.31 1164 895 A 33 THR HG2% A 83 GLU HGy 1.0 . 4.31 1165 896 A 34 VAL H A 81 MET HGx 1.0 . 4.47 1166 896 A 34 VAL H A 81 MET HGy 1.0 . 4.47 1167 897 A 34 VAL H A 82 LEU HBy 1.0 . 4.61 1168 897 A 34 VAL H A 82 LEU HBx 1.0 . 4.61 1169 898 A 34 VAL H A 84 LEU HDx% 1.0 . 4.55 1170 898 A 34 VAL H A 84 LEU HDy% 1.0 . 4.55 1171 899 A 34 VAL HB A 82 LEU HBy 1.0 . 5.18 1172 899 A 34 VAL HB A 82 LEU HBx 1.0 . 5.18 1173 900 A 34 VAL HB A 84 LEU HDx% 1.0 . 4.52 1174 900 A 34 VAL HB A 84 LEU HDy% 1.0 . 4.52 1175 901 A 34 VAL HG1% A 82 LEU HBy 1.0 . 4.11 1176 901 A 34 VAL HG2% A 82 LEU HBy 1.0 . 4.11 1177 901 A 82 LEU HBx A 34 VAL HG1% 1.0 . 4.11 1178 901 A 34 VAL HG2% A 82 LEU HBx 1.0 . 4.11 1179 902 A 34 VAL HG2% A 84 LEU HDx% 1.0 . 2.32 1180 902 A 34 VAL HG1% A 84 LEU HDx% 1.0 . 2.32 1181 902 A 84 LEU HDy% A 34 VAL HG1% 1.0 . 2.32 1182 902 A 34 VAL HG2% A 84 LEU HDy% 1.0 . 2.32 1183 903 A 35 GLU HA A 35 GLU HGy 1.0 . 3.40 1184 903 A 35 GLU HA A 35 GLU HGx 1.0 . 3.40 1185 904 A 36 VAL H A 35 GLU HGy 1.0 . 3.57 1186 904 A 36 VAL H A 35 GLU HGx 1.0 . 3.57 1187 905 A 36 VAL HA A 35 GLU HGy 1.0 . 5.07 1188 905 A 36 VAL HA A 35 GLU HGx 1.0 . 5.07 1189 906 A 36 VAL HGy% A 35 GLU HGy 1.0 . 4.64 1190 906 A 36 VAL HGy% A 35 GLU HGx 1.0 . 4.64 1191 907 A 80 MET H A 35 GLU HGy 1.0 . 3.75 1192 907 A 80 MET H A 35 GLU HGx 1.0 . 3.75 1193 908 A 37 GLN HE22 A 37 GLN HBx 1.0 . 4.30 1194 908 A 37 GLN HE21 A 37 GLN HBx 1.0 . 4.30 1195 908 A 37 GLN HE22 A 37 GLN HBy 1.0 . 4.30 1196 908 A 37 GLN HE21 A 37 GLN HBy 1.0 . 4.30 1197 909 A 38 TYR H A 38 TYR HBy 1.0 . 3.40 1198 909 A 38 TYR H A 38 TYR HBx 1.0 . 3.40 1199 910 A 71 ILE HG2% A 38 TYR HBy 1.0 . 4.86 1200 910 A 71 ILE HG2% A 38 TYR HBx 1.0 . 4.86 1201 911 A 71 ILE HD1% A 38 TYR HBy 1.0 . 3.91 1202 911 A 71 ILE HD1% A 38 TYR HBx 1.0 . 3.91 1203 912 A 78 SER H A 38 TYR HBy 1.0 . 4.67 1204 912 A 78 SER H A 38 TYR HBx 1.0 . 4.67 1205 913 A 38 TYR HD% A 47 VAL HGx% 1.0 . 4.02 1206 913 A 38 TYR HD% A 47 VAL HGy% 1.0 . 4.02 1207 914 A 39 ALA H A 40 GLY HAy 1.0 . 5.34 1208 914 A 39 ALA H A 40 GLY HAx 1.0 . 5.34 1209 915 A 41 THR H A 40 GLY HAy 1.0 . 3.03 1210 915 A 41 THR H A 40 GLY HAx 1.0 . 3.03 1211 916 A 42 ASP H A 40 GLY HAy 1.0 . 4.14 1212 916 A 42 ASP H A 40 GLY HAx 1.0 . 4.14 1213 917 A 42 ASP H A 42 ASP HBy 1.0 . 3.35 1214 917 A 42 ASP H A 42 ASP HBx 1.0 . 3.35 1215 918 A 45 CYS H A 43 GLY HAy 1.0 . 3.60 1216 918 A 45 CYS H A 43 GLY HAx 1.0 . 3.60 1217 919 A 71 ILE HG2% A 43 GLY HAy 1.0 . 4.91 1218 919 A 71 ILE HG2% A 43 GLY HAx 1.0 . 4.91 1219 920 A 70 VAL HGy% A 44 PRO HBx 1.0 . 4.37 1220 920 A 70 VAL HGy% A 44 PRO HBy 1.0 . 4.37 1221 921 A 72 THR HA A 44 PRO HBx 1.0 . 3.61 1222 921 A 72 THR HA A 44 PRO HBy 1.0 . 3.61 1223 922 A 45 CYS HA A 46 LYS HBy 1.0 . 4.99 1224 922 A 45 CYS HA A 46 LYS HBx 1.0 . 4.99 1225 923 A 46 LYS H A 46 LYS HBy 1.0 . 3.14 1226 923 A 46 LYS H A 46 LYS HBx 1.0 . 3.14 1227 924 A 46 LYS HA A 47 VAL HGx% 1.0 . 3.83 1228 924 A 46 LYS HA A 47 VAL HGy% 1.0 . 3.83 1229 925 A 46 LYS HBx A 46 LYS HE2 1.0 . 3.07 1230 925 A 46 LYS HBy A 46 LYS HE2 1.0 . 3.07 1231 925 A 46 LYS HE3 A 46 LYS HBy 1.0 . 3.07 1232 925 A 46 LYS HBx A 46 LYS HE3 1.0 . 3.07 1233 926 A 47 VAL HA A 46 LYS HBy 1.0 . 5.34 1234 926 A 47 VAL HA A 46 LYS HBx 1.0 . 5.34 1235 927 A 47 VAL H A 47 VAL HGx% 1.0 . 3.23 1236 927 A 47 VAL H A 47 VAL HGy% 1.0 . 3.23 1237 928 A 47 VAL H A 69 PRO HGx 1.0 . 5.18 1238 928 A 47 VAL H A 69 PRO HGy 1.0 . 5.18 1239 929 A 48 PRO HA A 47 VAL HGx% 1.0 . 4.46 1240 929 A 48 PRO HA A 47 VAL HGy% 1.0 . 4.46 1241 930 A 47 VAL HGy% A 48 PRO HD2 1.0 . 3.88 1242 930 A 47 VAL HGx% A 48 PRO HD2 1.0 . 3.88 1243 930 A 48 PRO HD3 A 47 VAL HGx% 1.0 . 3.88 1244 930 A 48 PRO HD3 A 47 VAL HGy% 1.0 . 3.88 1245 931 A 49 ALA H A 47 VAL HGx% 1.0 . 5.25 1246 931 A 49 ALA H A 47 VAL HGy% 1.0 . 5.25 1247 932 A 49 ALA HB% A 47 VAL HGx% 1.0 . 3.52 1248 932 A 49 ALA HB% A 47 VAL HGy% 1.0 . 3.52 1249 933 A 47 VAL HGx% A 69 PRO HBx 1.0 . 4.19 1250 933 A 47 VAL HGy% A 69 PRO HBx 1.0 . 4.19 1251 933 A 69 PRO HBy A 47 VAL HGx% 1.0 . 4.19 1252 933 A 47 VAL HGy% A 69 PRO HBy 1.0 . 4.19 1253 934 A 70 VAL HA A 47 VAL HGx% 1.0 . 3.84 1254 934 A 70 VAL HA A 47 VAL HGy% 1.0 . 3.84 1255 935 A 47 VAL HGy% A 71 ILE HG12 1.0 . 3.12 1256 935 A 47 VAL HGx% A 71 ILE HG12 1.0 . 3.12 1257 935 A 71 ILE HG13 A 47 VAL HGx% 1.0 . 3.12 1258 935 A 71 ILE HG13 A 47 VAL HGy% 1.0 . 3.12 1259 936 A 71 ILE HD1% A 47 VAL HGx% 1.0 . 3.56 1260 936 A 71 ILE HD1% A 47 VAL HGy% 1.0 . 3.56 1261 937 A 47 VAL HGx% A 82 LEU HD1% 1.0 . 3.48 1262 937 A 82 LEU HD2% A 47 VAL HGx% 1.0 . 3.48 1263 937 A 82 LEU HD2% A 47 VAL HGy% 1.0 . 3.48 1264 937 A 47 VAL HGy% A 82 LEU HD1% 1.0 . 3.48 1265 938 A 95 ILE HD1% A 47 VAL HGx% 1.0 . 3.73 1266 938 A 95 ILE HD1% A 47 VAL HGy% 1.0 . 3.73 1267 939 A 48 PRO HBx A 96 GLY HAy 1.0 . 3.41 1268 939 A 48 PRO HBx A 96 GLY HAx 1.0 . 3.41 1269 940 A 51 MET H A 50 GLN HBx 1.0 . 4.01 1270 940 A 51 MET H A 50 GLN HBy 1.0 . 4.01 1271 941 A 51 MET H A 50 GLN HE21 1.0 . 5.09 1272 941 A 51 MET H A 50 GLN HE22 1.0 . 5.09 1273 942 A 52 ALA HB% A 50 GLN HE21 1.0 . 3.57 1274 942 A 52 ALA HB% A 50 GLN HE22 1.0 . 3.57 1275 943 A 58 LEU HA A 50 GLN HE21 1.0 . 5.34 1276 943 A 58 LEU HA A 50 GLN HE22 1.0 . 5.34 1277 944 A 58 LEU HB3 A 50 GLN HE21 1.0 . 4.47 1278 944 A 50 GLN HE22 A 58 LEU HB2 1.0 . 4.47 1279 944 A 58 LEU HB3 A 50 GLN HE22 1.0 . 4.47 1280 944 A 50 GLN HE21 A 58 LEU HB2 1.0 . 4.47 1281 945 A 50 GLN HE21 A 58 LEU HDx% 1.0 . 4.71 1282 945 A 50 GLN HE21 A 58 LEU HDy% 1.0 . 4.71 1283 945 A 50 GLN HE22 A 58 LEU HDy% 1.0 . 4.71 1284 945 A 50 GLN HE22 A 58 LEU HDx% 1.0 . 4.71 1285 946 A 50 GLN HE21 A 60 PRO HA 1.0 . 4.00 1286 946 A 50 GLN HE22 A 60 PRO HA 1.0 . 4.00 1287 947 A 50 GLN HE21 A 60 PRO HBx 1.0 . 5.10 1288 947 A 50 GLN HE21 A 60 PRO HBy 1.0 . 5.10 1289 947 A 50 GLN HE22 A 60 PRO HBy 1.0 . 5.10 1290 947 A 50 GLN HE22 A 60 PRO HBx 1.0 . 5.10 1291 948 A 50 GLN HE21 A 60 PRO HDy 1.0 . 5.18 1292 948 A 50 GLN HE22 A 60 PRO HDx 1.0 . 5.18 1293 948 A 50 GLN HE22 A 60 PRO HDy 1.0 . 5.18 1294 948 A 50 GLN HE21 A 60 PRO HDx 1.0 . 5.18 1295 949 A 50 GLN HE21 A 61 VAL H 1.0 . 5.34 1296 949 A 50 GLN HE22 A 61 VAL H 1.0 . 5.34 1297 950 A 50 GLN HE21 A 61 VAL HGy% 1.0 . 5.27 1298 950 A 50 GLN HE22 A 61 VAL HGx% 1.0 . 5.27 1299 950 A 50 GLN HE22 A 61 VAL HGy% 1.0 . 5.27 1300 950 A 50 GLN HE21 A 61 VAL HGx% 1.0 . 5.27 1301 951 A 51 MET HA A 61 VAL HGx% 1.0 . 4.72 1302 951 A 51 MET HA A 61 VAL HGy% 1.0 . 4.72 1303 952 A 51 MET HA A 94 VAL HG1% 1.0 . 5.44 1304 952 A 51 MET HA A 94 VAL HG21 1.0 . 5.44 1305 953 A 52 ALA H A 51 MET HBy 1.0 . 4.32 1306 953 A 52 ALA H A 51 MET HBx 1.0 . 4.32 1307 954 A 51 MET HBx A 61 VAL HGx% 1.0 . 4.46 1308 954 A 51 MET HBy A 61 VAL HGx% 1.0 . 4.46 1309 954 A 61 VAL HGy% A 51 MET HBy 1.0 . 4.46 1310 954 A 61 VAL HGy% A 51 MET HBx 1.0 . 4.46 1311 955 A 93 ILE HA A 51 MET HBy 1.0 . 5.01 1312 955 A 93 ILE HA A 51 MET HBx 1.0 . 5.01 1313 956 A 51 MET HBy A 93 ILE HG12 1.0 . 5.17 1314 956 A 51 MET HBx A 93 ILE HG12 1.0 . 5.17 1315 956 A 93 ILE HG13 A 51 MET HBy 1.0 . 5.17 1316 956 A 93 ILE HG13 A 51 MET HBx 1.0 . 5.17 1317 957 A 51 MET HG3 A 61 VAL HGx% 1.0 . 3.59 1318 957 A 51 MET HG2 A 61 VAL HGx% 1.0 . 3.59 1319 957 A 61 VAL HGy% A 51 MET HG2 1.0 . 3.59 1320 957 A 51 MET HG3 A 61 VAL HGy% 1.0 . 3.59 1321 958 A 51 MET HG2 A 91 SER HBy 1.0 . 3.74 1322 958 A 91 SER HBx A 51 MET HG2 1.0 . 3.74 1323 958 A 51 MET HG3 A 91 SER HBx 1.0 . 3.74 1324 958 A 51 MET HG3 A 91 SER HBy 1.0 . 3.74 1325 959 A 52 ALA H A 61 VAL HGx% 1.0 . 4.03 1326 959 A 52 ALA H A 61 VAL HGy% 1.0 . 4.03 1327 960 A 52 ALA H A 91 SER HBy 1.0 . 4.84 1328 960 A 52 ALA H A 91 SER HBx 1.0 . 4.84 1329 961 A 52 ALA HA A 61 VAL HGx% 1.0 . 3.53 1330 961 A 52 ALA HA A 61 VAL HGy% 1.0 . 3.53 1331 962 A 52 ALA HB% A 58 LEU HDx% 1.0 . 2.89 1332 962 A 52 ALA HB% A 58 LEU HDy% 1.0 . 2.89 1333 963 A 53 VAL H A 53 VAL HGx% 1.0 . 3.48 1334 963 A 53 VAL H A 53 VAL HGy% 1.0 . 3.48 1335 964 A 53 VAL H A 61 VAL HGx% 1.0 . 4.04 1336 964 A 53 VAL H A 61 VAL HGy% 1.0 . 4.04 1337 965 A 53 VAL HA A 61 VAL HGx% 1.0 . 5.44 1338 965 A 53 VAL HA A 61 VAL HGy% 1.0 . 5.44 1339 966 A 54 ASP H A 53 VAL HGx% 1.0 . 4.09 1340 966 A 54 ASP H A 53 VAL HGy% 1.0 . 4.09 1341 967 A 53 VAL HGy% A 54 ASP HBx 1.0 . 5.15 1342 967 A 53 VAL HGx% A 54 ASP HBx 1.0 . 5.15 1343 967 A 54 ASP HBy A 53 VAL HGx% 1.0 . 5.15 1344 967 A 53 VAL HGy% A 54 ASP HBy 1.0 . 5.15 1345 968 A 53 VAL HGy% A 61 VAL HGx% 1.0 . 2.97 1346 968 A 61 VAL HGy% A 53 VAL HGx% 1.0 . 2.97 1347 968 A 61 VAL HGy% A 53 VAL HGy% 1.0 . 2.97 1348 968 A 53 VAL HGx% A 61 VAL HGx% 1.0 . 2.97 1349 969 A 53 VAL HGy% A 91 SER HBy 1.0 . 4.17 1350 969 A 53 VAL HGx% A 91 SER HBy 1.0 . 4.17 1351 969 A 91 SER HBx A 53 VAL HGx% 1.0 . 4.17 1352 969 A 91 SER HBx A 53 VAL HGy% 1.0 . 4.17 1353 970 A 54 ASP H A 54 ASP HBx 1.0 . 3.66 1354 970 A 54 ASP H A 54 ASP HBy 1.0 . 3.66 1355 971 A 55 MET H A 54 ASP HBx 1.0 . 4.21 1356 971 A 55 MET H A 54 ASP HBy 1.0 . 4.21 1357 972 A 57 THR H A 54 ASP HBx 1.0 . 4.62 1358 972 A 57 THR H A 54 ASP HBy 1.0 . 4.62 1359 973 A 58 LEU H A 54 ASP HBx 1.0 . 5.34 1360 973 A 58 LEU H A 54 ASP HBy 1.0 . 5.34 1361 974 A 54 ASP HBx A 58 LEU HDx% 1.0 . 5.28 1362 974 A 54 ASP HBy A 58 LEU HDx% 1.0 . 5.28 1363 974 A 58 LEU HDy% A 54 ASP HBx 1.0 . 5.28 1364 974 A 58 LEU HDy% A 54 ASP HBy 1.0 . 5.28 1365 975 A 55 MET H A 55 MET HBx 1.0 . 3.35 1366 975 A 55 MET H A 55 MET HBy 1.0 . 3.35 1367 976 A 55 MET HA A 58 LEU HDx% 1.0 . 3.31 1368 976 A 55 MET HA A 58 LEU HDy% 1.0 . 3.31 1369 977 A 56 GLN H A 58 LEU HDx% 1.0 . 5.44 1370 977 A 56 GLN H A 58 LEU HDy% 1.0 . 5.44 1371 978 A 57 THR H A 58 LEU HDx% 1.0 . 5.41 1372 978 A 57 THR H A 58 LEU HDy% 1.0 . 5.41 1373 979 A 58 LEU H A 58 LEU HDx% 1.0 . 4.10 1374 979 A 58 LEU H A 58 LEU HDy% 1.0 . 4.10 1375 980 A 58 LEU HA A 58 LEU HDx% 1.0 . 3.15 1376 980 A 58 LEU HA A 58 LEU HDy% 1.0 . 3.15 1377 981 A 58 LEU HB3 A 58 LEU HDx% 1.0 . 2.81 1378 981 A 58 LEU HB2 A 58 LEU HDx% 1.0 . 2.81 1379 981 A 58 LEU HDy% A 58 LEU HB2 1.0 . 2.81 1380 981 A 58 LEU HB3 A 58 LEU HDy% 1.0 . 2.81 1381 982 A 59 THR H A 60 PRO HDx 1.0 . 5.35 1382 982 A 59 THR H A 60 PRO HDy 1.0 . 5.35 1383 983 A 61 VAL H A 60 PRO HDx 1.0 . 4.96 1384 983 A 61 VAL H A 60 PRO HDy 1.0 . 4.96 1385 984 A 61 VAL H A 61 VAL HGx% 1.0 . 3.33 1386 984 A 61 VAL H A 61 VAL HGy% 1.0 . 3.33 1387 985 A 61 VAL HGy% A 86 PRO HB2 1.0 . 5.44 1388 985 A 86 PRO HB3 A 61 VAL HGx% 1.0 . 5.44 1389 985 A 86 PRO HB3 A 61 VAL HGy% 1.0 . 5.44 1390 985 A 61 VAL HGx% A 86 PRO HB2 1.0 . 5.44 1391 986 A 61 VAL HGy% A 87 PRO HB2 1.0 . 4.76 1392 986 A 61 VAL HGx% A 87 PRO HB2 1.0 . 4.76 1393 986 A 87 PRO HB3 A 61 VAL HGx% 1.0 . 4.76 1394 986 A 87 PRO HB3 A 61 VAL HGy% 1.0 . 4.76 1395 987 A 61 VAL HGx% A 87 PRO HGx 1.0 . 3.89 1396 987 A 61 VAL HGy% A 87 PRO HGx 1.0 . 3.89 1397 987 A 87 PRO HGy A 61 VAL HGx% 1.0 . 3.89 1398 987 A 61 VAL HGy% A 87 PRO HGy 1.0 . 3.89 1399 988 A 87 PRO HDx A 61 VAL HGx% 1.0 . 4.07 1400 988 A 87 PRO HDx A 61 VAL HGy% 1.0 . 4.07 1401 989 A 87 PRO HDy A 61 VAL HGx% 1.0 . 4.66 1402 989 A 87 PRO HDy A 61 VAL HGy% 1.0 . 4.66 1403 990 A 61 VAL HGy% A 91 SER HBy 1.0 . 4.58 1404 990 A 61 VAL HGx% A 91 SER HBy 1.0 . 4.58 1405 990 A 91 SER HBx A 61 VAL HGx% 1.0 . 4.58 1406 990 A 61 VAL HGy% A 91 SER HBx 1.0 . 4.58 1407 991 A 92 TYR H A 61 VAL HGx% 1.0 . 4.86 1408 991 A 92 TYR H A 61 VAL HGy% 1.0 . 4.86 1409 992 A 62 GLY HAx A 87 PRO HB2 1.0 . 5.03 1410 992 A 62 GLY HA3 A 87 PRO HB2 1.0 . 5.03 1411 992 A 87 PRO HB3 A 62 GLY HAx 1.0 . 5.03 1412 992 A 87 PRO HB3 A 62 GLY HA3 1.0 . 5.03 1413 993 A 87 PRO HDx A 62 GLY HAx 1.0 . 4.53 1414 993 A 87 PRO HDx A 62 GLY HA3 1.0 . 4.53 1415 994 A 65 ILE HA A 65 ILE HG1y 1.0 . 3.53 1416 994 A 65 ILE HA A 65 ILE HG1x 1.0 . 3.53 1417 995 A 65 ILE HG2% A 65 ILE HG1y 1.0 . 3.39 1418 995 A 65 ILE HG2% A 65 ILE HG1x 1.0 . 3.39 1419 996 A 66 THR HG2% A 69 PRO HBx 1.0 . 4.49 1420 996 A 66 THR HG2% A 69 PRO HBy 1.0 . 4.49 1421 997 A 66 THR HG2% A 69 PRO HDx 1.0 . 5.15 1422 997 A 66 THR HG2% A 69 PRO HDy 1.0 . 5.15 1423 998 A 67 ALA HB% A 68 ASN HD22 1.0 . 5.10 1424 998 A 67 ALA HB% A 68 ASN HD21 1.0 . 5.10 1425 999 A 68 ASN H A 69 PRO HGx 1.0 . 5.35 1426 999 A 68 ASN H A 69 PRO HGy 1.0 . 5.35 1427 1000 A 68 ASN H A 69 PRO HDx 1.0 . 4.45 1428 1000 A 68 ASN H A 69 PRO HDy 1.0 . 4.45 1429 1001 A 70 VAL HGx% A 68 ASN HD22 1.0 . 3.98 1430 1001 A 70 VAL HGx% A 68 ASN HD21 1.0 . 3.98 1431 1002 A 70 VAL HGy% A 68 ASN HD22 1.0 . 4.12 1432 1002 A 70 VAL HGy% A 68 ASN HD21 1.0 . 4.12 1433 1003 A 70 VAL H A 69 PRO HBx 1.0 . 3.59 1434 1003 A 70 VAL H A 69 PRO HBy 1.0 . 3.59 1435 1004 A 69 PRO HBx A 82 LEU HD1% 1.0 . 3.32 1436 1004 A 69 PRO HBy A 82 LEU HD1% 1.0 . 3.32 1437 1004 A 82 LEU HD2% A 69 PRO HBx 1.0 . 3.32 1438 1004 A 82 LEU HD2% A 69 PRO HBy 1.0 . 3.32 1439 1005 A 69 PRO HGx A 82 LEU HD1% 1.0 . 5.35 1440 1005 A 69 PRO HGy A 82 LEU HD1% 1.0 . 5.35 1441 1005 A 82 LEU HD2% A 69 PRO HGx 1.0 . 5.35 1442 1005 A 82 LEU HD2% A 69 PRO HGy 1.0 . 5.35 1443 1006 A 69 PRO HDy A 82 LEU HD1% 1.0 . 5.18 1444 1006 A 69 PRO HDx A 82 LEU HD1% 1.0 . 5.18 1445 1006 A 82 LEU HD2% A 69 PRO HDx 1.0 . 5.18 1446 1006 A 82 LEU HD2% A 69 PRO HDy 1.0 . 5.18 1447 1007 A 76 GLU H A 76 GLU HGx 1.0 . 3.70 1448 1007 A 76 GLU H A 76 GLU HGy 1.0 . 3.70 1449 1008 A 77 ASN H A 76 GLU HGx 1.0 . 4.51 1450 1008 A 77 ASN H A 76 GLU HGy 1.0 . 4.51 1451 1009 A 76 GLU HGy A 77 ASN HD22 1.0 . 4.04 1452 1009 A 76 GLU HGx A 77 ASN HD22 1.0 . 4.04 1453 1009 A 77 ASN HD21 A 76 GLU HGx 1.0 . 4.04 1454 1009 A 76 GLU HGy A 77 ASN HD21 1.0 . 4.04 1455 1010 A 77 ASN HBy A 77 ASN HD22 1.0 . 3.11 1456 1010 A 77 ASN HBx A 77 ASN HD22 1.0 . 3.11 1457 1010 A 77 ASN HD21 A 77 ASN HBx 1.0 . 3.11 1458 1010 A 77 ASN HD21 A 77 ASN HBy 1.0 . 3.11 1459 1011 A 79 LYS H A 79 LYS HDx 1.0 . 3.85 1460 1011 A 79 LYS H A 79 LYS HDy 1.0 . 3.85 1461 1012 A 79 LYS HA A 79 LYS HDx 1.0 . 4.18 1462 1012 A 79 LYS HA A 79 LYS HDy 1.0 . 4.18 1463 1013 A 80 MET H A 79 LYS HDx 1.0 . 5.06 1464 1013 A 80 MET H A 79 LYS HDy 1.0 . 5.06 1465 1014 A 80 MET H A 80 MET HBx 1.0 . 3.56 1466 1014 A 80 MET H A 80 MET HBy 1.0 . 3.56 1467 1015 A 81 MET H A 80 MET HBx 1.0 . 3.86 1468 1015 A 81 MET H A 80 MET HBy 1.0 . 3.86 1469 1016 A 81 MET H A 81 MET HGx 1.0 . 4.20 1470 1016 A 81 MET H A 81 MET HGy 1.0 . 4.20 1471 1017 A 82 LEU H A 81 MET HGx 1.0 . 3.81 1472 1017 A 82 LEU H A 81 MET HGy 1.0 . 3.81 1473 1018 A 82 LEU H A 82 LEU HBy 1.0 . 3.32 1474 1018 A 82 LEU H A 82 LEU HBx 1.0 . 3.32 1475 1019 A 82 LEU H A 84 LEU HDx% 1.0 . 4.91 1476 1019 A 82 LEU H A 84 LEU HDy% 1.0 . 4.91 1477 1020 A 82 LEU HA A 83 GLU HGx 1.0 . 4.52 1478 1020 A 82 LEU HA A 83 GLU HGy 1.0 . 4.52 1479 1021 A 83 GLU H A 82 LEU HBy 1.0 . 3.71 1480 1021 A 83 GLU H A 82 LEU HBx 1.0 . 3.71 1481 1022 A 82 LEU HBx A 84 LEU HDx% 1.0 . 3.26 1482 1022 A 82 LEU HBy A 84 LEU HDx% 1.0 . 3.26 1483 1022 A 84 LEU HDy% A 82 LEU HBy 1.0 . 3.26 1484 1022 A 84 LEU HDy% A 82 LEU HBx 1.0 . 3.26 1485 1023 A 82 LEU HD2% A 84 LEU HDx% 1.0 . 3.45 1486 1023 A 82 LEU HD1% A 84 LEU HDx% 1.0 . 3.45 1487 1023 A 84 LEU HDy% A 82 LEU HD1% 1.0 . 3.45 1488 1023 A 82 LEU HD2% A 84 LEU HDy% 1.0 . 3.45 1489 1024 A 83 GLU HA A 84 LEU HDx% 1.0 . 4.24 1490 1024 A 83 GLU HA A 84 LEU HDy% 1.0 . 4.24 1491 1025 A 84 LEU H A 83 GLU HGx 1.0 . 4.81 1492 1025 A 84 LEU H A 83 GLU HGy 1.0 . 4.81 1493 1026 A 84 LEU H A 84 LEU HDx% 1.0 . 3.84 1494 1026 A 84 LEU H A 84 LEU HDy% 1.0 . 3.84 1495 1027 A 84 LEU HA A 84 LEU HDx% 1.0 . 3.71 1496 1027 A 84 LEU HA A 84 LEU HDy% 1.0 . 3.71 1497 1028 A 85 ASP H A 84 LEU HBy 1.0 . 4.23 1498 1028 A 85 ASP H A 84 LEU HBx 1.0 . 4.23 1499 1029 A 85 ASP H A 84 LEU HDx% 1.0 . 4.84 1500 1029 A 85 ASP H A 84 LEU HDy% 1.0 . 4.84 1501 1030 A 85 ASP HA A 86 PRO HDy 1.0 . 3.19 1502 1030 A 85 ASP HA A 86 PRO HDx 1.0 . 3.19 1503 1031 A 87 PRO HDx A 86 PRO HGx 1.0 . 4.09 1504 1031 A 87 PRO HDx A 86 PRO HGy 1.0 . 4.09 1505 1032 A 106 TRP HD1 A 86 PRO HGx 1.0 . 3.47 1506 1032 A 106 TRP HD1 A 86 PRO HGy 1.0 . 3.47 1507 1033 A 88 PHE H A 87 PRO HGx 1.0 . 4.56 1508 1033 A 88 PHE H A 87 PRO HGy 1.0 . 4.56 1509 1034 A 88 PHE H A 88 PHE HBx 1.0 . 3.00 1510 1034 A 88 PHE H A 88 PHE HBy 1.0 . 3.00 1511 1035 A 89 GLY H A 88 PHE HBx 1.0 . 3.71 1512 1035 A 89 GLY H A 88 PHE HBy 1.0 . 3.71 1513 1036 A 89 GLY H A 108 ARG HBy 1.0 . 3.74 1514 1036 A 89 GLY H A 108 ARG HBx 1.0 . 3.74 1515 1037 A 90 ASP H A 89 GLY HAy 1.0 . 2.92 1516 1037 A 90 ASP H A 89 GLY HAx 1.0 . 2.92 1517 1038 A 90 ASP HA A 91 SER HBy 1.0 . 4.29 1518 1038 A 90 ASP HA A 91 SER HBx 1.0 . 4.29 1519 1039 A 92 TYR H A 91 SER HBy 1.0 . 3.36 1520 1039 A 92 TYR H A 91 SER HBx 1.0 . 3.36 1521 1040 A 92 TYR HB2 A 94 VAL HG1% 1.0 . 4.59 1522 1040 A 92 TYR HB3 A 94 VAL HG1% 1.0 . 4.59 1523 1040 A 94 VAL HG21 A 92 TYR HB2 1.0 . 4.59 1524 1040 A 92 TYR HB3 A 94 VAL HG21 1.0 . 4.59 1525 1041 A 93 ILE HD1% A 106 TRP HBx 1.0 . 4.19 1526 1041 A 93 ILE HD1% A 106 TRP HBy 1.0 . 4.19 1527 1042 A 94 VAL H A 94 VAL HG1% 1.0 . 3.94 1528 1042 A 94 VAL H A 94 VAL HG21 1.0 . 3.94 1529 1043 A 95 ILE H A 94 VAL HG1% 1.0 . 3.59 1530 1043 A 95 ILE H A 94 VAL HG21 1.0 . 3.59 1531 1044 A 96 GLY H A 94 VAL HG1% 1.0 . 5.44 1532 1044 A 96 GLY H A 94 VAL HG21 1.0 . 5.44 1533 1045 A 98 GLY H A 94 VAL HG1% 1.0 . 5.44 1534 1045 A 98 GLY H A 94 VAL HG21 1.0 . 5.44 1535 1046 A 94 VAL HG21 A 101 LYS HD2 1.0 . 3.90 1536 1046 A 94 VAL HG1% A 101 LYS HD2 1.0 . 3.90 1537 1046 A 101 LYS HD3 A 94 VAL HG1% 1.0 . 3.90 1538 1046 A 101 LYS HD3 A 94 VAL HG21 1.0 . 3.90 1539 1047 A 94 VAL HG21 A 101 LYS HE2 1.0 . 3.87 1540 1047 A 94 VAL HG1% A 101 LYS HE2 1.0 . 3.87 1541 1047 A 101 LYS HE3 A 94 VAL HG1% 1.0 . 3.87 1542 1047 A 101 LYS HE3 A 94 VAL HG21 1.0 . 3.87 1543 1048 A 103 THR H A 94 VAL HG1% 1.0 . 4.89 1544 1048 A 103 THR H A 94 VAL HG21 1.0 . 4.89 1545 1049 A 103 THR HA A 94 VAL HG1% 1.0 . 4.37 1546 1049 A 103 THR HA A 94 VAL HG21 1.0 . 4.37 1547 1050 A 103 THR HB A 94 VAL HG1% 1.0 . 4.96 1548 1050 A 103 THR HB A 94 VAL HG21 1.0 . 4.96 1549 1051 A 103 THR HG2% A 94 VAL HG1% 1.0 . 2.80 1550 1051 A 103 THR HG2% A 94 VAL HG21 1.0 . 2.80 1551 1052 A 95 ILE HG2% A 96 GLY HAy 1.0 . 4.78 1552 1052 A 95 ILE HG2% A 96 GLY HAx 1.0 . 4.78 1553 1053 A 96 GLY HAx A 97 VAL HG1% 1.0 . 4.67 1554 1053 A 96 GLY HAy A 97 VAL HG1% 1.0 . 4.67 1555 1053 A 97 VAL HG2% A 96 GLY HAy 1.0 . 4.67 1556 1053 A 97 VAL HG2% A 96 GLY HAx 1.0 . 4.67 1557 1054 A 99 GLU H A 99 GLU HBx 1.0 . 3.65 1558 1054 A 99 GLU H A 99 GLU HBy 1.0 . 3.65 1559 1055 A 99 GLU HG2 A 100 LYS HDx 1.0 . 5.34 1560 1055 A 99 GLU HG3 A 100 LYS HDx 1.0 . 5.34 1561 1055 A 100 LYS HDy A 99 GLU HG2 1.0 . 5.34 1562 1055 A 99 GLU HG3 A 100 LYS HDy 1.0 . 5.34 1563 1056 A 100 LYS H A 100 LYS HBy 1.0 . 3.14 1564 1056 A 100 LYS H A 100 LYS HBx 1.0 . 3.14 1565 1057 A 100 LYS HA A 100 LYS HDx 1.0 . 3.89 1566 1057 A 100 LYS HA A 100 LYS HDy 1.0 . 3.89 1567 1058 A 101 LYS H A 101 LYS HBy 1.0 . 3.44 1568 1058 A 101 LYS H A 101 LYS HBx 1.0 . 3.44 1569 1059 A 102 ILE H A 101 LYS HBy 1.0 . 3.90 1570 1059 A 102 ILE H A 101 LYS HBx 1.0 . 3.90 1571 1060 A 102 ILE HG2% A 101 LYS HBy 1.0 . 4.58 1572 1060 A 102 ILE HG2% A 101 LYS HBx 1.0 . 4.58 1573 1061 A 106 TRP H A 106 TRP HBx 1.0 . 3.64 1574 1061 A 106 TRP H A 106 TRP HBy 1.0 . 3.64 1575 1062 A 108 ARG H A 108 ARG HBy 1.0 . 3.54 1576 1062 A 108 ARG H A 108 ARG HBx 1.0 . 3.54 1577 1063 A 108 ARG HBx A 108 ARG HD2 1.0 . 3.65 1578 1063 A 108 ARG HBy A 108 ARG HD2 1.0 . 3.65 1579 1063 A 108 ARG HD3 A 108 ARG HBy 1.0 . 3.65 1580 1063 A 108 ARG HD3 A 108 ARG HBx 1.0 . 3.65 1581 1064 A 113 ILE H A 113 ILE HG1y 1.0 . 4.20 1582 1064 A 113 ILE H A 113 ILE HG1x 1.0 . 4.20 1583 1065 A 113 ILE HG2% A 113 ILE HG1y 1.0 . 3.20 1584 1065 A 113 ILE HG2% A 113 ILE HG1x 1.0 . 3.20 1585 1066 A 114 GLY H A 113 ILE HG1y 1.0 . 5.34 1586 1066 A 114 GLY H A 113 ILE HG1x 1.0 . 5.34 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 10 . 2 ppm 13C 70 . 3 ppm 1H 16 . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 10 . 2 ppm 15N 30 . 3 ppm 1H 16 . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 10 . 2 ppm 13C 40 . 3 ppm 1H 16 . stop_ save_