data_nef_c18605_2lw4 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 TargetDB HR8682B 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 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 PRO middle . false 5 A 5 VAL middle . . 6 A 6 PRO middle . false 7 A 7 VAL middle . . 8 A 8 THR middle . . 9 A 9 CYS middle . . 10 A 10 ASP middle . . 11 A 11 ALA middle . . 12 A 12 VAL middle . . 13 A 13 ARG middle . . 14 A 14 ASN middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle . . 17 A 17 ARG middle . . 18 A 18 GLU middle . . 19 A 19 MET middle . . 20 A 20 LEU middle . . 21 A 21 THR middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 LEU middle . . 25 A 25 GLN middle . . 26 A 26 THR middle . . 27 A 27 ASP middle . . 28 A 28 HIS middle . . 29 A 29 ASP middle . . 30 A 30 HIS middle . . 31 A 31 VAL middle . . 32 A 32 ALA middle . . 33 A 33 ILE middle . . 34 A 34 GLY middle . false 35 A 35 ALA middle . . 36 A 36 ASP middle . . 37 A 37 CYS middle . . 38 A 38 GLU middle . . 39 A 39 ARG middle . . 40 A 40 LEU middle . . 41 A 41 SER middle . . 42 A 42 ALA middle . . 43 A 43 GLN middle . . 44 A 44 ILE middle . . 45 A 45 GLU middle . . 46 A 46 GLU middle . . 47 A 47 CYS middle . . 48 A 48 ILE middle . . 49 A 49 PHE middle . . 50 A 50 ARG middle . . 51 A 51 ASP middle . . 52 A 52 VAL middle . . 53 A 53 GLY middle . false 54 A 54 ASN middle . . 55 A 55 THR middle . . 56 A 56 ASP middle . . 57 A 57 MET middle . . 58 A 58 LYS middle . . 59 A 59 TYR middle . . 60 A 60 LYS middle . . 61 A 61 ASN middle . . 62 A 62 ARG middle . . 63 A 63 VAL middle . . 64 A 64 ARG middle . . 65 A 65 SER middle . . 66 A 66 ARG middle . . 67 A 67 ILE middle . . 68 A 68 SER middle . . 69 A 69 ASN middle . . 70 A 70 LEU middle . . 71 A 71 LYS middle . . 72 A 72 ASP middle . . 73 A 73 ALA middle . . 74 A 74 LYS middle . . 75 A 75 ASN middle . . 76 A 76 PRO middle . false 77 A 77 ASP middle . . 78 A 78 LEU middle . . 79 A 79 ARG middle . . 80 A 80 ARG middle . . 81 A 81 ASN middle . . 82 A 82 VAL middle . . 83 A 83 LEU middle . . 84 A 84 CYS middle . . 85 A 85 GLY middle . false 86 A 86 ALA middle . . 87 A 87 ILE middle . . 88 A 88 THR middle . . 89 A 89 PRO middle . false 90 A 90 GLN middle . . 91 A 91 GLN middle . . 92 A 92 ILE middle . . 93 A 93 ALA middle . . 94 A 94 VAL middle . . 95 A 95 MET middle . . 96 A 96 THR middle . . 97 A 97 SER middle . . 98 A 98 GLU middle . . 99 A 99 GLU middle . . 100 A 100 MET middle . . 101 A 101 ALA middle . . 102 A 102 SER middle . . 103 A 103 ASP middle . . 104 A 104 GLU middle . . 105 A 105 LEU middle . . 106 A 106 LYS middle . . 107 A 107 GLU middle . . 108 A 108 ILE middle . . 109 A 109 ARG middle . . 110 A 110 LYS middle . . 111 A 111 ALA middle . . 112 A 112 MET middle . . 113 A 113 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 MET HA H 1 4.750 0.02 A 3 MET HBx H 1 1.884 0.02 A 3 MET HBy H 1 2.006 0.02 A 3 MET HE% H 1 2.093 0.02 A 3 MET HGx H 1 2.464 0.02 A 3 MET HGy H 1 2.550 0.02 A 3 MET CA C 13 52.894 0.2 A 3 MET CB C 13 32.349 0.2 A 3 MET CE C 13 16.855 0.2 A 3 MET CG C 13 31.887 0.2 A 4 PRO HA H 1 4.426 0.02 A 4 PRO HBy H 1 2.258 0.02 A 4 PRO HBx H 1 1.848 0.02 A 4 PRO HDy H 1 3.751 0.02 A 4 PRO HDx H 1 3.643 0.02 A 4 PRO HG2 H 1 1.988 0.02 A 4 PRO HG3 H 1 1.988 0.02 A 4 PRO C C 13 175.065 0.2 A 4 PRO CA C 13 62.821 0.2 A 4 PRO CB C 13 31.900 0.2 A 4 PRO CD C 13 50.579 0.2 A 4 PRO CG C 13 27.244 0.2 A 5 VAL H H 1 8.239 0.02 A 5 VAL HA H 1 4.350 0.02 A 5 VAL HB H 1 2.018 0.02 A 5 VAL HG1% H 1 0.950 0.02 A 5 VAL HG2% H 1 0.950 0.02 A 5 VAL C C 13 174.516 0.2 A 5 VAL CA C 13 59.715 0.2 A 5 VAL CB C 13 32.515 0.2 A 5 VAL CG1 C 13 20.804 0.2 A 5 VAL N N 15 121.932 0.2 A 6 PRO HA H 1 4.447 0.02 A 6 PRO HB2 H 1 2.252 0.02 A 6 PRO HB3 H 1 1.863 0.02 A 6 PRO HDy H 1 3.871 0.02 A 6 PRO HDx H 1 3.608 0.02 A 6 PRO HGy H 1 2.013 0.02 A 6 PRO HGx H 1 1.957 0.02 A 6 PRO C C 13 176.861 0.2 A 6 PRO CA C 13 62.800 0.2 A 6 PRO CB C 13 31.911 0.2 A 6 PRO CD C 13 50.940 0.2 A 6 PRO CG C 13 27.333 0.2 A 7 VAL H H 1 8.298 0.02 A 7 VAL HA H 1 4.153 0.02 A 7 VAL HB H 1 2.062 0.02 A 7 VAL HG1% H 1 0.917 0.02 A 7 VAL HG2% H 1 0.934 0.02 A 7 VAL C C 13 176.153 0.2 A 7 VAL CA C 13 61.900 0.2 A 7 VAL CB C 13 32.865 0.2 A 7 VAL CG1 C 13 21.114 0.2 A 7 VAL CG2 C 13 20.214 0.2 A 7 VAL N N 15 120.878 0.2 A 8 THR H H 1 8.231 0.02 A 8 THR HA H 1 4.503 0.02 A 8 THR HB H 1 4.132 0.02 A 8 THR HG2% H 1 1.028 0.02 A 8 THR C C 13 173.914 0.2 A 8 THR CA C 13 60.954 0.2 A 8 THR CB C 13 70.011 0.2 A 8 THR CG2 C 13 20.533 0.2 A 8 THR N N 15 117.543 0.2 A 9 CYS HA H 1 4.459 0.02 A 9 CYS HB2 H 1 2.871 0.02 A 9 CYS HB3 H 1 2.871 0.02 A 9 CYS CA C 13 58.667 0.2 A 9 CYS CB C 13 28.055 0.2 A 11 ALA HA H 1 4.145 0.02 A 11 ALA HB% H 1 1.482 0.02 A 11 ALA CA C 13 55.254 0.2 A 11 ALA CB C 13 18.553 0.2 A 12 VAL H H 1 8.106 0.02 A 12 VAL HA H 1 3.747 0.02 A 12 VAL HB H 1 2.332 0.02 A 12 VAL HG1% H 1 1.143 0.02 A 12 VAL HG2% H 1 1.136 0.02 A 12 VAL C C 13 178.503 0.2 A 12 VAL CA C 13 66.268 0.2 A 12 VAL CB C 13 31.773 0.2 A 12 VAL CG1 C 13 21.153 0.2 A 12 VAL CG2 C 13 22.705 0.2 A 12 VAL N N 15 120.937 0.2 A 13 ARG H H 1 7.923 0.02 A 13 ARG HA H 1 4.342 0.02 A 13 ARG HBx H 1 1.562 0.02 A 13 ARG HBy H 1 1.775 0.02 A 13 ARG C C 13 179.473 0.2 A 13 ARG CA C 13 59.649 0.2 A 13 ARG CB C 13 30.039 0.2 A 13 ARG N N 15 119.961 0.2 A 14 ASN H H 1 8.253 0.02 A 14 ASN HA H 1 4.301 0.02 A 14 ASN HBx H 1 2.727 0.02 A 14 ASN HBy H 1 2.773 0.02 A 14 ASN HD2y H 1 7.478 0.02 A 14 ASN HD2x H 1 6.919 0.02 A 14 ASN C C 13 177.948 0.2 A 14 ASN CA C 13 56.480 0.2 A 14 ASN CB C 13 38.124 0.2 A 14 ASN N N 15 116.063 0.2 A 14 ASN ND2 N 15 113.425 0.2 A 15 LYS H H 1 7.927 0.02 A 15 LYS HA H 1 4.219 0.02 A 15 LYS HBy H 1 2.124 0.02 A 15 LYS HBx H 1 2.026 0.02 A 15 LYS HD2 H 1 1.770 0.02 A 15 LYS HD3 H 1 1.770 0.02 A 15 LYS HE2 H 1 2.986 0.02 A 15 LYS HE3 H 1 2.986 0.02 A 15 LYS HGy H 1 1.589 0.02 A 15 LYS HGx H 1 1.544 0.02 A 15 LYS C C 13 179.200 0.2 A 15 LYS CA C 13 58.257 0.2 A 15 LYS CB C 13 31.278 0.2 A 15 LYS CD C 13 28.059 0.2 A 15 LYS CE C 13 41.996 0.2 A 15 LYS CG C 13 24.528 0.2 A 15 LYS N N 15 121.597 0.2 A 16 CYS H H 1 8.454 0.02 A 16 CYS HA H 1 4.188 0.02 A 16 CYS HBx H 1 2.652 0.02 A 16 CYS HBy H 1 3.512 0.02 A 16 CYS C C 13 177.413 0.2 A 16 CYS CA C 13 64.771 0.2 A 16 CYS CB C 13 27.029 0.2 A 16 CYS N N 15 118.272 0.2 A 17 ARG H H 1 8.434 0.02 A 17 ARG HA H 1 3.843 0.02 A 17 ARG HB2 H 1 2.021 0.02 A 17 ARG HB3 H 1 2.021 0.02 A 17 ARG C C 13 178.977 0.2 A 17 ARG CA C 13 60.493 0.2 A 17 ARG CB C 13 29.800 0.2 A 17 ARG N N 15 119.572 0.2 A 18 GLU H H 1 8.081 0.02 A 18 GLU HA H 1 4.035 0.02 A 18 GLU HBy H 1 2.314 0.02 A 18 GLU HBx H 1 2.174 0.02 A 18 GLU HGy H 1 2.481 0.02 A 18 GLU HGx H 1 2.189 0.02 A 18 GLU C C 13 180.021 0.2 A 18 GLU CA C 13 59.876 0.2 A 18 GLU CB C 13 29.437 0.2 A 18 GLU CG C 13 36.200 0.2 A 18 GLU N N 15 121.510 0.2 A 19 MET H H 1 8.295 0.02 A 19 MET HA H 1 4.181 0.02 A 19 MET HB2 H 1 2.088 0.02 A 19 MET HB3 H 1 2.088 0.02 A 19 MET HE% H 1 2.058 0.02 A 19 MET HGx H 1 2.551 0.02 A 19 MET HGy H 1 2.885 0.02 A 19 MET C C 13 180.013 0.2 A 19 MET CA C 13 58.854 0.2 A 19 MET CB C 13 33.976 0.2 A 19 MET CE C 13 16.626 0.2 A 19 MET CG C 13 31.607 0.2 A 19 MET N N 15 119.065 0.2 A 20 LEU H H 1 8.453 0.02 A 20 LEU HA H 1 3.893 0.02 A 20 LEU HBy H 1 2.191 0.02 A 20 LEU HBx H 1 1.242 0.02 A 20 LEU HD1% H 1 0.767 0.02 A 20 LEU HD2% H 1 0.729 0.02 A 20 LEU HG H 1 1.576 0.02 A 20 LEU C C 13 178.090 0.2 A 20 LEU CA C 13 58.506 0.2 A 20 LEU CB C 13 42.318 0.2 A 20 LEU CD1 C 13 25.425 0.2 A 20 LEU CD2 C 13 24.204 0.2 A 20 LEU CG C 13 27.593 0.2 A 20 LEU N N 15 123.057 0.2 A 21 THR H H 1 8.548 0.02 A 21 THR HA H 1 3.455 0.02 A 21 THR HB H 1 4.253 0.02 A 21 THR HG1 H 1 4.863 0.02 A 21 THR HG2% H 1 0.865 0.02 A 21 THR C C 13 175.577 0.2 A 21 THR CA C 13 67.728 0.2 A 21 THR CB C 13 67.722 0.2 A 21 THR CG2 C 13 22.232 0.2 A 21 THR N N 15 118.971 0.2 A 22 ALA H H 1 7.410 0.02 A 22 ALA HA H 1 4.037 0.02 A 22 ALA HB% H 1 1.433 0.02 A 22 ALA C C 13 180.744 0.2 A 22 ALA CA C 13 54.634 0.2 A 22 ALA CB C 13 17.611 0.2 A 22 ALA N N 15 120.598 0.2 A 23 ALA H H 1 7.760 0.02 A 23 ALA HA H 1 3.848 0.02 A 23 ALA HB% H 1 1.543 0.02 A 23 ALA C C 13 181.112 0.2 A 23 ALA CA C 13 54.880 0.2 A 23 ALA CB C 13 19.015 0.2 A 23 ALA N N 15 119.603 0.2 A 24 LEU H H 1 8.263 0.02 A 24 LEU HA H 1 3.848 0.02 A 24 LEU HBx H 1 1.570 0.02 A 24 LEU HBy H 1 2.010 0.02 A 24 LEU HD1% H 1 0.802 0.02 A 24 LEU HD2% H 1 0.798 0.02 A 24 LEU HG H 1 1.789 0.02 A 24 LEU C C 13 176.209 0.2 A 24 LEU CA C 13 57.444 0.2 A 24 LEU CB C 13 41.344 0.2 A 24 LEU CD1 C 13 26.695 0.2 A 24 LEU CD2 C 13 23.573 0.2 A 24 LEU CG C 13 26.801 0.2 A 24 LEU N N 15 118.860 0.2 A 25 GLN H H 1 7.253 0.02 A 25 GLN HA H 1 4.182 0.02 A 25 GLN HB2 H 1 1.984 0.02 A 25 GLN HB3 H 1 1.984 0.02 A 25 GLN HE21 H 1 6.745 0.02 A 25 GLN HE22 H 1 6.745 0.02 A 25 GLN HG2 H 1 2.401 0.02 A 25 GLN HG3 H 1 2.401 0.02 A 25 GLN C C 13 175.995 0.2 A 25 GLN CA C 13 55.700 0.2 A 25 GLN CB C 13 28.000 0.2 A 25 GLN CG C 13 34.676 0.2 A 25 GLN N N 15 115.126 0.2 A 25 GLN NE2 N 15 109.971 0.2 A 26 THR H H 1 7.216 0.02 A 26 THR HA H 1 3.760 0.02 A 26 THR HB H 1 3.808 0.02 A 26 THR HG2% H 1 1.199 0.02 A 26 THR C C 13 174.185 0.2 A 26 THR CA C 13 66.010 0.2 A 26 THR CB C 13 69.690 0.2 A 26 THR CG2 C 13 20.899 0.2 A 26 THR N N 15 117.530 0.2 A 27 ASP H H 1 9.046 0.02 A 27 ASP HA H 1 4.234 0.02 A 27 ASP HBy H 1 3.005 0.02 A 27 ASP HBx H 1 2.847 0.02 A 27 ASP C C 13 174.471 0.2 A 27 ASP CA C 13 56.355 0.2 A 27 ASP CB C 13 39.281 0.2 A 27 ASP N N 15 123.462 0.2 A 28 HIS H H 1 8.439 0.02 A 28 HIS HA H 1 4.501 0.02 A 28 HIS HB2 H 1 3.366 0.02 A 28 HIS HB3 H 1 3.280 0.02 A 28 HIS HD2 H 1 7.028 0.02 A 28 HIS C C 13 178.457 0.2 A 28 HIS CA C 13 57.736 0.2 A 28 HIS CB C 13 28.552 0.2 A 28 HIS CD2 C 13 119.245 0.2 A 28 HIS N N 15 110.867 0.2 A 29 ASP H H 1 7.768 0.02 A 29 ASP HA H 1 4.381 0.02 A 29 ASP HBx H 1 2.557 0.02 A 29 ASP HBy H 1 2.931 0.02 A 29 ASP C C 13 177.668 0.2 A 29 ASP CA C 13 57.711 0.2 A 29 ASP CB C 13 40.904 0.2 A 29 ASP N N 15 121.897 0.2 A 30 HIS H H 1 9.027 0.02 A 30 HIS HA H 1 4.051 0.02 A 30 HIS HBx H 1 2.925 0.02 A 30 HIS HBy H 1 3.064 0.02 A 30 HIS C C 13 176.133 0.2 A 30 HIS CA C 13 58.858 0.2 A 30 HIS CB C 13 31.276 0.2 A 30 HIS N N 15 114.885 0.2 A 31 VAL H H 1 6.740 0.02 A 31 VAL HA H 1 3.457 0.02 A 31 VAL HB H 1 1.904 0.02 A 31 VAL HG1% H 1 0.822 0.02 A 31 VAL HG2% H 1 0.449 0.02 A 31 VAL C C 13 178.437 0.2 A 31 VAL CA C 13 65.404 0.2 A 31 VAL CB C 13 31.250 0.2 A 31 VAL CG1 C 13 20.534 0.2 A 31 VAL CG2 C 13 21.042 0.2 A 31 VAL N N 15 122.236 0.2 A 32 ALA H H 1 7.759 0.02 A 32 ALA HA H 1 4.130 0.02 A 32 ALA HB% H 1 1.512 0.02 A 32 ALA C C 13 179.257 0.2 A 32 ALA CA C 13 54.351 0.2 A 32 ALA CB C 13 18.380 0.2 A 32 ALA N N 15 121.761 0.2 A 33 ILE H H 1 7.265 0.02 A 33 ILE HA H 1 3.986 0.02 A 33 ILE HB H 1 1.659 0.02 A 33 ILE HD1% H 1 0.882 0.02 A 33 ILE HG1x H 1 1.170 0.02 A 33 ILE HG1y H 1 1.673 0.02 A 33 ILE HG2% H 1 0.865 0.02 A 33 ILE C C 13 176.187 0.2 A 33 ILE CA C 13 61.749 0.2 A 33 ILE CB C 13 39.759 0.2 A 33 ILE CD1 C 13 14.597 0.2 A 33 ILE CG1 C 13 29.120 0.2 A 33 ILE CG2 C 13 17.455 0.2 A 33 ILE N N 15 113.228 0.2 A 34 GLY H H 1 7.852 0.02 A 34 GLY HAy H 1 4.045 0.02 A 34 GLY HAx H 1 3.870 0.02 A 34 GLY C C 13 174.831 0.2 A 34 GLY CA C 13 45.732 0.2 A 34 GLY N N 15 109.997 0.2 A 35 ALA H H 1 7.389 0.02 A 35 ALA HA H 1 4.415 0.02 A 35 ALA HB% H 1 1.386 0.02 A 35 ALA C C 13 176.064 0.2 A 35 ALA CA C 13 51.557 0.2 A 35 ALA CB C 13 21.756 0.2 A 35 ALA N N 15 121.323 0.2 A 36 ASP H H 1 8.738 0.02 A 36 ASP HA H 1 4.785 0.02 A 36 ASP HBx H 1 2.598 0.02 A 36 ASP HBy H 1 3.037 0.02 A 36 ASP C C 13 176.743 0.2 A 36 ASP CA C 13 52.244 0.2 A 36 ASP CB C 13 40.148 0.2 A 36 ASP N N 15 121.626 0.2 A 37 CYS H H 1 8.682 0.02 A 37 CYS HA H 1 3.907 0.02 A 37 CYS HBy H 1 2.877 0.02 A 37 CYS HBx H 1 2.635 0.02 A 37 CYS HG H 1 1.028 0.02 A 37 CYS C C 13 176.080 0.2 A 37 CYS CA C 13 63.810 0.2 A 37 CYS CB C 13 27.281 0.2 A 37 CYS N N 15 122.249 0.2 A 38 GLU H H 1 8.545 0.02 A 38 GLU HA H 1 4.132 0.02 A 38 GLU HBx H 1 2.019 0.02 A 38 GLU HBy H 1 2.108 0.02 A 38 GLU HG2 H 1 2.273 0.02 A 38 GLU HG3 H 1 2.273 0.02 A 38 GLU C C 13 179.108 0.2 A 38 GLU CA C 13 59.517 0.2 A 38 GLU CB C 13 29.084 0.2 A 38 GLU CG C 13 37.037 0.2 A 38 GLU N N 15 120.675 0.2 A 39 ARG H H 1 7.698 0.02 A 39 ARG HA H 1 4.042 0.02 A 39 ARG HB2 H 1 1.768 0.02 A 39 ARG HB3 H 1 1.768 0.02 A 39 ARG HD2 H 1 3.203 0.02 A 39 ARG HD3 H 1 3.203 0.02 A 39 ARG HGx H 1 1.534 0.02 A 39 ARG HGy H 1 1.676 0.02 A 39 ARG C C 13 178.743 0.2 A 39 ARG CA C 13 58.811 0.2 A 39 ARG CB C 13 29.905 0.2 A 39 ARG CD C 13 43.241 0.2 A 39 ARG CG C 13 27.281 0.2 A 39 ARG N N 15 121.757 0.2 A 40 LEU H H 1 8.007 0.02 A 40 LEU HA H 1 4.159 0.02 A 40 LEU HBx H 1 1.232 0.02 A 40 LEU HBy H 1 1.771 0.02 A 40 LEU HD1% H 1 0.980 0.02 A 40 LEU HD2% H 1 0.942 0.02 A 40 LEU HG H 1 1.771 0.02 A 40 LEU C C 13 178.912 0.2 A 40 LEU CA C 13 57.739 0.2 A 40 LEU CB C 13 43.274 0.2 A 40 LEU CD1 C 13 25.781 0.2 A 40 LEU CD2 C 13 23.905 0.2 A 40 LEU CG C 13 26.989 0.2 A 40 LEU N N 15 118.833 0.2 A 41 SER H H 1 8.353 0.02 A 41 SER HA H 1 3.778 0.02 A 41 SER HBy H 1 3.871 0.02 A 41 SER HBx H 1 3.820 0.02 A 41 SER HG H 1 4.441 0.02 A 41 SER C C 13 176.029 0.2 A 41 SER CA C 13 60.941 0.2 A 41 SER CB C 13 63.254 0.2 A 41 SER N N 15 113.901 0.2 A 42 ALA H H 1 7.598 0.02 A 42 ALA HA H 1 3.955 0.02 A 42 ALA HB% H 1 1.542 0.02 A 42 ALA C C 13 180.422 0.2 A 42 ALA CA C 13 55.280 0.2 A 42 ALA CB C 13 18.002 0.2 A 42 ALA N N 15 121.022 0.2 A 43 GLN H H 1 8.042 0.02 A 43 GLN HA H 1 4.127 0.02 A 43 GLN HBx H 1 1.985 0.02 A 43 GLN HBy H 1 2.358 0.02 A 43 GLN HE2y H 1 7.253 0.02 A 43 GLN HE2x H 1 6.706 0.02 A 43 GLN HGx H 1 2.365 0.02 A 43 GLN HGy H 1 2.693 0.02 A 43 GLN C C 13 179.196 0.2 A 43 GLN CA C 13 58.936 0.2 A 43 GLN CB C 13 29.219 0.2 A 43 GLN CG C 13 34.362 0.2 A 43 GLN N N 15 116.825 0.2 A 43 GLN NE2 N 15 109.561 0.2 A 44 ILE H H 1 8.895 0.02 A 44 ILE HA H 1 3.407 0.02 A 44 ILE HB H 1 1.835 0.02 A 44 ILE HD1% H 1 0.724 0.02 A 44 ILE HG1x H 1 0.913 0.02 A 44 ILE HG1y H 1 2.043 0.02 A 44 ILE HG2% H 1 0.731 0.02 A 44 ILE C C 13 177.345 0.2 A 44 ILE CA C 13 65.782 0.2 A 44 ILE CB C 13 38.717 0.2 A 44 ILE CD1 C 13 14.376 0.2 A 44 ILE CG1 C 13 27.874 0.2 A 44 ILE CG2 C 13 16.862 0.2 A 44 ILE N N 15 120.039 0.2 A 45 GLU H H 1 9.093 0.02 A 45 GLU HA H 1 3.589 0.02 A 45 GLU HBx H 1 1.704 0.02 A 45 GLU HBy H 1 2.395 0.02 A 45 GLU C C 13 177.802 0.2 A 45 GLU CA C 13 62.052 0.2 A 45 GLU CB C 13 28.700 0.2 A 45 GLU N N 15 120.048 0.2 A 46 GLU H H 1 8.217 0.02 A 46 GLU HA H 1 3.985 0.02 A 46 GLU HBx H 1 2.083 0.02 A 46 GLU HBy H 1 2.263 0.02 A 46 GLU HGx H 1 2.254 0.02 A 46 GLU HGy H 1 2.409 0.02 A 46 GLU C C 13 178.743 0.2 A 46 GLU CA C 13 59.257 0.2 A 46 GLU CB C 13 28.900 0.2 A 46 GLU CG C 13 34.900 0.2 A 46 GLU N N 15 119.074 0.2 A 47 CYS H H 1 7.820 0.02 A 47 CYS HA H 1 4.095 0.02 A 47 CYS HBy H 1 2.990 0.02 A 47 CYS HBx H 1 2.658 0.02 A 47 CYS C C 13 178.324 0.2 A 47 CYS CA C 13 64.156 0.2 A 47 CYS CB C 13 27.576 0.2 A 47 CYS N N 15 116.684 0.2 A 48 ILE H H 1 8.459 0.02 A 48 ILE HA H 1 3.553 0.02 A 48 ILE HB H 1 2.057 0.02 A 48 ILE HD1% H 1 0.614 0.02 A 48 ILE HG12 H 1 1.036 0.02 A 48 ILE HG13 H 1 1.036 0.02 A 48 ILE HG2% H 1 0.884 0.02 A 48 ILE C C 13 176.879 0.2 A 48 ILE CA C 13 66.673 0.2 A 48 ILE CB C 13 38.054 0.2 A 48 ILE CD1 C 13 15.165 0.2 A 48 ILE CG1 C 13 28.667 0.2 A 48 ILE CG2 C 13 17.239 0.2 A 48 ILE N N 15 122.046 0.2 A 49 PHE H H 1 9.292 0.02 A 49 PHE HA H 1 4.183 0.02 A 49 PHE HB2 H 1 3.492 0.02 A 49 PHE HB3 H 1 3.092 0.02 A 49 PHE HD1 H 1 6.809 0.02 A 49 PHE HD2 H 1 6.809 0.02 A 49 PHE HE1 H 1 6.996 0.02 A 49 PHE HE2 H 1 6.996 0.02 A 49 PHE C C 13 178.426 0.2 A 49 PHE CA C 13 62.564 0.2 A 49 PHE CB C 13 39.364 0.2 A 49 PHE CD1 C 13 130.989 0.2 A 49 PHE CD2 C 13 130.989 0.2 A 49 PHE CE1 C 13 130.730 0.2 A 49 PHE CE2 C 13 130.730 0.2 A 49 PHE N N 15 120.541 0.2 A 50 ARG H H 1 8.835 0.02 A 50 ARG HA H 1 3.775 0.02 A 50 ARG HBx H 1 1.851 0.02 A 50 ARG HBy H 1 1.937 0.02 A 50 ARG HD2 H 1 3.200 0.02 A 50 ARG HD3 H 1 3.200 0.02 A 50 ARG HGx H 1 1.777 0.02 A 50 ARG HGy H 1 1.957 0.02 A 50 ARG C C 13 178.022 0.2 A 50 ARG CA C 13 58.100 0.2 A 50 ARG CB C 13 29.824 0.2 A 50 ARG CD C 13 43.100 0.2 A 50 ARG CG C 13 27.584 0.2 A 50 ARG N N 15 117.046 0.2 A 51 ASP H H 1 7.605 0.02 A 51 ASP HA H 1 4.460 0.02 A 51 ASP HBx H 1 2.655 0.02 A 51 ASP HBy H 1 2.691 0.02 A 51 ASP C C 13 176.932 0.2 A 51 ASP CA C 13 56.876 0.2 A 51 ASP CB C 13 43.200 0.2 A 51 ASP N N 15 117.780 0.2 A 52 VAL H H 1 8.110 0.02 A 52 VAL HA H 1 3.830 0.02 A 52 VAL HB H 1 2.138 0.02 A 52 VAL HG1% H 1 1.005 0.02 A 52 VAL HG2% H 1 1.038 0.02 A 52 VAL C C 13 177.784 0.2 A 52 VAL CA C 13 64.831 0.2 A 52 VAL CB C 13 33.108 0.2 A 52 VAL CG1 C 13 22.978 0.2 A 52 VAL CG2 C 13 22.071 0.2 A 52 VAL N N 15 115.698 0.2 A 53 GLY H H 1 8.660 0.02 A 53 GLY HAx H 1 3.154 0.02 A 53 GLY HAy H 1 3.965 0.02 A 53 GLY C C 13 172.918 0.2 A 53 GLY CA C 13 44.996 0.2 A 53 GLY N N 15 106.768 0.2 A 54 ASN H H 1 7.464 0.02 A 54 ASN HA H 1 4.675 0.02 A 54 ASN HB2 H 1 2.938 0.02 A 54 ASN HB3 H 1 2.938 0.02 A 54 ASN HD2y H 1 7.661 0.02 A 54 ASN HD2x H 1 6.658 0.02 A 54 ASN C C 13 172.444 0.2 A 54 ASN CA C 13 52.026 0.2 A 54 ASN CB C 13 39.329 0.2 A 54 ASN N N 15 113.447 0.2 A 54 ASN ND2 N 15 115.028 0.2 A 55 THR HA H 1 4.203 0.02 A 55 THR HB H 1 4.377 0.02 A 55 THR HG2% H 1 0.564 0.02 A 55 THR CA C 13 59.539 0.2 A 55 THR CB C 13 67.349 0.2 A 55 THR CG2 C 13 20.844 0.2 A 58 LYS HA H 1 4.120 0.02 A 58 LYS HBy H 1 2.018 0.02 A 58 LYS HBx H 1 1.851 0.02 A 58 LYS HD2 H 1 1.764 0.02 A 58 LYS HD3 H 1 1.764 0.02 A 58 LYS HEx H 1 2.983 0.02 A 58 LYS HEy H 1 3.044 0.02 A 58 LYS HGy H 1 1.609 0.02 A 58 LYS HGx H 1 1.389 0.02 A 58 LYS CA C 13 60.037 0.2 A 58 LYS CB C 13 31.912 0.2 A 58 LYS CD C 13 29.409 0.2 A 58 LYS CE C 13 42.033 0.2 A 58 LYS CG C 13 25.496 0.2 A 59 TYR H H 1 7.497 0.02 A 59 TYR HA H 1 3.980 0.02 A 59 TYR HB2 H 1 3.458 0.02 A 59 TYR HB3 H 1 3.357 0.02 A 59 TYR HD1 H 1 6.878 0.02 A 59 TYR HD2 H 1 6.878 0.02 A 59 TYR HE1 H 1 6.881 0.02 A 59 TYR HE2 H 1 6.881 0.02 A 59 TYR CA C 13 61.466 0.2 A 59 TYR CB C 13 38.591 0.2 A 59 TYR CD1 C 13 132.998 0.2 A 59 TYR CD2 C 13 132.998 0.2 A 59 TYR CE1 C 13 118.555 0.2 A 59 TYR CE2 C 13 118.555 0.2 A 59 TYR N N 15 121.686 0.2 A 60 LYS H H 1 8.441 0.02 A 60 LYS HA H 1 3.642 0.02 A 60 LYS HB2 H 1 1.856 0.02 A 60 LYS HB3 H 1 1.856 0.02 A 60 LYS HD2 H 1 1.786 0.02 A 60 LYS HD3 H 1 1.786 0.02 A 60 LYS HE2 H 1 3.071 0.02 A 60 LYS HE3 H 1 3.071 0.02 A 60 LYS HGx H 1 1.385 0.02 A 60 LYS HGy H 1 1.830 0.02 A 60 LYS C C 13 179.670 0.2 A 60 LYS CA C 13 60.271 0.2 A 60 LYS CB C 13 32.145 0.2 A 60 LYS CD C 13 29.642 0.2 A 60 LYS CE C 13 42.052 0.2 A 60 LYS CG C 13 26.331 0.2 A 60 LYS N N 15 119.971 0.2 A 61 ASN H H 1 8.888 0.02 A 61 ASN HA H 1 4.497 0.02 A 61 ASN HBy H 1 2.929 0.02 A 61 ASN HBx H 1 2.834 0.02 A 61 ASN C C 13 178.020 0.2 A 61 ASN CA C 13 55.459 0.2 A 61 ASN CB C 13 37.699 0.2 A 61 ASN N N 15 117.338 0.2 A 62 ARG H H 1 7.878 0.02 A 62 ARG HA H 1 4.180 0.02 A 62 ARG HB2 H 1 1.997 0.02 A 62 ARG HB3 H 1 1.997 0.02 A 62 ARG C C 13 179.165 0.2 A 62 ARG CA C 13 57.300 0.2 A 62 ARG CB C 13 27.400 0.2 A 62 ARG N N 15 123.629 0.2 A 63 VAL H H 1 8.494 0.02 A 63 VAL HA H 1 3.248 0.02 A 63 VAL HB H 1 2.018 0.02 A 63 VAL HG1% H 1 0.840 0.02 A 63 VAL HG2% H 1 0.588 0.02 A 63 VAL C C 13 177.841 0.2 A 63 VAL CA C 13 68.279 0.2 A 63 VAL CB C 13 31.537 0.2 A 63 VAL CG1 C 13 21.134 0.2 A 63 VAL CG2 C 13 21.660 0.2 A 63 VAL N N 15 120.432 0.2 A 64 ARG H H 1 8.341 0.02 A 64 ARG HA H 1 3.875 0.02 A 64 ARG HB2 H 1 1.982 0.02 A 64 ARG HB3 H 1 1.982 0.02 A 64 ARG HD2 H 1 3.223 0.02 A 64 ARG HD3 H 1 3.223 0.02 A 64 ARG HGy H 1 1.792 0.02 A 64 ARG HGx H 1 1.640 0.02 A 64 ARG C C 13 178.636 0.2 A 64 ARG CA C 13 60.204 0.2 A 64 ARG CB C 13 30.056 0.2 A 64 ARG CD C 13 43.273 0.2 A 64 ARG CG C 13 27.562 0.2 A 64 ARG N N 15 118.139 0.2 A 65 SER H H 1 8.401 0.02 A 65 SER HA H 1 4.393 0.02 A 65 SER HBx H 1 3.969 0.02 A 65 SER HBy H 1 4.110 0.02 A 65 SER C C 13 177.925 0.2 A 65 SER CA C 13 60.500 0.2 A 65 SER CB C 13 62.500 0.2 A 65 SER N N 15 113.284 0.2 A 66 ARG H H 1 7.936 0.02 A 66 ARG HA H 1 3.995 0.02 A 66 ARG HBy H 1 2.001 0.02 A 66 ARG HBx H 1 1.701 0.02 A 66 ARG HG2 H 1 1.559 0.02 A 66 ARG HG3 H 1 1.559 0.02 A 66 ARG C C 13 178.281 0.2 A 66 ARG CA C 13 62.113 0.2 A 66 ARG CB C 13 31.592 0.2 A 66 ARG N N 15 124.111 0.2 A 67 ILE H H 1 8.330 0.02 A 67 ILE HA H 1 3.254 0.02 A 67 ILE HB H 1 1.934 0.02 A 67 ILE HD1% H 1 0.802 0.02 A 67 ILE HG12 H 1 1.839 0.02 A 67 ILE HG13 H 1 1.839 0.02 A 67 ILE HG2% H 1 0.861 0.02 A 67 ILE C C 13 177.218 0.2 A 67 ILE CA C 13 66.882 0.2 A 67 ILE CB C 13 37.652 0.2 A 67 ILE CD1 C 13 15.938 0.2 A 67 ILE CG1 C 13 30.465 0.2 A 67 ILE CG2 C 13 17.143 0.2 A 67 ILE N N 15 118.259 0.2 A 68 SER H H 1 8.355 0.02 A 68 SER HA H 1 3.997 0.02 A 68 SER HB2 H 1 3.900 0.02 A 68 SER HB3 H 1 3.900 0.02 A 68 SER C C 13 177.120 0.2 A 68 SER CA C 13 61.708 0.2 A 68 SER CB C 13 62.353 0.2 A 68 SER N N 15 112.402 0.2 A 69 ASN H H 1 7.345 0.02 A 69 ASN HA H 1 4.587 0.02 A 69 ASN HBy H 1 2.741 0.02 A 69 ASN HBx H 1 2.600 0.02 A 69 ASN HD21 H 1 7.778 0.02 A 69 ASN HD22 H 1 7.176 0.02 A 69 ASN C C 13 177.178 0.2 A 69 ASN CA C 13 56.603 0.2 A 69 ASN CB C 13 40.393 0.2 A 69 ASN N N 15 117.530 0.2 A 69 ASN ND2 N 15 113.742 0.2 A 70 LEU H H 1 8.379 0.02 A 70 LEU HA H 1 4.093 0.02 A 70 LEU HB2 H 1 1.966 0.02 A 70 LEU HB3 H 1 1.112 0.02 A 70 LEU HD1% H 1 0.623 0.02 A 70 LEU HD2% H 1 0.738 0.02 A 70 LEU HG H 1 1.862 0.02 A 70 LEU C C 13 176.050 0.2 A 70 LEU CA C 13 57.058 0.2 A 70 LEU CB C 13 42.680 0.2 A 70 LEU CD1 C 13 25.002 0.2 A 70 LEU CD2 C 13 22.377 0.2 A 70 LEU CG C 13 26.621 0.2 A 70 LEU N N 15 119.740 0.2 A 71 LYS H H 1 7.711 0.02 A 71 LYS HA H 1 4.458 0.02 A 71 LYS HB2 H 1 1.819 0.02 A 71 LYS HB3 H 1 1.819 0.02 A 71 LYS HD2 H 1 1.575 0.02 A 71 LYS HD3 H 1 1.575 0.02 A 71 LYS HE2 H 1 2.937 0.02 A 71 LYS HE3 H 1 2.937 0.02 A 71 LYS HGx H 1 1.562 0.02 A 71 LYS HGy H 1 1.621 0.02 A 71 LYS C C 13 175.490 0.2 A 71 LYS CA C 13 55.848 0.2 A 71 LYS CB C 13 32.900 0.2 A 71 LYS CD C 13 29.400 0.2 A 71 LYS CE C 13 41.420 0.2 A 71 LYS CG C 13 23.895 0.2 A 71 LYS N N 15 114.384 0.2 A 72 ASP H H 1 6.744 0.02 A 72 ASP HA H 1 4.335 0.02 A 72 ASP HBx H 1 2.884 0.02 A 72 ASP HBy H 1 2.983 0.02 A 72 ASP C C 13 177.895 0.2 A 72 ASP CA C 13 54.939 0.2 A 72 ASP CB C 13 41.994 0.2 A 72 ASP N N 15 119.402 0.2 A 73 ALA H H 1 8.865 0.02 A 73 ALA HA H 1 4.179 0.02 A 73 ALA HB% H 1 1.510 0.02 A 73 ALA C C 13 179.015 0.2 A 73 ALA CA C 13 53.833 0.2 A 73 ALA CB C 13 19.066 0.2 A 73 ALA N N 15 132.195 0.2 A 74 LYS H H 1 8.546 0.02 A 74 LYS HA H 1 4.301 0.02 A 74 LYS HB2 H 1 1.932 0.02 A 74 LYS HB3 H 1 1.932 0.02 A 74 LYS HD2 H 1 1.711 0.02 A 74 LYS HD3 H 1 1.711 0.02 A 74 LYS HE2 H 1 3.026 0.02 A 74 LYS HE3 H 1 3.026 0.02 A 74 LYS HGx H 1 1.452 0.02 A 74 LYS HGy H 1 1.512 0.02 A 74 LYS C C 13 176.330 0.2 A 74 LYS CA C 13 56.216 0.2 A 74 LYS CB C 13 32.200 0.2 A 74 LYS CD C 13 28.600 0.2 A 74 LYS CE C 13 41.824 0.2 A 74 LYS CG C 13 24.845 0.2 A 74 LYS N N 15 115.455 0.2 A 75 ASN H H 1 7.523 0.02 A 75 ASN HA H 1 5.343 0.02 A 75 ASN HBx H 1 2.505 0.02 A 75 ASN HBy H 1 2.935 0.02 A 75 ASN HD2x H 1 6.771 0.02 A 75 ASN HD2y H 1 8.104 0.02 A 75 ASN CA C 13 50.366 0.2 A 75 ASN CB C 13 39.148 0.2 A 75 ASN N N 15 115.691 0.2 A 75 ASN ND2 N 15 111.957 0.2 A 76 PRO HA H 1 4.546 0.02 A 76 PRO HBy H 1 2.311 0.02 A 76 PRO HBx H 1 1.873 0.02 A 76 PRO HD2 H 1 3.760 0.02 A 76 PRO HD3 H 1 3.430 0.02 A 76 PRO HGx H 1 1.861 0.02 A 76 PRO HGy H 1 2.059 0.02 A 76 PRO C C 13 176.646 0.2 A 76 PRO CA C 13 64.336 0.2 A 76 PRO CB C 13 32.201 0.2 A 76 PRO CD C 13 50.316 0.2 A 76 PRO CG C 13 26.670 0.2 A 77 ASP H H 1 8.200 0.02 A 77 ASP HA H 1 4.239 0.02 A 77 ASP HBy H 1 2.595 0.02 A 77 ASP HBx H 1 2.500 0.02 A 77 ASP C C 13 177.393 0.2 A 77 ASP CA C 13 57.480 0.2 A 77 ASP CB C 13 40.498 0.2 A 77 ASP N N 15 117.695 0.2 A 78 LEU H H 1 7.302 0.02 A 78 LEU HA H 1 4.113 0.02 A 78 LEU HBx H 1 1.606 0.02 A 78 LEU HBy H 1 2.043 0.02 A 78 LEU HD1% H 1 0.893 0.02 A 78 LEU HD2% H 1 0.850 0.02 A 78 LEU HG H 1 1.386 0.02 A 78 LEU C C 13 177.744 0.2 A 78 LEU CA C 13 58.757 0.2 A 78 LEU CB C 13 40.815 0.2 A 78 LEU CD1 C 13 23.308 0.2 A 78 LEU CD2 C 13 26.326 0.2 A 78 LEU CG C 13 27.287 0.2 A 78 LEU N N 15 120.820 0.2 A 79 ARG H H 1 8.167 0.02 A 79 ARG HA H 1 3.707 0.02 A 79 ARG HBy H 1 2.447 0.02 A 79 ARG HBx H 1 2.032 0.02 A 79 ARG C C 13 178.415 0.2 A 79 ARG CA C 13 60.148 0.2 A 79 ARG CB C 13 29.401 0.2 A 79 ARG N N 15 118.507 0.2 A 80 ARG H H 1 8.352 0.02 A 80 ARG HA H 1 3.774 0.02 A 80 ARG HBx H 1 1.834 0.02 A 80 ARG HBy H 1 1.972 0.02 A 80 ARG HDx H 1 3.057 0.02 A 80 ARG HDy H 1 3.144 0.02 A 80 ARG HG2 H 1 1.482 0.02 A 80 ARG HG3 H 1 1.482 0.02 A 80 ARG C C 13 178.158 0.2 A 80 ARG CA C 13 61.089 0.2 A 80 ARG CB C 13 29.749 0.2 A 80 ARG CD C 13 43.569 0.2 A 80 ARG CG C 13 28.691 0.2 A 80 ARG N N 15 116.988 0.2 A 81 ASN H H 1 8.497 0.02 A 81 ASN HA H 1 4.834 0.02 A 81 ASN HBy H 1 3.154 0.02 A 81 ASN HBx H 1 2.368 0.02 A 81 ASN HD21 H 1 7.192 0.02 A 81 ASN HD22 H 1 7.030 0.02 A 81 ASN C C 13 178.226 0.2 A 81 ASN CA C 13 55.600 0.2 A 81 ASN CB C 13 37.820 0.2 A 81 ASN N N 15 117.934 0.2 A 81 ASN ND2 N 15 112.194 0.2 A 82 VAL H H 1 8.214 0.02 A 82 VAL HA H 1 4.228 0.02 A 82 VAL HB H 1 2.172 0.02 A 82 VAL HG1% H 1 0.887 0.02 A 82 VAL HG2% H 1 0.911 0.02 A 82 VAL C C 13 179.491 0.2 A 82 VAL CA C 13 65.200 0.2 A 82 VAL CB C 13 31.600 0.2 A 82 VAL CG1 C 13 21.903 0.2 A 82 VAL CG2 C 13 23.414 0.2 A 82 VAL N N 15 122.934 0.2 A 83 LEU H H 1 8.781 0.02 A 83 LEU HA H 1 3.919 0.02 A 83 LEU HBy H 1 2.153 0.02 A 83 LEU HBx H 1 1.105 0.02 A 83 LEU HD1% H 1 0.919 0.02 A 83 LEU HD2% H 1 0.914 0.02 A 83 LEU HG H 1 2.020 0.02 A 83 LEU C C 13 177.786 0.2 A 83 LEU CA C 13 57.748 0.2 A 83 LEU CB C 13 42.900 0.2 A 83 LEU CD1 C 13 27.139 0.2 A 83 LEU CD2 C 13 24.244 0.2 A 83 LEU CG C 13 26.354 0.2 A 83 LEU N N 15 119.981 0.2 A 84 CYS H H 1 8.001 0.02 A 84 CYS HA H 1 4.682 0.02 A 84 CYS HBx H 1 2.925 0.02 A 84 CYS HBy H 1 3.324 0.02 A 84 CYS C C 13 175.407 0.2 A 84 CYS CA C 13 57.924 0.2 A 84 CYS CB C 13 27.874 0.2 A 84 CYS N N 15 109.729 0.2 A 85 GLY H H 1 7.659 0.02 A 85 GLY HAx H 1 3.941 0.02 A 85 GLY HAy H 1 4.237 0.02 A 85 GLY C C 13 173.478 0.2 A 85 GLY CA C 13 45.426 0.2 A 85 GLY N N 15 110.021 0.2 A 86 ALA H H 1 8.136 0.02 A 86 ALA HA H 1 4.158 0.02 A 86 ALA HB% H 1 1.392 0.02 A 86 ALA C C 13 177.949 0.2 A 86 ALA CA C 13 54.350 0.2 A 86 ALA CB C 13 18.980 0.2 A 86 ALA N N 15 124.517 0.2 A 87 ILE H H 1 7.123 0.02 A 87 ILE HA H 1 4.369 0.02 A 87 ILE HB H 1 1.209 0.02 A 87 ILE HD1% H 1 0.852 0.02 A 87 ILE HG1y H 1 1.349 0.02 A 87 ILE HG1x H 1 0.990 0.02 A 87 ILE HG2% H 1 0.858 0.02 A 87 ILE C C 13 175.812 0.2 A 87 ILE CA C 13 59.524 0.2 A 87 ILE CB C 13 40.300 0.2 A 87 ILE CD1 C 13 13.873 0.2 A 87 ILE CG1 C 13 27.605 0.2 A 87 ILE CG2 C 13 18.065 0.2 A 87 ILE N N 15 116.863 0.2 A 88 THR H H 1 8.650 0.02 A 88 THR HA H 1 4.399 0.02 A 88 THR HB H 1 4.738 0.02 A 88 THR HG1 H 1 5.535 0.02 A 88 THR HG2% H 1 1.308 0.02 A 88 THR C C 13 173.494 0.2 A 88 THR CA C 13 60.640 0.2 A 88 THR CB C 13 68.300 0.2 A 88 THR CG2 C 13 21.770 0.2 A 88 THR N N 15 117.636 0.2 A 89 PRO HA H 1 4.058 0.02 A 89 PRO HB2 H 1 1.907 0.02 A 89 PRO HB3 H 1 1.907 0.02 A 89 PRO HDx H 1 3.852 0.02 A 89 PRO HDy H 1 4.006 0.02 A 89 PRO HGx H 1 1.788 0.02 A 89 PRO HGy H 1 2.285 0.02 A 89 PRO C C 13 176.703 0.2 A 89 PRO CA C 13 65.434 0.2 A 89 PRO CB C 13 31.900 0.2 A 89 PRO CD C 13 50.127 0.2 A 89 PRO CG C 13 27.908 0.2 A 90 GLN H H 1 8.111 0.02 A 90 GLN HA H 1 3.990 0.02 A 90 GLN HBx H 1 1.842 0.02 A 90 GLN HBy H 1 2.166 0.02 A 90 GLN HE2y H 1 7.298 0.02 A 90 GLN HE2x H 1 6.927 0.02 A 90 GLN HGx H 1 2.389 0.02 A 90 GLN HGy H 1 2.488 0.02 A 90 GLN C C 13 177.998 0.2 A 90 GLN CA C 13 58.873 0.2 A 90 GLN CB C 13 27.860 0.2 A 90 GLN CG C 13 33.548 0.2 A 90 GLN N N 15 114.702 0.2 A 90 GLN NE2 N 15 111.742 0.2 A 91 GLN H H 1 7.626 0.02 A 91 GLN HA H 1 4.009 0.02 A 91 GLN HBx H 1 1.848 0.02 A 91 GLN HBy H 1 2.359 0.02 A 91 GLN HE2y H 1 7.467 0.02 A 91 GLN HE2x H 1 6.821 0.02 A 91 GLN HGx H 1 2.348 0.02 A 91 GLN HGy H 1 2.421 0.02 A 91 GLN C C 13 179.793 0.2 A 91 GLN CA C 13 58.460 0.2 A 91 GLN CB C 13 29.444 0.2 A 91 GLN CG C 13 34.520 0.2 A 91 GLN N N 15 117.077 0.2 A 91 GLN NE2 N 15 110.870 0.2 A 92 ILE H H 1 8.198 0.02 A 92 ILE HA H 1 4.257 0.02 A 92 ILE HB H 1 1.733 0.02 A 92 ILE HD1% H 1 0.934 0.02 A 92 ILE HG1y H 1 1.500 0.02 A 92 ILE HG1x H 1 1.302 0.02 A 92 ILE HG2% H 1 1.088 0.02 A 92 ILE C C 13 175.635 0.2 A 92 ILE CA C 13 60.156 0.2 A 92 ILE CB C 13 37.288 0.2 A 92 ILE CD1 C 13 14.378 0.2 A 92 ILE CG1 C 13 29.939 0.2 A 92 ILE CG2 C 13 20.103 0.2 A 92 ILE N N 15 116.951 0.2 A 93 ALA H H 1 7.871 0.02 A 93 ALA HA H 1 3.722 0.02 A 93 ALA HB% H 1 1.462 0.02 A 93 ALA C C 13 177.629 0.2 A 93 ALA CA C 13 55.212 0.2 A 93 ALA CB C 13 21.000 0.2 A 93 ALA N N 15 122.683 0.2 A 94 VAL H H 1 6.983 0.02 A 94 VAL HA H 1 4.369 0.02 A 94 VAL HB H 1 2.351 0.02 A 94 VAL HG1% H 1 0.786 0.02 A 94 VAL HG2% H 1 0.949 0.02 A 94 VAL C C 13 177.089 0.2 A 94 VAL CA C 13 60.436 0.2 A 94 VAL CB C 13 33.119 0.2 A 94 VAL CG1 C 13 20.200 0.2 A 94 VAL CG2 C 13 17.902 0.2 A 94 VAL N N 15 104.551 0.2 A 95 MET H H 1 7.556 0.02 A 95 MET HA H 1 4.349 0.02 A 95 MET HB2 H 1 1.961 0.02 A 95 MET HB3 H 1 2.116 0.02 A 95 MET HE% H 1 1.916 0.02 A 95 MET HGy H 1 2.760 0.02 A 95 MET HGx H 1 2.551 0.02 A 95 MET C C 13 177.030 0.2 A 95 MET CA C 13 57.155 0.2 A 95 MET CB C 13 34.900 0.2 A 95 MET CE C 13 16.991 0.2 A 95 MET CG C 13 32.246 0.2 A 95 MET N N 15 123.214 0.2 A 96 THR H H 1 9.021 0.02 A 96 THR HA H 1 4.488 0.02 A 96 THR HB H 1 4.692 0.02 A 96 THR HG2% H 1 1.336 0.02 A 96 THR C C 13 175.783 0.2 A 96 THR CA C 13 60.996 0.2 A 96 THR CB C 13 70.930 0.2 A 96 THR CG2 C 13 21.673 0.2 A 96 THR N N 15 115.271 0.2 A 97 SER HA H 1 4.132 0.02 A 97 SER HB2 H 1 3.879 0.02 A 97 SER HB3 H 1 3.879 0.02 A 97 SER C C 13 176.115 0.2 A 97 SER CA C 13 61.732 0.2 A 97 SER CB C 13 62.442 0.2 A 98 GLU H H 1 8.733 0.02 A 98 GLU HA H 1 4.048 0.02 A 98 GLU HBx H 1 1.935 0.02 A 98 GLU HBy H 1 2.007 0.02 A 98 GLU HGx H 1 2.259 0.02 A 98 GLU HGy H 1 2.355 0.02 A 98 GLU C C 13 178.600 0.2 A 98 GLU CA C 13 59.276 0.2 A 98 GLU CB C 13 28.940 0.2 A 98 GLU CG C 13 36.784 0.2 A 98 GLU N N 15 121.402 0.2 A 99 GLU H H 1 7.744 0.02 A 99 GLU HA H 1 4.036 0.02 A 99 GLU HBx H 1 1.960 0.02 A 99 GLU HBy H 1 2.205 0.02 A 99 GLU HGx H 1 2.248 0.02 A 99 GLU HGy H 1 2.302 0.02 A 99 GLU C C 13 178.374 0.2 A 99 GLU CA C 13 58.100 0.2 A 99 GLU CB C 13 30.024 0.2 A 99 GLU CG C 13 37.100 0.2 A 99 GLU N N 15 119.753 0.2 A 100 MET H H 1 7.950 0.02 A 100 MET HA H 1 4.047 0.02 A 100 MET HBy H 1 2.055 0.02 A 100 MET HBx H 1 1.910 0.02 A 100 MET HE% H 1 1.865 0.02 A 100 MET HGy H 1 2.670 0.02 A 100 MET HGx H 1 2.351 0.02 A 100 MET C C 13 175.652 0.2 A 100 MET CA C 13 58.015 0.2 A 100 MET CB C 13 33.376 0.2 A 100 MET CE C 13 17.473 0.2 A 100 MET CG C 13 33.122 0.2 A 100 MET N N 15 117.490 0.2 A 101 ALA H H 1 7.408 0.02 A 101 ALA HA H 1 4.325 0.02 A 101 ALA HB% H 1 1.416 0.02 A 101 ALA C C 13 177.553 0.2 A 101 ALA CA C 13 52.162 0.2 A 101 ALA CB C 13 19.289 0.2 A 101 ALA N N 15 120.122 0.2 A 102 SER H H 1 7.754 0.02 A 102 SER HA H 1 4.343 0.02 A 102 SER HBy H 1 4.043 0.02 A 102 SER HBx H 1 3.896 0.02 A 102 SER C C 13 175.373 0.2 A 102 SER CA C 13 58.364 0.2 A 102 SER CB C 13 63.862 0.2 A 102 SER N N 15 114.306 0.2 A 103 ASP H H 1 8.627 0.02 A 103 ASP HA H 1 4.503 0.02 A 103 ASP HBy H 1 2.690 0.02 A 103 ASP HBx H 1 2.660 0.02 A 103 ASP C C 13 177.408 0.2 A 103 ASP CA C 13 55.530 0.2 A 103 ASP CB C 13 40.820 0.2 A 103 ASP N N 15 123.886 0.2 A 104 GLU H H 1 8.410 0.02 A 104 GLU HA H 1 4.143 0.02 A 104 GLU HBx H 1 1.970 0.02 A 104 GLU HBy H 1 2.009 0.02 A 104 GLU HGx H 1 2.225 0.02 A 104 GLU HGy H 1 2.277 0.02 A 104 GLU C C 13 177.514 0.2 A 104 GLU CA C 13 57.848 0.2 A 104 GLU CB C 13 29.772 0.2 A 104 GLU CG C 13 36.212 0.2 A 104 GLU N N 15 120.184 0.2 A 105 LEU H H 1 7.887 0.02 A 105 LEU HA H 1 4.238 0.02 A 105 LEU HBx H 1 1.565 0.02 A 105 LEU HBy H 1 1.709 0.02 A 105 LEU HD1% H 1 0.907 0.02 A 105 LEU HD2% H 1 0.842 0.02 A 105 LEU HG H 1 1.630 0.02 A 105 LEU C C 13 177.925 0.2 A 105 LEU CA C 13 55.600 0.2 A 105 LEU CB C 13 41.588 0.2 A 105 LEU CD1 C 13 25.060 0.2 A 105 LEU CD2 C 13 23.400 0.2 A 105 LEU CG C 13 26.972 0.2 A 105 LEU N N 15 120.459 0.2 A 106 LYS H H 1 7.876 0.02 A 106 LYS HA H 1 4.141 0.02 A 106 LYS HB2 H 1 1.844 0.02 A 106 LYS HB3 H 1 1.844 0.02 A 106 LYS HD2 H 1 1.680 0.02 A 106 LYS HD3 H 1 1.680 0.02 A 106 LYS HE2 H 1 2.986 0.02 A 106 LYS HE3 H 1 2.986 0.02 A 106 LYS HGy H 1 1.506 0.02 A 106 LYS HGx H 1 1.397 0.02 A 106 LYS C C 13 177.286 0.2 A 106 LYS CA C 13 57.437 0.2 A 106 LYS CB C 13 32.788 0.2 A 106 LYS CD C 13 29.052 0.2 A 106 LYS CE C 13 42.052 0.2 A 106 LYS CG C 13 25.036 0.2 A 106 LYS N N 15 119.886 0.2 A 107 GLU H H 1 8.039 0.02 A 107 GLU HA H 1 4.217 0.02 A 107 GLU HBx H 1 1.971 0.02 A 107 GLU HBy H 1 2.052 0.02 A 107 GLU HGx H 1 2.208 0.02 A 107 GLU HGy H 1 2.272 0.02 A 107 GLU C C 13 177.069 0.2 A 107 GLU CA C 13 56.832 0.2 A 107 GLU CB C 13 29.768 0.2 A 107 GLU CG C 13 36.008 0.2 A 107 GLU N N 15 119.683 0.2 A 108 ILE H H 1 7.941 0.02 A 108 ILE HA H 1 4.045 0.02 A 108 ILE HB H 1 1.873 0.02 A 108 ILE HD1% H 1 0.844 0.02 A 108 ILE HG1x H 1 1.198 0.02 A 108 ILE HG1y H 1 1.520 0.02 A 108 ILE HG2% H 1 0.884 0.02 A 108 ILE C C 13 176.641 0.2 A 108 ILE CA C 13 61.904 0.2 A 108 ILE CB C 13 38.200 0.2 A 108 ILE CD1 C 13 12.913 0.2 A 108 ILE CG1 C 13 27.605 0.2 A 108 ILE CG2 C 13 17.424 0.2 A 108 ILE N N 15 121.438 0.2 A 109 ARG H H 1 8.230 0.02 A 109 ARG HA H 1 4.289 0.02 A 109 ARG HBx H 1 1.764 0.02 A 109 ARG HBy H 1 1.843 0.02 A 109 ARG HD2 H 1 3.170 0.02 A 109 ARG HD3 H 1 3.170 0.02 A 109 ARG HGy H 1 1.664 0.02 A 109 ARG HGx H 1 1.605 0.02 A 109 ARG C C 13 176.561 0.2 A 109 ARG CA C 13 56.300 0.2 A 109 ARG CB C 13 30.401 0.2 A 109 ARG CD C 13 43.272 0.2 A 109 ARG CG C 13 27.212 0.2 A 109 ARG N N 15 123.543 0.2 A 110 LYS H H 1 8.133 0.02 A 110 LYS HA H 1 4.227 0.02 A 110 LYS HBx H 1 1.766 0.02 A 110 LYS HBy H 1 1.831 0.02 A 110 LYS HD2 H 1 1.675 0.02 A 110 LYS HD3 H 1 1.675 0.02 A 110 LYS HE2 H 1 2.985 0.02 A 110 LYS HE3 H 1 2.985 0.02 A 110 LYS HGy H 1 1.467 0.02 A 110 LYS HGx H 1 1.426 0.02 A 110 LYS C C 13 176.337 0.2 A 110 LYS CA C 13 56.522 0.2 A 110 LYS CB C 13 32.831 0.2 A 110 LYS CD C 13 29.025 0.2 A 110 LYS CE C 13 42.008 0.2 A 110 LYS CG C 13 24.600 0.2 A 110 LYS N N 15 122.162 0.2 A 111 ALA H H 1 8.179 0.02 A 111 ALA HA H 1 4.321 0.02 A 111 ALA HB% H 1 1.413 0.02 A 111 ALA C C 13 177.565 0.2 A 111 ALA CA C 13 52.434 0.2 A 111 ALA CB C 13 19.124 0.2 A 111 ALA N N 15 124.422 0.2 A 112 MET H H 1 8.252 0.02 A 112 MET HA H 1 4.523 0.02 A 112 MET HBx H 1 2.029 0.02 A 112 MET HBy H 1 2.172 0.02 A 112 MET HE% H 1 2.061 0.02 A 112 MET HGy H 1 2.651 0.02 A 112 MET HGx H 1 2.560 0.02 A 112 MET C C 13 175.626 0.2 A 112 MET CA C 13 55.513 0.2 A 112 MET CB C 13 32.819 0.2 A 112 MET CE C 13 16.848 0.2 A 112 MET CG C 13 31.982 0.2 A 112 MET N N 15 119.720 0.2 A 113 THR H H 1 7.693 0.02 A 113 THR HA H 1 4.142 0.02 A 113 THR HB H 1 4.236 0.02 A 113 THR HG2% H 1 1.158 0.02 A 113 THR C C 13 179.069 0.2 A 113 THR CA C 13 62.997 0.2 A 113 THR CB C 13 70.636 0.2 A 113 THR CG2 C 13 21.771 0.2 A 113 THR N N 15 119.826 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 97 SER HA A 99 GLU H 1.0 0.0 4.82 2 2 A 23 ALA H A 23 ALA HB% 1.0 0.0 3.21 3 3 A 23 ALA H A 22 ALA HB% 1.0 0.0 3.60 4 4 A 23 ALA H A 67 ILE HG2% 1.0 0.0 4.01 5 5 A 17 ARG H A 18 GLU H 1.0 0.0 3.78 6 6 A 18 GLU H A 15 LYS HA 1.0 0.0 3.97 7 7 A 18 GLU H A 18 GLU HGy 1.0 0.0 4.39 8 8 A 18 GLU H A 18 GLU HBy 1.0 0.0 4.11 9 9 A 18 GLU H A 18 GLU HBx 1.0 0.0 4.11 10 10 A 18 GLU H A 18 GLU HGx 1.0 0.0 4.39 11 11 A 18 GLU H A 17 ARG HB2 1.0 0.0 3.72 12 11 A 18 GLU H A 17 ARG HB3 1.0 0.0 3.72 13 12 A 85 GLY H A 86 ALA H 1.0 0.0 3.73 14 13 A 86 ALA H A 86 ALA HB% 1.0 0.0 3.31 15 14 A 86 ALA H A 82 VAL HG1% 1.0 0.0 6.30 16 15 A 86 ALA H A 82 VAL HG2% 1.0 0.0 6.30 17 16 A 86 ALA H A 87 ILE HD1% 1.0 0.0 6.30 18 17 A 87 ILE HD1% A 81 ASN HD21 1.0 0.0 4.54 19 18 A 81 ASN H A 82 VAL H 1.0 0.0 3.96 20 19 A 81 ASN HD21 A 81 ASN H 1.0 0.0 4.97 21 20 A 81 ASN H A 77 ASP HA 1.0 0.0 4.57 22 21 A 81 ASN H A 78 LEU HA 1.0 0.0 4.81 23 22 A 87 ILE HD1% A 81 ASN H 1.0 0.0 5.07 24 23 A 67 ILE HA A 70 LEU H 1.0 0.0 5.24 25 24 A 70 LEU H A 69 ASN HBy 1.0 0.0 5.15 26 25 A 70 LEU H A 70 LEU HB2 1.0 0.0 3.61 27 26 A 70 LEU H A 70 LEU HD2% 1.0 0.0 4.05 28 27 A 70 LEU H A 70 LEU HD1% 1.0 0.0 4.17 29 28 A 21 THR H A 22 ALA H 1.0 0.0 3.93 30 29 A 23 ALA H A 22 ALA H 1.0 0.0 3.78 31 30 A 22 ALA H A 21 THR HG1 1.0 0.0 4.92 32 31 A 22 ALA H A 21 THR HB 1.0 0.0 3.84 33 32 A 22 ALA H A 20 LEU HA 1.0 0.0 4.50 34 33 A 22 ALA HB% A 22 ALA H 1.0 0.0 3.09 35 34 A 22 ALA H A 21 THR HG2% 1.0 0.0 4.11 36 35 A 85 GLY H A 86 ALA HB% 1.0 0.0 4.65 37 36 A 85 GLY H A 33 ILE HD1% 1.0 0.0 5.62 38 37 A 85 GLY H A 82 VAL HG1% 1.0 0.0 5.81 39 38 A 90 GLN HE2x A 94 VAL HG2% 1.0 0.0 5.10 40 39 A 90 GLN HE2x A 94 VAL HG1% 1.0 0.0 4.40 41 40 A 79 ARG H A 80 ARG H 1.0 0.0 4.29 42 41 A 80 ARG H A 80 ARG HBy 1.0 0.0 4.03 43 42 A 80 ARG H A 80 ARG HBx 1.0 0.0 4.03 44 43 A 80 ARG H A 80 ARG HG2 1.0 0.0 4.90 45 43 A 80 ARG H A 80 ARG HG3 1.0 0.0 4.90 46 44 A 80 ARG H A 83 LEU HD1% 1.0 0.0 4.91 47 45 A 16 CYS H A 15 LYS HBx 1.0 0.0 4.34 48 46 A 87 ILE HD1% A 81 ASN HD22 1.0 0.0 5.01 49 47 A 92 ILE H A 93 ALA H 1.0 0.0 3.93 50 48 A 93 ALA H A 94 VAL H 1.0 0.0 4.00 51 49 A 93 ALA H A 90 GLN HA 1.0 0.0 4.44 52 50 A 93 ALA H A 93 ALA HB% 1.0 0.0 3.31 53 51 A 93 ALA H A 92 ILE HG2% 1.0 0.0 3.77 54 52 A 94 VAL HG2% A 93 ALA H 1.0 0.0 4.08 55 53 A 93 ALA H A 44 ILE HG2% 1.0 0.0 4.47 56 54 A 79 ARG H A 78 LEU HG 1.0 0.0 5.46 57 55 A 79 ARG H A 78 LEU HD1% 1.0 0.0 5.50 58 56 A 74 LYS H A 74 LYS HB2 1.0 0.0 3.34 59 56 A 74 LYS H A 74 LYS HB3 1.0 0.0 3.34 60 57 A 74 LYS H A 74 LYS HD2 1.0 0.0 4.42 61 57 A 74 LYS H A 74 LYS HD3 1.0 0.0 4.42 62 58 A 74 LYS H A 73 ALA HB% 1.0 0.0 3.46 63 59 A 61 ASN HA A 64 ARG H 1.0 0.0 4.91 64 60 A 64 ARG H A 63 VAL HB 1.0 0.0 3.27 65 61 A 64 ARG H A 64 ARG HB2 1.0 0.0 3.45 66 61 A 64 ARG H A 64 ARG HB3 1.0 0.0 3.45 67 62 A 64 ARG H A 64 ARG HGx 1.0 0.0 4.62 68 63 A 64 ARG H A 63 VAL HG1% 1.0 0.0 3.94 69 64 A 67 ILE H A 67 ILE HD1% 1.0 0.0 4.20 70 65 A 64 ARG H A 63 VAL HG2% 1.0 0.0 4.08 71 66 A 54 ASN HD2y A 54 ASN HB2 1.0 0.0 3.98 72 66 A 54 ASN HB3 A 54 ASN HD2y 1.0 0.0 3.98 73 67 A 71 LYS H A 72 ASP H 1.0 0.0 3.65 74 68 A 72 ASP H A 69 ASN HA 1.0 0.0 4.41 75 69 A 72 ASP H A 72 ASP HBy 1.0 0.0 3.56 76 70 A 72 ASP H A 72 ASP HBx 1.0 0.0 3.56 77 71 A 72 ASP H A 71 LYS HB2 1.0 0.0 4.57 78 71 A 72 ASP H A 71 LYS HB3 1.0 0.0 4.57 79 72 A 65 SER HA A 68 SER H 1.0 0.0 4.87 80 73 A 68 SER H A 68 SER HB2 1.0 0.0 3.22 81 73 A 68 SER H A 68 SER HB3 1.0 0.0 3.22 82 74 A 68 SER H A 67 ILE HB 1.0 0.0 3.59 83 75 A 67 ILE HG2% A 68 SER H 1.0 0.0 3.70 84 76 A 75 ASN HD2x A 101 ALA HA 1.0 0.0 4.81 85 77 A 78 LEU HD1% A 75 ASN HD2x 1.0 0.0 5.53 86 78 A 75 ASN HD2x A 78 LEU HD2% 1.0 0.0 5.96 87 79 A 44 ILE H A 44 ILE HG1y 1.0 0.0 4.30 88 80 A 44 ILE H A 44 ILE HB 1.0 0.0 3.55 89 81 A 44 ILE H A 44 ILE HG1x 1.0 0.0 4.30 90 82 A 44 ILE H A 44 ILE HD1% 1.0 0.0 3.82 91 83 A 16 CYS H A 15 LYS H 1.0 0.0 4.04 92 84 A 105 LEU HA A 108 ILE H 1.0 0.0 3.74 93 85 A 15 LYS H A 12 VAL HA 1.0 0.0 4.90 94 86 A 15 LYS H A 14 ASN HBx 1.0 0.0 4.47 95 87 A 15 LYS H A 14 ASN HBy 1.0 0.0 4.47 96 88 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.54 97 89 A 108 ILE H A 108 ILE HB 1.0 0.0 3.28 98 90 A 108 ILE H A 108 ILE HG1y 1.0 0.0 4.12 99 91 A 108 ILE H A 108 ILE HG1x 1.0 0.0 4.12 100 92 A 108 ILE H A 108 ILE HD1% 1.0 0.0 3.65 101 93 A 99 GLU HA A 102 SER H 1.0 0.0 4.70 102 94 A 71 LYS H A 71 LYS HB2 1.0 0.0 3.55 103 94 A 71 LYS H A 71 LYS HB3 1.0 0.0 3.55 104 95 A 102 SER H A 101 ALA HB% 1.0 0.0 4.55 105 96 A 95 MET H A 95 MET HGy 1.0 0.0 5.10 106 97 A 95 MET H A 95 MET HGx 1.0 0.0 5.10 107 98 A 95 MET H A 95 MET HB3 1.0 0.0 4.38 108 99 A 95 MET H A 95 MET HB2 1.0 0.0 3.75 109 100 A 94 VAL HG2% A 95 MET H 1.0 0.0 4.13 110 101 A 53 GLY H A 54 ASN H 1.0 0.0 4.25 111 102 A 8 THR HG2% A 14 ASN HD2y 1.0 0.0 4.90 112 103 A 54 ASN H A 52 VAL HG1% 1.0 0.0 5.44 113 104 A 82 VAL H A 83 LEU H 1.0 0.0 4.14 114 105 A 82 VAL H A 82 VAL HB 1.0 0.0 3.59 115 106 A 82 VAL HG2% A 82 VAL H 1.0 0.0 3.11 116 107 A 70 LEU H A 71 LYS H 1.0 0.0 3.69 117 108 A 71 LYS H A 23 ALA HA 1.0 0.0 6.02 118 109 A 71 LYS H A 68 SER HB2 1.0 0.0 6.30 119 109 A 71 LYS H A 68 SER HB3 1.0 0.0 6.30 120 110 A 32 ALA H A 33 ILE H 1.0 0.0 4.59 121 111 A 32 ALA H A 31 VAL H 1.0 0.0 4.14 122 112 A 32 ALA H A 29 ASP HA 1.0 0.0 5.09 123 113 A 32 ALA H A 31 VAL HB 1.0 0.0 4.23 124 114 A 32 ALA H A 32 ALA HB% 1.0 0.0 3.58 125 115 A 32 ALA H A 31 VAL HG1% 1.0 0.0 4.41 126 116 A 44 ILE H A 43 GLN H 1.0 0.0 4.04 127 117 A 43 GLN H A 43 GLN HGy 1.0 0.0 4.58 128 118 A 43 GLN H A 43 GLN HBy 1.0 0.0 4.29 129 119 A 43 GLN H A 43 GLN HGx 1.0 0.0 4.58 130 120 A 43 GLN H A 43 GLN HBx 1.0 0.0 4.29 131 121 A 43 GLN H A 42 ALA HB% 1.0 0.0 4.09 132 122 A 91 GLN H A 91 GLN HBy 1.0 0.0 3.75 133 123 A 91 GLN H A 90 GLN HBy 1.0 0.0 4.61 134 124 A 91 GLN H A 91 GLN HBx 1.0 0.0 3.75 135 125 A 91 GLN H A 87 ILE HG2% 1.0 0.0 4.81 136 126 A 26 THR HB A 27 ASP H 1.0 0.0 5.04 137 127 A 27 ASP H A 26 THR HG2% 1.0 0.0 4.57 138 128 A 53 GLY H A 52 VAL HG1% 1.0 0.0 5.27 139 129 A 26 THR HB A 26 THR H 1.0 0.0 3.99 140 130 A 50 ARG H A 50 ARG HGy 1.0 0.0 4.14 141 131 A 61 ASN H A 60 LYS HB2 1.0 0.0 4.43 142 131 A 60 LYS HB3 A 61 ASN H 1.0 0.0 4.43 143 132 A 91 GLN H A 90 GLN H 1.0 0.0 4.01 144 133 A 90 GLN H A 88 THR HB 1.0 0.0 4.19 145 134 A 90 GLN H A 90 GLN HBy 1.0 0.0 3.62 146 135 A 90 GLN H A 90 GLN HBx 1.0 0.0 3.62 147 136 A 90 GLN H A 88 THR HG2% 1.0 0.0 4.82 148 137 A 65 SER H A 65 SER HBy 1.0 0.0 4.30 149 138 A 65 SER H A 63 VAL HA 1.0 0.0 6.02 150 139 A 65 SER H A 64 ARG HD2 1.0 0.0 6.30 151 139 A 65 SER H A 64 ARG HD3 1.0 0.0 6.30 152 140 A 65 SER H A 64 ARG HB2 1.0 0.0 3.69 153 140 A 64 ARG HB3 A 65 SER H 1.0 0.0 3.69 154 141 A 100 MET H A 100 MET HGy 1.0 0.0 4.39 155 142 A 100 MET H A 100 MET HGx 1.0 0.0 4.39 156 143 A 100 MET H A 99 GLU HBy 1.0 0.0 4.43 157 144 A 100 MET H A 100 MET HBy 1.0 0.0 4.35 158 145 A 100 MET H A 99 GLU HBx 1.0 0.0 4.43 159 146 A 100 MET H A 100 MET HBx 1.0 0.0 4.35 160 147 A 53 GLY H A 52 VAL H 1.0 0.0 4.05 161 148 A 52 VAL H A 51 ASP HBx 1.0 0.0 5.04 162 149 A 52 VAL H A 52 VAL HB 1.0 0.0 4.23 163 150 A 52 VAL H A 52 VAL HG2% 1.0 0.0 3.63 164 151 A 107 GLU H A 107 GLU HBx 1.0 0.0 3.98 165 152 A 107 GLU H A 106 LYS HB2 1.0 0.0 3.74 166 152 A 107 GLU H A 106 LYS HB3 1.0 0.0 3.74 167 153 A 31 VAL H A 30 HIS H 1.0 0.0 4.87 168 154 A 83 LEU HD1% A 30 HIS H 1.0 0.0 4.60 169 155 A 30 HIS H A 83 LEU HD2% 1.0 0.0 5.07 170 156 A 21 THR H A 21 THR HG1 1.0 0.0 4.00 171 157 A 21 THR H A 41 SER HG 1.0 0.0 4.11 172 158 A 21 THR H A 21 THR HB 1.0 0.0 3.65 173 159 A 21 THR H A 18 GLU HA 1.0 0.0 4.60 174 160 A 21 THR H A 17 ARG HA 1.0 0.0 4.74 175 161 A 21 THR H A 21 THR HG2% 1.0 0.0 4.40 176 162 A 47 CYS H A 48 ILE H 1.0 0.0 4.24 177 163 A 93 ALA HB% A 47 CYS H 1.0 0.0 5.22 178 164 A 40 LEU H A 41 SER H 1.0 0.0 3.84 179 165 A 41 SER HG A 41 SER H 1.0 0.0 4.44 180 166 A 41 SER H A 38 GLU HA 1.0 0.0 4.82 181 167 A 41 SER H A 41 SER HBy 1.0 0.0 4.06 182 168 A 41 SER H A 40 LEU HBy 1.0 0.0 4.22 183 169 A 41 SER H A 40 LEU HBx 1.0 0.0 4.22 184 170 A 41 SER H A 24 LEU HD1% 1.0 0.0 3.76 185 171 A 16 CYS HA A 20 LEU H 1.0 0.0 5.42 186 172 A 20 LEU H A 20 LEU HG 1.0 0.0 4.09 187 173 A 54 ASN HD2x A 54 ASN HB2 1.0 0.0 3.98 188 173 A 54 ASN HB3 A 54 ASN HD2x 1.0 0.0 3.98 189 174 A 91 GLN H A 88 THR H 1.0 0.0 5.07 190 175 A 88 THR H A 87 ILE HA 1.0 0.0 3.24 191 176 A 88 THR H A 91 GLN HBy 1.0 0.0 4.36 192 177 A 88 THR H A 91 GLN HBx 1.0 0.0 4.36 193 178 A 88 THR HG2% A 88 THR H 1.0 0.0 3.44 194 179 A 87 ILE HG2% A 88 THR H 1.0 0.0 3.63 195 180 A 30 HIS H A 29 ASP H 1.0 0.0 4.59 196 181 A 16 CYS H A 14 ASN H 1.0 0.0 4.61 197 182 A 14 ASN H A 13 ARG H 1.0 0.0 3.80 198 183 A 14 ASN H A 11 ALA HA 1.0 0.0 4.35 199 184 A 14 ASN H A 14 ASN HBx 1.0 0.0 4.09 200 185 A 14 ASN H A 14 ASN HBy 1.0 0.0 4.09 201 186 A 14 ASN H A 11 ALA HB% 1.0 0.0 5.09 202 187 A 77 ASP H A 77 ASP HBy 1.0 0.0 3.72 203 188 A 78 LEU HD1% A 75 ASN HD2y 1.0 0.0 5.53 204 189 A 78 LEU HD2% A 75 ASN HD2y 1.0 0.0 5.96 205 190 A 45 GLU H A 46 GLU H 1.0 0.0 4.58 206 191 A 47 CYS H A 46 GLU H 1.0 0.0 4.29 207 192 A 69 ASN H A 69 ASN HD22 1.0 0.0 5.20 208 193 A 92 ILE H A 91 GLN H 1.0 0.0 4.06 209 194 A 92 ILE H A 91 GLN HBy 1.0 0.0 4.51 210 195 A 92 ILE H A 92 ILE HB 1.0 0.0 3.93 211 196 A 92 ILE H A 92 ILE HG2% 1.0 0.0 3.64 212 197 A 92 ILE H A 87 ILE HG2% 1.0 0.0 3.90 213 198 A 34 GLY H A 35 ALA H 1.0 0.0 3.83 214 199 A 35 ALA H A 33 ILE HB 1.0 0.0 4.83 215 200 A 35 ALA H A 35 ALA HB% 1.0 0.0 3.41 216 201 A 35 ALA H A 33 ILE HG2% 1.0 0.0 3.86 217 202 A 60 LYS HA A 63 VAL H 1.0 0.0 5.15 218 203 A 63 VAL H A 62 ARG HB2 1.0 0.0 3.49 219 203 A 63 VAL H A 62 ARG HB3 1.0 0.0 3.49 220 204 A 63 VAL HB A 63 VAL H 1.0 0.0 3.75 221 205 A 63 VAL HG1% A 63 VAL H 1.0 0.0 3.97 222 206 A 63 VAL HG2% A 63 VAL H 1.0 0.0 3.45 223 207 A 23 ALA H A 24 LEU H 1.0 0.0 4.07 224 208 A 24 LEU H A 25 GLN H 1.0 0.0 4.21 225 209 A 24 LEU H A 24 LEU HBy 1.0 0.0 4.01 226 210 A 24 LEU H A 24 LEU HG 1.0 0.0 3.91 227 211 A 23 ALA HB% A 24 LEU H 1.0 0.0 3.68 228 212 A 24 LEU H A 24 LEU HBx 1.0 0.0 4.01 229 213 A 24 LEU HD1% A 24 LEU H 1.0 0.0 4.38 230 214 A 13 ARG H A 12 VAL H 1.0 0.0 4.16 231 215 A 13 ARG H A 12 VAL HB 1.0 0.0 4.39 232 216 A 106 LYS H A 106 LYS HB2 1.0 0.0 3.30 233 216 A 106 LYS HB3 A 106 LYS H 1.0 0.0 3.30 234 217 A 105 LEU H A 105 LEU HBy 1.0 0.0 3.68 235 218 A 13 ARG H A 12 VAL HG1% 1.0 0.0 3.99 236 219 A 8 THR HG2% A 14 ASN HD2x 1.0 0.0 4.90 237 220 A 86 ALA H A 87 ILE H 1.0 0.0 3.49 238 221 A 87 ILE H A 82 VAL HA 1.0 0.0 4.01 239 222 A 86 ALA HB% A 87 ILE H 1.0 0.0 3.51 240 223 A 87 ILE H A 87 ILE HB 1.0 0.0 3.60 241 224 A 87 ILE HD1% A 87 ILE H 1.0 0.0 4.44 242 225 A 6 PRO HA A 7 VAL H 1.0 0.0 3.20 243 226 A 7 VAL H A 6 PRO HB2 1.0 0.0 4.33 244 227 A 7 VAL H A 6 PRO HB3 1.0 0.0 4.75 245 228 A 7 VAL H A 7 VAL HG2% 1.0 0.0 3.60 246 229 A 73 ALA HB% A 73 ALA H 1.0 0.0 3.78 247 230 A 33 ILE H A 34 GLY H 1.0 0.0 3.74 248 231 A 34 GLY H A 31 VAL HA 1.0 0.0 5.18 249 232 A 34 GLY H A 33 ILE HB 1.0 0.0 4.53 250 233 A 31 VAL HG1% A 34 GLY H 1.0 0.0 5.30 251 234 A 34 GLY H A 33 ILE HG2% 1.0 0.0 5.47 252 235 A 61 ASN H A 62 ARG H 1.0 0.0 4.60 253 236 A 63 VAL H A 62 ARG H 1.0 0.0 4.45 254 237 A 62 ARG H A 61 ASN HBy 1.0 0.0 5.03 255 238 A 62 ARG H A 62 ARG HB2 1.0 0.0 3.66 256 238 A 62 ARG HB3 A 62 ARG H 1.0 0.0 3.66 257 239 A 12 VAL H A 12 VAL HB 1.0 0.0 4.06 258 240 A 11 ALA HB% A 12 VAL H 1.0 0.0 4.65 259 241 A 12 VAL H A 12 VAL HG2% 1.0 0.0 3.92 260 242 A 48 ILE H A 49 PHE H 1.0 0.0 4.64 261 243 A 49 PHE H A 49 PHE HD% 1.0 0.0 4.51 262 244 A 49 PHE H A 49 PHE HB2 1.0 0.0 4.38 263 245 A 49 PHE H A 48 ILE HB 1.0 0.0 4.24 264 246 A 40 LEU H A 39 ARG H 1.0 0.0 3.81 265 247 A 39 ARG H A 38 GLU HG2 1.0 0.0 5.04 266 247 A 39 ARG H A 38 GLU HG3 1.0 0.0 5.04 267 248 A 39 ARG H A 38 GLU HBy 1.0 0.0 4.25 268 249 A 39 ARG H A 39 ARG HB2 1.0 0.0 3.03 269 249 A 39 ARG H A 39 ARG HB3 1.0 0.0 3.03 270 250 A 77 ASP H A 75 ASN HA 1.0 0.0 4.64 271 251 A 77 ASP H A 76 PRO HD2 1.0 0.0 4.65 272 252 A 77 ASP H A 76 PRO HD3 1.0 0.0 5.24 273 253 A 105 LEU H A 103 ASP HA 1.0 0.0 5.06 274 254 A 105 LEU H A 105 LEU HD2% 1.0 0.0 4.49 275 255 A 67 ILE H A 66 ARG H 1.0 0.0 4.11 276 256 A 63 VAL HA A 66 ARG H 1.0 0.0 4.70 277 257 A 66 ARG H A 67 ILE HG12 1.0 0.0 4.92 278 257 A 66 ARG H A 67 ILE HG13 1.0 0.0 4.92 279 258 A 66 ARG H A 66 ARG HG2 1.0 0.0 4.83 280 258 A 66 ARG H A 66 ARG HG3 1.0 0.0 4.83 281 259 A 63 VAL HG1% A 66 ARG H 1.0 0.0 5.84 282 260 A 100 MET H A 101 ALA H 1.0 0.0 4.45 283 261 A 101 ALA H A 100 MET HBy 1.0 0.0 4.78 284 262 A 4 PRO HA A 5 VAL H 1.0 0.0 2.92 285 263 A 5 VAL H A 4 PRO HBy 1.0 0.0 4.62 286 264 A 5 VAL H A 5 VAL HB 1.0 0.0 3.65 287 265 A 5 VAL H A 5 VAL HG1% 1.0 0.0 3.56 288 265 A 5 VAL H A 5 VAL HG2% 1.0 0.0 3.56 289 266 A 31 VAL H A 31 VAL HB 1.0 0.0 3.66 290 267 A 31 VAL H A 31 VAL HG1% 1.0 0.0 4.40 291 268 A 31 VAL H A 31 VAL HG2% 1.0 0.0 3.71 292 269 A 48 ILE H A 46 GLU HA 1.0 0.0 5.37 293 270 A 48 ILE H A 48 ILE HB 1.0 0.0 3.71 294 271 A 93 ALA HB% A 48 ILE H 1.0 0.0 4.91 295 272 A 48 ILE H A 48 ILE HG12 1.0 0.0 4.86 296 272 A 48 ILE H A 48 ILE HG13 1.0 0.0 4.86 297 273 A 37 CYS HG A 25 GLN HE21 1.0 0.0 4.42 298 273 A 25 GLN HE22 A 37 CYS HG 1.0 0.0 4.42 299 274 A 21 THR HG2% A 25 GLN HE21 1.0 0.0 3.99 300 274 A 21 THR HG2% A 25 GLN HE22 1.0 0.0 3.99 301 275 A 41 SER H A 42 ALA H 1.0 0.0 3.85 302 276 A 43 GLN H A 42 ALA H 1.0 0.0 3.93 303 277 A 42 ALA HB% A 42 ALA H 1.0 0.0 3.28 304 278 A 98 GLU H A 97 SER HB2 1.0 0.0 5.03 305 278 A 97 SER HB3 A 98 GLU H 1.0 0.0 5.03 306 279 A 74 LYS H A 75 ASN H 1.0 0.0 3.50 307 280 A 75 ASN H A 73 ALA HA 1.0 0.0 4.88 308 281 A 76 PRO HD2 A 75 ASN H 1.0 0.0 4.80 309 282 A 76 PRO HD3 A 75 ASN H 1.0 0.0 4.55 310 283 A 75 ASN H A 75 ASN HBy 1.0 0.0 4.06 311 284 A 75 ASN H A 75 ASN HBx 1.0 0.0 4.06 312 285 A 75 ASN H A 74 LYS HB2 1.0 0.0 3.78 313 285 A 74 LYS HB3 A 75 ASN H 1.0 0.0 3.78 314 286 A 73 ALA HB% A 75 ASN H 1.0 0.0 6.03 315 287 A 75 ASN H A 74 LYS HGx 1.0 0.0 6.30 316 288 A 75 ASN H A 74 LYS HGy 1.0 0.0 6.30 317 289 A 17 ARG H A 13 ARG HA 1.0 0.0 5.73 318 290 A 17 ARG H A 17 ARG HB2 1.0 0.0 3.56 319 290 A 17 ARG H A 17 ARG HB3 1.0 0.0 3.56 320 291 A 60 LYS H A 60 LYS HB2 1.0 0.0 3.49 321 291 A 60 LYS HB3 A 60 LYS H 1.0 0.0 3.49 322 292 A 94 VAL H A 93 ALA HB% 1.0 0.0 4.00 323 293 A 94 VAL HG2% A 94 VAL H 1.0 0.0 3.41 324 294 A 94 VAL HG1% A 94 VAL H 1.0 0.0 3.75 325 295 A 39 ARG H A 38 GLU H 1.0 0.0 4.11 326 296 A 38 GLU H A 38 GLU HG2 1.0 0.0 4.36 327 296 A 38 GLU HG3 A 38 GLU H 1.0 0.0 4.36 328 297 A 38 GLU H A 38 GLU HBy 1.0 0.0 4.03 329 298 A 21 THR HG2% A 38 GLU H 1.0 0.0 4.62 330 299 A 104 GLU H A 103 ASP HBy 1.0 0.0 4.65 331 300 A 104 GLU H A 104 GLU HGy 1.0 0.0 4.75 332 301 A 104 GLU H A 104 GLU HBx 1.0 0.0 3.81 333 302 A 104 GLU H A 104 GLU HBy 1.0 0.0 3.81 334 303 A 94 VAL HG2% A 90 GLN HE2y 1.0 0.0 5.10 335 304 A 94 VAL HG1% A 90 GLN HE2y 1.0 0.0 4.40 336 305 A 68 SER H A 69 ASN H 1.0 0.0 3.85 337 306 A 70 LEU H A 69 ASN H 1.0 0.0 4.08 338 307 A 69 ASN H A 68 SER HB2 1.0 0.0 4.08 339 307 A 68 SER HB3 A 69 ASN H 1.0 0.0 4.08 340 308 A 69 ASN H A 69 ASN HBy 1.0 0.0 4.35 341 309 A 69 ASN H A 69 ASN HBx 1.0 0.0 4.35 342 310 A 69 ASN H A 70 LEU HG 1.0 0.0 6.30 343 311 A 25 GLN H A 22 ALA HA 1.0 0.0 4.39 344 312 A 25 GLN H A 25 GLN HG2 1.0 0.0 4.51 345 312 A 25 GLN H A 25 GLN HG3 1.0 0.0 4.51 346 313 A 25 GLN H A 25 GLN HB2 1.0 0.0 3.85 347 313 A 25 GLN H A 25 GLN HB3 1.0 0.0 3.85 348 314 A 50 ARG H A 51 ASP H 1.0 0.0 3.90 349 315 A 52 VAL H A 51 ASP H 1.0 0.0 4.19 350 316 A 51 ASP H A 51 ASP HBx 1.0 0.0 3.93 351 317 A 51 ASP H A 51 ASP HBy 1.0 0.0 3.93 352 318 A 51 ASP H A 50 ARG HBy 1.0 0.0 4.54 353 319 A 52 VAL HG2% A 51 ASP H 1.0 0.0 4.66 354 320 A 44 ILE H A 45 GLU H 1.0 0.0 4.55 355 321 A 45 GLU H A 45 GLU HBy 1.0 0.0 4.38 356 322 A 44 ILE HB A 45 GLU H 1.0 0.0 4.29 357 323 A 45 GLU H A 45 GLU HBx 1.0 0.0 4.38 358 324 A 44 ILE HG2% A 45 GLU H 1.0 0.0 4.05 359 325 A 83 LEU H A 84 CYS H 1.0 0.0 4.32 360 326 A 85 GLY H A 84 CYS H 1.0 0.0 3.94 361 327 A 84 CYS H A 81 ASN HA 1.0 0.0 4.59 362 328 A 84 CYS H A 83 LEU HBy 1.0 0.0 4.57 363 329 A 84 CYS H A 83 LEU HBx 1.0 0.0 4.57 364 330 A 33 ILE HD1% A 84 CYS H 1.0 0.0 4.23 365 331 A 112 MET HA A 113 THR H 1.0 0.0 3.61 366 332 A 113 THR H A 113 THR HB 1.0 0.0 4.34 367 333 A 61 ASN H A 60 LYS H 1.0 0.0 4.79 368 334 A 60 LYS H A 59 TYR H 1.0 0.0 4.51 369 335 A 60 LYS H A 59 TYR HD% 1.0 0.0 4.40 370 336 A 60 LYS H A 59 TYR HB3 1.0 0.0 4.94 371 337 A 83 LEU H A 80 ARG HA 1.0 0.0 4.68 372 338 A 83 LEU H A 82 VAL HB 1.0 0.0 4.13 373 339 A 83 LEU H A 83 LEU HG 1.0 0.0 3.97 374 340 A 82 VAL HG1% A 83 LEU H 1.0 0.0 4.54 375 341 A 83 LEU HD1% A 83 LEU H 1.0 0.0 5.11 376 342 A 33 ILE H A 33 ILE HB 1.0 0.0 3.54 377 343 A 33 ILE H A 33 ILE HG2% 1.0 0.0 5.32 378 344 A 106 LYS H A 106 LYS HGy 1.0 0.0 4.28 379 345 A 19 MET H A 19 MET HGy 1.0 0.0 4.09 380 346 A 19 MET H A 19 MET HGx 1.0 0.0 4.09 381 347 A 19 MET H A 18 GLU HBy 1.0 0.0 4.27 382 348 A 50 ARG H A 49 PHE H 1.0 0.0 4.39 383 349 A 50 ARG H A 49 PHE HD% 1.0 0.0 4.80 384 350 A 50 ARG H A 47 CYS HA 1.0 0.0 4.63 385 351 A 50 ARG H A 48 ILE HA 1.0 0.0 5.44 386 352 A 50 ARG H A 49 PHE HB2 1.0 0.0 6.02 387 353 A 50 ARG H A 49 PHE HB3 1.0 0.0 4.76 388 354 A 40 LEU H A 37 CYS HA 1.0 0.0 4.24 389 355 A 40 LEU H A 40 LEU HG 1.0 0.0 3.18 390 356 A 40 LEU H A 40 LEU HD1% 1.0 0.0 4.34 391 357 A 40 LEU H A 40 LEU HD2% 1.0 0.0 4.48 392 358 A 40 LEU H A 24 LEU HD1% 1.0 0.0 4.97 393 359 A 77 ASP H A 78 LEU H 1.0 0.0 3.78 394 360 A 79 ARG H A 78 LEU H 1.0 0.0 4.19 395 361 A 78 LEU H A 77 ASP HBy 1.0 0.0 4.94 396 362 A 78 LEU H A 78 LEU HBy 1.0 0.0 3.92 397 363 A 78 LEU H A 78 LEU HBx 1.0 0.0 3.92 398 364 A 78 LEU HD1% A 78 LEU H 1.0 0.0 4.82 399 365 A 109 ARG H A 109 ARG HGy 1.0 0.0 5.58 400 366 A 109 ARG H A 109 ARG HGx 1.0 0.0 5.58 401 367 A 7 VAL HG1% A 8 THR H 1.0 0.0 6.06 402 368 A 7 VAL HG2% A 8 THR H 1.0 0.0 6.30 403 369 A 14 ASN H A 13 ARG HBx 1.0 0.0 5.65 404 370 A 13 ARG H A 11 ALA HA 1.0 0.0 6.30 405 371 A 14 ASN H A 13 ARG HBy 1.0 0.0 5.65 406 372 A 15 LYS H A 15 LYS HBy 1.0 0.0 3.54 407 373 A 108 ILE H A 107 GLU HGx 1.0 0.0 5.71 408 374 A 108 ILE H A 107 GLU HGy 1.0 0.0 5.71 409 375 A 15 LYS H A 14 ASN H 1.0 0.0 3.84 410 376 A 16 CYS H A 15 LYS HBy 1.0 0.0 4.34 411 377 A 16 CYS H A 13 ARG HA 1.0 0.0 5.07 412 378 A 18 GLU H A 14 ASN HA 1.0 0.0 4.40 413 379 A 18 GLU H A 19 MET H 1.0 0.0 3.87 414 380 A 19 MET H A 18 GLU HBx 1.0 0.0 4.27 415 381 A 20 LEU H A 19 MET H 1.0 0.0 3.78 416 382 A 20 LEU H A 19 MET HB2 1.0 0.0 4.11 417 382 A 20 LEU H A 19 MET HB3 1.0 0.0 4.11 418 383 A 21 THR H A 20 LEU HD1% 1.0 0.0 5.33 419 384 A 21 THR H A 20 LEU HD2% 1.0 0.0 5.75 420 385 A 21 THR H A 20 LEU HG 1.0 0.0 6.25 421 386 A 23 ALA HB% A 21 THR H 1.0 0.0 6.30 422 387 A 21 THR HG2% A 25 GLN H 1.0 0.0 4.90 423 388 A 25 GLN H A 21 THR HA 1.0 0.0 5.94 424 389 A 23 ALA HB% A 26 THR H 1.0 0.0 5.43 425 390 A 26 THR H A 25 GLN HE21 1.0 0.0 6.03 426 390 A 26 THR H A 25 GLN HE22 1.0 0.0 6.03 427 391 A 27 ASP H A 26 THR H 1.0 0.0 5.42 428 392 A 29 ASP H A 28 HIS H 1.0 0.0 5.35 429 393 A 38 GLU H A 39 ARG HB2 1.0 0.0 5.99 430 393 A 39 ARG HB3 A 38 GLU H 1.0 0.0 5.99 431 394 A 38 GLU H A 40 LEU HG 1.0 0.0 6.30 432 395 A 38 GLU H A 38 GLU HBx 1.0 0.0 4.03 433 396 A 39 ARG H A 38 GLU HBx 1.0 0.0 4.25 434 397 A 41 SER H A 40 LEU HD1% 1.0 0.0 5.28 435 398 A 41 SER H A 40 LEU HD2% 1.0 0.0 5.73 436 399 A 21 THR HG1 A 41 SER H 1.0 0.0 5.60 437 400 A 38 GLU HA A 42 ALA H 1.0 0.0 5.03 438 401 A 42 ALA H A 40 LEU HA 1.0 0.0 5.47 439 402 A 44 ILE H A 41 SER HA 1.0 0.0 5.61 440 403 A 44 ILE H A 89 PRO HA 1.0 0.0 5.48 441 404 A 46 GLU H A 43 GLN HA 1.0 0.0 5.85 442 405 A 44 ILE HG2% A 48 ILE H 1.0 0.0 5.75 443 406 A 48 ILE H A 47 CYS HBy 1.0 0.0 5.79 444 407 A 49 PHE H A 48 ILE HG2% 1.0 0.0 5.01 445 408 A 51 ASP H A 50 ARG HBx 1.0 0.0 4.54 446 409 A 53 GLY H A 52 VAL HB 1.0 0.0 5.51 447 410 A 54 ASN H A 52 VAL HB 1.0 0.0 5.30 448 411 A 60 LYS H A 59 TYR HB2 1.0 0.0 4.92 449 412 A 61 ASN H A 62 ARG HB2 1.0 0.0 4.82 450 412 A 61 ASN H A 62 ARG HB3 1.0 0.0 4.82 451 413 A 62 ARG H A 61 ASN HBx 1.0 0.0 5.03 452 414 A 67 ILE H A 67 ILE HG12 1.0 0.0 3.52 453 414 A 67 ILE H A 67 ILE HG13 1.0 0.0 3.52 454 415 A 64 ARG H A 63 VAL H 1.0 0.0 3.78 455 416 A 66 ARG H A 20 LEU HD2% 1.0 0.0 5.74 456 417 A 67 ILE HD1% A 66 ARG H 1.0 0.0 6.30 457 418 A 67 ILE H A 20 LEU HD2% 1.0 0.0 3.74 458 419 A 68 SER H A 71 LYS HD2 1.0 0.0 5.53 459 419 A 68 SER H A 71 LYS HD3 1.0 0.0 5.53 460 420 A 67 ILE HG2% A 69 ASN H 1.0 0.0 5.27 461 421 A 69 ASN H A 69 ASN HD21 1.0 0.0 4.44 462 422 A 70 LEU H A 70 LEU HG 1.0 0.0 3.71 463 423 A 70 LEU H A 69 ASN HBx 1.0 0.0 5.15 464 424 A 70 LEU HD2% A 71 LYS H 1.0 0.0 5.60 465 425 A 67 ILE HG2% A 71 LYS H 1.0 0.0 5.35 466 426 A 71 LYS H A 70 LEU HB3 1.0 0.0 5.41 467 427 A 70 LEU HB2 A 71 LYS H 1.0 0.0 4.36 468 428 A 71 LYS H A 69 ASN HA 1.0 0.0 5.28 469 429 A 74 LYS H A 73 ALA H 1.0 0.0 4.69 470 430 A 77 ASP H A 77 ASP HBx 1.0 0.0 3.72 471 431 A 78 LEU HA A 77 ASP H 1.0 0.0 5.57 472 432 A 77 ASP H A 75 ASN H 1.0 0.0 5.66 473 433 A 78 LEU HG A 78 LEU H 1.0 0.0 5.53 474 434 A 78 LEU H A 77 ASP HBx 1.0 0.0 4.94 475 435 A 79 ARG H A 76 PRO HA 1.0 0.0 5.55 476 436 A 86 ALA HB% A 81 ASN H 1.0 0.0 5.54 477 437 A 81 ASN H A 81 ASN HD22 1.0 0.0 5.58 478 438 A 81 ASN H A 80 ARG H 1.0 0.0 4.09 479 439 A 81 ASN H A 83 LEU H 1.0 0.0 5.75 480 440 A 82 VAL H A 81 ASN HBx 1.0 0.0 5.48 481 441 A 82 VAL H A 81 ASN HBy 1.0 0.0 5.48 482 442 A 82 VAL H A 79 ARG HA 1.0 0.0 6.12 483 443 A 83 LEU H A 24 LEU HD2% 1.0 0.0 5.23 484 444 A 84 CYS H A 83 LEU HG 1.0 0.0 4.92 485 445 A 82 VAL HA A 84 CYS H 1.0 0.0 5.90 486 446 A 85 GLY H A 87 ILE H 1.0 0.0 5.19 487 447 A 86 ALA H A 82 VAL HA 1.0 0.0 4.66 488 448 A 90 GLN H A 88 THR HA 1.0 0.0 5.35 489 449 A 94 VAL HG2% A 91 GLN H 1.0 0.0 5.07 490 450 A 93 ALA H A 91 GLN H 1.0 0.0 5.23 491 451 A 92 ILE H A 92 ILE HD1% 1.0 0.0 4.29 492 452 A 92 ILE H A 93 ALA HB% 1.0 0.0 6.30 493 453 A 92 ILE H A 91 GLN HBx 1.0 0.0 4.51 494 454 A 94 VAL H A 90 GLN HA 1.0 0.0 6.30 495 455 A 94 VAL H A 91 GLN HA 1.0 0.0 6.30 496 456 A 94 VAL H A 95 MET H 1.0 0.0 3.68 497 457 A 95 MET H A 92 ILE HA 1.0 0.0 5.01 498 458 A 23 ALA H A 67 ILE HG12 1.0 0.0 4.64 499 458 A 23 ALA H A 67 ILE HG13 1.0 0.0 4.64 500 459 A 99 GLU H A 100 MET H 1.0 0.0 4.37 501 460 A 101 ALA H A 100 MET HBx 1.0 0.0 4.78 502 461 A 101 ALA HB% A 101 ALA H 1.0 0.0 3.44 503 462 A 101 ALA H A 98 GLU HA 1.0 0.0 4.76 504 463 A 99 GLU HA A 101 ALA H 1.0 0.0 5.48 505 464 A 102 SER H A 101 ALA H 1.0 0.0 5.01 506 465 A 105 LEU H A 105 LEU HBx 1.0 0.0 3.68 507 466 A 105 LEU H A 105 LEU HG 1.0 0.0 3.68 508 467 A 105 LEU H A 104 GLU HGy 1.0 0.0 5.83 509 468 A 105 LEU H A 104 GLU H 1.0 0.0 4.54 510 469 A 106 LYS H A 105 LEU HD2% 1.0 0.0 5.29 511 470 A 106 LYS H A 106 LYS HGx 1.0 0.0 4.28 512 471 A 106 LYS H A 103 ASP HA 1.0 0.0 5.41 513 472 A 107 GLU H A 107 GLU HBy 1.0 0.0 3.98 514 473 A 107 GLU H A 107 GLU HGy 1.0 0.0 4.75 515 474 A 108 ILE H A 107 GLU H 1.0 0.0 4.18 516 475 A 113 THR H A 113 THR HG2% 1.0 0.0 5.09 517 476 A 113 THR H A 111 ALA HB% 1.0 0.0 5.38 518 477 A 113 THR H A 112 MET HBx 1.0 0.0 4.95 519 478 A 113 THR H A 112 MET HBy 1.0 0.0 4.95 520 479 A 19 MET H A 19 MET HB2 1.0 0.0 3.62 521 479 A 19 MET H A 19 MET HB3 1.0 0.0 3.62 522 480 A 65 SER H A 65 SER HBx 1.0 0.0 4.30 523 481 A 71 LYS H A 68 SER HA 1.0 0.0 5.07 524 482 A 22 ALA H A 19 MET HA 1.0 0.0 4.23 525 483 A 39 ARG H A 37 CYS HA 1.0 0.0 5.30 526 484 A 42 ALA HB% A 40 LEU H 1.0 0.0 6.30 527 485 A 49 PHE H A 45 GLU HA 1.0 0.0 5.28 528 486 A 50 ARG H A 50 ARG HGx 1.0 0.0 4.14 529 487 A 65 SER H A 66 ARG H 1.0 0.0 4.12 530 488 A 67 ILE HG2% A 70 LEU H 1.0 0.0 5.52 531 489 A 70 LEU H A 78 LEU HD2% 1.0 0.0 5.93 532 490 A 82 VAL HG2% A 81 ASN H 1.0 0.0 4.49 533 491 A 87 ILE H A 81 ASN HA 1.0 0.0 5.64 534 492 A 90 GLN H A 90 GLN HGy 1.0 0.0 5.01 535 493 A 99 GLU H A 99 GLU HGx 1.0 0.0 4.67 536 494 A 104 GLU H A 102 SER HA 1.0 0.0 5.39 537 495 A 105 LEU H A 104 GLU HGx 1.0 0.0 5.83 538 496 A 109 ARG H A 108 ILE HG2% 1.0 0.0 5.07 539 497 A 37 CYS HA A 40 LEU HG 1.0 0.0 4.91 540 498 A 104 GLU H A 103 ASP HBx 1.0 0.0 4.65 541 499 A 108 ILE H A 107 GLU HBx 1.0 0.0 5.50 542 500 A 15 LYS HA A 18 GLU HBx 1.0 0.0 5.04 543 501 A 20 LEU HA A 67 ILE HG12 1.0 0.0 5.78 544 501 A 20 LEU HA A 67 ILE HG13 1.0 0.0 5.78 545 502 A 20 LEU HA A 20 LEU HG 1.0 0.0 4.35 546 503 A 38 GLU HA A 38 GLU HG2 1.0 0.0 3.64 547 503 A 38 GLU HA A 38 GLU HG3 1.0 0.0 3.64 548 504 A 43 GLN HA A 43 GLN HGx 1.0 0.0 4.45 549 505 A 45 GLU H A 20 LEU HD1% 1.0 0.0 4.81 550 506 A 20 LEU H A 20 LEU HD1% 1.0 0.0 4.50 551 507 A 17 ARG HA A 20 LEU HD1% 1.0 0.0 3.83 552 508 A 67 ILE HG2% A 68 SER HB2 1.0 0.0 4.33 553 508 A 67 ILE HG2% A 68 SER HB3 1.0 0.0 4.33 554 509 A 109 ARG HD3 A 109 ARG HBx 1.0 0.0 3.46 555 509 A 109 ARG HBx A 109 ARG HD2 1.0 0.0 3.46 556 510 A 106 LYS HE3 A 106 LYS HGx 1.0 0.0 4.16 557 510 A 106 LYS HE2 A 106 LYS HGx 1.0 0.0 4.16 558 511 A 91 GLN H A 91 GLN HGx 1.0 0.0 5.20 559 512 A 79 ARG H A 78 LEU HD2% 1.0 0.0 5.37 560 513 A 78 LEU HD2% A 78 LEU H 1.0 0.0 5.09 561 514 A 78 LEU HD2% A 70 LEU HA 1.0 0.0 4.35 562 515 A 78 LEU HA A 78 LEU HD2% 1.0 0.0 4.89 563 516 A 78 LEU HD2% A 69 ASN HBy 1.0 0.0 4.55 564 517 A 78 LEU HD2% A 100 MET HE% 1.0 0.0 4.76 565 518 A 87 ILE HA A 87 ILE HG1x 1.0 0.0 4.39 566 519 A 61 ASN HA A 64 ARG HGy 1.0 0.0 4.55 567 520 A 61 ASN HA A 64 ARG HGx 1.0 0.0 4.55 568 521 A 100 MET HA A 100 MET HGy 1.0 0.0 4.26 569 522 A 99 GLU HA A 99 GLU HGy 1.0 0.0 4.21 570 523 A 100 MET HA A 100 MET HGx 1.0 0.0 4.26 571 524 A 100 MET HA A 95 MET HE% 1.0 0.0 3.51 572 525 A 39 ARG HA A 39 ARG HGx 1.0 0.0 4.26 573 526 A 83 LEU HD2% A 30 HIS HA 1.0 0.0 3.17 574 527 A 63 VAL HG1% A 20 LEU H 1.0 0.0 5.27 575 528 A 63 VAL HG1% A 16 CYS HA 1.0 0.0 4.62 576 529 A 63 VAL HG1% A 64 ARG HA 1.0 0.0 4.66 577 530 A 31 VAL HG1% A 31 VAL HA 1.0 0.0 3.69 578 531 A 64 ARG H A 64 ARG HGy 1.0 0.0 4.62 579 532 A 15 LYS HA A 15 LYS HD2 1.0 0.0 3.80 580 532 A 15 LYS HA A 15 LYS HD3 1.0 0.0 3.80 581 533 A 64 ARG HA A 64 ARG HGy 1.0 0.0 4.19 582 534 A 108 ILE HB A 107 GLU H 1.0 0.0 4.68 583 535 A 105 LEU HA A 108 ILE HB 1.0 0.0 3.82 584 536 A 35 ALA HA A 36 ASP HA 1.0 0.0 5.10 585 537 A 33 ILE HG2% A 35 ALA HA 1.0 0.0 4.75 586 538 A 90 GLN H A 90 GLN HGx 1.0 0.0 5.01 587 539 A 19 MET H A 18 GLU HGy 1.0 0.0 5.24 588 540 A 18 GLU HA A 18 GLU HGy 1.0 0.0 4.20 589 541 A 90 GLN HA A 93 ALA HB% 1.0 0.0 4.13 590 542 A 95 MET HB2 A 92 ILE HA 1.0 0.0 4.80 591 543 A 5 VAL HA A 6 PRO HDy 1.0 0.0 3.43 592 544 A 5 VAL HA A 6 PRO HDx 1.0 0.0 3.43 593 545 A 87 ILE HA A 87 ILE HG1y 1.0 0.0 4.39 594 546 A 82 VAL HB A 79 ARG HA 1.0 0.0 5.01 595 547 A 74 LYS H A 74 LYS HGx 1.0 0.0 5.21 596 548 A 107 GLU H A 107 GLU HGx 1.0 0.0 4.75 597 549 A 74 LYS HA A 74 LYS HD2 1.0 0.0 3.73 598 549 A 74 LYS HD3 A 74 LYS HA 1.0 0.0 3.73 599 550 A 74 LYS HD3 A 74 LYS HE2 1.0 0.0 3.09 600 550 A 74 LYS HD2 A 74 LYS HE2 1.0 0.0 3.09 601 550 A 74 LYS HE3 A 74 LYS HD2 1.0 0.0 3.09 602 550 A 74 LYS HD3 A 74 LYS HE3 1.0 0.0 3.09 603 551 A 108 ILE HD1% A 108 ILE HA 1.0 0.0 3.62 604 552 A 63 VAL HG1% A 63 VAL HA 1.0 0.0 3.95 605 553 A 63 VAL HG2% A 63 VAL HA 1.0 0.0 3.71 606 554 A 48 ILE H A 48 ILE HD1% 1.0 0.0 4.85 607 555 A 48 ILE HD1% A 93 ALA HA 1.0 0.0 5.02 608 556 A 48 ILE HA A 48 ILE HD1% 1.0 0.0 5.18 609 557 A 63 VAL HA A 48 ILE HD1% 1.0 0.0 4.77 610 558 A 48 ILE HB A 48 ILE HD1% 1.0 0.0 3.73 611 559 A 48 ILE HG2% A 48 ILE HD1% 1.0 0.0 3.95 612 560 A 33 ILE H A 32 ALA HB% 1.0 0.0 4.25 613 561 A 73 ALA HB% A 74 LYS HA 1.0 0.0 4.27 614 562 A 67 ILE HA A 70 LEU HB2 1.0 0.0 4.44 615 563 A 67 ILE HA A 67 ILE HG12 1.0 0.0 3.99 616 563 A 67 ILE HA A 67 ILE HG13 1.0 0.0 3.99 617 564 A 33 ILE H A 33 ILE HG1x 1.0 0.0 4.67 618 565 A 16 CYS HA A 19 MET HE% 1.0 0.0 3.60 619 566 A 63 VAL HG1% A 19 MET HE% 1.0 0.0 3.08 620 567 A 87 ILE HG2% A 91 GLN HBx 1.0 0.0 4.34 621 568 A 77 ASP HA A 80 ARG H 1.0 0.0 4.65 622 569 A 108 ILE H A 107 GLU HA 1.0 0.0 3.73 623 570 A 78 LEU HD2% A 69 ASN HBx 1.0 0.0 4.55 624 571 A 99 GLU H A 99 GLU HGy 1.0 0.0 4.67 625 572 A 87 ILE HG2% A 87 ILE HA 1.0 0.0 4.02 626 573 A 108 ILE HG2% A 108 ILE HA 1.0 0.0 3.19 627 574 A 74 LYS HGx A 74 LYS HE2 1.0 0.0 4.41 628 574 A 74 LYS HE3 A 74 LYS HGx 1.0 0.0 4.41 629 575 A 106 LYS HA A 106 LYS HB2 1.0 0.0 2.95 630 575 A 106 LYS HB3 A 106 LYS HA 1.0 0.0 2.95 631 576 A 106 LYS HA A 106 LYS HGx 1.0 0.0 4.00 632 577 A 33 ILE HD1% A 33 ILE H 1.0 0.0 5.08 633 578 A 33 ILE HD1% A 33 ILE HA 1.0 0.0 4.18 634 579 A 33 ILE HD1% A 80 ARG HA 1.0 0.0 4.85 635 580 A 33 ILE HD1% A 33 ILE HB 1.0 0.0 3.97 636 581 A 12 VAL HA A 12 VAL HG1% 1.0 0.0 3.53 637 582 A 15 LYS H A 15 LYS HGy 1.0 0.0 5.44 638 583 A 59 TYR HD% A 49 PHE HA 1.0 0.0 5.94 639 584 A 49 PHE HA A 59 TYR HE% 1.0 0.0 6.29 640 585 A 33 ILE HD1% A 83 LEU HBx 1.0 0.0 5.17 641 586 A 33 ILE HA A 33 ILE HG1y 1.0 0.0 4.26 642 587 A 33 ILE HA A 33 ILE HG1x 1.0 0.0 4.26 643 588 A 52 VAL HG1% A 59 TYR HA 1.0 0.0 4.15 644 589 A 33 ILE HG2% A 33 ILE HA 1.0 0.0 3.48 645 590 A 5 VAL HA A 5 VAL HG1% 1.0 0.0 2.94 646 590 A 5 VAL HG2% A 5 VAL HA 1.0 0.0 2.94 647 591 A 7 VAL HG2% A 7 VAL HA 1.0 0.0 3.55 648 592 A 5 VAL HG1% A 6 PRO HDy 1.0 0.0 3.80 649 592 A 5 VAL HG2% A 6 PRO HDy 1.0 0.0 3.80 650 593 A 52 VAL H A 51 ASP HBy 1.0 0.0 5.04 651 594 A 13 ARG H A 12 VAL HG2% 1.0 0.0 4.58 652 595 A 12 VAL HA A 12 VAL HG2% 1.0 0.0 3.66 653 596 A 5 VAL H A 4 PRO HBx 1.0 0.0 4.62 654 597 A 19 MET HE% A 19 MET HGy 1.0 0.0 4.49 655 598 A 22 ALA HB% A 21 THR H 1.0 0.0 5.52 656 599 A 22 ALA HB% A 19 MET HA 1.0 0.0 3.62 657 600 A 39 ARG HB2 A 39 ARG HD2 1.0 0.0 2.72 658 600 A 39 ARG HB3 A 39 ARG HD2 1.0 0.0 2.72 659 600 A 39 ARG HD3 A 39 ARG HB2 1.0 0.0 2.72 660 600 A 39 ARG HB3 A 39 ARG HD3 1.0 0.0 2.72 661 601 A 64 ARG HD3 A 64 ARG HGy 1.0 0.0 3.09 662 601 A 64 ARG HGy A 64 ARG HD2 1.0 0.0 3.09 663 602 A 39 ARG HD2 A 39 ARG HGy 1.0 0.0 2.93 664 602 A 39 ARG HD3 A 39 ARG HGy 1.0 0.0 2.93 665 603 A 64 ARG HD3 A 64 ARG HGx 1.0 0.0 3.09 666 603 A 64 ARG HD2 A 64 ARG HGx 1.0 0.0 3.09 667 604 A 4 PRO HA A 5 VAL HG1% 1.0 0.0 4.16 668 604 A 4 PRO HA A 5 VAL HG2% 1.0 0.0 4.16 669 605 A 91 GLN H A 90 GLN HBx 1.0 0.0 4.61 670 606 A 78 LEU HA A 78 LEU HD1% 1.0 0.0 3.15 671 607 A 40 LEU H A 39 ARG HB2 1.0 0.0 4.71 672 607 A 40 LEU H A 39 ARG HB3 1.0 0.0 4.71 673 608 A 94 VAL HG1% A 95 MET H 1.0 0.0 4.97 674 609 A 94 VAL HG1% A 94 VAL HA 1.0 0.0 3.71 675 610 A 82 VAL HG1% A 82 VAL H 1.0 0.0 5.23 676 611 A 21 THR HG1 A 21 THR HG2% 1.0 0.0 4.03 677 612 A 21 THR HG2% A 21 THR HA 1.0 0.0 4.04 678 613 A 41 SER HG A 17 ARG HA 1.0 0.0 4.84 679 614 A 67 ILE HD1% A 64 ARG HA 1.0 0.0 3.72 680 615 A 24 LEU H A 25 GLN HG2 1.0 0.0 5.68 681 615 A 24 LEU H A 25 GLN HG3 1.0 0.0 5.68 682 616 A 22 ALA HA A 25 GLN HG2 1.0 0.0 4.75 683 616 A 22 ALA HA A 25 GLN HG3 1.0 0.0 4.75 684 617 A 37 CYS HG A 25 GLN HG2 1.0 0.0 4.27 685 617 A 37 CYS HG A 25 GLN HG3 1.0 0.0 4.27 686 618 A 26 THR HG2% A 26 THR H 1.0 0.0 4.32 687 619 A 26 THR HG2% A 71 LYS HA 1.0 0.0 3.73 688 620 A 33 ILE HG2% A 84 CYS HBy 1.0 0.0 4.64 689 621 A 82 VAL HG2% A 82 VAL HA 1.0 0.0 3.41 690 622 A 44 ILE HG2% A 44 ILE H 1.0 0.0 5.48 691 623 A 44 ILE HG2% A 89 PRO HA 1.0 0.0 4.99 692 624 A 44 ILE HG2% A 93 ALA HA 1.0 0.0 4.85 693 625 A 44 ILE HG2% A 45 GLU HA 1.0 0.0 5.35 694 626 A 24 LEU HD1% A 41 SER HBy 1.0 0.0 4.09 695 627 A 75 ASN HA A 76 PRO HD3 1.0 0.0 4.25 696 628 A 33 ILE HG2% A 84 CYS HBx 1.0 0.0 4.64 697 629 A 33 ILE HD1% A 84 CYS HA 1.0 0.0 5.12 698 630 A 92 ILE HG2% A 92 ILE HA 1.0 0.0 4.30 699 631 A 92 ILE HG2% A 89 PRO HA 1.0 0.0 3.66 700 632 A 92 ILE HG2% A 44 ILE HA 1.0 0.0 5.15 701 633 A 92 ILE HG2% A 44 ILE HG2% 1.0 0.0 3.49 702 634 A 92 ILE HG2% A 44 ILE HD1% 1.0 0.0 3.71 703 635 A 60 LYS HA A 59 TYR HD% 1.0 0.0 4.82 704 636 A 63 VAL HB A 60 LYS HA 1.0 0.0 4.54 705 637 A 48 ILE HB A 45 GLU HA 1.0 0.0 4.91 706 638 A 45 GLU HA A 48 ILE HD1% 1.0 0.0 4.97 707 639 A 43 GLN HA A 43 GLN HGy 1.0 0.0 4.45 708 640 A 20 LEU H A 20 LEU HD2% 1.0 0.0 5.05 709 641 A 20 LEU HA A 20 LEU HD2% 1.0 0.0 3.55 710 642 A 63 VAL HA A 20 LEU HD2% 1.0 0.0 5.00 711 643 A 20 LEU HD2% A 67 ILE HG12 1.0 0.0 3.83 712 643 A 67 ILE HG13 A 20 LEU HD2% 1.0 0.0 3.83 713 644 A 83 LEU HD2% A 83 LEU HA 1.0 0.0 3.24 714 645 A 74 LYS H A 74 LYS HGy 1.0 0.0 5.21 715 646 A 91 GLN H A 91 GLN HGy 1.0 0.0 5.20 716 647 A 71 LYS HD3 A 71 LYS HE2 1.0 0.0 2.94 717 647 A 71 LYS HD2 A 71 LYS HE2 1.0 0.0 2.94 718 647 A 71 LYS HE3 A 71 LYS HD2 1.0 0.0 2.94 719 647 A 71 LYS HD3 A 71 LYS HE3 1.0 0.0 2.94 720 648 A 67 ILE HG2% A 71 LYS HE2 1.0 0.0 3.63 721 648 A 67 ILE HG2% A 71 LYS HE3 1.0 0.0 3.63 722 649 A 40 LEU HD1% A 40 LEU HA 1.0 0.0 4.59 723 650 A 37 CYS HA A 40 LEU HD1% 1.0 0.0 3.65 724 651 A 40 LEU HD1% A 40 LEU HBy 1.0 0.0 3.99 725 652 A 87 ILE HG2% A 92 ILE HB 1.0 0.0 3.99 726 653 A 37 CYS HA A 40 LEU HBy 1.0 0.0 5.08 727 654 A 24 LEU HD1% A 40 LEU HBy 1.0 0.0 4.25 728 655 A 78 LEU HA A 78 LEU HG 1.0 0.0 4.33 729 656 A 105 LEU HA A 105 LEU HD2% 1.0 0.0 2.97 730 657 A 24 LEU HD2% A 24 LEU HA 1.0 0.0 3.48 731 658 A 75 ASN HA A 74 LYS HB2 1.0 0.0 5.67 732 658 A 74 LYS HB3 A 75 ASN HA 1.0 0.0 5.67 733 659 A 19 MET HA A 19 MET HB2 1.0 0.0 3.03 734 659 A 19 MET HB3 A 19 MET HA 1.0 0.0 3.03 735 660 A 53 GLY H A 50 ARG HA 1.0 0.0 5.08 736 661 A 50 ARG HA A 50 ARG HD2 1.0 0.0 4.43 737 661 A 50 ARG HA A 50 ARG HD3 1.0 0.0 4.43 738 662 A 91 GLN H A 88 THR HG2% 1.0 0.0 5.39 739 663 A 96 THR HA A 96 THR HG2% 1.0 0.0 3.55 740 664 A 88 THR HG2% A 88 THR HA 1.0 0.0 3.35 741 665 A 88 THR HG2% A 89 PRO HDy 1.0 0.0 4.02 742 666 A 88 THR HG2% A 89 PRO HDx 1.0 0.0 4.02 743 667 A 67 ILE HB A 64 ARG HA 1.0 0.0 5.13 744 668 A 71 LYS H A 71 LYS HD2 1.0 0.0 5.23 745 668 A 71 LYS H A 71 LYS HD3 1.0 0.0 5.23 746 669 A 67 ILE HG2% A 71 LYS HD2 1.0 0.0 3.62 747 669 A 67 ILE HG2% A 71 LYS HD3 1.0 0.0 3.62 748 670 A 12 VAL HG1% A 60 LYS HE2 1.0 0.0 3.99 749 670 A 12 VAL HG1% A 60 LYS HE3 1.0 0.0 3.99 750 671 A 67 ILE HG2% A 67 ILE H 1.0 0.0 4.55 751 672 A 105 LEU HA A 108 ILE HG1x 1.0 0.0 4.91 752 673 A 11 ALA HA A 14 ASN HBy 1.0 0.0 4.41 753 674 A 70 LEU HD1% A 70 LEU HA 1.0 0.0 5.08 754 675 A 70 LEU HD1% A 23 ALA HA 1.0 0.0 5.71 755 676 A 70 LEU HD1% A 24 LEU HA 1.0 0.0 5.95 756 677 A 31 VAL HG1% A 32 ALA HA 1.0 0.0 4.59 757 678 A 86 ALA HB% A 81 ASN HBx 1.0 0.0 4.92 758 679 A 98 GLU HA A 98 GLU HGy 1.0 0.0 4.07 759 680 A 111 ALA HB% A 111 ALA H 1.0 0.0 3.74 760 681 A 21 THR HG1 A 18 GLU HA 1.0 0.0 4.55 761 682 A 53 GLY H A 52 VAL HG2% 1.0 0.0 5.25 762 683 A 54 ASN H A 52 VAL HG2% 1.0 0.0 5.40 763 684 A 52 VAL HG2% A 59 TYR HD% 1.0 0.0 4.98 764 685 A 52 VAL HG2% A 49 PHE HA 1.0 0.0 5.26 765 686 A 52 VAL HG2% A 59 TYR HA 1.0 0.0 4.66 766 687 A 52 VAL HG2% A 52 VAL HA 1.0 0.0 3.72 767 688 A 100 MET H A 100 MET HE% 1.0 0.0 4.78 768 689 A 69 ASN HD21 A 100 MET HE% 1.0 0.0 4.40 769 690 A 69 ASN HD22 A 100 MET HE% 1.0 0.0 4.55 770 691 A 97 SER HA A 100 MET HE% 1.0 0.0 3.39 771 692 A 100 MET HE% A 100 MET HA 1.0 0.0 4.51 772 693 A 33 ILE HD1% A 83 LEU HBy 1.0 0.0 5.17 773 694 A 48 ILE H A 47 CYS HBx 1.0 0.0 5.79 774 695 A 31 VAL HG2% A 28 HIS HB2 1.0 0.0 5.04 775 696 A 11 ALA HA A 14 ASN HBx 1.0 0.0 4.41 776 697 A 44 ILE HB A 41 SER HA 1.0 0.0 4.57 777 698 A 83 LEU HD1% A 80 ARG HA 1.0 0.0 4.18 778 699 A 44 ILE HD1% A 41 SER HA 1.0 0.0 3.81 779 700 A 94 VAL HG2% A 94 VAL HA 1.0 0.0 4.05 780 701 A 94 VAL HG2% A 91 GLN HA 1.0 0.0 3.79 781 702 A 70 LEU HD2% A 79 ARG H 1.0 0.0 4.80 782 703 A 70 LEU HD2% A 70 LEU HA 1.0 0.0 3.71 783 704 A 70 LEU HD2% A 24 LEU HA 1.0 0.0 5.52 784 705 A 70 LEU HD2% A 79 ARG HA 1.0 0.0 3.96 785 706 A 70 LEU HD2% A 78 LEU HG 1.0 0.0 4.49 786 707 A 8 THR HG2% A 8 THR H 1.0 0.0 4.99 787 708 A 8 THR HG2% A 8 THR HA 1.0 0.0 4.34 788 709 A 44 ILE HD1% A 89 PRO HA 1.0 0.0 4.44 789 710 A 44 ILE HD1% A 44 ILE HA 1.0 0.0 4.83 790 711 A 44 ILE HB A 44 ILE HD1% 1.0 0.0 3.73 791 712 A 82 VAL HG2% A 79 ARG HA 1.0 0.0 4.77 792 713 A 18 GLU HA A 18 GLU HGx 1.0 0.0 4.20 793 714 A 92 ILE HD1% A 92 ILE HA 1.0 0.0 3.61 794 715 A 16 CYS HA A 19 MET H 1.0 0.0 4.91 795 716 A 82 VAL HG1% A 82 VAL HA 1.0 0.0 3.65 796 717 A 35 ALA HB% A 36 ASP H 1.0 0.0 5.03 797 718 A 34 GLY H A 35 ALA HB% 1.0 0.0 5.32 798 719 A 35 ALA HB% A 30 HIS HA 1.0 0.0 4.35 799 720 A 35 ALA HB% A 83 LEU HA 1.0 0.0 4.02 800 721 A 35 ALA HB% A 30 HIS HBy 1.0 0.0 4.96 801 722 A 35 ALA HB% A 33 ILE HG2% 1.0 0.0 3.10 802 723 A 83 LEU HD2% A 35 ALA HB% 1.0 0.0 3.48 803 724 A 48 ILE HB A 93 ALA HA 1.0 0.0 5.24 804 725 A 64 ARG HA A 67 ILE HG12 1.0 0.0 5.27 805 725 A 67 ILE HG13 A 64 ARG HA 1.0 0.0 5.27 806 726 A 63 VAL HG2% A 59 TYR HD% 1.0 0.0 4.96 807 727 A 63 VAL HG2% A 60 LYS HA 1.0 0.0 5.15 808 728 A 52 VAL HG1% A 52 VAL H 1.0 0.0 4.79 809 729 A 52 VAL HG1% A 59 TYR H 1.0 0.0 3.99 810 730 A 52 VAL HG1% A 59 TYR HD% 1.0 0.0 4.96 811 731 A 52 VAL HG1% A 52 VAL HA 1.0 0.0 3.84 812 732 A 52 VAL HG1% A 59 TYR HB2 1.0 0.0 4.74 813 733 A 33 ILE HB A 30 HIS HA 1.0 0.0 4.56 814 734 A 40 LEU HD2% A 40 LEU HA 1.0 0.0 3.20 815 735 A 19 MET H A 18 GLU HGx 1.0 0.0 5.24 816 736 A 44 ILE HA A 89 PRO HB2 1.0 0.0 4.35 817 736 A 44 ILE HA A 89 PRO HB3 1.0 0.0 4.35 818 737 A 44 ILE HG2% A 44 ILE HA 1.0 0.0 4.14 819 738 A 40 LEU HD1% A 40 LEU HBx 1.0 0.0 3.99 820 739 A 24 LEU HD1% A 40 LEU HBx 1.0 0.0 4.25 821 740 A 15 LYS HA A 18 GLU HBy 1.0 0.0 5.04 822 741 A 82 VAL HA A 87 ILE HB 1.0 0.0 4.91 823 742 A 12 VAL HB A 13 ARG HA 1.0 0.0 4.43 824 743 A 15 LYS H A 15 LYS HGx 1.0 0.0 5.44 825 744 A 96 THR HG2% A 96 THR H 1.0 0.0 4.37 826 745 A 32 ALA H A 31 VAL HG2% 1.0 0.0 4.38 827 746 A 31 VAL HG2% A 28 HIS HA 1.0 0.0 5.21 828 747 A 31 VAL HA A 31 VAL HG2% 1.0 0.0 3.68 829 748 A 31 VAL HG2% A 28 HIS HB3 1.0 0.0 4.44 830 749 A 6 PRO HDx A 5 VAL HG1% 1.0 0.0 3.80 831 749 A 5 VAL HG2% A 6 PRO HDx 1.0 0.0 3.80 832 750 A 108 ILE HA A 108 ILE HG1y 1.0 0.0 4.03 833 751 A 111 ALA HB% A 108 ILE HA 1.0 0.0 4.45 834 752 A 108 ILE HA A 108 ILE HG1x 1.0 0.0 4.03 835 753 A 13 ARG H A 11 ALA HB% 1.0 0.0 5.89 836 754 A 15 LYS H A 11 ALA HB% 1.0 0.0 6.07 837 755 A 22 ALA HA A 25 GLN HB2 1.0 0.0 4.35 838 755 A 22 ALA HA A 25 GLN HB3 1.0 0.0 4.35 839 756 A 90 GLN HA A 47 CYS HBy 1.0 0.0 5.37 840 757 A 90 GLN HA A 47 CYS HBx 1.0 0.0 5.37 841 758 A 24 LEU H A 24 LEU HD2% 1.0 0.0 4.75 842 759 A 41 SER H A 41 SER HBx 1.0 0.0 4.06 843 760 A 24 LEU HD1% A 41 SER HBx 1.0 0.0 4.09 844 761 A 24 LEU HD1% A 21 THR HA 1.0 0.0 4.80 845 762 A 67 ILE HD1% A 16 CYS HA 1.0 0.0 5.92 846 763 A 67 ILE HD1% A 63 VAL HA 1.0 0.0 5.43 847 764 A 67 ILE HA A 67 ILE HD1% 1.0 0.0 5.68 848 765 A 21 THR HG2% A 38 GLU HG2 1.0 0.0 3.81 849 765 A 21 THR HG2% A 38 GLU HG3 1.0 0.0 3.81 850 766 A 93 ALA HB% A 47 CYS HA 1.0 0.0 5.50 851 767 A 93 ALA HB% A 48 ILE HA 1.0 0.0 4.79 852 768 A 93 ALA HB% A 44 ILE HA 1.0 0.0 5.52 853 769 A 93 ALA HB% A 47 CYS HBy 1.0 0.0 4.45 854 770 A 93 ALA HB% A 47 CYS HBx 1.0 0.0 4.45 855 771 A 93 ALA HB% A 44 ILE HG2% 1.0 0.0 3.64 856 772 A 6 PRO HB2 A 7 VAL HG2% 1.0 0.0 4.51 857 773 A 5 VAL HA A 6 PRO HGy 1.0 0.0 4.85 858 774 A 5 VAL HA A 6 PRO HGx 1.0 0.0 4.85 859 775 A 7 VAL H A 7 VAL HB 1.0 0.0 4.15 860 776 A 7 VAL HG1% A 7 VAL HA 1.0 0.0 3.24 861 777 A 6 PRO HA A 7 VAL HG1% 1.0 0.0 3.97 862 778 A 7 VAL H A 7 VAL HG1% 1.0 0.0 4.02 863 779 A 43 GLN HA A 5 VAL HG1% 1.0 0.0 3.79 864 779 A 5 VAL HG2% A 43 GLN HA 1.0 0.0 3.79 865 780 A 6 PRO HB2 A 5 VAL HG1% 1.0 0.0 5.74 866 780 A 6 PRO HB2 A 5 VAL HG2% 1.0 0.0 5.74 867 781 A 6 PRO HA A 7 VAL HG2% 1.0 0.0 3.73 868 782 A 11 ALA HB% A 14 ASN HBx 1.0 0.0 6.30 869 783 A 11 ALA HB% A 14 ASN HBy 1.0 0.0 6.30 870 784 A 12 VAL HA A 11 ALA HB% 1.0 0.0 5.27 871 785 A 16 CYS H A 12 VAL HA 1.0 0.0 6.27 872 786 A 12 VAL HG1% A 13 ARG HA 1.0 0.0 3.75 873 787 A 12 VAL H A 12 VAL HG1% 1.0 0.0 5.46 874 788 A 11 ALA HB% A 12 VAL HG2% 1.0 0.0 4.83 875 789 A 12 VAL HG2% A 9 CYS HB2 1.0 0.0 5.58 876 789 A 12 VAL HG2% A 9 CYS HB3 1.0 0.0 5.58 877 790 A 12 VAL HG2% A 60 LYS HE2 1.0 0.0 4.98 878 790 A 12 VAL HG2% A 60 LYS HE3 1.0 0.0 4.98 879 791 A 11 ALA HA A 12 VAL HG2% 1.0 0.0 5.16 880 792 A 12 VAL HG2% A 55 THR HB 1.0 0.0 5.39 881 793 A 15 LYS HE3 A 15 LYS HGy 1.0 0.0 4.39 882 793 A 15 LYS HGy A 15 LYS HE2 1.0 0.0 4.39 883 794 A 110 LYS HE3 A 110 LYS HGx 1.0 0.0 4.17 884 794 A 110 LYS HE2 A 110 LYS HGx 1.0 0.0 4.17 885 795 A 15 LYS HE3 A 15 LYS HGx 1.0 0.0 4.39 886 795 A 15 LYS HE2 A 15 LYS HGx 1.0 0.0 4.39 887 796 A 106 LYS HE3 A 106 LYS HGy 1.0 0.0 4.16 888 796 A 106 LYS HGy A 106 LYS HE2 1.0 0.0 4.16 889 797 A 110 LYS HE3 A 110 LYS HGy 1.0 0.0 4.17 890 797 A 110 LYS HGy A 110 LYS HE2 1.0 0.0 4.17 891 798 A 106 LYS HD3 A 106 LYS HE2 1.0 0.0 2.82 892 798 A 106 LYS HD2 A 106 LYS HE2 1.0 0.0 2.82 893 798 A 106 LYS HE3 A 106 LYS HD2 1.0 0.0 2.82 894 798 A 106 LYS HE3 A 106 LYS HD3 1.0 0.0 2.82 895 799 A 110 LYS HD2 A 110 LYS HE2 1.0 0.0 3.03 896 799 A 110 LYS HD3 A 110 LYS HE2 1.0 0.0 3.03 897 799 A 110 LYS HE3 A 110 LYS HD2 1.0 0.0 3.03 898 799 A 110 LYS HE3 A 110 LYS HD3 1.0 0.0 3.03 899 800 A 15 LYS HD2 A 15 LYS HE2 1.0 0.0 3.13 900 800 A 15 LYS HE3 A 15 LYS HD2 1.0 0.0 3.13 901 800 A 15 LYS HD3 A 15 LYS HE3 1.0 0.0 3.13 902 800 A 15 LYS HD3 A 15 LYS HE2 1.0 0.0 3.13 903 801 A 15 LYS HA A 15 LYS HE2 1.0 0.0 5.29 904 801 A 15 LYS HA A 15 LYS HE3 1.0 0.0 5.29 905 802 A 110 LYS HA A 110 LYS HE2 1.0 0.0 5.52 906 802 A 110 LYS HE3 A 110 LYS HA 1.0 0.0 5.52 907 803 A 103 ASP HA A 106 LYS HE2 1.0 0.0 4.27 908 803 A 103 ASP HA A 106 LYS HE3 1.0 0.0 4.27 909 804 A 106 LYS H A 106 LYS HE2 1.0 0.0 5.60 910 804 A 106 LYS H A 106 LYS HE3 1.0 0.0 5.60 911 805 A 107 GLU H A 106 LYS HE2 1.0 0.0 6.30 912 805 A 107 GLU H A 106 LYS HE3 1.0 0.0 6.30 913 806 A 18 GLU H A 19 MET HB2 1.0 0.0 6.27 914 806 A 18 GLU H A 19 MET HB3 1.0 0.0 6.27 915 807 A 19 MET HE% A 19 MET HGx 1.0 0.0 4.49 916 808 A 19 MET HE% A 15 LYS HE2 1.0 0.0 5.04 917 808 A 19 MET HE% A 15 LYS HE3 1.0 0.0 5.04 918 809 A 63 VAL HA A 19 MET HE% 1.0 0.0 6.30 919 810 A 19 MET HE% A 64 ARG HD2 1.0 0.0 6.30 920 810 A 64 ARG HD3 A 19 MET HE% 1.0 0.0 6.30 921 811 A 19 MET H A 19 MET HE% 1.0 0.0 4.53 922 812 A 16 CYS H A 19 MET HE% 1.0 0.0 4.83 923 813 A 20 LEU H A 19 MET HE% 1.0 0.0 5.41 924 814 A 44 ILE HB A 20 LEU HD1% 1.0 0.0 5.67 925 815 A 20 LEU HD1% A 67 ILE HG12 1.0 0.0 6.00 926 815 A 67 ILE HG13 A 20 LEU HD1% 1.0 0.0 6.00 927 816 A 20 LEU HD1% A 17 ARG HB2 1.0 0.0 5.15 928 816 A 17 ARG HB3 A 20 LEU HD1% 1.0 0.0 5.15 929 817 A 20 LEU HD1% A 45 GLU HBy 1.0 0.0 5.08 930 818 A 63 VAL HA A 20 LEU HD1% 1.0 0.0 6.30 931 819 A 20 LEU HD1% A 45 GLU HA 1.0 0.0 4.98 932 820 A 41 SER HG A 20 LEU HD1% 1.0 0.0 6.21 933 821 A 20 LEU HD1% A 45 GLU HBx 1.0 0.0 5.08 934 822 A 22 ALA HB% A 21 THR HG2% 1.0 0.0 5.66 935 823 A 21 THR HG2% A 25 GLN HB2 1.0 0.0 6.30 936 823 A 21 THR HG2% A 25 GLN HB3 1.0 0.0 6.30 937 824 A 21 THR HG2% A 37 CYS HBx 1.0 0.0 5.19 938 825 A 21 THR HG2% A 22 ALA HA 1.0 0.0 5.00 939 826 A 21 THR HG2% A 38 GLU HA 1.0 0.0 4.61 940 827 A 21 THR HG2% A 41 SER HG 1.0 0.0 5.57 941 828 A 22 ALA HB% A 67 ILE HG2% 1.0 0.0 6.01 942 829 A 22 ALA HB% A 25 GLN HB2 1.0 0.0 6.30 943 829 A 22 ALA HB% A 25 GLN HB3 1.0 0.0 6.30 944 830 A 22 ALA HB% A 19 MET HB2 1.0 0.0 6.30 945 830 A 22 ALA HB% A 19 MET HB3 1.0 0.0 6.30 946 831 A 22 ALA HB% A 23 ALA HA 1.0 0.0 4.77 947 832 A 22 ALA HB% A 19 MET H 1.0 0.0 6.01 948 833 A 22 ALA HB% A 24 LEU H 1.0 0.0 6.30 949 834 A 23 ALA HB% A 70 LEU HD2% 1.0 0.0 3.56 950 835 A 23 ALA HB% A 70 LEU HD1% 1.0 0.0 3.89 951 836 A 23 ALA HB% A 71 LYS HE2 1.0 0.0 5.92 952 836 A 23 ALA HB% A 71 LYS HE3 1.0 0.0 5.92 953 837 A 23 ALA HB% A 67 ILE HA 1.0 0.0 4.58 954 838 A 23 ALA HB% A 70 LEU H 1.0 0.0 5.21 955 839 A 23 ALA HB% A 22 ALA H 1.0 0.0 5.74 956 840 A 21 THR HG2% A 24 LEU HA 1.0 0.0 5.87 957 841 A 41 SER HG A 24 LEU HD1% 1.0 0.0 5.92 958 842 A 82 VAL HB A 24 LEU HD2% 1.0 0.0 5.41 959 843 A 24 LEU HD2% A 70 LEU HA 1.0 0.0 5.48 960 844 A 25 GLN H A 24 LEU HD2% 1.0 0.0 5.55 961 845 A 24 LEU HD1% A 42 ALA H 1.0 0.0 6.30 962 846 A 26 THR HA A 27 ASP HA 1.0 0.0 5.25 963 847 A 23 ALA HB% A 26 THR HG2% 1.0 0.0 4.30 964 848 A 26 THR HG2% A 71 LYS HB2 1.0 0.0 4.87 965 848 A 71 LYS HB3 A 26 THR HG2% 1.0 0.0 4.87 966 849 A 26 THR HG2% A 27 ASP HBx 1.0 0.0 4.69 967 850 A 26 THR HG2% A 27 ASP HBy 1.0 0.0 4.69 968 851 A 23 ALA H A 26 THR HG2% 1.0 0.0 6.30 969 852 A 26 THR HG2% A 29 ASP H 1.0 0.0 6.30 970 853 A 71 LYS H A 26 THR HG2% 1.0 0.0 6.30 971 854 A 26 THR HG2% A 27 ASP HA 1.0 0.0 4.69 972 855 A 83 LEU HD1% A 29 ASP HA 1.0 0.0 5.81 973 856 A 29 ASP HA A 83 LEU HD2% 1.0 0.0 6.30 974 857 A 71 LYS H A 71 LYS HE2 1.0 0.0 4.96 975 857 A 71 LYS H A 71 LYS HE3 1.0 0.0 4.96 976 858 A 33 ILE H A 31 VAL HG2% 1.0 0.0 5.71 977 859 A 34 GLY H A 32 ALA HA 1.0 0.0 6.30 978 860 A 32 ALA HB% A 31 VAL HG1% 1.0 0.0 4.90 979 861 A 33 ILE HD1% A 32 ALA HB% 1.0 0.0 5.18 980 862 A 31 VAL H A 32 ALA HB% 1.0 0.0 4.89 981 863 A 110 LYS HA A 110 LYS HD2 1.0 0.0 3.48 982 863 A 110 LYS HD3 A 110 LYS HA 1.0 0.0 3.48 983 864 A 33 ILE H A 33 ILE HG1y 1.0 0.0 4.67 984 865 A 106 LYS H A 106 LYS HD2 1.0 0.0 4.76 985 865 A 106 LYS H A 106 LYS HD3 1.0 0.0 4.76 986 866 A 103 ASP HA A 106 LYS HD2 1.0 0.0 3.99 987 866 A 103 ASP HA A 106 LYS HD3 1.0 0.0 3.99 988 867 A 67 ILE HG2% A 67 ILE HA 1.0 0.0 3.95 989 868 A 23 ALA HB% A 67 ILE HG2% 1.0 0.0 3.23 990 869 A 67 ILE HG2% A 67 ILE HG12 1.0 0.0 3.20 991 869 A 67 ILE HG2% A 67 ILE HG13 1.0 0.0 3.20 992 870 A 33 ILE HG2% A 84 CYS HA 1.0 0.0 4.33 993 871 A 105 LEU HA A 108 ILE HG2% 1.0 0.0 4.06 994 872 A 48 ILE HG2% A 49 PHE HA 1.0 0.0 3.90 995 873 A 48 ILE HG2% A 45 GLU HA 1.0 0.0 4.71 996 874 A 67 ILE HG2% A 20 LEU HA 1.0 0.0 4.70 997 875 A 67 ILE HG2% A 23 ALA HA 1.0 0.0 4.87 998 876 A 33 ILE HG2% A 84 CYS H 1.0 0.0 6.30 999 877 A 108 ILE H A 108 ILE HG2% 1.0 0.0 4.70 1000 878 A 35 ALA HB% A 83 LEU HG 1.0 0.0 6.30 1001 879 A 35 ALA HB% A 30 HIS HBx 1.0 0.0 4.96 1002 880 A 40 LEU H A 35 ALA HB% 1.0 0.0 6.30 1003 881 A 35 ALA HB% A 84 CYS H 1.0 0.0 6.30 1004 882 A 21 THR HG2% A 37 CYS HBy 1.0 0.0 5.19 1005 883 A 21 THR HG1 A 38 GLU HA 1.0 0.0 5.03 1006 884 A 39 ARG HA A 39 ARG HGy 1.0 0.0 4.26 1007 885 A 43 GLN H A 39 ARG HA 1.0 0.0 6.08 1008 886 A 39 ARG HD3 A 39 ARG HGx 1.0 0.0 2.93 1009 886 A 39 ARG HGx A 39 ARG HD2 1.0 0.0 2.93 1010 887 A 40 LEU HD2% A 39 ARG HD2 1.0 0.0 3.80 1011 887 A 40 LEU HD2% A 39 ARG HD3 1.0 0.0 3.80 1012 888 A 109 ARG HD3 A 109 ARG HGy 1.0 0.0 3.04 1013 888 A 109 ARG HGy A 109 ARG HD2 1.0 0.0 3.04 1014 889 A 109 ARG HD2 A 109 ARG HGx 1.0 0.0 3.04 1015 889 A 109 ARG HD3 A 109 ARG HGx 1.0 0.0 3.04 1016 890 A 109 ARG HD3 A 109 ARG HBy 1.0 0.0 3.46 1017 890 A 109 ARG HBy A 109 ARG HD2 1.0 0.0 3.46 1018 891 A 64 ARG HB2 A 64 ARG HD2 1.0 0.0 3.14 1019 891 A 64 ARG HB3 A 64 ARG HD2 1.0 0.0 3.14 1020 891 A 64 ARG HD3 A 64 ARG HB2 1.0 0.0 3.14 1021 891 A 64 ARG HB3 A 64 ARG HD3 1.0 0.0 3.14 1022 892 A 38 GLU HG3 A 39 ARG HD2 1.0 0.0 5.71 1023 892 A 38 GLU HG2 A 39 ARG HD2 1.0 0.0 5.71 1024 892 A 39 ARG HD3 A 38 GLU HG2 1.0 0.0 5.71 1025 892 A 38 GLU HG3 A 39 ARG HD3 1.0 0.0 5.71 1026 893 A 39 ARG HA A 39 ARG HD2 1.0 0.0 4.55 1027 893 A 39 ARG HA A 39 ARG HD3 1.0 0.0 4.55 1028 894 A 39 ARG H A 39 ARG HD2 1.0 0.0 5.46 1029 894 A 39 ARG H A 39 ARG HD3 1.0 0.0 5.46 1030 895 A 40 LEU H A 39 ARG HD2 1.0 0.0 5.90 1031 895 A 40 LEU H A 39 ARG HD3 1.0 0.0 5.90 1032 896 A 50 ARG H A 50 ARG HD2 1.0 0.0 5.21 1033 896 A 50 ARG H A 50 ARG HD3 1.0 0.0 5.21 1034 897 A 64 ARG H A 64 ARG HD2 1.0 0.0 4.94 1035 897 A 64 ARG H A 64 ARG HD3 1.0 0.0 4.94 1036 898 A 49 PHE HD% A 50 ARG HD2 1.0 0.0 5.70 1037 898 A 49 PHE HD% A 50 ARG HD3 1.0 0.0 5.70 1038 899 A 37 CYS HA A 40 LEU HBx 1.0 0.0 5.08 1039 900 A 35 ALA HB% A 40 LEU HD1% 1.0 0.0 4.26 1040 901 A 40 LEU HD1% A 35 ALA HA 1.0 0.0 5.32 1041 902 A 39 ARG H A 40 LEU HD1% 1.0 0.0 6.30 1042 903 A 85 GLY H A 40 LEU HD1% 1.0 0.0 6.30 1043 904 A 37 CYS HA A 40 LEU HD2% 1.0 0.0 4.40 1044 905 A 39 ARG H A 40 LEU HD2% 1.0 0.0 6.30 1045 906 A 85 GLY H A 40 LEU HD2% 1.0 0.0 6.30 1046 907 A 21 THR H A 41 SER HBx 1.0 0.0 5.83 1047 908 A 21 THR HA A 41 SER HBx 1.0 0.0 5.27 1048 909 A 21 THR H A 41 SER HBy 1.0 0.0 5.83 1049 910 A 42 ALA HB% A 5 VAL HG1% 1.0 0.0 4.08 1050 910 A 42 ALA HB% A 5 VAL HG2% 1.0 0.0 4.08 1051 911 A 44 ILE HD1% A 45 GLU H 1.0 0.0 5.94 1052 912 A 51 ASP H A 48 ILE HA 1.0 0.0 6.14 1053 913 A 48 ILE HG2% A 59 TYR HE% 1.0 0.0 4.26 1054 914 A 48 ILE H A 48 ILE HG2% 1.0 0.0 4.98 1055 915 A 48 ILE HD1% A 66 ARG HG2 1.0 0.0 5.48 1056 915 A 66 ARG HG3 A 48 ILE HD1% 1.0 0.0 5.48 1057 916 A 49 PHE HD% A 50 ARG HA 1.0 0.0 5.88 1058 917 A 52 VAL HB A 59 TYR HD% 1.0 0.0 5.65 1059 918 A 52 VAL HG1% A 58 LYS HGx 1.0 0.0 5.83 1060 919 A 52 VAL HG1% A 58 LYS HGy 1.0 0.0 5.83 1061 920 A 52 VAL HG1% A 62 ARG HB2 1.0 0.0 4.12 1062 920 A 52 VAL HG1% A 62 ARG HB3 1.0 0.0 4.12 1063 921 A 52 VAL HG1% A 49 PHE HA 1.0 0.0 6.23 1064 922 A 52 VAL HG1% A 58 LYS HA 1.0 0.0 6.30 1065 923 A 52 VAL HG2% A 58 LYS HD2 1.0 0.0 5.49 1066 923 A 52 VAL HG2% A 58 LYS HD3 1.0 0.0 5.49 1067 924 A 52 VAL HG2% A 48 ILE HB 1.0 0.0 5.26 1068 925 A 52 VAL HG2% A 62 ARG HB2 1.0 0.0 5.50 1069 925 A 52 VAL HG2% A 62 ARG HB3 1.0 0.0 5.50 1070 926 A 52 VAL HG2% A 59 TYR HB2 1.0 0.0 5.40 1071 927 A 60 LYS HE3 A 60 LYS HGx 1.0 0.0 4.17 1072 927 A 60 LYS HGx A 60 LYS HE2 1.0 0.0 4.17 1073 928 A 60 LYS HE2 A 60 LYS HGy 1.0 0.0 4.17 1074 928 A 60 LYS HE3 A 60 LYS HGy 1.0 0.0 4.17 1075 929 A 55 THR HA A 60 LYS HE2 1.0 0.0 5.03 1076 929 A 60 LYS HE3 A 55 THR HA 1.0 0.0 5.03 1077 930 A 59 TYR HD% A 60 LYS HE2 1.0 0.0 5.12 1078 930 A 59 TYR HD% A 60 LYS HE3 1.0 0.0 5.12 1079 931 A 60 LYS H A 60 LYS HE2 1.0 0.0 5.72 1080 931 A 60 LYS H A 60 LYS HE3 1.0 0.0 5.72 1081 932 A 103 ASP HA A 106 LYS HGy 1.0 0.0 5.19 1082 933 A 103 ASP HA A 106 LYS HGx 1.0 0.0 5.19 1083 934 A 63 VAL HG1% A 20 LEU HG 1.0 0.0 4.95 1084 935 A 63 VAL HG1% A 67 ILE HG12 1.0 0.0 5.09 1085 935 A 63 VAL HG1% A 67 ILE HG13 1.0 0.0 5.09 1086 936 A 63 VAL HG1% A 60 LYS HA 1.0 0.0 5.94 1087 937 A 63 VAL HG2% A 62 ARG H 1.0 0.0 6.18 1088 938 A 61 ASN HA A 64 ARG HB2 1.0 0.0 4.21 1089 938 A 61 ASN HA A 64 ARG HB3 1.0 0.0 4.21 1090 939 A 64 ARG HA A 64 ARG HGx 1.0 0.0 4.19 1091 940 A 64 ARG HA A 64 ARG HD2 1.0 0.0 5.22 1092 940 A 64 ARG HD3 A 64 ARG HA 1.0 0.0 5.22 1093 941 A 61 ASN HA A 64 ARG HD2 1.0 0.0 4.77 1094 941 A 61 ASN HA A 64 ARG HD3 1.0 0.0 4.77 1095 942 A 68 SER HA A 71 LYS HD2 1.0 0.0 4.74 1096 942 A 71 LYS HD3 A 68 SER HA 1.0 0.0 4.74 1097 943 A 67 ILE HA A 20 LEU HD2% 1.0 0.0 4.27 1098 944 A 67 ILE HA A 70 LEU HD1% 1.0 0.0 4.41 1099 945 A 67 ILE HD1% A 19 MET HB2 1.0 0.0 3.37 1100 945 A 67 ILE HD1% A 19 MET HB3 1.0 0.0 3.37 1101 946 A 67 ILE HD1% A 20 LEU HG 1.0 0.0 4.97 1102 947 A 23 ALA HB% A 67 ILE HD1% 1.0 0.0 5.47 1103 948 A 67 ILE HD1% A 67 ILE HB 1.0 0.0 3.97 1104 949 A 67 ILE HD1% A 19 MET HGy 1.0 0.0 6.24 1105 950 A 67 ILE HD1% A 19 MET HGx 1.0 0.0 6.24 1106 951 A 67 ILE HD1% A 20 LEU H 1.0 0.0 5.15 1107 952 A 65 SER HA A 68 SER HB2 1.0 0.0 4.73 1108 952 A 65 SER HA A 68 SER HB3 1.0 0.0 4.73 1109 953 A 70 LEU HD1% A 70 LEU HB3 1.0 0.0 4.40 1110 954 A 70 LEU HB2 A 70 LEU HD1% 1.0 0.0 4.28 1111 955 A 70 LEU HD1% A 24 LEU H 1.0 0.0 6.09 1112 956 A 70 LEU HB2 A 70 LEU HD2% 1.0 0.0 4.43 1113 957 A 71 LYS HA A 71 LYS HD2 1.0 0.0 5.26 1114 957 A 71 LYS HD3 A 71 LYS HA 1.0 0.0 5.26 1115 958 A 68 SER HB3 A 71 LYS HD2 1.0 0.0 4.87 1116 958 A 68 SER HB2 A 71 LYS HD2 1.0 0.0 4.87 1117 958 A 71 LYS HD3 A 68 SER HB2 1.0 0.0 4.87 1118 958 A 68 SER HB3 A 71 LYS HD3 1.0 0.0 4.87 1119 959 A 26 THR HG2% A 71 LYS HE2 1.0 0.0 4.66 1120 959 A 26 THR HG2% A 71 LYS HE3 1.0 0.0 4.66 1121 960 A 71 LYS HB3 A 71 LYS HE2 1.0 0.0 3.51 1122 960 A 71 LYS HB2 A 71 LYS HE2 1.0 0.0 3.51 1123 960 A 71 LYS HE3 A 71 LYS HB2 1.0 0.0 3.51 1124 960 A 71 LYS HB3 A 71 LYS HE3 1.0 0.0 3.51 1125 961 A 23 ALA HA A 71 LYS HE2 1.0 0.0 4.38 1126 961 A 23 ALA HA A 71 LYS HE3 1.0 0.0 4.38 1127 962 A 68 SER HA A 71 LYS HE2 1.0 0.0 4.77 1128 962 A 68 SER HA A 71 LYS HE3 1.0 0.0 4.77 1129 963 A 71 LYS HA A 71 LYS HE2 1.0 0.0 4.79 1130 963 A 71 LYS HA A 71 LYS HE3 1.0 0.0 4.79 1131 964 A 68 SER H A 71 LYS HE2 1.0 0.0 6.30 1132 964 A 68 SER H A 71 LYS HE3 1.0 0.0 6.30 1133 965 A 70 LEU H A 71 LYS HE2 1.0 0.0 6.30 1134 965 A 70 LEU H A 71 LYS HE3 1.0 0.0 6.30 1135 966 A 73 ALA HB% A 74 LYS HE2 1.0 0.0 6.30 1136 966 A 73 ALA HB% A 74 LYS HE3 1.0 0.0 6.30 1137 967 A 17 ARG H A 14 ASN HA 1.0 0.0 5.06 1138 968 A 75 ASN H A 74 LYS HD2 1.0 0.0 5.54 1139 968 A 74 LYS HD3 A 75 ASN H 1.0 0.0 5.54 1140 969 A 78 LEU HD1% A 95 MET HE% 1.0 0.0 4.08 1141 970 A 82 VAL HG2% A 87 ILE H 1.0 0.0 5.61 1142 971 A 82 VAL HG1% A 83 LEU HA 1.0 0.0 4.66 1143 972 A 83 LEU HD1% A 83 LEU HA 1.0 0.0 5.63 1144 973 A 83 LEU HD1% A 30 HIS HA 1.0 0.0 5.87 1145 974 A 86 ALA HB% A 81 ASN HBy 1.0 0.0 4.92 1146 975 A 111 ALA HB% A 108 ILE HG2% 1.0 0.0 3.34 1147 976 A 87 ILE HG2% A 91 GLN HBy 1.0 0.0 4.34 1148 977 A 87 ILE HG2% A 92 ILE HA 1.0 0.0 4.41 1149 978 A 87 ILE HG2% A 87 ILE H 1.0 0.0 5.62 1150 979 A 87 ILE HD1% A 81 ASN HBx 1.0 0.0 4.36 1151 980 A 87 ILE HD1% A 81 ASN HBy 1.0 0.0 4.36 1152 981 A 87 ILE HD1% A 87 ILE HB 1.0 0.0 3.98 1153 982 A 87 ILE HD1% A 82 VAL HA 1.0 0.0 4.56 1154 983 A 87 ILE HD1% A 78 LEU HA 1.0 0.0 4.43 1155 984 A 87 ILE HD1% A 87 ILE HA 1.0 0.0 4.55 1156 985 A 87 ILE HD1% A 82 VAL H 1.0 0.0 5.31 1157 986 A 88 THR HG2% A 91 GLN HBx 1.0 0.0 6.30 1158 987 A 88 THR HG2% A 91 GLN HBy 1.0 0.0 6.30 1159 988 A 92 ILE HG2% A 92 ILE HG1y 1.0 0.0 3.98 1160 989 A 92 ILE HG2% A 92 ILE HG1x 1.0 0.0 3.98 1161 990 A 92 ILE HG2% A 44 ILE HB 1.0 0.0 5.01 1162 991 A 92 ILE HG2% A 89 PRO HB2 1.0 0.0 5.35 1163 991 A 92 ILE HG2% A 89 PRO HB3 1.0 0.0 5.35 1164 992 A 92 ILE HG2% A 93 ALA HA 1.0 0.0 5.26 1165 993 A 92 ILE HD1% A 95 MET HE% 1.0 0.0 3.79 1166 994 A 92 ILE HB A 92 ILE HD1% 1.0 0.0 3.83 1167 995 A 95 MET HB3 A 92 ILE HD1% 1.0 0.0 4.95 1168 996 A 93 ALA HB% A 48 ILE HB 1.0 0.0 4.82 1169 997 A 94 VAL HG2% A 93 ALA HB% 1.0 0.0 6.16 1170 998 A 93 ALA HB% A 48 ILE HD1% 1.0 0.0 4.77 1171 999 A 95 MET H A 94 VAL HB 1.0 0.0 5.03 1172 1000 A 94 VAL HG1% A 93 ALA HB% 1.0 0.0 4.30 1173 1001 A 94 VAL HG1% A 90 GLN HA 1.0 0.0 6.06 1174 1002 A 94 VAL HG1% A 91 GLN HA 1.0 0.0 6.30 1175 1003 A 94 VAL HG1% A 93 ALA H 1.0 0.0 6.30 1176 1004 A 94 VAL HG2% A 95 MET HB2 1.0 0.0 6.12 1177 1005 A 95 MET HE% A 95 MET HGx 1.0 0.0 3.97 1178 1006 A 95 MET HE% A 95 MET HGy 1.0 0.0 3.97 1179 1007 A 92 ILE HA A 95 MET HE% 1.0 0.0 4.01 1180 1008 A 95 MET HE% A 95 MET HA 1.0 0.0 4.47 1181 1009 A 95 MET H A 95 MET HE% 1.0 0.0 4.92 1182 1010 A 100 MET H A 95 MET HE% 1.0 0.0 5.39 1183 1011 A 92 ILE H A 95 MET HE% 1.0 0.0 5.66 1184 1012 A 96 THR HG2% A 99 GLU HGx 1.0 0.0 6.30 1185 1013 A 96 THR HG2% A 99 GLU HGy 1.0 0.0 6.30 1186 1014 A 98 GLU HA A 98 GLU HGx 1.0 0.0 4.07 1187 1015 A 99 GLU HA A 99 GLU HGx 1.0 0.0 4.21 1188 1016 A 98 GLU H A 98 GLU HGx 1.0 0.0 6.30 1189 1017 A 98 GLU H A 98 GLU HGy 1.0 0.0 6.30 1190 1018 A 100 MET HE% A 100 MET HGy 1.0 0.0 4.50 1191 1019 A 100 MET HE% A 100 MET HGx 1.0 0.0 4.50 1192 1020 A 100 MET HE% A 97 SER HB2 1.0 0.0 4.45 1193 1020 A 97 SER HB3 A 100 MET HE% 1.0 0.0 4.45 1194 1021 A 69 ASN H A 100 MET HE% 1.0 0.0 5.71 1195 1022 A 70 LEU H A 100 MET HE% 1.0 0.0 5.94 1196 1023 A 108 ILE HG2% A 111 ALA HA 1.0 0.0 5.12 1197 1024 A 101 ALA HA A 75 ASN HD2y 1.0 0.0 4.81 1198 1025 A 101 ALA HB% A 100 MET H 1.0 0.0 4.63 1199 1026 A 101 ALA HB% A 98 GLU HA 1.0 0.0 4.00 1200 1027 A 104 GLU H A 104 GLU HGx 1.0 0.0 4.75 1201 1028 A 105 LEU HA A 105 LEU HD1% 1.0 0.0 3.69 1202 1029 A 105 LEU HD1% A 105 LEU HBx 1.0 0.0 3.50 1203 1030 A 105 LEU HD1% A 105 LEU HBy 1.0 0.0 3.50 1204 1031 A 108 ILE HB A 105 LEU HD1% 1.0 0.0 5.27 1205 1032 A 105 LEU H A 105 LEU HD1% 1.0 0.0 4.96 1206 1033 A 108 ILE HB A 105 LEU HD2% 1.0 0.0 4.16 1207 1034 A 105 LEU HD2% A 104 GLU HGx 1.0 0.0 6.13 1208 1035 A 105 LEU HD2% A 104 GLU HGy 1.0 0.0 6.13 1209 1036 A 106 LYS HA A 106 LYS HD2 1.0 0.0 3.63 1210 1036 A 106 LYS HA A 106 LYS HD3 1.0 0.0 3.63 1211 1037 A 103 ASP HA A 106 LYS HB2 1.0 0.0 4.44 1212 1037 A 106 LYS HB3 A 103 ASP HA 1.0 0.0 4.44 1213 1038 A 106 LYS HA A 106 LYS HGy 1.0 0.0 4.00 1214 1039 A 108 ILE H A 107 GLU HBy 1.0 0.0 5.50 1215 1040 A 104 GLU HA A 104 GLU HGx 1.0 0.0 3.83 1216 1041 A 104 GLU HA A 104 GLU HGy 1.0 0.0 3.83 1217 1042 A 107 GLU HA A 107 GLU HGy 1.0 0.0 3.99 1218 1043 A 108 ILE HB A 109 ARG H 1.0 0.0 5.13 1219 1044 A 107 GLU H A 108 ILE HG1x 1.0 0.0 5.76 1220 1045 A 107 GLU H A 108 ILE HG1y 1.0 0.0 5.76 1221 1046 A 107 GLU HA A 107 GLU HGx 1.0 0.0 3.99 1222 1047 A 59 TYR HD% A 55 THR HG2% 1.0 0.0 5.83 1223 1048 A 59 TYR HE% A 55 THR HG2% 1.0 0.0 6.30 1224 1049 A 49 PHE HD% A 55 THR HG2% 1.0 0.0 5.57 1225 1050 A 113 THR HG2% A 113 THR HA 1.0 0.0 4.35 1226 1051 A 12 VAL HG2% A 55 THR HG2% 1.0 0.0 5.53 1227 1052 A 12 VAL HG1% A 55 THR HG2% 1.0 0.0 4.64 1228 1053 A 59 TYR HD% A 59 TYR HA 1.0 0.0 5.21 1229 1054 A 12 VAL HG1% A 55 THR HB 1.0 0.0 4.45 1230 1055 A 59 TYR HD% A 55 THR HB 1.0 0.0 6.30 1231 1056 A 59 TYR HE% A 55 THR HB 1.0 0.0 6.30 1232 1057 A 52 VAL HG1% A 59 TYR HB3 1.0 0.0 4.88 1233 1058 A 52 VAL HG2% A 59 TYR HB3 1.0 0.0 6.14 1234 1059 A 88 THR HB A 89 PRO HDy 1.0 0.0 5.94 1235 1060 A 88 THR HB A 89 PRO HDx 1.0 0.0 5.94 1236 1061 A 12 VAL HB A 9 CYS HB2 1.0 0.0 5.51 1237 1061 A 12 VAL HB A 9 CYS HB3 1.0 0.0 5.51 1238 1062 A 67 ILE HD1% A 19 MET HA 1.0 0.0 5.12 1239 1063 A 63 VAL HG2% A 19 MET HE% 1.0 0.0 5.27 1240 1064 A 23 ALA H A 20 LEU HA 1.0 0.0 5.87 1241 1065 A 21 THR HG2% A 37 CYS HA 1.0 0.0 6.04 1242 1066 A 29 ASP HA A 32 ALA HB% 1.0 0.0 4.58 1243 1067 A 82 VAL HB A 40 LEU HD2% 1.0 0.0 6.30 1244 1068 A 35 ALA HB% A 40 LEU HD2% 1.0 0.0 4.97 1245 1069 A 21 THR HA A 41 SER HBy 1.0 0.0 5.27 1246 1070 A 42 ALA HB% A 39 ARG HA 1.0 0.0 3.92 1247 1071 A 52 VAL HB A 48 ILE HG12 1.0 0.0 6.16 1248 1071 A 52 VAL HB A 48 ILE HG13 1.0 0.0 6.16 1249 1072 A 58 LYS HA A 58 LYS HD2 1.0 0.0 5.41 1250 1072 A 58 LYS HA A 58 LYS HD3 1.0 0.0 5.41 1251 1073 A 52 VAL HG1% A 58 LYS HD2 1.0 0.0 4.04 1252 1073 A 52 VAL HG1% A 58 LYS HD3 1.0 0.0 4.04 1253 1074 A 67 ILE HA A 20 LEU HA 1.0 0.0 6.30 1254 1075 A 74 LYS HE2 A 74 LYS HGy 1.0 0.0 4.41 1255 1075 A 74 LYS HE3 A 74 LYS HGy 1.0 0.0 4.41 1256 1076 A 74 LYS HB3 A 74 LYS HE2 1.0 0.0 4.37 1257 1076 A 74 LYS HB2 A 74 LYS HE2 1.0 0.0 4.37 1258 1076 A 74 LYS HE3 A 74 LYS HB2 1.0 0.0 4.37 1259 1076 A 74 LYS HB3 A 74 LYS HE3 1.0 0.0 4.37 1260 1077 A 74 LYS HA A 74 LYS HE2 1.0 0.0 5.07 1261 1077 A 74 LYS HA A 74 LYS HE3 1.0 0.0 5.07 1262 1078 A 70 LEU HD2% A 82 VAL HB 1.0 0.0 5.04 1263 1079 A 83 LEU HD2% A 30 HIS HBx 1.0 0.0 5.63 1264 1080 A 83 LEU HD2% A 30 HIS HBy 1.0 0.0 5.63 1265 1081 A 83 LEU H A 83 LEU HD2% 1.0 0.0 4.91 1266 1082 A 105 LEU HA A 108 ILE HG1y 1.0 0.0 4.91 1267 1083 A 21 THR HG2% A 25 GLN HG2 1.0 0.0 4.91 1268 1083 A 21 THR HG2% A 25 GLN HG3 1.0 0.0 4.91 1269 1084 A 108 ILE HB A 108 ILE HD1% 1.0 0.0 3.64 1270 1085 A 95 MET HB3 A 92 ILE HA 1.0 0.0 6.06 1271 1086 A 97 SER HA A 100 MET H 1.0 0.0 6.04 1272 1087 A 109 ARG HA A 109 ARG HD2 1.0 0.0 3.71 1273 1087 A 109 ARG HD3 A 109 ARG HA 1.0 0.0 3.71 1274 1088 A 101 ALA HA A 100 MET H 1.0 0.0 5.51 1275 1089 A 55 THR HG2% A 49 PHE HE% 1.0 0.0 4.25 1276 1090 A 28 HIS HB2 A 28 HIS HD2 1.0 0.0 3.77 1277 1091 A 31 VAL HG2% A 28 HIS HD2 1.0 0.0 4.19 1278 1092 A 49 PHE HD% A 49 PHE HA 1.0 0.0 4.34 1279 1093 A 28 HIS HB3 A 28 HIS HD2 1.0 0.0 4.03 1280 1094 A 59 TYR HD% A 55 THR HA 1.0 0.0 3.93 1281 1095 A 59 TYR HD% A 48 ILE HG2% 1.0 0.0 5.72 1282 1096 A 63 VAL HG1% A 59 TYR HD% 1.0 0.0 6.30 1283 1097 A 12 VAL HG1% A 59 TYR HE% 1.0 0.0 3.91 1284 1098 A 28 HIS HD2 A 25 GLN HA 1.0 0.0 4.75 1285 1099 A 28 HIS HA A 28 HIS HD2 1.0 0.0 4.90 1286 1100 A 63 VAL HG2% A 59 TYR HE% 1.0 0.0 4.50 1287 1101 A 3 MET HA A 4 PRO HDy 1.0 0.0 3.21 1288 1101 A 3 MET HA A 4 PRO HDx 1.0 0.0 3.21 1289 1102 A 3 MET HBx A 4 PRO HDy 1.0 0.0 3.54 1290 1102 A 3 MET HBy A 4 PRO HDy 1.0 0.0 3.54 1291 1102 A 4 PRO HDx A 3 MET HBx 1.0 0.0 3.54 1292 1102 A 4 PRO HDx A 3 MET HBy 1.0 0.0 3.54 1293 1103 A 3 MET HGy A 4 PRO HDy 1.0 0.0 4.59 1294 1103 A 3 MET HGx A 4 PRO HDy 1.0 0.0 4.59 1295 1103 A 4 PRO HDx A 3 MET HGx 1.0 0.0 4.59 1296 1103 A 4 PRO HDx A 3 MET HGy 1.0 0.0 4.59 1297 1104 A 5 VAL H A 4 PRO HBy 1.0 0.0 3.99 1298 1104 A 5 VAL H A 4 PRO HBx 1.0 0.0 3.99 1299 1105 A 4 PRO HBx A 5 VAL HG1% 1.0 0.0 5.28 1300 1105 A 5 VAL HG2% A 4 PRO HBy 1.0 0.0 5.28 1301 1105 A 5 VAL HG2% A 4 PRO HBx 1.0 0.0 5.28 1302 1105 A 4 PRO HBy A 5 VAL HG1% 1.0 0.0 5.28 1303 1106 A 5 VAL HA A 6 PRO HGx 1.0 0.0 4.15 1304 1106 A 5 VAL HA A 6 PRO HGy 1.0 0.0 4.15 1305 1107 A 5 VAL HA A 6 PRO HDy 1.0 0.0 2.97 1306 1107 A 5 VAL HA A 6 PRO HDx 1.0 0.0 2.97 1307 1108 A 5 VAL HB A 6 PRO HDy 1.0 0.0 4.41 1308 1108 A 5 VAL HB A 6 PRO HDx 1.0 0.0 4.41 1309 1109 A 5 VAL HG2% A 6 PRO HGx 1.0 0.0 4.42 1310 1109 A 5 VAL HG1% A 6 PRO HGx 1.0 0.0 4.42 1311 1109 A 6 PRO HGy A 5 VAL HG1% 1.0 0.0 4.42 1312 1109 A 5 VAL HG2% A 6 PRO HGy 1.0 0.0 4.42 1313 1110 A 5 VAL HG2% A 43 GLN HE2y 1.0 0.0 6.10 1314 1110 A 5 VAL HG1% A 43 GLN HE2y 1.0 0.0 6.10 1315 1110 A 43 GLN HE2x A 5 VAL HG1% 1.0 0.0 6.10 1316 1110 A 5 VAL HG2% A 43 GLN HE2x 1.0 0.0 6.10 1317 1111 A 7 VAL H A 6 PRO HGx 1.0 0.0 4.44 1318 1111 A 7 VAL H A 6 PRO HGy 1.0 0.0 4.44 1319 1112 A 14 ASN HD2y A 8 THR HB 1.0 0.0 6.10 1320 1112 A 14 ASN HD2x A 8 THR HB 1.0 0.0 6.10 1321 1113 A 8 THR HG2% A 13 ARG HBy 1.0 0.0 6.10 1322 1113 A 8 THR HG2% A 13 ARG HBx 1.0 0.0 6.10 1323 1114 A 14 ASN HD2y A 11 ALA HA 1.0 0.0 6.10 1324 1114 A 11 ALA HA A 14 ASN HD2x 1.0 0.0 6.10 1325 1115 A 11 ALA HB% A 14 ASN HBx 1.0 0.0 5.44 1326 1115 A 11 ALA HB% A 14 ASN HBy 1.0 0.0 5.44 1327 1116 A 12 VAL HA A 15 LYS HBy 1.0 0.0 6.10 1328 1116 A 12 VAL HA A 15 LYS HBx 1.0 0.0 6.10 1329 1117 A 14 ASN H A 14 ASN HBx 1.0 0.0 3.35 1330 1117 A 14 ASN H A 14 ASN HBy 1.0 0.0 3.35 1331 1118 A 14 ASN HD2y A 14 ASN HBx 1.0 0.0 3.38 1332 1118 A 14 ASN HD2x A 14 ASN HBx 1.0 0.0 3.38 1333 1118 A 14 ASN HD2x A 14 ASN HBy 1.0 0.0 3.38 1334 1118 A 14 ASN HD2y A 14 ASN HBy 1.0 0.0 3.38 1335 1119 A 15 LYS H A 14 ASN HBx 1.0 0.0 3.87 1336 1119 A 15 LYS H A 14 ASN HBy 1.0 0.0 3.87 1337 1120 A 15 LYS H A 15 LYS HBy 1.0 0.0 2.98 1338 1120 A 15 LYS H A 15 LYS HBx 1.0 0.0 2.98 1339 1121 A 15 LYS H A 15 LYS HGx 1.0 0.0 4.68 1340 1121 A 15 LYS H A 15 LYS HGy 1.0 0.0 4.68 1341 1122 A 15 LYS HA A 18 GLU HBy 1.0 0.0 4.17 1342 1122 A 15 LYS HA A 18 GLU HBx 1.0 0.0 4.17 1343 1123 A 15 LYS HA A 18 GLU HGy 1.0 0.0 4.28 1344 1123 A 15 LYS HA A 18 GLU HGx 1.0 0.0 4.28 1345 1124 A 15 LYS HBy A 15 LYS HE2 1.0 0.0 5.11 1346 1124 A 15 LYS HBx A 15 LYS HE2 1.0 0.0 5.11 1347 1124 A 15 LYS HE3 A 15 LYS HBy 1.0 0.0 5.11 1348 1124 A 15 LYS HE3 A 15 LYS HBx 1.0 0.0 5.11 1349 1125 A 16 CYS H A 15 LYS HBy 1.0 0.0 3.62 1350 1125 A 16 CYS H A 15 LYS HBx 1.0 0.0 3.62 1351 1126 A 15 LYS HE3 A 15 LYS HGx 1.0 0.0 3.54 1352 1126 A 15 LYS HGy A 15 LYS HE2 1.0 0.0 3.54 1353 1126 A 15 LYS HE3 A 15 LYS HGy 1.0 0.0 3.54 1354 1126 A 15 LYS HE2 A 15 LYS HGx 1.0 0.0 3.54 1355 1127 A 16 CYS H A 15 LYS HGx 1.0 0.0 5.30 1356 1127 A 16 CYS H A 15 LYS HGy 1.0 0.0 5.30 1357 1128 A 19 MET HE% A 15 LYS HGx 1.0 0.0 3.44 1358 1128 A 19 MET HE% A 15 LYS HGy 1.0 0.0 3.44 1359 1129 A 16 CYS HA A 19 MET HGx 1.0 0.0 4.29 1360 1129 A 16 CYS HA A 19 MET HGy 1.0 0.0 4.29 1361 1130 A 63 VAL HG1% A 16 CYS HBx 1.0 0.0 4.87 1362 1130 A 63 VAL HG1% A 16 CYS HBy 1.0 0.0 4.87 1363 1131 A 63 VAL HG2% A 16 CYS HBx 1.0 0.0 4.60 1364 1131 A 63 VAL HG2% A 16 CYS HBy 1.0 0.0 4.60 1365 1132 A 17 ARG H A 18 GLU HGy 1.0 0.0 5.03 1366 1132 A 17 ARG H A 18 GLU HGx 1.0 0.0 5.03 1367 1133 A 17 ARG HA A 20 LEU HBy 1.0 0.0 4.35 1368 1133 A 17 ARG HA A 20 LEU HBx 1.0 0.0 4.35 1369 1134 A 18 GLU H A 18 GLU HBy 1.0 0.0 3.41 1370 1134 A 18 GLU H A 18 GLU HBx 1.0 0.0 3.41 1371 1135 A 18 GLU H A 18 GLU HGy 1.0 0.0 3.62 1372 1135 A 18 GLU H A 18 GLU HGx 1.0 0.0 3.62 1373 1136 A 18 GLU HA A 18 GLU HGy 1.0 0.0 3.59 1374 1136 A 18 GLU HA A 18 GLU HGx 1.0 0.0 3.59 1375 1137 A 19 MET H A 18 GLU HBy 1.0 0.0 3.45 1376 1137 A 19 MET H A 18 GLU HBx 1.0 0.0 3.45 1377 1138 A 19 MET HA A 18 GLU HBy 1.0 0.0 5.18 1378 1138 A 19 MET HA A 18 GLU HBx 1.0 0.0 5.18 1379 1139 A 22 ALA HB% A 18 GLU HBy 1.0 0.0 6.10 1380 1139 A 22 ALA HB% A 18 GLU HBx 1.0 0.0 6.10 1381 1140 A 19 MET H A 19 MET HGx 1.0 0.0 3.54 1382 1140 A 19 MET H A 19 MET HGy 1.0 0.0 3.54 1383 1141 A 19 MET HA A 19 MET HGx 1.0 0.0 3.64 1384 1141 A 19 MET HA A 19 MET HGy 1.0 0.0 3.64 1385 1142 A 20 LEU HG A 19 MET HGx 1.0 0.0 5.87 1386 1142 A 20 LEU HG A 19 MET HGy 1.0 0.0 5.87 1387 1143 A 63 VAL HG1% A 19 MET HGx 1.0 0.0 5.73 1388 1143 A 63 VAL HG1% A 19 MET HGy 1.0 0.0 5.73 1389 1144 A 67 ILE HD1% A 19 MET HGx 1.0 0.0 5.38 1390 1144 A 67 ILE HD1% A 19 MET HGy 1.0 0.0 5.38 1391 1145 A 20 LEU H A 20 LEU HBy 1.0 0.0 3.44 1392 1145 A 20 LEU H A 20 LEU HBx 1.0 0.0 3.44 1393 1146 A 21 THR H A 20 LEU HBy 1.0 0.0 4.03 1394 1146 A 21 THR H A 20 LEU HBx 1.0 0.0 4.03 1395 1147 A 22 ALA H A 20 LEU HBy 1.0 0.0 5.35 1396 1147 A 22 ALA H A 20 LEU HBx 1.0 0.0 5.35 1397 1148 A 22 ALA HB% A 20 LEU HBy 1.0 0.0 6.10 1398 1148 A 22 ALA HB% A 20 LEU HBx 1.0 0.0 6.10 1399 1149 A 20 LEU HBy A 41 SER HBx 1.0 0.0 5.01 1400 1149 A 20 LEU HBx A 41 SER HBx 1.0 0.0 5.01 1401 1149 A 41 SER HBy A 20 LEU HBy 1.0 0.0 5.01 1402 1149 A 20 LEU HBx A 41 SER HBy 1.0 0.0 5.01 1403 1150 A 20 LEU HD2% A 66 ARG HBy 1.0 0.0 5.15 1404 1150 A 20 LEU HD2% A 66 ARG HBx 1.0 0.0 5.15 1405 1151 A 21 THR H A 41 SER HBx 1.0 0.0 5.13 1406 1151 A 21 THR H A 41 SER HBy 1.0 0.0 5.13 1407 1152 A 21 THR HA A 41 SER HBx 1.0 0.0 4.43 1408 1152 A 21 THR HA A 41 SER HBy 1.0 0.0 4.43 1409 1153 A 21 THR HG2% A 24 LEU HBx 1.0 0.0 5.01 1410 1153 A 21 THR HG2% A 24 LEU HBy 1.0 0.0 5.01 1411 1154 A 21 THR HG2% A 38 GLU HBx 1.0 0.0 6.10 1412 1154 A 21 THR HG2% A 38 GLU HBy 1.0 0.0 6.10 1413 1155 A 21 THR HG2% A 41 SER HBx 1.0 0.0 5.29 1414 1155 A 21 THR HG2% A 41 SER HBy 1.0 0.0 5.29 1415 1156 A 21 THR HG1 A 41 SER HBx 1.0 0.0 5.50 1416 1156 A 21 THR HG1 A 41 SER HBy 1.0 0.0 5.50 1417 1157 A 24 LEU H A 24 LEU HBx 1.0 0.0 3.48 1418 1157 A 24 LEU H A 24 LEU HBy 1.0 0.0 3.48 1419 1158 A 37 CYS HA A 24 LEU HBx 1.0 0.0 5.37 1420 1158 A 37 CYS HA A 24 LEU HBy 1.0 0.0 5.37 1421 1159 A 24 LEU HBx A 41 SER HBx 1.0 0.0 5.30 1422 1159 A 24 LEU HBy A 41 SER HBx 1.0 0.0 5.30 1423 1159 A 41 SER HBy A 24 LEU HBx 1.0 0.0 5.30 1424 1159 A 41 SER HBy A 24 LEU HBy 1.0 0.0 5.30 1425 1160 A 24 LEU HD1% A 37 CYS HBx 1.0 0.0 4.75 1426 1160 A 24 LEU HD1% A 37 CYS HBy 1.0 0.0 4.75 1427 1161 A 24 LEU HD1% A 40 LEU HBx 1.0 0.0 3.72 1428 1161 A 24 LEU HD1% A 40 LEU HBy 1.0 0.0 3.72 1429 1162 A 24 LEU HD1% A 41 SER HBx 1.0 0.0 3.48 1430 1162 A 24 LEU HD1% A 41 SER HBy 1.0 0.0 3.48 1431 1163 A 24 LEU HD2% A 37 CYS HBx 1.0 0.0 5.28 1432 1163 A 24 LEU HD2% A 37 CYS HBy 1.0 0.0 5.28 1433 1164 A 26 THR HG2% A 27 ASP HBx 1.0 0.0 4.09 1434 1164 A 26 THR HG2% A 27 ASP HBy 1.0 0.0 4.09 1435 1165 A 29 ASP H A 27 ASP HBx 1.0 0.0 5.92 1436 1165 A 29 ASP H A 27 ASP HBy 1.0 0.0 5.92 1437 1166 A 83 LEU HD1% A 29 ASP HBx 1.0 0.0 4.68 1438 1166 A 83 LEU HD1% A 29 ASP HBy 1.0 0.0 4.68 1439 1167 A 35 ALA HB% A 30 HIS HBy 1.0 0.0 4.04 1440 1167 A 35 ALA HB% A 30 HIS HBx 1.0 0.0 4.04 1441 1168 A 83 LEU HD1% A 30 HIS HBy 1.0 0.0 5.13 1442 1168 A 83 LEU HD1% A 30 HIS HBx 1.0 0.0 5.13 1443 1169 A 83 LEU HD2% A 30 HIS HBy 1.0 0.0 4.91 1444 1169 A 83 LEU HD2% A 30 HIS HBx 1.0 0.0 4.91 1445 1170 A 32 ALA HA A 33 ILE HG1y 1.0 0.0 5.12 1446 1170 A 32 ALA HA A 33 ILE HG1x 1.0 0.0 5.12 1447 1171 A 33 ILE H A 33 ILE HG1y 1.0 0.0 4.09 1448 1171 A 33 ILE H A 33 ILE HG1x 1.0 0.0 4.09 1449 1172 A 33 ILE HA A 33 ILE HG1y 1.0 0.0 3.59 1450 1172 A 33 ILE HA A 33 ILE HG1x 1.0 0.0 3.59 1451 1173 A 33 ILE HG2% A 33 ILE HG1y 1.0 0.0 3.55 1452 1173 A 33 ILE HG2% A 33 ILE HG1x 1.0 0.0 3.55 1453 1174 A 33 ILE HG2% A 84 CYS HBy 1.0 0.0 4.02 1454 1174 A 33 ILE HG2% A 84 CYS HBx 1.0 0.0 4.02 1455 1175 A 33 ILE HD1% A 83 LEU HBy 1.0 0.0 4.48 1456 1175 A 33 ILE HD1% A 83 LEU HBx 1.0 0.0 4.48 1457 1176 A 33 ILE HD1% A 84 CYS HBy 1.0 0.0 4.55 1458 1176 A 33 ILE HD1% A 84 CYS HBx 1.0 0.0 4.55 1459 1177 A 35 ALA HB% A 34 GLY HAy 1.0 0.0 6.10 1460 1177 A 35 ALA HB% A 34 GLY HAx 1.0 0.0 6.10 1461 1178 A 35 ALA HB% A 83 LEU HBy 1.0 0.0 5.42 1462 1178 A 35 ALA HB% A 83 LEU HBx 1.0 0.0 5.42 1463 1179 A 37 CYS HA A 40 LEU HBx 1.0 0.0 4.33 1464 1179 A 37 CYS HA A 40 LEU HBy 1.0 0.0 4.33 1465 1180 A 38 GLU H A 38 GLU HBx 1.0 0.0 3.50 1466 1180 A 38 GLU H A 38 GLU HBy 1.0 0.0 3.50 1467 1181 A 38 GLU HA A 38 GLU HBx 1.0 0.0 2.75 1468 1181 A 38 GLU HA A 38 GLU HBy 1.0 0.0 2.75 1469 1182 A 39 ARG H A 39 ARG HGy 1.0 0.0 4.12 1470 1182 A 39 ARG H A 39 ARG HGx 1.0 0.0 4.12 1471 1183 A 39 ARG HA A 39 ARG HGy 1.0 0.0 3.57 1472 1183 A 39 ARG HA A 39 ARG HGx 1.0 0.0 3.57 1473 1184 A 39 ARG HD2 A 39 ARG HGy 1.0 0.0 2.55 1474 1184 A 39 ARG HD3 A 39 ARG HGy 1.0 0.0 2.55 1475 1184 A 39 ARG HGx A 39 ARG HD2 1.0 0.0 2.55 1476 1184 A 39 ARG HD3 A 39 ARG HGx 1.0 0.0 2.55 1477 1185 A 40 LEU H A 39 ARG HGy 1.0 0.0 4.90 1478 1185 A 40 LEU H A 39 ARG HGx 1.0 0.0 4.90 1479 1186 A 40 LEU H A 40 LEU HBx 1.0 0.0 3.82 1480 1186 A 40 LEU H A 40 LEU HBy 1.0 0.0 3.82 1481 1187 A 40 LEU HD1% A 40 LEU HBx 1.0 0.0 3.46 1482 1187 A 40 LEU HD1% A 40 LEU HBy 1.0 0.0 3.46 1483 1188 A 41 SER H A 40 LEU HBx 1.0 0.0 3.55 1484 1188 A 41 SER H A 40 LEU HBy 1.0 0.0 3.55 1485 1189 A 40 LEU HBx A 41 SER HBx 1.0 0.0 5.35 1486 1189 A 40 LEU HBy A 41 SER HBx 1.0 0.0 5.35 1487 1189 A 41 SER HBy A 40 LEU HBx 1.0 0.0 5.35 1488 1189 A 41 SER HBy A 40 LEU HBy 1.0 0.0 5.35 1489 1190 A 44 ILE HD1% A 40 LEU HBx 1.0 0.0 5.02 1490 1190 A 44 ILE HD1% A 40 LEU HBy 1.0 0.0 5.02 1491 1191 A 82 VAL HG1% A 40 LEU HBx 1.0 0.0 5.12 1492 1191 A 82 VAL HG1% A 40 LEU HBy 1.0 0.0 5.12 1493 1192 A 40 LEU HD2% A 43 GLN HBx 1.0 0.0 5.57 1494 1192 A 40 LEU HD2% A 43 GLN HBy 1.0 0.0 5.57 1495 1193 A 40 LEU HD2% A 43 GLN HE2y 1.0 0.0 6.10 1496 1193 A 40 LEU HD2% A 43 GLN HE2x 1.0 0.0 6.10 1497 1194 A 40 LEU HD2% A 85 GLY HAx 1.0 0.0 6.10 1498 1194 A 40 LEU HD2% A 85 GLY HAy 1.0 0.0 6.10 1499 1195 A 40 LEU HD2% A 89 PRO HGx 1.0 0.0 4.64 1500 1195 A 40 LEU HD2% A 89 PRO HGy 1.0 0.0 4.64 1501 1196 A 41 SER H A 41 SER HBx 1.0 0.0 3.31 1502 1196 A 41 SER H A 41 SER HBy 1.0 0.0 3.31 1503 1197 A 42 ALA H A 41 SER HBx 1.0 0.0 3.59 1504 1197 A 42 ALA H A 41 SER HBy 1.0 0.0 3.59 1505 1198 A 44 ILE HD1% A 41 SER HBx 1.0 0.0 4.91 1506 1198 A 44 ILE HD1% A 41 SER HBy 1.0 0.0 4.91 1507 1199 A 42 ALA HB% A 43 GLN HGy 1.0 0.0 4.85 1508 1199 A 42 ALA HB% A 43 GLN HGx 1.0 0.0 4.85 1509 1200 A 43 GLN H A 43 GLN HBx 1.0 0.0 3.77 1510 1200 A 43 GLN H A 43 GLN HBy 1.0 0.0 3.77 1511 1201 A 43 GLN H A 43 GLN HGy 1.0 0.0 3.84 1512 1201 A 43 GLN H A 43 GLN HGx 1.0 0.0 3.84 1513 1202 A 43 GLN HA A 43 GLN HGy 1.0 0.0 3.62 1514 1202 A 43 GLN HA A 43 GLN HGx 1.0 0.0 3.62 1515 1203 A 43 GLN HBx A 43 GLN HE2y 1.0 0.0 4.64 1516 1203 A 43 GLN HBy A 43 GLN HE2y 1.0 0.0 4.64 1517 1203 A 43 GLN HE2x A 43 GLN HBx 1.0 0.0 4.64 1518 1203 A 43 GLN HE2x A 43 GLN HBy 1.0 0.0 4.64 1519 1204 A 44 ILE H A 43 GLN HBx 1.0 0.0 4.29 1520 1204 A 44 ILE H A 43 GLN HBy 1.0 0.0 4.29 1521 1205 A 46 GLU H A 43 GLN HBx 1.0 0.0 6.10 1522 1205 A 46 GLU H A 43 GLN HBy 1.0 0.0 6.10 1523 1206 A 44 ILE H A 43 GLN HGy 1.0 0.0 5.31 1524 1206 A 44 ILE H A 43 GLN HGx 1.0 0.0 5.31 1525 1207 A 44 ILE HG2% A 92 ILE HG1x 1.0 0.0 5.66 1526 1207 A 44 ILE HG2% A 92 ILE HG1y 1.0 0.0 5.66 1527 1208 A 89 PRO HA A 44 ILE HG1y 1.0 0.0 4.40 1528 1208 A 89 PRO HA A 44 ILE HG1x 1.0 0.0 4.40 1529 1209 A 92 ILE HG2% A 44 ILE HG1y 1.0 0.0 4.22 1530 1209 A 92 ILE HG2% A 44 ILE HG1x 1.0 0.0 4.22 1531 1210 A 93 ALA HB% A 44 ILE HG1y 1.0 0.0 5.35 1532 1210 A 93 ALA HB% A 44 ILE HG1x 1.0 0.0 5.35 1533 1211 A 44 ILE HD1% A 92 ILE HG1x 1.0 0.0 5.60 1534 1211 A 44 ILE HD1% A 92 ILE HG1y 1.0 0.0 5.60 1535 1212 A 45 GLU H A 45 GLU HBx 1.0 0.0 3.82 1536 1212 A 45 GLU H A 45 GLU HBy 1.0 0.0 3.82 1537 1213 A 45 GLU H A 46 GLU HGx 1.0 0.0 5.28 1538 1213 A 45 GLU H A 46 GLU HGy 1.0 0.0 5.28 1539 1214 A 45 GLU HA A 46 GLU HGx 1.0 0.0 5.91 1540 1214 A 45 GLU HA A 46 GLU HGy 1.0 0.0 5.91 1541 1215 A 46 GLU H A 45 GLU HBx 1.0 0.0 4.33 1542 1215 A 46 GLU H A 45 GLU HBy 1.0 0.0 4.33 1543 1216 A 46 GLU H A 46 GLU HBx 1.0 0.0 3.59 1544 1216 A 46 GLU H A 46 GLU HBy 1.0 0.0 3.59 1545 1217 A 46 GLU H A 46 GLU HGx 1.0 0.0 3.58 1546 1217 A 46 GLU H A 46 GLU HGy 1.0 0.0 3.58 1547 1218 A 47 CYS H A 46 GLU HBx 1.0 0.0 3.66 1548 1218 A 47 CYS H A 46 GLU HBy 1.0 0.0 3.66 1549 1219 A 47 CYS H A 46 GLU HGx 1.0 0.0 4.94 1550 1219 A 47 CYS H A 46 GLU HGy 1.0 0.0 4.94 1551 1220 A 47 CYS H A 47 CYS HBx 1.0 0.0 3.71 1552 1220 A 47 CYS H A 47 CYS HBy 1.0 0.0 3.71 1553 1221 A 47 CYS HA A 50 ARG HBy 1.0 0.0 4.71 1554 1221 A 47 CYS HA A 50 ARG HBx 1.0 0.0 4.71 1555 1222 A 47 CYS HA A 50 ARG HGy 1.0 0.0 4.88 1556 1222 A 47 CYS HA A 50 ARG HGx 1.0 0.0 4.88 1557 1223 A 90 GLN HA A 47 CYS HBx 1.0 0.0 4.63 1558 1223 A 90 GLN HA A 47 CYS HBy 1.0 0.0 4.63 1559 1224 A 94 VAL HG1% A 47 CYS HBx 1.0 0.0 4.68 1560 1224 A 94 VAL HG1% A 47 CYS HBy 1.0 0.0 4.68 1561 1225 A 49 PHE HD% A 50 ARG HGy 1.0 0.0 4.62 1562 1225 A 49 PHE HD% A 50 ARG HGx 1.0 0.0 4.62 1563 1226 A 50 ARG H A 50 ARG HBy 1.0 0.0 3.74 1564 1226 A 50 ARG H A 50 ARG HBx 1.0 0.0 3.74 1565 1227 A 50 ARG H A 50 ARG HGy 1.0 0.0 3.29 1566 1227 A 50 ARG H A 50 ARG HGx 1.0 0.0 3.29 1567 1228 A 50 ARG H A 53 GLY HAx 1.0 0.0 5.42 1568 1228 A 50 ARG H A 53 GLY HAy 1.0 0.0 5.42 1569 1229 A 50 ARG HA A 50 ARG HGy 1.0 0.0 3.87 1570 1229 A 50 ARG HA A 50 ARG HGx 1.0 0.0 3.87 1571 1230 A 51 ASP H A 50 ARG HBy 1.0 0.0 3.93 1572 1230 A 51 ASP H A 50 ARG HBx 1.0 0.0 3.93 1573 1231 A 51 ASP H A 50 ARG HGy 1.0 0.0 5.51 1574 1231 A 51 ASP H A 50 ARG HGx 1.0 0.0 5.51 1575 1232 A 51 ASP H A 51 ASP HBy 1.0 0.0 3.30 1576 1232 A 51 ASP H A 51 ASP HBx 1.0 0.0 3.30 1577 1233 A 52 VAL H A 51 ASP HBy 1.0 0.0 4.43 1578 1233 A 52 VAL H A 51 ASP HBx 1.0 0.0 4.43 1579 1234 A 52 VAL HG2% A 51 ASP HBy 1.0 0.0 5.06 1580 1234 A 52 VAL HG2% A 51 ASP HBx 1.0 0.0 5.06 1581 1235 A 52 VAL H A 58 LYS HEx 1.0 0.0 6.10 1582 1235 A 52 VAL H A 58 LYS HEy 1.0 0.0 6.10 1583 1236 A 52 VAL HA A 58 LYS HEx 1.0 0.0 5.18 1584 1236 A 52 VAL HA A 58 LYS HEy 1.0 0.0 5.18 1585 1237 A 54 ASN HD2y A 52 VAL HG1% 1.0 0.0 4.17 1586 1237 A 52 VAL HG1% A 54 ASN HD2x 1.0 0.0 4.17 1587 1238 A 52 VAL HG1% A 58 LYS HBy 1.0 0.0 3.91 1588 1238 A 52 VAL HG1% A 58 LYS HBx 1.0 0.0 3.91 1589 1239 A 52 VAL HG1% A 58 LYS HGx 1.0 0.0 5.03 1590 1239 A 52 VAL HG1% A 58 LYS HGy 1.0 0.0 5.03 1591 1240 A 52 VAL HG1% A 58 LYS HEx 1.0 0.0 4.87 1592 1240 A 52 VAL HG1% A 58 LYS HEy 1.0 0.0 4.87 1593 1241 A 54 ASN HD2y A 52 VAL HG2% 1.0 0.0 6.07 1594 1241 A 52 VAL HG2% A 54 ASN HD2x 1.0 0.0 6.07 1595 1242 A 52 VAL HG2% A 58 LYS HBy 1.0 0.0 5.02 1596 1242 A 52 VAL HG2% A 58 LYS HBx 1.0 0.0 5.02 1597 1243 A 52 VAL HG2% A 58 LYS HGx 1.0 0.0 6.10 1598 1243 A 52 VAL HG2% A 58 LYS HGy 1.0 0.0 6.10 1599 1244 A 52 VAL HG2% A 58 LYS HEx 1.0 0.0 6.10 1600 1244 A 52 VAL HG2% A 58 LYS HEy 1.0 0.0 6.10 1601 1245 A 54 ASN HD2y A 54 ASN HB2 1.0 0.0 3.49 1602 1245 A 54 ASN HD2x A 54 ASN HB2 1.0 0.0 3.49 1603 1245 A 54 ASN HB3 A 54 ASN HD2x 1.0 0.0 3.49 1604 1245 A 54 ASN HB3 A 54 ASN HD2y 1.0 0.0 3.49 1605 1246 A 58 LYS HA A 61 ASN HBy 1.0 0.0 4.47 1606 1246 A 58 LYS HA A 61 ASN HBx 1.0 0.0 4.47 1607 1247 A 58 LYS HBy A 58 LYS HEx 1.0 0.0 5.68 1608 1247 A 58 LYS HBx A 58 LYS HEx 1.0 0.0 5.68 1609 1247 A 58 LYS HEy A 58 LYS HBy 1.0 0.0 5.68 1610 1247 A 58 LYS HEy A 58 LYS HBx 1.0 0.0 5.68 1611 1248 A 59 TYR HD% A 60 LYS HGy 1.0 0.0 4.47 1612 1248 A 59 TYR HD% A 60 LYS HGx 1.0 0.0 4.47 1613 1249 A 60 LYS H A 60 LYS HGy 1.0 0.0 3.72 1614 1249 A 60 LYS H A 60 LYS HGx 1.0 0.0 3.72 1615 1250 A 60 LYS HE2 A 60 LYS HGy 1.0 0.0 3.61 1616 1250 A 60 LYS HE3 A 60 LYS HGy 1.0 0.0 3.61 1617 1250 A 60 LYS HGx A 60 LYS HE2 1.0 0.0 3.61 1618 1250 A 60 LYS HE3 A 60 LYS HGx 1.0 0.0 3.61 1619 1251 A 61 ASN HBy A 62 ARG HB2 1.0 0.0 5.69 1620 1251 A 61 ASN HBx A 62 ARG HB2 1.0 0.0 5.69 1621 1251 A 62 ARG HB3 A 61 ASN HBy 1.0 0.0 5.69 1622 1251 A 62 ARG HB3 A 61 ASN HBx 1.0 0.0 5.69 1623 1252 A 63 VAL HA A 66 ARG HBy 1.0 0.0 4.79 1624 1252 A 63 VAL HA A 66 ARG HBx 1.0 0.0 4.79 1625 1253 A 64 ARG H A 64 ARG HGx 1.0 0.0 3.94 1626 1253 A 64 ARG H A 64 ARG HGy 1.0 0.0 3.94 1627 1254 A 65 SER H A 64 ARG HGx 1.0 0.0 4.87 1628 1254 A 65 SER H A 64 ARG HGy 1.0 0.0 4.87 1629 1255 A 65 SER H A 65 SER HBy 1.0 0.0 3.62 1630 1255 A 65 SER H A 65 SER HBx 1.0 0.0 3.62 1631 1256 A 66 ARG H A 66 ARG HBy 1.0 0.0 3.54 1632 1256 A 66 ARG H A 66 ARG HBx 1.0 0.0 3.54 1633 1257 A 68 SER H A 71 LYS HGx 1.0 0.0 5.52 1634 1257 A 68 SER H A 71 LYS HGy 1.0 0.0 5.52 1635 1258 A 68 SER HA A 71 LYS HGx 1.0 0.0 4.41 1636 1258 A 68 SER HA A 71 LYS HGy 1.0 0.0 4.41 1637 1259 A 68 SER HB3 A 71 LYS HGx 1.0 0.0 5.90 1638 1259 A 68 SER HB2 A 71 LYS HGx 1.0 0.0 5.90 1639 1259 A 71 LYS HGy A 68 SER HB2 1.0 0.0 5.90 1640 1259 A 68 SER HB3 A 71 LYS HGy 1.0 0.0 5.90 1641 1260 A 69 ASN H A 69 ASN HBy 1.0 0.0 3.65 1642 1260 A 69 ASN H A 69 ASN HBx 1.0 0.0 3.65 1643 1261 A 69 ASN HA A 72 ASP HBy 1.0 0.0 4.49 1644 1261 A 69 ASN HA A 72 ASP HBx 1.0 0.0 4.49 1645 1262 A 78 LEU HD2% A 69 ASN HBy 1.0 0.0 3.92 1646 1262 A 78 LEU HD2% A 69 ASN HBx 1.0 0.0 3.92 1647 1263 A 70 LEU H A 71 LYS HGx 1.0 0.0 6.10 1648 1263 A 70 LEU H A 71 LYS HGy 1.0 0.0 6.10 1649 1264 A 70 LEU HD2% A 79 ARG HBy 1.0 0.0 5.40 1650 1264 A 70 LEU HD2% A 79 ARG HBx 1.0 0.0 5.40 1651 1265 A 71 LYS H A 71 LYS HGx 1.0 0.0 3.50 1652 1265 A 71 LYS H A 71 LYS HGy 1.0 0.0 3.50 1653 1266 A 71 LYS H A 72 ASP HBy 1.0 0.0 5.30 1654 1266 A 71 LYS H A 72 ASP HBx 1.0 0.0 5.30 1655 1267 A 72 ASP H A 71 LYS HGx 1.0 0.0 4.53 1656 1267 A 72 ASP H A 71 LYS HGy 1.0 0.0 4.53 1657 1268 A 72 ASP H A 72 ASP HBy 1.0 0.0 3.10 1658 1268 A 72 ASP H A 72 ASP HBx 1.0 0.0 3.10 1659 1269 A 73 ALA HB% A 72 ASP HBy 1.0 0.0 6.10 1660 1269 A 73 ALA HB% A 72 ASP HBx 1.0 0.0 6.10 1661 1270 A 74 LYS H A 72 ASP HBy 1.0 0.0 4.77 1662 1270 A 74 LYS H A 72 ASP HBx 1.0 0.0 4.77 1663 1271 A 74 LYS H A 74 LYS HGy 1.0 0.0 4.51 1664 1271 A 74 LYS H A 74 LYS HGx 1.0 0.0 4.51 1665 1272 A 74 LYS HA A 74 LYS HGy 1.0 0.0 3.28 1666 1272 A 74 LYS HA A 74 LYS HGx 1.0 0.0 3.28 1667 1273 A 74 LYS HE2 A 74 LYS HGy 1.0 0.0 3.75 1668 1273 A 74 LYS HE3 A 74 LYS HGy 1.0 0.0 3.75 1669 1273 A 74 LYS HGx A 74 LYS HE2 1.0 0.0 3.75 1670 1273 A 74 LYS HE3 A 74 LYS HGx 1.0 0.0 3.75 1671 1274 A 75 ASN H A 75 ASN HBx 1.0 0.0 3.40 1672 1274 A 75 ASN H A 75 ASN HBy 1.0 0.0 3.40 1673 1275 A 75 ASN HA A 76 PRO HGx 1.0 0.0 5.52 1674 1275 A 75 ASN HA A 76 PRO HGy 1.0 0.0 5.52 1675 1276 A 75 ASN HD2y A 75 ASN HBy 1.0 0.0 3.32 1676 1276 A 75 ASN HD2x A 75 ASN HBx 1.0 0.0 3.32 1677 1276 A 75 ASN HD2x A 75 ASN HBy 1.0 0.0 3.32 1678 1276 A 75 ASN HD2y A 75 ASN HBx 1.0 0.0 3.32 1679 1277 A 75 ASN HD2x A 78 LEU HBy 1.0 0.0 4.34 1680 1277 A 75 ASN HD2y A 78 LEU HBy 1.0 0.0 4.34 1681 1277 A 75 ASN HD2x A 78 LEU HBx 1.0 0.0 4.34 1682 1277 A 75 ASN HD2y A 78 LEU HBx 1.0 0.0 4.34 1683 1278 A 78 LEU HD1% A 75 ASN HD2x 1.0 0.0 4.76 1684 1278 A 78 LEU HD1% A 75 ASN HD2y 1.0 0.0 4.76 1685 1279 A 75 ASN HD2x A 78 LEU HD2% 1.0 0.0 5.11 1686 1279 A 78 LEU HD2% A 75 ASN HD2y 1.0 0.0 5.11 1687 1280 A 75 ASN HD2x A 101 ALA HA 1.0 0.0 4.15 1688 1280 A 101 ALA HA A 75 ASN HD2y 1.0 0.0 4.15 1689 1281 A 77 ASP H A 76 PRO HGx 1.0 0.0 3.64 1690 1281 A 77 ASP H A 76 PRO HGy 1.0 0.0 3.64 1691 1282 A 77 ASP H A 77 ASP HBx 1.0 0.0 3.21 1692 1282 A 77 ASP H A 77 ASP HBy 1.0 0.0 3.21 1693 1283 A 78 LEU H A 77 ASP HBx 1.0 0.0 4.16 1694 1283 A 78 LEU H A 77 ASP HBy 1.0 0.0 4.16 1695 1284 A 78 LEU HD1% A 77 ASP HBx 1.0 0.0 5.70 1696 1284 A 78 LEU HD1% A 77 ASP HBy 1.0 0.0 5.70 1697 1285 A 78 LEU HA A 81 ASN HBy 1.0 0.0 5.74 1698 1285 A 78 LEU HA A 81 ASN HBx 1.0 0.0 5.74 1699 1286 A 79 ARG H A 78 LEU HBx 1.0 0.0 3.73 1700 1286 A 79 ARG H A 78 LEU HBy 1.0 0.0 3.73 1701 1287 A 78 LEU HD1% A 100 MET HGy 1.0 0.0 5.57 1702 1287 A 78 LEU HD1% A 100 MET HGx 1.0 0.0 5.57 1703 1288 A 78 LEU HD2% A 100 MET HGy 1.0 0.0 4.71 1704 1288 A 78 LEU HD2% A 100 MET HGx 1.0 0.0 4.71 1705 1289 A 80 ARG H A 80 ARG HBy 1.0 0.0 3.46 1706 1289 A 80 ARG H A 80 ARG HBx 1.0 0.0 3.46 1707 1290 A 80 ARG HA A 83 LEU HBy 1.0 0.0 4.61 1708 1290 A 80 ARG HA A 83 LEU HBx 1.0 0.0 4.61 1709 1291 A 81 ASN H A 80 ARG HBy 1.0 0.0 4.37 1710 1291 A 81 ASN H A 80 ARG HBx 1.0 0.0 4.37 1711 1292 A 81 ASN H A 81 ASN HBy 1.0 0.0 3.73 1712 1292 A 81 ASN H A 81 ASN HBx 1.0 0.0 3.73 1713 1293 A 82 VAL HG2% A 81 ASN HBy 1.0 0.0 5.12 1714 1293 A 82 VAL HG2% A 81 ASN HBx 1.0 0.0 5.12 1715 1294 A 86 ALA HB% A 81 ASN HBy 1.0 0.0 4.27 1716 1294 A 86 ALA HB% A 81 ASN HBx 1.0 0.0 4.27 1717 1295 A 87 ILE H A 81 ASN HBy 1.0 0.0 4.79 1718 1295 A 87 ILE H A 81 ASN HBx 1.0 0.0 4.79 1719 1296 A 87 ILE HB A 81 ASN HBy 1.0 0.0 5.75 1720 1296 A 87 ILE HB A 81 ASN HBx 1.0 0.0 5.75 1721 1297 A 81 ASN HBy A 87 ILE HG1x 1.0 0.0 4.86 1722 1297 A 81 ASN HBx A 87 ILE HG1x 1.0 0.0 4.86 1723 1297 A 87 ILE HG1y A 81 ASN HBy 1.0 0.0 4.86 1724 1297 A 81 ASN HBx A 87 ILE HG1y 1.0 0.0 4.86 1725 1298 A 82 VAL HG1% A 85 GLY HAx 1.0 0.0 6.10 1726 1298 A 82 VAL HG1% A 85 GLY HAy 1.0 0.0 6.10 1727 1299 A 84 CYS H A 83 LEU HBy 1.0 0.0 3.94 1728 1299 A 84 CYS H A 83 LEU HBx 1.0 0.0 3.94 1729 1300 A 84 CYS H A 85 GLY HAx 1.0 0.0 6.10 1730 1300 A 84 CYS H A 85 GLY HAy 1.0 0.0 6.10 1731 1301 A 86 ALA HB% A 85 GLY HAx 1.0 0.0 5.40 1732 1301 A 86 ALA HB% A 85 GLY HAy 1.0 0.0 5.40 1733 1302 A 87 ILE H A 87 ILE HG1x 1.0 0.0 4.12 1734 1302 A 87 ILE H A 87 ILE HG1y 1.0 0.0 4.12 1735 1303 A 87 ILE HA A 87 ILE HG1x 1.0 0.0 3.55 1736 1303 A 87 ILE HA A 87 ILE HG1y 1.0 0.0 3.55 1737 1304 A 87 ILE HG2% A 91 GLN HBx 1.0 0.0 3.80 1738 1304 A 87 ILE HG2% A 91 GLN HBy 1.0 0.0 3.80 1739 1305 A 87 ILE HG2% A 91 GLN HGy 1.0 0.0 4.58 1740 1305 A 87 ILE HG2% A 91 GLN HGx 1.0 0.0 4.58 1741 1306 A 87 ILE HG2% A 91 GLN HE2y 1.0 0.0 4.80 1742 1306 A 87 ILE HG2% A 91 GLN HE2x 1.0 0.0 4.80 1743 1307 A 88 THR H A 87 ILE HG1x 1.0 0.0 5.05 1744 1307 A 88 THR H A 87 ILE HG1y 1.0 0.0 5.05 1745 1308 A 88 THR H A 89 PRO HDx 1.0 0.0 5.31 1746 1308 A 88 THR H A 89 PRO HDy 1.0 0.0 5.31 1747 1309 A 88 THR H A 91 GLN HBx 1.0 0.0 3.54 1748 1309 A 88 THR H A 91 GLN HBy 1.0 0.0 3.54 1749 1310 A 88 THR HA A 89 PRO HDx 1.0 0.0 3.69 1750 1310 A 88 THR HA A 89 PRO HDy 1.0 0.0 3.69 1751 1311 A 88 THR HB A 89 PRO HDx 1.0 0.0 5.18 1752 1311 A 88 THR HB A 89 PRO HDy 1.0 0.0 5.18 1753 1312 A 88 THR HG2% A 89 PRO HGx 1.0 0.0 5.41 1754 1312 A 88 THR HG2% A 89 PRO HGy 1.0 0.0 5.41 1755 1313 A 88 THR HG2% A 90 GLN HBx 1.0 0.0 5.93 1756 1313 A 88 THR HG2% A 90 GLN HBy 1.0 0.0 5.93 1757 1314 A 88 THR HG2% A 91 GLN HBx 1.0 0.0 5.44 1758 1314 A 88 THR HG2% A 91 GLN HBy 1.0 0.0 5.44 1759 1315 A 88 THR HG2% A 91 GLN HGy 1.0 0.0 4.65 1760 1315 A 88 THR HG2% A 91 GLN HGx 1.0 0.0 4.65 1761 1316 A 90 GLN H A 89 PRO HDx 1.0 0.0 4.28 1762 1316 A 90 GLN H A 89 PRO HDy 1.0 0.0 4.28 1763 1317 A 90 GLN H A 90 GLN HBx 1.0 0.0 2.98 1764 1317 A 90 GLN H A 90 GLN HBy 1.0 0.0 2.98 1765 1318 A 90 GLN H A 91 GLN HBx 1.0 0.0 5.54 1766 1318 A 90 GLN H A 91 GLN HBy 1.0 0.0 5.54 1767 1319 A 90 GLN HA A 90 GLN HE2y 1.0 0.0 5.86 1768 1319 A 90 GLN HE2x A 90 GLN HA 1.0 0.0 5.86 1769 1320 A 91 GLN H A 90 GLN HBx 1.0 0.0 4.04 1770 1320 A 91 GLN H A 90 GLN HBy 1.0 0.0 4.04 1771 1321 A 90 GLN HE2y A 90 GLN HGx 1.0 0.0 3.37 1772 1321 A 90 GLN HE2y A 90 GLN HGy 1.0 0.0 3.37 1773 1321 A 90 GLN HE2x A 90 GLN HGx 1.0 0.0 3.37 1774 1321 A 90 GLN HE2x A 90 GLN HGy 1.0 0.0 3.37 1775 1322 A 91 GLN H A 90 GLN HGy 1.0 0.0 5.59 1776 1322 A 91 GLN H A 90 GLN HGx 1.0 0.0 5.59 1777 1323 A 94 VAL HG1% A 90 GLN HGy 1.0 0.0 5.59 1778 1323 A 94 VAL HG1% A 90 GLN HGx 1.0 0.0 5.59 1779 1324 A 94 VAL HG2% A 90 GLN HGy 1.0 0.0 5.29 1780 1324 A 94 VAL HG2% A 90 GLN HGx 1.0 0.0 5.29 1781 1325 A 90 GLN HE2y A 91 GLN HA 1.0 0.0 6.10 1782 1325 A 90 GLN HE2x A 91 GLN HA 1.0 0.0 6.10 1783 1326 A 90 GLN HE2x A 94 VAL HG2% 1.0 0.0 4.47 1784 1326 A 94 VAL HG2% A 90 GLN HE2y 1.0 0.0 4.47 1785 1327 A 91 GLN H A 91 GLN HBx 1.0 0.0 3.04 1786 1327 A 91 GLN H A 91 GLN HBy 1.0 0.0 3.04 1787 1328 A 91 GLN H A 91 GLN HGy 1.0 0.0 4.57 1788 1328 A 91 GLN H A 91 GLN HGx 1.0 0.0 4.57 1789 1329 A 91 GLN HA A 91 GLN HGy 1.0 0.0 3.66 1790 1329 A 91 GLN HA A 91 GLN HGx 1.0 0.0 3.66 1791 1330 A 92 ILE H A 91 GLN HBx 1.0 0.0 3.84 1792 1330 A 92 ILE H A 91 GLN HBy 1.0 0.0 3.84 1793 1331 A 92 ILE HG2% A 91 GLN HBx 1.0 0.0 5.43 1794 1331 A 92 ILE HG2% A 91 GLN HBy 1.0 0.0 5.43 1795 1332 A 94 VAL HG2% A 91 GLN HBx 1.0 0.0 5.76 1796 1332 A 94 VAL HG2% A 91 GLN HBy 1.0 0.0 5.76 1797 1333 A 91 GLN HE2x A 91 GLN HGy 1.0 0.0 3.37 1798 1333 A 91 GLN HE2y A 91 GLN HGy 1.0 0.0 3.37 1799 1333 A 91 GLN HGx A 91 GLN HE2y 1.0 0.0 3.37 1800 1333 A 91 GLN HGx A 91 GLN HE2x 1.0 0.0 3.37 1801 1334 A 92 ILE H A 91 GLN HGy 1.0 0.0 6.10 1802 1334 A 92 ILE H A 91 GLN HGx 1.0 0.0 6.10 1803 1335 A 92 ILE H A 92 ILE HG1x 1.0 0.0 5.30 1804 1335 A 92 ILE H A 92 ILE HG1y 1.0 0.0 5.30 1805 1336 A 92 ILE HA A 95 MET HGy 1.0 0.0 6.10 1806 1336 A 92 ILE HA A 95 MET HGx 1.0 0.0 6.10 1807 1337 A 92 ILE HG2% A 92 ILE HG1x 1.0 0.0 3.48 1808 1337 A 92 ILE HG2% A 92 ILE HG1y 1.0 0.0 3.48 1809 1338 A 92 ILE HD1% A 95 MET HGy 1.0 0.0 4.77 1810 1338 A 92 ILE HD1% A 95 MET HGx 1.0 0.0 4.77 1811 1339 A 92 ILE HD1% A 100 MET HGy 1.0 0.0 5.50 1812 1339 A 92 ILE HD1% A 100 MET HGx 1.0 0.0 5.50 1813 1340 A 95 MET H A 95 MET HGy 1.0 0.0 4.27 1814 1340 A 95 MET H A 95 MET HGx 1.0 0.0 4.27 1815 1341 A 95 MET HA A 95 MET HGy 1.0 0.0 3.74 1816 1341 A 95 MET HA A 95 MET HGx 1.0 0.0 3.74 1817 1342 A 95 MET HB3 A 100 MET HGy 1.0 0.0 5.29 1818 1342 A 95 MET HB3 A 100 MET HGx 1.0 0.0 5.29 1819 1343 A 95 MET HE% A 95 MET HGy 1.0 0.0 3.48 1820 1343 A 95 MET HE% A 95 MET HGx 1.0 0.0 3.48 1821 1344 A 95 MET HE% A 100 MET HGy 1.0 0.0 3.58 1822 1344 A 95 MET HE% A 100 MET HGx 1.0 0.0 3.58 1823 1345 A 96 THR HG2% A 99 GLU HBx 1.0 0.0 5.25 1824 1345 A 96 THR HG2% A 99 GLU HBy 1.0 0.0 5.25 1825 1346 A 97 SER HB2 A 100 MET HBx 1.0 0.0 5.65 1826 1346 A 97 SER HB3 A 100 MET HBx 1.0 0.0 5.65 1827 1346 A 100 MET HBy A 97 SER HB2 1.0 0.0 5.65 1828 1346 A 97 SER HB3 A 100 MET HBy 1.0 0.0 5.65 1829 1347 A 98 GLU H A 99 GLU HGx 1.0 0.0 6.10 1830 1347 A 98 GLU H A 99 GLU HGy 1.0 0.0 6.10 1831 1348 A 98 GLU HA A 98 GLU HGx 1.0 0.0 3.49 1832 1348 A 98 GLU HA A 98 GLU HGy 1.0 0.0 3.49 1833 1349 A 99 GLU H A 98 GLU HBx 1.0 0.0 3.82 1834 1349 A 99 GLU H A 98 GLU HBy 1.0 0.0 3.82 1835 1350 A 101 ALA HB% A 98 GLU HGx 1.0 0.0 5.10 1836 1350 A 101 ALA HB% A 98 GLU HGy 1.0 0.0 5.10 1837 1351 A 99 GLU H A 99 GLU HBx 1.0 0.0 3.74 1838 1351 A 99 GLU H A 99 GLU HBy 1.0 0.0 3.74 1839 1352 A 99 GLU H A 99 GLU HGx 1.0 0.0 3.90 1840 1352 A 99 GLU H A 99 GLU HGy 1.0 0.0 3.90 1841 1353 A 99 GLU HA A 99 GLU HGx 1.0 0.0 3.68 1842 1353 A 99 GLU HA A 99 GLU HGy 1.0 0.0 3.68 1843 1354 A 100 MET H A 99 GLU HBx 1.0 0.0 3.72 1844 1354 A 100 MET H A 99 GLU HBy 1.0 0.0 3.72 1845 1355 A 100 MET H A 100 MET HBx 1.0 0.0 3.68 1846 1355 A 100 MET H A 100 MET HBy 1.0 0.0 3.68 1847 1356 A 100 MET HE% A 100 MET HGy 1.0 0.0 3.59 1848 1356 A 100 MET HE% A 100 MET HGx 1.0 0.0 3.59 1849 1357 A 101 ALA HB% A 102 SER HBy 1.0 0.0 5.82 1850 1357 A 101 ALA HB% A 102 SER HBx 1.0 0.0 5.82 1851 1358 A 102 SER H A 102 SER HBy 1.0 0.0 3.83 1852 1358 A 102 SER H A 102 SER HBx 1.0 0.0 3.83 1853 1359 A 104 GLU H A 102 SER HBy 1.0 0.0 4.63 1854 1359 A 104 GLU H A 102 SER HBx 1.0 0.0 4.63 1855 1360 A 102 SER HBx A 104 GLU HBx 1.0 0.0 5.51 1856 1360 A 102 SER HBy A 104 GLU HBx 1.0 0.0 5.51 1857 1360 A 104 GLU HBy A 102 SER HBy 1.0 0.0 5.51 1858 1360 A 102 SER HBx A 104 GLU HBy 1.0 0.0 5.51 1859 1361 A 105 LEU H A 102 SER HBy 1.0 0.0 5.47 1860 1361 A 105 LEU H A 102 SER HBx 1.0 0.0 5.47 1861 1362 A 105 LEU HG A 102 SER HBy 1.0 0.0 5.02 1862 1362 A 105 LEU HG A 102 SER HBx 1.0 0.0 5.02 1863 1363 A 105 LEU HD1% A 102 SER HBy 1.0 0.0 4.04 1864 1363 A 105 LEU HD1% A 102 SER HBx 1.0 0.0 4.04 1865 1364 A 103 ASP HA A 106 LYS HGx 1.0 0.0 4.53 1866 1364 A 103 ASP HA A 106 LYS HGy 1.0 0.0 4.53 1867 1365 A 104 GLU H A 103 ASP HBx 1.0 0.0 3.83 1868 1365 A 104 GLU H A 103 ASP HBy 1.0 0.0 3.83 1869 1366 A 105 LEU H A 103 ASP HBx 1.0 0.0 6.05 1870 1366 A 105 LEU H A 103 ASP HBy 1.0 0.0 6.05 1871 1367 A 104 GLU H A 104 GLU HBx 1.0 0.0 3.33 1872 1367 A 104 GLU H A 104 GLU HBy 1.0 0.0 3.33 1873 1368 A 104 GLU H A 104 GLU HGx 1.0 0.0 4.00 1874 1368 A 104 GLU H A 104 GLU HGy 1.0 0.0 4.00 1875 1369 A 104 GLU HA A 104 GLU HBx 1.0 0.0 2.72 1876 1369 A 104 GLU HA A 104 GLU HBy 1.0 0.0 2.72 1877 1370 A 104 GLU HA A 104 GLU HGx 1.0 0.0 3.34 1878 1370 A 104 GLU HA A 104 GLU HGy 1.0 0.0 3.34 1879 1371 A 105 LEU H A 104 GLU HBx 1.0 0.0 4.05 1880 1371 A 105 LEU H A 104 GLU HBy 1.0 0.0 4.05 1881 1372 A 105 LEU HD2% A 104 GLU HBx 1.0 0.0 4.94 1882 1372 A 105 LEU HD2% A 104 GLU HBy 1.0 0.0 4.94 1883 1373 A 105 LEU H A 104 GLU HGx 1.0 0.0 5.11 1884 1373 A 105 LEU H A 104 GLU HGy 1.0 0.0 5.11 1885 1374 A 105 LEU HD2% A 104 GLU HGx 1.0 0.0 5.27 1886 1374 A 105 LEU HD2% A 104 GLU HGy 1.0 0.0 5.27 1887 1375 A 105 LEU H A 105 LEU HBx 1.0 0.0 3.16 1888 1375 A 105 LEU H A 105 LEU HBy 1.0 0.0 3.16 1889 1376 A 105 LEU HA A 108 ILE HG1y 1.0 0.0 4.23 1890 1376 A 105 LEU HA A 108 ILE HG1x 1.0 0.0 4.23 1891 1377 A 105 LEU HD1% A 105 LEU HBx 1.0 0.0 2.98 1892 1377 A 105 LEU HD1% A 105 LEU HBy 1.0 0.0 2.98 1893 1378 A 106 LYS H A 105 LEU HBx 1.0 0.0 3.73 1894 1378 A 106 LYS H A 105 LEU HBy 1.0 0.0 3.73 1895 1379 A 107 GLU H A 105 LEU HBx 1.0 0.0 5.61 1896 1379 A 107 GLU H A 105 LEU HBy 1.0 0.0 5.61 1897 1380 A 105 LEU HD2% A 106 LYS HGx 1.0 0.0 5.82 1898 1380 A 105 LEU HD2% A 106 LYS HGy 1.0 0.0 5.82 1899 1381 A 106 LYS H A 106 LYS HGx 1.0 0.0 3.36 1900 1381 A 106 LYS H A 106 LYS HGy 1.0 0.0 3.36 1901 1382 A 106 LYS H A 107 GLU HGx 1.0 0.0 5.25 1902 1382 A 106 LYS H A 107 GLU HGy 1.0 0.0 5.25 1903 1383 A 106 LYS HE3 A 106 LYS HGx 1.0 0.0 3.53 1904 1383 A 106 LYS HE2 A 106 LYS HGx 1.0 0.0 3.53 1905 1383 A 106 LYS HGy A 106 LYS HE2 1.0 0.0 3.53 1906 1383 A 106 LYS HE3 A 106 LYS HGy 1.0 0.0 3.53 1907 1384 A 107 GLU H A 107 GLU HBx 1.0 0.0 3.39 1908 1384 A 107 GLU H A 107 GLU HBy 1.0 0.0 3.39 1909 1385 A 107 GLU H A 107 GLU HGx 1.0 0.0 3.97 1910 1385 A 107 GLU H A 107 GLU HGy 1.0 0.0 3.97 1911 1386 A 107 GLU H A 108 ILE HG1y 1.0 0.0 4.89 1912 1386 A 107 GLU H A 108 ILE HG1x 1.0 0.0 4.89 1913 1387 A 107 GLU HA A 107 GLU HBx 1.0 0.0 2.76 1914 1387 A 107 GLU HA A 107 GLU HBy 1.0 0.0 2.76 1915 1388 A 107 GLU HA A 107 GLU HGx 1.0 0.0 3.49 1916 1388 A 107 GLU HA A 107 GLU HGy 1.0 0.0 3.49 1917 1389 A 108 ILE H A 107 GLU HGx 1.0 0.0 4.85 1918 1389 A 108 ILE H A 107 GLU HGy 1.0 0.0 4.85 1919 1390 A 108 ILE H A 108 ILE HG1y 1.0 0.0 3.44 1920 1390 A 108 ILE H A 108 ILE HG1x 1.0 0.0 3.44 1921 1391 A 108 ILE HG2% A 108 ILE HG1y 1.0 0.0 3.24 1922 1391 A 108 ILE HG2% A 108 ILE HG1x 1.0 0.0 3.24 1923 1392 A 109 ARG H A 109 ARG HBy 1.0 0.0 3.79 1924 1392 A 109 ARG H A 109 ARG HBx 1.0 0.0 3.79 1925 1393 A 109 ARG H A 109 ARG HGx 1.0 0.0 4.83 1926 1393 A 109 ARG H A 109 ARG HGy 1.0 0.0 4.83 1927 1394 A 109 ARG HA A 109 ARG HBy 1.0 0.0 2.76 1928 1394 A 109 ARG HA A 109 ARG HBx 1.0 0.0 2.76 1929 1395 A 109 ARG HA A 109 ARG HGx 1.0 0.0 2.97 1930 1395 A 109 ARG HA A 109 ARG HGy 1.0 0.0 2.97 1931 1396 A 109 ARG HBy A 109 ARG HD2 1.0 0.0 2.92 1932 1396 A 109 ARG HBx A 109 ARG HD2 1.0 0.0 2.92 1933 1396 A 109 ARG HD3 A 109 ARG HBy 1.0 0.0 2.92 1934 1396 A 109 ARG HD3 A 109 ARG HBx 1.0 0.0 2.92 1935 1397 A 110 LYS HA A 110 LYS HBx 1.0 0.0 2.62 1936 1397 A 110 LYS HA A 110 LYS HBy 1.0 0.0 2.62 1937 1398 A 110 LYS HA A 110 LYS HGx 1.0 0.0 3.24 1938 1398 A 110 LYS HA A 110 LYS HGy 1.0 0.0 3.24 1939 1399 A 110 LYS HE3 A 110 LYS HGx 1.0 0.0 3.63 1940 1399 A 110 LYS HE2 A 110 LYS HGx 1.0 0.0 3.63 1941 1399 A 110 LYS HGy A 110 LYS HE2 1.0 0.0 3.63 1942 1399 A 110 LYS HE3 A 110 LYS HGy 1.0 0.0 3.63 1943 1400 A 112 MET H A 112 MET HGy 1.0 0.0 5.06 1944 1400 A 112 MET H A 112 MET HGx 1.0 0.0 5.06 1945 1401 A 112 MET HA A 112 MET HGy 1.0 0.0 3.77 1946 1401 A 112 MET HA A 112 MET HGx 1.0 0.0 3.77 1947 1402 A 113 THR H A 112 MET HBy 1.0 0.0 4.22 1948 1402 A 113 THR H A 112 MET HBx 1.0 0.0 4.22 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 PRO C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -128.4 -53.0 PHI 2 2 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 PRO N 1.0 87.8 172.6 PSI 3 3 A 6 PRO C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -146.0 -55.0 PHI 4 4 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 THR N 1.0 94.9 164.3 PSI 5 5 A 11 ALA C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -89.0 -46.0 PHI 6 6 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 ARG N 1.0 -60.8 -20.2 PSI 7 7 A 12 VAL C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -71.7 -51.7 PHI 8 8 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ASN N 1.0 -51.8 -30.8 PSI 9 9 A 13 ARG C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -75.8 -52.6 PHI 10 10 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 LYS N 1.0 -56.5 -24.7 PSI 11 11 A 14 ASN C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -77.4 -57.4 PHI 12 12 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 -51.6 -29.6 PSI 13 13 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -71.6 -51.6 PHI 14 14 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ARG N 1.0 -55.0 -25.4 PSI 15 15 A 16 CYS C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -77.5 -52.9 PHI 16 16 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 GLU N 1.0 -50.2 -29.0 PSI 17 17 A 17 ARG C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -76.3 -56.3 PHI 18 18 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 MET N 1.0 -58.1 -27.5 PSI 19 19 A 18 GLU C A 19 MET N A 19 MET CA A 19 MET C 1.0 -73.9 -53.9 PHI 20 20 A 19 MET N A 19 MET CA A 19 MET C A 20 LEU N 1.0 -50.5 -30.5 PSI 21 21 A 19 MET C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -74.5 -54.5 PHI 22 22 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 THR N 1.0 -51.9 -31.9 PSI 23 23 A 20 LEU C A 21 THR N A 21 THR CA A 21 THR C 1.0 -78.5 -55.7 PHI 24 24 A 21 THR N A 21 THR CA A 21 THR C A 22 ALA N 1.0 -54.2 -25.6 PSI 25 25 A 21 THR C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -70.4 -50.4 PHI 26 26 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ALA N 1.0 -55.0 -31.6 PSI 27 27 A 22 ALA C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -75.1 -55.1 PHI 28 28 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 LEU N 1.0 -49.3 -29.3 PSI 29 29 A 23 ALA C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -85.4 -54.4 PHI 30 30 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLN N 1.0 -45.0 -2.6 PSI 31 31 A 24 LEU C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -127.5 -71.5 PHI 32 32 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 THR N 1.0 -27.8 41.8 PSI 33 33 A 25 GLN C A 26 THR N A 26 THR CA A 26 THR C 1.0 -87.3 -39.3 PHI 34 34 A 26 THR N A 26 THR CA A 26 THR C A 27 ASP N 1.0 -54.8 -18.2 PSI 35 35 A 28 HIS C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -77.3 -57.3 PHI 36 36 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 HIS N 1.0 -51.1 -25.1 PSI 37 37 A 29 ASP C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -74.0 -54.0 PHI 38 38 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 VAL N 1.0 -50.5 -24.5 PSI 39 39 A 30 HIS C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -73.9 -53.9 PHI 40 40 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ALA N 1.0 -54.3 -34.3 PSI 41 41 A 31 VAL C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -85.9 -45.1 PHI 42 42 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ILE N 1.0 -51.5 -15.5 PSI 43 43 A 32 ALA C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -111.4 -74.4 PHI 44 44 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 GLY N 1.0 -42.6 33.8 PSI 45 45 A 33 ILE C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 45.2 108.0 PHI 46 46 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 ALA N 1.0 -12.3 56.5 PSI 47 47 A 34 GLY C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -139.5 -40.7 PHI 48 48 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 ASP N 1.0 112.0 166.4 PSI 49 49 A 35 ALA C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -158.7 -35.5 PHI 50 50 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 CYS N 1.0 55.6 194.0 PSI 51 51 A 36 ASP C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -72.0 -52.0 PHI 52 52 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 GLU N 1.0 -52.2 -7.0 PSI 53 53 A 37 CYS C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -73.2 -53.2 PHI 54 54 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 ARG N 1.0 -50.8 -27.4 PSI 55 55 A 38 GLU C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -82.0 -55.8 PHI 56 56 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 LEU N 1.0 -55.5 -26.9 PSI 57 57 A 39 ARG C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -73.8 -53.8 PHI 58 58 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 SER N 1.0 -57.9 -15.3 PSI 59 59 A 40 LEU C A 41 SER N A 41 SER CA A 41 SER C 1.0 -74.7 -54.7 PHI 60 60 A 41 SER N A 41 SER CA A 41 SER C A 42 ALA N 1.0 -53.8 -31.2 PSI 61 61 A 41 SER C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -70.3 -50.3 PHI 62 62 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLN N 1.0 -54.0 -32.8 PSI 63 63 A 42 ALA C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -76.9 -53.9 PHI 64 64 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 ILE N 1.0 -59.9 -26.5 PSI 65 65 A 43 GLN C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -73.7 -53.7 PHI 66 66 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 GLU N 1.0 -52.9 -32.9 PSI 67 67 A 44 ILE C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -69.4 -49.4 PHI 68 68 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLU N 1.0 -53.5 -33.1 PSI 69 69 A 45 GLU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -77.6 -47.8 PHI 70 70 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 CYS N 1.0 -55.5 -34.7 PSI 71 71 A 46 GLU C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -76.0 -56.0 PHI 72 72 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 ILE N 1.0 -49.0 -25.4 PSI 73 73 A 47 CYS C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -85.7 -51.9 PHI 74 74 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 PHE N 1.0 -52.8 -26.4 PSI 75 75 A 48 ILE C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -72.8 -52.8 PHI 76 76 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 ARG N 1.0 -55.2 -26.4 PSI 77 77 A 49 PHE C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -77.8 -52.0 PHI 78 78 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ASP N 1.0 -66.1 0.1 PSI 79 79 A 50 ARG C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -87.7 -48.1 PHI 80 80 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 VAL N 1.0 -53.6 -33.6 PSI 81 81 A 51 ASP C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -114.8 -50.6 PHI 82 82 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 GLY N 1.0 -53.1 -14.1 PSI 83 83 A 52 VAL C A 53 GLY N A 53 GLY CA A 53 GLY C 1.0 -128.7 -58.5 PHI 84 84 A 53 GLY N A 53 GLY CA A 53 GLY C A 54 ASN N 1.0 -44.6 30.0 PSI 85 85 A 57 MET C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -71.2 -51.2 PHI 86 86 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 TYR N 1.0 -50.4 -30.4 PSI 87 87 A 58 LYS C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -77.2 -54.0 PHI 88 88 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 LYS N 1.0 -54.7 -34.7 PSI 89 89 A 59 TYR C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -71.8 -51.8 PHI 90 90 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 ASN N 1.0 -53.3 -29.5 PSI 91 91 A 60 LYS C A 61 ASN N A 61 ASN CA A 61 ASN C 1.0 -76.1 -54.9 PHI 92 92 A 61 ASN N A 61 ASN CA A 61 ASN C A 62 ARG N 1.0 -49.4 -24.2 PSI 93 93 A 61 ASN C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -81.2 -53.8 PHI 94 94 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 VAL N 1.0 -51.8 -27.2 PSI 95 95 A 62 ARG C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -72.5 -52.5 PHI 96 96 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 ARG N 1.0 -56.5 -32.5 PSI 97 97 A 63 VAL C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -70.6 -50.6 PHI 98 98 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 SER N 1.0 -50.6 -30.6 PSI 99 99 A 64 ARG C A 65 SER N A 65 SER CA A 65 SER C 1.0 -74.9 -54.9 PHI 100 100 A 65 SER N A 65 SER CA A 65 SER C A 66 ARG N 1.0 -52.5 -32.5 PSI 101 101 A 65 SER C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -73.7 -53.7 PHI 102 102 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ILE N 1.0 -54.0 -33.8 PSI 103 103 A 66 ARG C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -73.3 -52.3 PHI 104 104 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 SER N 1.0 -57.1 -31.5 PSI 105 105 A 67 ILE C A 68 SER N A 68 SER CA A 68 SER C 1.0 -67.2 -46.6 PHI 106 106 A 68 SER N A 68 SER CA A 68 SER C A 69 ASN N 1.0 -50.9 -30.9 PSI 107 107 A 68 SER C A 69 ASN N A 69 ASN CA A 69 ASN C 1.0 -75.4 -55.4 PHI 108 108 A 69 ASN N A 69 ASN CA A 69 ASN C A 70 LEU N 1.0 -52.1 -25.9 PSI 109 109 A 69 ASN C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -91.6 -49.4 PHI 110 110 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 LYS N 1.0 -66.3 -1.5 PSI 111 111 A 70 LEU C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -120.2 -74.4 PHI 112 112 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ASP N 1.0 -25.3 13.5 PSI 113 113 A 71 LYS C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -96.0 -66.0 PHI 114 114 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 ALA N 1.0 68.8 151.0 PSI 115 115 A 72 ASP C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -92.0 -44.0 PHI 116 116 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 LYS N 1.0 -43.4 0.8 PSI 117 117 A 73 ALA C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -99.0 -69.4 PHI 118 118 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 ASN N 1.0 -51.5 20.7 PSI 119 119 A 74 LYS C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -184.2 -56.8 PHI 120 120 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 PRO N 1.0 38.9 158.3 PSI 121 121 A 76 PRO C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -75.5 -55.5 PHI 122 122 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 LEU N 1.0 -54.6 -17.8 PSI 123 123 A 77 ASP C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -74.8 -54.8 PHI 124 124 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 ARG N 1.0 -53.8 -33.8 PSI 125 125 A 78 LEU C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -73.4 -53.4 PHI 126 126 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 ARG N 1.0 -53.3 -30.9 PSI 127 127 A 79 ARG C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -71.0 -51.0 PHI 128 128 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 ASN N 1.0 -52.6 -31.0 PSI 129 129 A 80 ARG C A 81 ASN N A 81 ASN CA A 81 ASN C 1.0 -75.9 -55.7 PHI 130 130 A 81 ASN N A 81 ASN CA A 81 ASN C A 82 VAL N 1.0 -52.5 -26.7 PSI 131 131 A 81 ASN C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -85.4 -49.4 PHI 132 132 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 LEU N 1.0 -61.3 -22.9 PSI 133 133 A 82 VAL C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -89.3 -45.5 PHI 134 134 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 CYS N 1.0 -64.0 -2.6 PSI 135 135 A 83 LEU C A 84 CYS N A 84 CYS CA A 84 CYS C 1.0 -113.1 -81.7 PHI 136 136 A 84 CYS N A 84 CYS CA A 84 CYS C A 85 GLY N 1.0 -15.4 23.2 PSI 137 137 A 86 ALA C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -159.3 -57.9 PHI 138 138 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 THR N 1.0 120.1 173.9 PSI 139 139 A 87 ILE C A 88 THR N A 88 THR CA A 88 THR C 1.0 -85.9 -57.3 PHI 140 140 A 88 THR N A 88 THR CA A 88 THR C A 89 PRO N 1.0 125.3 173.1 PSI 141 141 A 89 PRO C A 90 GLN N A 90 GLN CA A 90 GLN C 1.0 -75.7 -49.9 PHI 142 142 A 90 GLN N A 90 GLN CA A 90 GLN C A 91 GLN N 1.0 -45.9 -25.1 PSI 143 143 A 90 GLN C A 91 GLN N A 91 GLN CA A 91 GLN C 1.0 -76.0 -54.2 PHI 144 144 A 91 GLN N A 91 GLN CA A 91 GLN C A 92 ILE N 1.0 -58.4 -14.4 PSI 145 145 A 91 GLN C A 92 ILE N A 92 ILE CA A 92 ILE C 1.0 -121.6 -34.8 PHI 146 146 A 92 ILE N A 92 ILE CA A 92 ILE C A 93 ALA N 1.0 -47.1 9.9 PSI 147 147 A 92 ILE C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -81.8 -48.4 PHI 148 148 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 VAL N 1.0 -46.4 -16.8 PSI 149 149 A 93 ALA C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -135.4 -75.2 PHI 150 150 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 MET N 1.0 -36.8 23.2 PSI 151 151 A 94 VAL C A 95 MET N A 95 MET CA A 95 MET C 1.0 -93.0 -49.8 PHI 152 152 A 95 MET N A 95 MET CA A 95 MET C A 96 THR N 1.0 128.0 164.4 PSI 153 153 A 95 MET C A 96 THR N A 96 THR CA A 96 THR C 1.0 -122.7 -61.9 PHI 154 154 A 96 THR N A 96 THR CA A 96 THR C A 97 SER N 1.0 148.6 177.4 PSI 155 155 A 96 THR C A 97 SER N A 97 SER CA A 97 SER C 1.0 -70.1 -50.1 PHI 156 156 A 97 SER N A 97 SER CA A 97 SER C A 98 GLU N 1.0 -44.7 -24.1 PSI 157 157 A 97 SER C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -75.4 -53.4 PHI 158 158 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 GLU N 1.0 -53.8 -33.8 PSI 159 159 A 98 GLU C A 99 GLU N A 99 GLU CA A 99 GLU C 1.0 -77.7 -54.5 PHI 160 160 A 99 GLU N A 99 GLU CA A 99 GLU C A 100 MET N 1.0 -51.8 -6.8 PSI 161 161 A 99 GLU C A 100 MET N A 100 MET CA A 100 MET C 1.0 -81.2 -51.0 PHI 162 162 A 100 MET N A 100 MET CA A 100 MET C A 101 ALA N 1.0 -56.2 2.8 PSI 163 163 A 100 MET C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -122.5 -62.5 PHI 164 164 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 SER N 1.0 -29.9 8.1 PSI 165 165 A 102 SER C A 103 ASP N A 103 ASP CA A 103 ASP C 1.0 -68.9 -48.9 PHI 166 166 A 103 ASP N A 103 ASP CA A 103 ASP C A 104 GLU N 1.0 -52.5 -18.1 PSI 167 167 A 103 ASP C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -79.3 -49.1 PHI 168 168 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 LEU N 1.0 -58.5 -20.7 PSI 169 169 A 104 GLU C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -80.7 -56.7 PHI 170 170 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 LYS N 1.0 -57.1 -5.1 PSI stop_ save_ save_15N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 15N _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3940.9 2 1H 8710.8 3 15N 1388.0 stop_ save_ save_13Cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Cali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 7881.8 2 1H 8710.8 3 13C 7423.9 stop_ save_ save_13Caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Caro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3940.9 2 1H 8710.8 3 13C 7423.9 stop_ save_