data_nef_c25986_2nbo 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 BMRB 25987 PDB 2NBO 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 GLY start . false 2 A 2 PRO middle . false 3 A 3 THR middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 GLY middle . false 7 A 7 GLU middle . . 8 A 8 SER middle . . 9 A 9 LYS middle . . 10 A 10 CYS middle . . 11 A 11 PRO middle . false 12 A 12 LEU middle . . 13 A 13 MET middle . . 14 A 14 VAL middle . . 15 A 15 LYS middle . . 16 A 16 VAL middle . . 17 A 17 LEU middle . . 18 A 18 ASP middle . . 19 A 19 ALA middle . . 20 A 20 VAL middle . . 21 A 21 ARG middle . . 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 PRO middle . false 25 A 25 ALA middle . . 26 A 26 ILE middle . . 27 A 27 ASN middle . . 28 A 28 VAL middle . . 29 A 29 ALA middle . . 30 A 30 VAL middle . . 31 A 31 HIS middle . . 32 A 32 VAL middle . . 33 A 33 PHE middle . . 34 A 34 ARG middle . . 35 A 35 LYS middle . . 36 A 36 ALA middle . . 37 A 37 ALA middle . . 38 A 38 ASP middle . . 39 A 39 ASP middle . . 40 A 40 THR middle . . 41 A 41 TRP middle . . 42 A 42 GLU middle . . 43 A 43 PRO middle . false 44 A 44 PHE middle . . 45 A 45 ALA middle . . 46 A 46 SER middle . . 47 A 47 GLY middle . false 48 A 48 LYS middle . . 49 A 49 THR middle . . 50 A 50 SER middle . . 51 A 51 GLU middle . . 52 A 52 SER middle . . 53 A 53 GLY middle . false 54 A 54 GLU middle . . 55 A 55 LEU middle . . 56 A 56 HIS middle . . 57 A 57 GLY middle . false 58 A 58 LEU middle . . 59 A 59 THR middle . . 60 A 60 THR middle . . 61 A 61 GLU middle . . 62 A 62 GLU middle . . 63 A 63 GLU middle . . 64 A 64 PHE middle . . 65 A 65 VAL middle . . 66 A 66 GLU middle . . 67 A 67 GLY middle . false 68 A 68 ILE middle . . 69 A 69 TYR middle . . 70 A 70 LYS middle . . 71 A 71 VAL middle . . 72 A 72 GLU middle . . 73 A 73 ILE middle . . 74 A 74 ASP middle . . 75 A 75 THR middle . . 76 A 76 LYS middle . . 77 A 77 SER middle . . 78 A 78 TYR middle . . 79 A 79 TRP middle . . 80 A 80 LYS middle . . 81 A 81 ALA middle . . 82 A 82 LEU middle . . 83 A 83 GLY middle . false 84 A 84 ILE middle . . 85 A 85 SER middle . . 86 A 86 PRO middle . false 87 A 87 MET middle . . 88 A 88 HIS middle . . 89 A 89 GLU middle . . 90 A 90 HIS middle . . 91 A 91 ALA middle . . 92 A 92 GLU middle . . 93 A 93 VAL middle . . 94 A 94 VAL middle . . 95 A 95 PHE middle . . 96 A 96 THR middle . . 97 A 97 ALA middle . . 98 A 98 ASN middle . . 99 A 99 ASP middle . . 100 A 100 SER middle . . 101 A 101 GLY middle . false 102 A 102 PRO middle . false 103 A 103 ARG middle . . 104 A 104 ARG middle . . 105 A 105 TYR middle . . 106 A 106 THR middle . . 107 A 107 ILE middle . . 108 A 108 ALA middle . . 109 A 109 ALA middle . . 110 A 110 MET middle . . 111 A 111 LEU middle . . 112 A 112 SER middle . . 113 A 113 PRO middle . false 114 A 114 TYR middle . . 115 A 115 SER middle . . 116 A 116 TYR middle . . 117 A 117 SER middle . . 118 A 118 THR middle . . 119 A 119 THR middle . . 120 A 120 ALA middle . . 121 A 121 VAL middle . . 122 A 122 VAL middle . . 123 A 123 THR middle . . 124 A 124 ASN middle . . 125 A 125 PRO middle . false 126 A 126 LYS middle . . 127 A 127 GLU 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 1 GLY HAy H 1 4.156 0.020 A 1 GLY HAx H 1 4.139 0.020 A 1 GLY CA C 13 44.572 0.400 A 2 PRO HA H 1 4.488 0.020 A 2 PRO HBy H 1 2.279 0.020 A 2 PRO HBx H 1 1.946 0.020 A 2 PRO HD2 H 1 3.623 0.020 A 2 PRO HD3 H 1 3.623 0.020 A 2 PRO HGy H 1 2.001 0.020 A 2 PRO HGx H 1 1.942 0.020 A 2 PRO CA C 13 63.218 0.400 A 2 PRO CB C 13 32.109 0.400 A 2 PRO CD C 13 49.774 0.400 A 2 PRO CG C 13 27.202 0.400 A 3 THR H H 1 8.358 0.020 A 3 THR HA H 1 4.355 0.020 A 3 THR HB H 1 4.247 0.020 A 3 THR HG2% H 1 1.194 0.020 A 3 THR CA C 13 61.854 0.400 A 3 THR CB C 13 69.722 0.400 A 3 THR CG2 C 13 21.573 0.400 A 3 THR N N 15 113.905 0.400 A 4 GLY H H 1 8.435 0.020 A 4 GLY HA2 H 1 4.028 0.020 A 4 GLY HA3 H 1 4.028 0.020 A 4 GLY CA C 13 45.359 0.400 A 4 GLY N N 15 111.151 0.400 A 5 THR H H 1 8.211 0.020 A 5 THR HA H 1 4.353 0.020 A 5 THR HB H 1 4.254 0.020 A 5 THR HG2% H 1 1.174 0.020 A 5 THR CA C 13 61.798 0.400 A 5 THR CB C 13 69.720 0.400 A 5 THR CG2 C 13 21.530 0.400 A 5 THR N N 15 112.909 0.400 A 6 GLY H H 1 8.509 0.020 A 6 GLY HAy H 1 3.948 0.020 A 6 GLY HAx H 1 3.937 0.020 A 6 GLY CA C 13 45.348 0.400 A 6 GLY N N 15 111.235 0.400 A 7 GLU H H 1 8.292 0.020 A 7 GLU HA H 1 4.280 0.020 A 7 GLU HBy H 1 2.006 0.020 A 7 GLU HBx H 1 1.884 0.020 A 7 GLU HG2 H 1 2.198 0.020 A 7 GLU HG3 H 1 2.198 0.020 A 7 GLU CA C 13 56.427 0.400 A 7 GLU CB C 13 30.339 0.400 A 7 GLU CG C 13 36.113 0.400 A 7 GLU N N 15 120.638 0.400 A 8 SER H H 1 8.438 0.020 A 8 SER HA H 1 4.402 0.020 A 8 SER HB2 H 1 3.857 0.020 A 8 SER HB3 H 1 3.857 0.020 A 8 SER CA C 13 58.433 0.400 A 8 SER CB C 13 63.445 0.400 A 8 SER N N 15 117.185 0.400 A 9 LYS H H 1 8.516 0.020 A 9 LYS HA H 1 4.349 0.020 A 9 LYS HBy H 1 1.819 0.020 A 9 LYS HBx H 1 1.695 0.020 A 9 LYS HD2 H 1 1.637 0.020 A 9 LYS HD3 H 1 1.637 0.020 A 9 LYS HE2 H 1 2.951 0.020 A 9 LYS HE3 H 1 2.951 0.020 A 9 LYS HGx H 1 1.361 0.020 A 9 LYS HGy H 1 1.418 0.020 A 9 LYS CA C 13 55.581 0.400 A 9 LYS CB C 13 32.793 0.400 A 9 LYS CD C 13 28.885 0.400 A 9 LYS CE C 13 41.865 0.400 A 9 LYS CG C 13 24.782 0.400 A 9 LYS N N 15 123.118 0.400 A 10 CYS H H 1 8.362 0.020 A 10 CYS HA H 1 4.809 0.020 A 10 CYS HB2 H 1 3.040 0.020 A 10 CYS HB3 H 1 3.040 0.020 A 10 CYS CA C 13 55.451 0.400 A 10 CYS CB C 13 27.532 0.400 A 10 CYS N N 15 122.163 0.400 A 11 PRO HA H 1 4.570 0.020 A 11 PRO HBy H 1 2.444 0.020 A 11 PRO HBx H 1 2.010 0.020 A 11 PRO HDy H 1 3.801 0.020 A 11 PRO HDx H 1 3.584 0.020 A 11 PRO HG2 H 1 1.473 0.020 A 11 PRO HG3 H 1 1.473 0.020 A 11 PRO CA C 13 64.189 0.400 A 11 PRO CD C 13 50.682 0.400 A 11 PRO CG C 13 27.632 0.400 A 12 LEU H H 1 6.969 0.020 A 12 LEU HA H 1 5.027 0.020 A 12 LEU HBy H 1 1.045 0.020 A 12 LEU HBx H 1 0.375 0.020 A 12 LEU HDx% H 1 0.458 0.020 A 12 LEU HDy% H 1 0.583 0.020 A 12 LEU HG H 1 0.984 0.020 A 12 LEU CA C 13 53.442 0.400 A 12 LEU CB C 13 44.915 0.400 A 12 LEU CD1 C 13 25.412 0.400 A 12 LEU CD2 C 13 23.921 0.400 A 12 LEU CG C 13 27.334 0.400 A 12 LEU N N 15 119.770 0.400 A 13 MET H H 1 8.542 0.020 A 13 MET HA H 1 4.594 0.020 A 13 MET HB2 H 1 1.961 0.020 A 13 MET HB3 H 1 1.961 0.020 A 13 MET HE% H 1 1.789 0.020 A 13 MET HGx H 1 2.144 0.020 A 13 MET HGy H 1 2.301 0.020 A 13 MET CA C 13 54.691 0.400 A 13 MET CB C 13 34.896 0.400 A 13 MET CE C 13 17.367 0.400 A 13 MET CG C 13 32.175 0.400 A 13 MET N N 15 126.490 0.400 A 14 VAL H H 1 7.628 0.020 A 14 VAL HA H 1 5.020 0.020 A 14 VAL HB H 1 1.692 0.020 A 14 VAL HG1% H 1 0.632 0.020 A 14 VAL HG2% H 1 0.632 0.020 A 14 VAL CA C 13 60.142 0.400 A 14 VAL CB C 13 34.829 0.400 A 14 VAL CG1 C 13 20.651 0.400 A 14 VAL CG2 C 13 20.712 0.400 A 14 VAL N N 15 122.380 0.400 A 15 LYS H H 1 9.117 0.020 A 15 LYS HA H 1 5.101 0.020 A 15 LYS HBy H 1 1.649 0.020 A 15 LYS HBx H 1 1.483 0.020 A 15 LYS HD2 H 1 1.565 0.020 A 15 LYS HD3 H 1 1.565 0.020 A 15 LYS HE2 H 1 2.811 0.020 A 15 LYS HE3 H 1 2.811 0.020 A 15 LYS HG2 H 1 1.173 0.020 A 15 LYS HG3 H 1 1.173 0.020 A 15 LYS CA C 13 54.650 0.400 A 15 LYS CB C 13 35.800 0.400 A 15 LYS CD C 13 29.582 0.400 A 15 LYS CE C 13 41.925 0.400 A 15 LYS CG C 13 24.984 0.400 A 15 LYS N N 15 127.675 0.400 A 16 VAL H H 1 9.188 0.020 A 16 VAL HA H 1 4.851 0.020 A 16 VAL HB H 1 1.946 0.020 A 16 VAL HGx% H 1 0.629 0.020 A 16 VAL HGy% H 1 0.579 0.020 A 16 VAL CA C 13 60.812 0.400 A 16 VAL CB C 13 33.081 0.400 A 16 VAL CG1 C 13 23.402 0.400 A 16 VAL CG2 C 13 21.566 0.400 A 16 VAL N N 15 124.594 0.400 A 17 LEU H H 1 8.705 0.020 A 17 LEU HA H 1 4.677 0.020 A 17 LEU HBy H 1 1.653 0.020 A 17 LEU HBx H 1 1.384 0.020 A 17 LEU HDx% H 1 0.719 0.020 A 17 LEU HDy% H 1 0.724 0.020 A 17 LEU HG H 1 1.470 0.020 A 17 LEU CA C 13 53.256 0.400 A 17 LEU CB C 13 45.509 0.400 A 17 LEU CD1 C 13 24.517 0.400 A 17 LEU CD2 C 13 24.702 0.400 A 17 LEU CG C 13 27.393 0.400 A 17 LEU N N 15 127.211 0.400 A 18 ASP H H 1 8.843 0.020 A 18 ASP HA H 1 4.608 0.020 A 18 ASP HBy H 1 2.964 0.020 A 18 ASP HBx H 1 2.344 0.020 A 18 ASP CA C 13 53.408 0.400 A 18 ASP CB C 13 41.702 0.400 A 18 ASP N N 15 122.214 0.400 A 19 ALA H H 1 9.349 0.020 A 19 ALA HA H 1 4.177 0.020 A 19 ALA HB% H 1 1.392 0.020 A 19 ALA CA C 13 54.139 0.400 A 19 ALA CB C 13 19.686 0.400 A 19 ALA N N 15 128.007 0.400 A 20 VAL H H 1 8.820 0.020 A 20 VAL HA H 1 3.902 0.020 A 20 VAL HB H 1 2.545 0.020 A 20 VAL HGx% H 1 1.028 0.020 A 20 VAL HGy% H 1 1.115 0.020 A 20 VAL CA C 13 65.139 0.400 A 20 VAL CB C 13 31.854 0.400 A 20 VAL CG1 C 13 21.259 0.400 A 20 VAL CG2 C 13 22.683 0.400 A 20 VAL N N 15 119.096 0.400 A 21 ARG H H 1 8.364 0.020 A 21 ARG HA H 1 4.275 0.020 A 21 ARG HBx H 1 1.573 0.020 A 21 ARG HBy H 1 1.928 0.020 A 21 ARG HD2 H 1 3.204 0.020 A 21 ARG HD3 H 1 3.204 0.020 A 21 ARG HGx H 1 1.658 0.020 A 21 ARG HGy H 1 1.796 0.020 A 21 ARG CA C 13 56.462 0.400 A 21 ARG CB C 13 31.692 0.400 A 21 ARG CD C 13 43.257 0.400 A 21 ARG CG C 13 27.973 0.400 A 21 ARG N N 15 117.716 0.400 A 22 GLY H H 1 8.280 0.020 A 22 GLY HAx H 1 3.819 0.020 A 22 GLY HAy H 1 3.956 0.020 A 22 GLY CA C 13 46.366 0.400 A 22 GLY N N 15 109.360 0.400 A 23 SER H H 1 7.473 0.020 A 23 SER HA H 1 4.953 0.020 A 23 SER HBy H 1 3.899 0.020 A 23 SER HBx H 1 3.694 0.020 A 23 SER CA C 13 55.468 0.400 A 23 SER CB C 13 64.484 0.400 A 23 SER N N 15 112.778 0.400 A 24 PRO HA H 1 4.335 0.020 A 24 PRO HBx H 1 1.538 0.020 A 24 PRO HBy H 1 1.876 0.020 A 24 PRO HDx H 1 3.701 0.020 A 24 PRO HDy H 1 3.819 0.020 A 24 PRO HGy H 1 2.087 0.020 A 24 PRO HGx H 1 1.861 0.020 A 24 PRO CA C 13 63.466 0.400 A 24 PRO CB C 13 32.116 0.400 A 24 PRO CD C 13 50.692 0.400 A 24 PRO CG C 13 27.883 0.400 A 25 ALA H H 1 8.147 0.020 A 25 ALA HA H 1 4.469 0.020 A 25 ALA HB% H 1 0.370 0.020 A 25 ALA CA C 13 50.528 0.400 A 25 ALA CB C 13 18.740 0.400 A 25 ALA N N 15 127.044 0.400 A 26 ILE H H 1 8.225 0.020 A 26 ILE HA H 1 3.780 0.020 A 26 ILE HB H 1 1.618 0.020 A 26 ILE HD1% H 1 0.888 0.020 A 26 ILE HG1y H 1 1.418 0.020 A 26 ILE HG1x H 1 1.080 0.020 A 26 ILE HG2% H 1 0.785 0.020 A 26 ILE CA C 13 61.821 0.400 A 26 ILE CB C 13 39.422 0.400 A 26 ILE CD1 C 13 13.909 0.400 A 26 ILE CG1 C 13 26.779 0.400 A 26 ILE CG2 C 13 17.116 0.400 A 26 ILE N N 15 126.820 0.400 A 27 ASN H H 1 7.812 0.020 A 27 ASN HA H 1 4.317 0.020 A 27 ASN HBy H 1 3.175 0.020 A 27 ASN HBx H 1 2.668 0.020 A 27 ASN HD2y H 1 7.625 0.020 A 27 ASN HD2x H 1 6.878 0.020 A 27 ASN CA C 13 54.310 0.400 A 27 ASN CB C 13 37.134 0.400 A 27 ASN N N 15 122.884 0.400 A 27 ASN ND2 N 15 112.505 0.400 A 28 VAL H H 1 8.349 0.020 A 28 VAL HA H 1 3.961 0.020 A 28 VAL HB H 1 1.664 0.020 A 28 VAL HGx% H 1 0.560 0.020 A 28 VAL HGy% H 1 0.232 0.020 A 28 VAL CA C 13 61.816 0.400 A 28 VAL CB C 13 31.789 0.400 A 28 VAL CG1 C 13 22.397 0.400 A 28 VAL CG2 C 13 23.447 0.400 A 28 VAL N N 15 119.504 0.400 A 29 ALA H H 1 9.035 0.020 A 29 ALA HA H 1 4.521 0.020 A 29 ALA HB% H 1 1.509 0.020 A 29 ALA CA C 13 52.497 0.400 A 29 ALA CB C 13 19.770 0.400 A 29 ALA N N 15 130.239 0.400 A 30 VAL H H 1 8.476 0.020 A 30 VAL HA H 1 4.591 0.020 A 30 VAL HB H 1 1.493 0.020 A 30 VAL HGx% H 1 0.596 0.020 A 30 VAL HGy% H 1 0.635 0.020 A 30 VAL CA C 13 60.378 0.400 A 30 VAL CB C 13 34.611 0.400 A 30 VAL CG1 C 13 21.466 0.400 A 30 VAL CG2 C 13 20.758 0.400 A 30 VAL N N 15 122.226 0.400 A 31 HIS H H 1 9.102 0.020 A 31 HIS HA H 1 4.898 0.020 A 31 HIS HBy H 1 3.073 0.020 A 31 HIS HBx H 1 2.947 0.020 A 31 HIS CA C 13 54.928 0.400 A 31 HIS N N 15 124.001 0.400 A 32 VAL H H 1 9.329 0.020 A 32 VAL HA H 1 5.486 0.020 A 32 VAL HB H 1 2.208 0.020 A 32 VAL HGx% H 1 1.231 0.020 A 32 VAL HGy% H 1 0.845 0.020 A 32 VAL CA C 13 59.908 0.400 A 32 VAL CB C 13 33.008 0.400 A 32 VAL CG1 C 13 22.324 0.400 A 32 VAL CG2 C 13 21.959 0.400 A 32 VAL N N 15 121.769 0.400 A 33 PHE H H 1 10.055 0.020 A 33 PHE HA H 1 5.483 0.020 A 33 PHE HBx H 1 2.645 0.020 A 33 PHE HBy H 1 3.198 0.020 A 33 PHE HD1 H 1 6.822 0.020 A 33 PHE HD2 H 1 6.822 0.020 A 33 PHE HE1 H 1 7.219 0.020 A 33 PHE HE2 H 1 7.219 0.020 A 33 PHE CA C 13 56.298 0.400 A 33 PHE CB C 13 44.546 0.400 A 33 PHE N N 15 128.713 0.400 A 34 ARG H H 1 9.604 0.020 A 34 ARG HA H 1 4.989 0.020 A 34 ARG HBx H 1 1.033 0.020 A 34 ARG HBy H 1 1.746 0.020 A 34 ARG HDx H 1 2.765 0.020 A 34 ARG HDy H 1 2.899 0.020 A 34 ARG HGx H 1 0.538 0.020 A 34 ARG HGy H 1 1.211 0.020 A 34 ARG HH11 H 1 6.924 0.020 A 34 ARG HH12 H 1 6.924 0.020 A 34 ARG CA C 13 54.128 0.400 A 34 ARG CB C 13 34.131 0.400 A 34 ARG CD C 13 43.069 0.400 A 34 ARG CG C 13 27.054 0.400 A 34 ARG N N 15 122.500 0.400 A 35 LYS H H 1 8.791 0.020 A 35 LYS HA H 1 3.757 0.020 A 35 LYS HBx H 1 0.792 0.020 A 35 LYS HBy H 1 1.339 0.020 A 35 LYS HD2 H 1 0.921 0.020 A 35 LYS HD3 H 1 0.921 0.020 A 35 LYS HE2 H 1 2.186 0.020 A 35 LYS HE3 H 1 2.186 0.020 A 35 LYS HG2 H 1 0.021 0.020 A 35 LYS HG3 H 1 0.021 0.020 A 35 LYS CA C 13 57.218 0.400 A 35 LYS CB C 13 31.923 0.400 A 35 LYS CD C 13 28.384 0.400 A 35 LYS CE C 13 41.086 0.400 A 35 LYS CG C 13 24.024 0.400 A 35 LYS N N 15 130.218 0.400 A 36 ALA H H 1 8.934 0.020 A 36 ALA HA H 1 4.460 0.020 A 36 ALA HB% H 1 1.435 0.020 A 36 ALA CA C 13 50.886 0.400 A 36 ALA CB C 13 20.611 0.400 A 36 ALA N N 15 131.407 0.400 A 37 ALA H H 1 8.562 0.020 A 37 ALA HA H 1 4.013 0.020 A 37 ALA HB% H 1 1.366 0.020 A 37 ALA CA C 13 54.294 0.400 A 37 ALA CB C 13 18.312 0.400 A 37 ALA N N 15 122.694 0.400 A 38 ASP H H 1 7.781 0.020 A 38 ASP HA H 1 4.390 0.020 A 38 ASP HBy H 1 2.920 0.020 A 38 ASP HBx H 1 2.459 0.020 A 38 ASP CA C 13 52.964 0.400 A 38 ASP CB C 13 39.431 0.400 A 38 ASP N N 15 115.615 0.400 A 39 ASP H H 1 8.004 0.020 A 39 ASP HA H 1 3.886 0.020 A 39 ASP HB2 H 1 2.749 0.020 A 39 ASP HB3 H 1 2.749 0.020 A 39 ASP CA C 13 56.058 0.400 A 39 ASP CB C 13 39.135 0.400 A 39 ASP N N 15 112.942 0.400 A 40 THR H H 1 7.364 0.020 A 40 THR HA H 1 4.165 0.020 A 40 THR HB H 1 4.100 0.020 A 40 THR HG2% H 1 1.063 0.020 A 40 THR CA C 13 61.447 0.400 A 40 THR CB C 13 70.785 0.400 A 40 THR CG2 C 13 21.478 0.400 A 40 THR N N 15 110.773 0.400 A 41 TRP H H 1 8.522 0.020 A 41 TRP HA H 1 4.829 0.020 A 41 TRP HBy H 1 2.825 0.020 A 41 TRP HBx H 1 2.696 0.020 A 41 TRP HD1 H 1 7.094 0.020 A 41 TRP HE1 H 1 9.963 0.020 A 41 TRP HH2 H 1 6.903 0.020 A 41 TRP HZ2 H 1 7.428 0.020 A 41 TRP CA C 13 55.480 0.400 A 41 TRP CB C 13 30.215 0.400 A 41 TRP N N 15 120.032 0.400 A 41 TRP NE1 N 15 128.504 0.400 A 42 GLU H H 1 9.297 0.020 A 42 GLU HA H 1 5.152 0.020 A 42 GLU HBy H 1 2.257 0.020 A 42 GLU HBx H 1 2.143 0.020 A 42 GLU HG2 H 1 2.372 0.020 A 42 GLU HG3 H 1 2.372 0.020 A 42 GLU CA C 13 53.138 0.400 A 42 GLU CB C 13 31.605 0.400 A 42 GLU CG C 13 36.064 0.400 A 42 GLU N N 15 126.770 0.400 A 43 PRO HA H 1 4.127 0.020 A 43 PRO HBy H 1 2.298 0.020 A 43 PRO HBx H 1 1.958 0.020 A 43 PRO HDx H 1 3.920 0.020 A 43 PRO HDy H 1 4.254 0.020 A 43 PRO HGy H 1 2.300 0.020 A 43 PRO HGx H 1 2.150 0.020 A 43 PRO CA C 13 64.892 0.400 A 43 PRO CB C 13 31.965 0.400 A 43 PRO CD C 13 51.267 0.400 A 43 PRO CG C 13 28.025 0.400 A 44 PHE H H 1 8.899 0.020 A 44 PHE HA H 1 4.824 0.020 A 44 PHE HBx H 1 2.572 0.020 A 44 PHE HBy H 1 3.171 0.020 A 44 PHE HD1 H 1 7.227 0.020 A 44 PHE HD2 H 1 7.227 0.020 A 44 PHE HE1 H 1 7.227 0.020 A 44 PHE HE2 H 1 7.227 0.020 A 44 PHE HZ H 1 7.227 0.020 A 44 PHE CA C 13 59.091 0.400 A 44 PHE CB C 13 42.598 0.400 A 44 PHE N N 15 124.860 0.400 A 45 ALA H H 1 7.915 0.020 A 45 ALA HA H 1 4.521 0.020 A 45 ALA HB% H 1 1.184 0.020 A 45 ALA CA C 13 52.348 0.400 A 45 ALA CB C 13 23.243 0.400 A 45 ALA N N 15 118.849 0.400 A 46 SER H H 1 8.695 0.020 A 46 SER HA H 1 5.044 0.020 A 46 SER HBy H 1 3.880 0.020 A 46 SER HBx H 1 3.606 0.020 A 46 SER CA C 13 57.632 0.400 A 46 SER CB C 13 66.031 0.400 A 46 SER N N 15 113.400 0.400 A 47 GLY H H 1 8.420 0.020 A 47 GLY HAy H 1 4.164 0.020 A 47 GLY HAx H 1 3.894 0.020 A 47 GLY CA C 13 45.700 0.400 A 47 GLY N N 15 106.478 0.400 A 48 LYS H H 1 8.654 0.020 A 48 LYS HA H 1 5.509 0.020 A 48 LYS HB2 H 1 1.488 0.020 A 48 LYS HB3 H 1 1.488 0.020 A 48 LYS HDx H 1 1.485 0.020 A 48 LYS HDy H 1 1.545 0.020 A 48 LYS HE2 H 1 2.892 0.020 A 48 LYS HE3 H 1 2.892 0.020 A 48 LYS HGx H 1 1.160 0.020 A 48 LYS HGy H 1 1.300 0.020 A 48 LYS CA C 13 53.726 0.400 A 48 LYS CB C 13 36.095 0.400 A 48 LYS CD C 13 29.254 0.400 A 48 LYS CE C 13 41.987 0.400 A 48 LYS CG C 13 24.567 0.400 A 48 LYS N N 15 120.420 0.400 A 49 THR H H 1 8.719 0.020 A 49 THR HA H 1 3.952 0.020 A 49 THR HB H 1 4.137 0.020 A 49 THR HG2% H 1 0.979 0.020 A 49 THR CA C 13 62.005 0.400 A 49 THR CB C 13 70.357 0.400 A 49 THR CG2 C 13 23.656 0.400 A 49 THR N N 15 111.703 0.400 A 50 SER H H 1 8.623 0.020 A 50 SER HA H 1 4.721 0.020 A 50 SER HBx H 1 4.177 0.020 A 50 SER HBy H 1 4.434 0.020 A 50 SER CA C 13 57.183 0.400 A 50 SER CB C 13 65.508 0.400 A 50 SER N N 15 118.190 0.400 A 51 GLU H H 1 9.087 0.020 A 51 GLU HA H 1 4.086 0.020 A 51 GLU HB2 H 1 2.114 0.020 A 51 GLU HB3 H 1 2.114 0.020 A 51 GLU HG2 H 1 2.376 0.020 A 51 GLU HG3 H 1 2.376 0.020 A 51 GLU CA C 13 59.201 0.400 A 51 GLU CB C 13 29.111 0.400 A 51 GLU CG C 13 36.345 0.400 A 51 GLU N N 15 118.670 0.400 A 52 SER H H 1 8.183 0.020 A 52 SER HA H 1 4.476 0.020 A 52 SER HBx H 1 3.809 0.020 A 52 SER HBy H 1 4.019 0.020 A 52 SER CA C 13 57.553 0.400 A 52 SER CB C 13 63.837 0.400 A 52 SER N N 15 111.608 0.400 A 53 GLY H H 1 8.555 0.020 A 53 GLY HAx H 1 3.823 0.020 A 53 GLY HAy H 1 4.149 0.020 A 53 GLY CA C 13 45.466 0.400 A 53 GLY N N 15 111.663 0.400 A 54 GLU H H 1 7.292 0.020 A 54 GLU HA H 1 5.145 0.020 A 54 GLU HB2 H 1 2.113 0.020 A 54 GLU HB3 H 1 2.113 0.020 A 54 GLU HGy H 1 2.208 0.020 A 54 GLU HGx H 1 1.942 0.020 A 54 GLU CA C 13 54.537 0.400 A 54 GLU CG C 13 36.357 0.400 A 54 GLU N N 15 115.635 0.400 A 55 LEU H H 1 8.718 0.020 A 55 LEU HA H 1 4.762 0.020 A 55 LEU HBx H 1 0.983 0.020 A 55 LEU HBy H 1 1.643 0.020 A 55 LEU HDx% H 1 0.503 0.020 A 55 LEU HDy% H 1 0.816 0.020 A 55 LEU HG H 1 1.312 0.020 A 55 LEU CA C 13 54.016 0.400 A 55 LEU CB C 13 43.968 0.400 A 55 LEU CD1 C 13 26.962 0.400 A 55 LEU CD2 C 13 22.993 0.400 A 55 LEU CG C 13 27.192 0.400 A 55 LEU N N 15 123.313 0.400 A 57 GLY H H 1 8.256 0.020 A 57 GLY HAy H 1 4.078 0.020 A 57 GLY HAx H 1 3.902 0.020 A 57 GLY CA C 13 46.703 0.400 A 57 GLY N N 15 108.255 0.400 A 58 LEU H H 1 8.436 0.020 A 58 LEU HA H 1 3.916 0.020 A 58 LEU HBx H 1 1.004 0.020 A 58 LEU HBy H 1 1.484 0.020 A 58 LEU HDx% H 1 0.546 0.020 A 58 LEU HDy% H 1 0.523 0.020 A 58 LEU HG H 1 1.321 0.020 A 58 LEU CA C 13 57.359 0.400 A 58 LEU CB C 13 43.750 0.400 A 58 LEU CD1 C 13 23.421 0.400 A 58 LEU CD2 C 13 25.092 0.400 A 58 LEU CG C 13 27.372 0.400 A 58 LEU N N 15 119.818 0.400 A 59 THR H H 1 7.353 0.020 A 59 THR HA H 1 4.656 0.020 A 59 THR HB H 1 3.840 0.020 A 59 THR HG2% H 1 0.794 0.020 A 59 THR CA C 13 59.330 0.400 A 59 THR N N 15 107.842 0.400 A 60 THR H H 1 8.575 0.020 A 60 THR HA H 1 4.896 0.020 A 60 THR HB H 1 4.595 0.020 A 60 THR HG2% H 1 1.209 0.020 A 60 THR CA C 13 59.315 0.400 A 60 THR CB C 13 72.530 0.400 A 60 THR CG2 C 13 21.611 0.400 A 60 THR N N 15 111.704 0.400 A 61 GLU H H 1 9.125 0.020 A 61 GLU HA H 1 4.070 0.020 A 61 GLU HB2 H 1 2.104 0.020 A 61 GLU HB3 H 1 2.104 0.020 A 61 GLU HG2 H 1 2.273 0.020 A 61 GLU HG3 H 1 2.273 0.020 A 61 GLU CA C 13 59.961 0.400 A 61 GLU CB C 13 29.558 0.400 A 61 GLU CG C 13 36.975 0.400 A 61 GLU N N 15 120.924 0.400 A 62 GLU H H 1 8.764 0.020 A 62 GLU HA H 1 4.023 0.020 A 62 GLU HBy H 1 2.081 0.020 A 62 GLU HBx H 1 1.952 0.020 A 62 GLU HGx H 1 2.283 0.020 A 62 GLU HGy H 1 2.382 0.020 A 62 GLU CA C 13 59.192 0.400 A 62 GLU CB C 13 29.414 0.400 A 62 GLU CG C 13 36.687 0.400 A 62 GLU N N 15 116.260 0.400 A 63 GLU H H 1 7.369 0.020 A 63 GLU HA H 1 4.309 0.020 A 63 GLU HB2 H 1 2.087 0.020 A 63 GLU HB3 H 1 2.087 0.020 A 63 GLU HG2 H 1 2.267 0.020 A 63 GLU HG3 H 1 2.267 0.020 A 63 GLU CA C 13 56.993 0.400 A 63 GLU CB C 13 30.964 0.400 A 63 GLU CG C 13 37.239 0.400 A 63 GLU N N 15 115.652 0.400 A 64 PHE H H 1 7.931 0.020 A 64 PHE HA H 1 5.066 0.020 A 64 PHE HB2 H 1 3.248 0.020 A 64 PHE HB3 H 1 3.248 0.020 A 64 PHE HD1 H 1 7.038 0.020 A 64 PHE HD2 H 1 7.038 0.020 A 64 PHE CA C 13 55.316 0.400 A 64 PHE CB C 13 37.230 0.400 A 64 PHE N N 15 123.372 0.400 A 65 VAL H H 1 7.228 0.020 A 65 VAL HA H 1 4.224 0.020 A 65 VAL HB H 1 2.357 0.020 A 65 VAL HGx% H 1 0.995 0.020 A 65 VAL HGy% H 1 0.825 0.020 A 65 VAL CA C 13 60.082 0.400 A 65 VAL CB C 13 33.193 0.400 A 65 VAL CG1 C 13 21.660 0.400 A 65 VAL CG2 C 13 17.811 0.400 A 65 VAL N N 15 115.916 0.400 A 66 GLU H H 1 8.661 0.020 A 66 GLU HA H 1 4.178 0.020 A 66 GLU HBx H 1 1.873 0.020 A 66 GLU HBy H 1 1.980 0.020 A 66 GLU HGx H 1 2.096 0.020 A 66 GLU HGy H 1 2.273 0.020 A 66 GLU CA C 13 57.081 0.400 A 66 GLU CB C 13 29.416 0.400 A 66 GLU CG C 13 36.521 0.400 A 66 GLU N N 15 121.241 0.400 A 67 GLY H H 1 8.084 0.020 A 67 GLY HAx H 1 3.715 0.020 A 67 GLY HAy H 1 3.845 0.020 A 67 GLY CA C 13 45.073 0.400 A 67 GLY N N 15 110.793 0.400 A 68 ILE H H 1 8.374 0.020 A 68 ILE HA H 1 4.416 0.020 A 68 ILE HB H 1 1.316 0.020 A 68 ILE HD1% H 1 0.705 0.020 A 68 ILE HG1y H 1 1.444 0.020 A 68 ILE HG1x H 1 1.006 0.020 A 68 ILE HG2% H 1 0.829 0.020 A 68 ILE CA C 13 60.827 0.400 A 68 ILE CB C 13 38.943 0.400 A 68 ILE CD1 C 13 13.743 0.400 A 68 ILE CG1 C 13 27.644 0.400 A 68 ILE CG2 C 13 18.094 0.400 A 68 ILE N N 15 121.208 0.400 A 69 TYR H H 1 8.793 0.020 A 69 TYR HA H 1 5.312 0.020 A 69 TYR HBx H 1 1.465 0.020 A 69 TYR HBy H 1 2.204 0.020 A 69 TYR HD1 H 1 6.329 0.020 A 69 TYR HD2 H 1 6.329 0.020 A 69 TYR HE1 H 1 6.329 0.020 A 69 TYR HE2 H 1 6.329 0.020 A 69 TYR CA C 13 56.226 0.400 A 69 TYR CB C 13 42.478 0.400 A 69 TYR N N 15 124.913 0.400 A 70 LYS H H 1 8.690 0.020 A 70 LYS HA H 1 5.212 0.020 A 70 LYS HBy H 1 0.585 0.020 A 70 LYS HBx H 1 0.372 0.020 A 70 LYS HDy H 1 0.782 0.020 A 70 LYS HDx H 1 0.504 0.020 A 70 LYS HEy H 1 1.341 0.020 A 70 LYS HEx H 1 0.915 0.020 A 70 LYS CA C 13 53.547 0.400 A 70 LYS CD C 13 28.171 0.400 A 70 LYS CE C 13 40.739 0.400 A 70 LYS N N 15 118.678 0.400 A 71 VAL H H 1 9.282 0.020 A 71 VAL HA H 1 4.683 0.020 A 71 VAL HB H 1 2.014 0.020 A 71 VAL HGx% H 1 0.719 0.020 A 71 VAL HGy% H 1 1.020 0.020 A 71 VAL CA C 13 61.231 0.400 A 71 VAL CB C 13 33.150 0.400 A 71 VAL CG1 C 13 21.375 0.400 A 71 VAL CG2 C 13 21.633 0.400 A 71 VAL N N 15 126.662 0.400 A 72 GLU H H 1 9.614 0.020 A 72 GLU HA H 1 5.093 0.020 A 72 GLU HBx H 1 1.990 0.020 A 72 GLU HBy H 1 2.224 0.020 A 72 GLU HGx H 1 2.008 0.020 A 72 GLU HGy H 1 2.129 0.020 A 72 GLU CA C 13 54.802 0.400 A 72 GLU CB C 13 33.299 0.400 A 72 GLU CG C 13 36.792 0.400 A 72 GLU N N 15 126.653 0.400 A 73 ILE H H 1 9.115 0.020 A 73 ILE HA H 1 4.559 0.020 A 73 ILE HB H 1 1.702 0.020 A 73 ILE HD1% H 1 0.484 0.020 A 73 ILE HG1y H 1 1.320 0.020 A 73 ILE HG1x H 1 0.848 0.020 A 73 ILE HG2% H 1 0.578 0.020 A 73 ILE CA C 13 60.040 0.400 A 73 ILE CB C 13 39.733 0.400 A 73 ILE CD1 C 13 13.675 0.400 A 73 ILE CG1 C 13 28.182 0.400 A 73 ILE CG2 C 13 18.862 0.400 A 73 ILE N N 15 125.137 0.400 A 74 ASP H H 1 8.725 0.020 A 74 ASP HA H 1 5.044 0.020 A 74 ASP HBy H 1 3.236 0.020 A 74 ASP HBx H 1 2.852 0.020 A 74 ASP CA C 13 53.458 0.400 A 74 ASP CB C 13 39.983 0.400 A 74 ASP N N 15 127.174 0.400 A 75 THR H H 1 8.270 0.020 A 75 THR HA H 1 4.036 0.020 A 75 THR HB H 1 4.439 0.020 A 75 THR HG2% H 1 1.141 0.020 A 75 THR CA C 13 63.047 0.400 A 75 THR CB C 13 67.587 0.400 A 75 THR CG2 C 13 23.860 0.400 A 75 THR N N 15 117.469 0.400 A 76 LYS H H 1 8.290 0.020 A 76 LYS HA H 1 4.127 0.020 A 76 LYS HB2 H 1 2.092 0.020 A 76 LYS HB3 H 1 2.092 0.020 A 76 LYS HD2 H 1 1.743 0.020 A 76 LYS HD3 H 1 1.743 0.020 A 76 LYS HE2 H 1 2.995 0.020 A 76 LYS HE3 H 1 2.995 0.020 A 76 LYS HGy H 1 1.508 0.020 A 76 LYS HGx H 1 1.476 0.020 A 76 LYS CA C 13 60.828 0.400 A 76 LYS CB C 13 32.473 0.400 A 76 LYS CD C 13 29.418 0.400 A 76 LYS CE C 13 41.819 0.400 A 76 LYS CG C 13 24.896 0.400 A 76 LYS N N 15 124.050 0.400 A 77 SER H H 1 8.532 0.020 A 77 SER HA H 1 4.157 0.020 A 77 SER HB2 H 1 3.855 0.020 A 77 SER HB3 H 1 3.855 0.020 A 77 SER CA C 13 61.497 0.400 A 77 SER CB C 13 62.204 0.400 A 77 SER N N 15 113.536 0.400 A 78 TYR H H 1 7.171 0.020 A 78 TYR HA H 1 4.012 0.020 A 78 TYR HBy H 1 2.768 0.020 A 78 TYR HBx H 1 2.418 0.020 A 78 TYR CA C 13 60.902 0.400 A 78 TYR CB C 13 38.148 0.400 A 78 TYR N N 15 122.554 0.400 A 79 TRP H H 1 7.907 0.020 A 79 TRP HA H 1 4.390 0.020 A 79 TRP HBy H 1 3.365 0.020 A 79 TRP HBx H 1 2.896 0.020 A 79 TRP CA C 13 58.847 0.400 A 79 TRP CB C 13 29.127 0.400 A 79 TRP N N 15 116.861 0.400 A 80 LYS H H 1 8.508 0.020 A 80 LYS HA H 1 4.206 0.020 A 80 LYS HBx H 1 1.846 0.020 A 80 LYS HBy H 1 2.009 0.020 A 80 LYS HD2 H 1 1.703 0.020 A 80 LYS HD3 H 1 1.703 0.020 A 80 LYS HE2 H 1 2.976 0.020 A 80 LYS HE3 H 1 2.976 0.020 A 80 LYS HGx H 1 1.515 0.020 A 80 LYS HGy H 1 1.591 0.020 A 80 LYS CA C 13 59.436 0.400 A 80 LYS CB C 13 31.840 0.400 A 80 LYS CD C 13 28.932 0.400 A 80 LYS CE C 13 41.799 0.400 A 80 LYS CG C 13 25.005 0.400 A 80 LYS N N 15 119.775 0.400 A 81 ALA H H 1 7.428 0.020 A 81 ALA HA H 1 4.172 0.020 A 81 ALA HB% H 1 1.431 0.020 A 81 ALA CA C 13 54.317 0.400 A 81 ALA CB C 13 17.818 0.400 A 81 ALA N N 15 121.451 0.400 A 82 LEU H H 1 7.232 0.020 A 82 LEU HA H 1 4.347 0.020 A 82 LEU HBy H 1 1.812 0.020 A 82 LEU HBx H 1 1.754 0.020 A 82 LEU HDx% H 1 0.711 0.020 A 82 LEU HDy% H 1 0.445 0.020 A 82 LEU HG H 1 1.352 0.020 A 82 LEU CA C 13 54.408 0.400 A 82 LEU CB C 13 42.849 0.400 A 82 LEU CD1 C 13 22.709 0.400 A 82 LEU CD2 C 13 25.403 0.400 A 82 LEU CG C 13 26.870 0.400 A 82 LEU N N 15 117.341 0.400 A 83 GLY H H 1 7.957 0.020 A 83 GLY HAx H 1 3.829 0.020 A 83 GLY HAy H 1 4.100 0.020 A 83 GLY CA C 13 45.628 0.400 A 83 GLY N N 15 107.965 0.400 A 84 ILE H H 1 7.902 0.020 A 84 ILE HA H 1 4.192 0.020 A 84 ILE HB H 1 1.795 0.020 A 84 ILE HD1% H 1 0.856 0.020 A 84 ILE HG1x H 1 1.044 0.020 A 84 ILE HG1y H 1 1.463 0.020 A 84 ILE HG2% H 1 0.403 0.020 A 84 ILE CA C 13 59.457 0.400 A 84 ILE CB C 13 41.234 0.400 A 84 ILE CD1 C 13 13.385 0.400 A 84 ILE CG1 C 13 27.731 0.400 A 84 ILE CG2 C 13 16.775 0.400 A 84 ILE N N 15 122.041 0.400 A 85 SER H H 1 8.533 0.020 A 85 SER HA H 1 4.853 0.020 A 85 SER HBy H 1 3.866 0.020 A 85 SER HBx H 1 3.719 0.020 A 85 SER CA C 13 54.511 0.400 A 85 SER CB C 13 62.906 0.400 A 85 SER N N 15 122.558 0.400 A 87 MET H H 1 7.929 0.020 A 87 MET HE% H 1 1.946 0.020 A 87 MET CE C 13 17.163 0.400 A 87 MET N N 15 118.893 0.400 A 90 HIS H H 1 8.598 0.020 A 90 HIS HA H 1 5.339 0.020 A 90 HIS HBy H 1 3.291 0.020 A 90 HIS HBx H 1 3.193 0.020 A 90 HIS CA C 13 54.925 0.400 A 90 HIS CB C 13 31.479 0.400 A 90 HIS N N 15 124.619 0.400 A 92 GLU H H 1 8.399 0.020 A 92 GLU HA H 1 5.728 0.020 A 92 GLU HBx H 1 1.734 0.020 A 92 GLU HBy H 1 1.943 0.020 A 92 GLU HGy H 1 2.042 0.020 A 92 GLU HGx H 1 1.910 0.020 A 92 GLU CA C 13 54.256 0.400 A 92 GLU CB C 13 34.060 0.400 A 92 GLU CG C 13 35.552 0.400 A 92 GLU N N 15 119.602 0.400 A 93 VAL H H 1 8.564 0.020 A 93 VAL HA H 1 4.549 0.020 A 93 VAL HB H 1 2.033 0.020 A 93 VAL HGx% H 1 0.986 0.020 A 93 VAL HGy% H 1 0.821 0.020 A 93 VAL CA C 13 60.569 0.400 A 93 VAL CB C 13 34.797 0.400 A 93 VAL CG1 C 13 21.704 0.400 A 93 VAL CG2 C 13 20.745 0.400 A 93 VAL N N 15 119.257 0.400 A 94 VAL H H 1 8.500 0.020 A 94 VAL HA H 1 5.288 0.020 A 94 VAL HB H 1 1.923 0.020 A 94 VAL HGx% H 1 1.019 0.020 A 94 VAL HGy% H 1 0.840 0.020 A 94 VAL CA C 13 60.697 0.400 A 94 VAL CB C 13 33.885 0.400 A 94 VAL CG1 C 13 21.516 0.400 A 94 VAL CG2 C 13 21.444 0.400 A 94 VAL N N 15 128.122 0.400 A 95 PHE H H 1 9.373 0.020 A 95 PHE HA H 1 5.121 0.020 A 95 PHE HBy H 1 3.082 0.020 A 95 PHE HBx H 1 3.014 0.020 A 95 PHE HD1 H 1 6.740 0.020 A 95 PHE HD2 H 1 6.740 0.020 A 95 PHE HE1 H 1 6.740 0.020 A 95 PHE HE2 H 1 6.740 0.020 A 95 PHE HZ H 1 6.740 0.020 A 95 PHE CA C 13 55.683 0.400 A 95 PHE CB C 13 41.564 0.400 A 95 PHE N N 15 124.591 0.400 A 96 THR H H 1 8.617 0.020 A 96 THR HA H 1 4.618 0.020 A 96 THR HB H 1 4.016 0.020 A 96 THR HG2% H 1 1.076 0.020 A 96 THR CA C 13 61.735 0.400 A 96 THR CB C 13 69.497 0.400 A 96 THR CG2 C 13 21.645 0.400 A 96 THR N N 15 116.637 0.400 A 97 ALA H H 1 9.113 0.020 A 97 ALA HA H 1 4.832 0.020 A 97 ALA HB% H 1 0.820 0.020 A 97 ALA CA C 13 50.062 0.400 A 97 ALA N N 15 129.910 0.400 A 99 ASP H H 1 8.864 0.020 A 99 ASP HA H 1 4.523 0.020 A 99 ASP HBy H 1 2.691 0.020 A 99 ASP HBx H 1 2.591 0.020 A 99 ASP CA C 13 54.688 0.400 A 99 ASP CB C 13 40.784 0.400 A 99 ASP N N 15 118.074 0.400 A 100 SER HA H 1 4.579 0.020 A 100 SER HB2 H 1 3.878 0.020 A 100 SER HB3 H 1 3.878 0.020 A 100 SER CA C 13 57.620 0.400 A 100 SER CB C 13 63.292 0.400 A 105 TYR HA H 1 4.895 0.020 A 105 TYR HBy H 1 2.614 0.020 A 105 TYR HBx H 1 2.253 0.020 A 105 TYR CA C 13 57.341 0.400 A 106 THR H H 1 8.975 0.020 A 106 THR HA H 1 4.916 0.020 A 106 THR HB H 1 3.813 0.020 A 106 THR HG2% H 1 0.917 0.020 A 106 THR CA C 13 61.268 0.400 A 106 THR CB C 13 70.457 0.400 A 106 THR CG2 C 13 21.021 0.400 A 106 THR N N 15 119.704 0.400 A 107 ILE H H 1 8.977 0.020 A 107 ILE HA H 1 4.807 0.020 A 107 ILE HB H 1 1.876 0.020 A 107 ILE HD1% H 1 0.349 0.020 A 107 ILE HG1y H 1 1.189 0.020 A 107 ILE HG1x H 1 1.045 0.020 A 107 ILE HG2% H 1 0.632 0.020 A 107 ILE CA C 13 58.751 0.400 A 107 ILE CB C 13 37.797 0.400 A 107 ILE CD1 C 13 13.129 0.400 A 107 ILE CG1 C 13 29.542 0.400 A 107 ILE CG2 C 13 18.499 0.400 A 107 ILE N N 15 129.015 0.400 A 108 ALA H H 1 8.800 0.020 A 108 ALA HA H 1 5.419 0.020 A 108 ALA HB% H 1 1.180 0.020 A 108 ALA CA C 13 49.712 0.400 A 108 ALA CB C 13 21.067 0.400 A 108 ALA N N 15 130.079 0.400 A 109 ALA H H 1 8.753 0.020 A 109 ALA HA H 1 5.316 0.020 A 109 ALA HB% H 1 1.106 0.020 A 109 ALA CA C 13 49.931 0.400 A 109 ALA CB C 13 22.799 0.400 A 109 ALA N N 15 124.925 0.400 A 110 MET H H 1 8.812 0.020 A 110 MET HA H 1 4.997 0.020 A 110 MET HBy H 1 2.171 0.020 A 110 MET HBx H 1 1.871 0.020 A 110 MET HE% H 1 1.967 0.020 A 110 MET HGy H 1 2.467 0.020 A 110 MET HGx H 1 2.445 0.020 A 110 MET CA C 13 53.621 0.400 A 110 MET CB C 13 32.531 0.400 A 110 MET CE C 13 17.168 0.400 A 110 MET CG C 13 32.196 0.400 A 110 MET N N 15 122.745 0.400 A 111 LEU H H 1 9.337 0.020 A 111 LEU HA H 1 4.711 0.020 A 111 LEU HDx% H 1 0.076 0.020 A 111 LEU HDy% H 1 0.545 0.020 A 111 LEU HG H 1 1.527 0.020 A 111 LEU CA C 13 54.522 0.400 A 111 LEU CD1 C 13 25.023 0.400 A 111 LEU CD2 C 13 22.563 0.400 A 111 LEU CG C 13 26.152 0.400 A 111 LEU N N 15 122.627 0.400 A 112 SER H H 1 8.286 0.020 A 112 SER HA H 1 4.380 0.020 A 112 SER HB2 H 1 3.896 0.020 A 112 SER HB3 H 1 3.896 0.020 A 112 SER CB C 13 63.333 0.400 A 112 SER N N 15 114.940 0.400 A 113 PRO HDy H 1 3.430 0.020 A 113 PRO HDx H 1 3.337 0.020 A 113 PRO CD C 13 49.258 0.400 A 114 TYR H H 1 7.580 0.020 A 114 TYR HA H 1 4.774 0.020 A 114 TYR HBy H 1 3.289 0.020 A 114 TYR HBx H 1 2.631 0.020 A 114 TYR HD1 H 1 6.948 0.020 A 114 TYR HD2 H 1 6.948 0.020 A 114 TYR HE1 H 1 6.729 0.020 A 114 TYR HE2 H 1 6.729 0.020 A 114 TYR CA C 13 55.969 0.400 A 114 TYR CB C 13 38.798 0.400 A 114 TYR N N 15 116.749 0.400 A 120 ALA H H 1 8.611 0.020 A 120 ALA HA H 1 4.722 0.020 A 120 ALA HB% H 1 1.198 0.020 A 120 ALA CA C 13 51.197 0.400 A 120 ALA N N 15 125.385 0.400 A 121 VAL H H 1 8.553 0.020 A 121 VAL N N 15 120.724 0.400 A 125 PRO HA H 1 4.369 0.020 A 125 PRO HBy H 1 2.229 0.020 A 125 PRO HBx H 1 1.926 0.020 A 125 PRO HDy H 1 3.744 0.020 A 125 PRO HDx H 1 3.692 0.020 A 125 PRO HG2 H 1 1.978 0.020 A 125 PRO HG3 H 1 1.978 0.020 A 125 PRO CA C 13 63.099 0.400 A 125 PRO CB C 13 32.105 0.400 A 125 PRO CD C 13 50.670 0.400 A 125 PRO CG C 13 27.304 0.400 A 126 LYS H H 1 8.355 0.020 A 126 LYS HA H 1 4.155 0.020 A 126 LYS HBy H 1 1.807 0.020 A 126 LYS HBx H 1 1.677 0.020 A 126 LYS HD2 H 1 1.646 0.020 A 126 LYS HD3 H 1 1.646 0.020 A 126 LYS HE2 H 1 2.958 0.020 A 126 LYS HE3 H 1 2.958 0.020 A 126 LYS HG2 H 1 1.389 0.020 A 126 LYS HG3 H 1 1.389 0.020 A 126 LYS CA C 13 56.637 0.400 A 126 LYS CB C 13 32.800 0.400 A 126 LYS CD C 13 28.993 0.400 A 126 LYS CE C 13 41.915 0.400 A 126 LYS CG C 13 24.758 0.400 A 126 LYS N N 15 121.383 0.400 A 127 GLU H H 1 7.926 0.020 A 127 GLU HA H 1 4.069 0.020 A 127 GLU HBy H 1 1.996 0.020 A 127 GLU HBx H 1 1.838 0.020 A 127 GLU HG2 H 1 2.138 0.020 A 127 GLU HG3 H 1 2.138 0.020 A 127 GLU CA C 13 57.765 0.400 A 127 GLU CB C 13 31.031 0.400 A 127 GLU CG C 13 36.498 0.400 A 127 GLU N N 15 126.868 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 GLU HA A 8 SER H 1.0 . 3.26 2 2 A 7 GLU HA A 7 GLU HG2 1.0 . 3.35 3 2 A 7 GLU HA A 7 GLU HG3 1.0 . 3.35 4 3 A 7 GLU HG3 A 7 GLU HBy 1.0 . 2.76 5 3 A 7 GLU HBy A 7 GLU HG2 1.0 . 2.76 6 4 A 79 TRP HA A 81 ALA H 1.0 . 4.01 7 5 A 12 LEU HBx A 12 LEU HDx% 1.0 . 4.19 8 6 A 13 MET HA A 13 MET HGy 1.0 . 3.92 9 7 A 16 VAL HB A 17 LEU H 1.0 . 4.50 10 8 A 17 LEU HG A 18 ASP H 1.0 . 4.98 11 9 A 19 ALA H A 19 ALA HB% 1.0 . 3.24 12 10 A 26 ILE HG2% A 26 ILE HD1% 1.0 . 2.51 13 11 A 26 ILE HG2% A 26 ILE HG1x 1.0 . 3.18 14 12 A 26 ILE HG2% A 26 ILE HG1y 1.0 . 3.31 15 13 A 26 ILE HG2% A 26 ILE H 1.0 . 3.67 16 14 A 26 ILE HA A 27 ASN HBy 1.0 . 5.10 17 15 A 27 ASN HBx A 48 LYS HE2 1.0 . 4.67 18 15 A 27 ASN HBx A 48 LYS HE3 1.0 . 4.67 19 16 A 28 VAL HGx% A 74 ASP H 1.0 . 4.12 20 17 A 28 VAL HA A 28 VAL HGy% 1.0 . 3.33 21 18 A 30 VAL HA A 30 VAL HGy% 1.0 . 3.18 22 19 A 32 VAL HA A 71 VAL HA 1.0 . 4.33 23 20 A 32 VAL HB A 44 PHE HE% 1.0 . 4.15 24 20 A 32 VAL HB A 44 PHE HD% 1.0 . 4.15 25 21 A 32 VAL HA A 32 VAL HGy% 1.0 . 3.49 26 22 A 33 PHE HA A 33 PHE HD% 1.0 . 4.25 27 23 A 34 ARG HA A 34 ARG HDy 1.0 . 4.59 28 24 A 34 ARG HDx A 34 ARG HBx 1.0 . 4.21 29 25 A 35 LYS HA A 36 ALA HB% 1.0 . 4.03 30 26 A 35 LYS HD3 A 35 LYS HBx 1.0 . 3.80 31 26 A 35 LYS HBx A 35 LYS HD2 1.0 . 3.80 32 27 A 35 LYS H A 35 LYS HD2 1.0 . 4.56 33 27 A 35 LYS HD3 A 35 LYS H 1.0 . 4.56 34 28 A 35 LYS HE2 A 39 ASP HB2 1.0 . 3.86 35 28 A 35 LYS HE3 A 39 ASP HB2 1.0 . 3.86 36 28 A 39 ASP HB3 A 35 LYS HE2 1.0 . 3.86 37 28 A 35 LYS HE3 A 39 ASP HB3 1.0 . 3.86 38 29 A 36 ALA HA A 35 LYS HG2 1.0 . 5.12 39 29 A 35 LYS HG3 A 36 ALA HA 1.0 . 5.12 40 30 A 36 ALA HA A 37 ALA HA 1.0 . 4.40 41 31 A 37 ALA HA A 39 ASP H 1.0 . 4.06 42 32 A 38 ASP HA A 39 ASP HA 1.0 . 5.16 43 33 A 37 ALA HA A 38 ASP HA 1.0 . 4.64 44 34 A 39 ASP HA A 38 ASP H 1.0 . 4.77 45 35 A 39 ASP HA A 35 LYS HG2 1.0 . 4.12 46 35 A 35 LYS HG3 A 39 ASP HA 1.0 . 4.12 47 36 A 42 GLU HA A 43 PRO HDy 1.0 . 3.48 48 37 A 42 GLU HA A 43 PRO HDx 1.0 . 3.48 49 38 A 42 GLU HA A 41 TRP HBy 1.0 . 5.34 50 39 A 42 GLU HA A 42 GLU HG2 1.0 . 3.41 51 39 A 42 GLU HA A 42 GLU HG3 1.0 . 3.41 52 40 A 43 PRO HA A 45 ALA H 1.0 . 4.30 53 41 A 33 PHE HD% A 43 PRO HA 1.0 . 4.08 54 42 A 43 PRO HA A 33 PHE HE% 1.0 . 4.31 55 43 A 33 PHE HA A 43 PRO HA 1.0 . 4.16 56 44 A 43 PRO HDx A 42 GLU HBx 1.0 . 3.74 57 45 A 33 PHE HE% A 43 PRO HGy 1.0 . 5.50 58 46 A 31 HIS HA A 46 SER HA 1.0 . 3.86 59 47 A 30 VAL HB A 47 GLY HAx 1.0 . 5.03 60 48 A 47 GLY HAx A 48 LYS HB2 1.0 . 5.31 61 48 A 47 GLY HAx A 48 LYS HB3 1.0 . 5.31 62 49 A 48 LYS HA A 48 LYS HE2 1.0 . 4.25 63 49 A 48 LYS HE3 A 48 LYS HA 1.0 . 4.25 64 50 A 48 LYS HGx A 48 LYS HE2 1.0 . 3.34 65 50 A 48 LYS HE3 A 48 LYS HGx 1.0 . 3.34 66 51 A 48 LYS H A 48 LYS HGy 1.0 . 4.06 67 52 A 48 LYS HA A 48 LYS HGx 1.0 . 4.03 68 53 A 51 GLU HA A 51 GLU HG2 1.0 . 3.34 69 53 A 51 GLU HA A 51 GLU HG3 1.0 . 3.34 70 54 A 51 GLU H A 51 GLU HG2 1.0 . 3.31 71 54 A 51 GLU HG3 A 51 GLU H 1.0 . 3.31 72 55 A 24 PRO HBy A 53 GLY HAx 1.0 . 4.18 73 56 A 24 PRO HBy A 53 GLY HAy 1.0 . 4.36 74 57 A 55 LEU HBy A 55 LEU HDx% 1.0 . 3.81 75 58 A 49 THR H A 55 LEU HDx% 1.0 . 4.71 76 59 A 47 GLY H A 55 LEU HDx% 1.0 . 5.29 77 60 A 48 LYS H A 55 LEU HG 1.0 . 4.60 78 61 A 58 LEU HA A 58 LEU HG 1.0 . 4.13 79 62 A 58 LEU HA A 58 LEU HDx% 1.0 . 4.40 80 63 A 32 VAL HGy% A 58 LEU HA 1.0 . 5.07 81 64 A 45 ALA HB% A 58 LEU HBx 1.0 . 4.26 82 65 A 58 LEU H A 58 LEU HDy% 1.0 . 4.43 83 66 A 106 THR H A 106 THR HB 1.0 . 4.17 84 67 A 61 GLU HA A 61 GLU HG2 1.0 . 4.03 85 67 A 61 GLU HA A 61 GLU HG3 1.0 . 4.03 86 68 A 61 GLU HA A 63 GLU HG2 1.0 . 4.36 87 68 A 61 GLU HA A 63 GLU HG3 1.0 . 4.36 88 69 A 61 GLU HB2 A 61 GLU HG2 1.0 . 2.82 89 69 A 61 GLU HB3 A 61 GLU HG2 1.0 . 2.82 90 69 A 61 GLU HG3 A 61 GLU HB2 1.0 . 2.82 91 69 A 61 GLU HG3 A 61 GLU HB3 1.0 . 2.82 92 70 A 60 THR H A 63 GLU HG2 1.0 . 4.22 93 70 A 63 GLU HG3 A 60 THR H 1.0 . 4.22 94 71 A 60 THR HG2% A 61 GLU HG2 1.0 . 4.35 95 71 A 61 GLU HG3 A 60 THR HG2% 1.0 . 4.35 96 72 A 65 VAL HGy% A 64 PHE HB2 1.0 . 5.26 97 72 A 64 PHE HB3 A 65 VAL HGy% 1.0 . 5.26 98 73 A 65 VAL H A 65 VAL HGx% 1.0 . 3.11 99 74 A 65 VAL HGx% A 64 PHE H 1.0 . 4.13 100 75 A 65 VAL HGx% A 66 GLU H 1.0 . 3.61 101 76 A 66 GLU HA A 66 GLU HGx 1.0 . 3.81 102 77 A 66 GLU HA A 66 GLU HGy 1.0 . 3.81 103 78 A 68 ILE HB A 68 ILE HD1% 1.0 . 3.12 104 79 A 65 VAL HGy% A 68 ILE H 1.0 . 4.28 105 80 A 68 ILE H A 68 ILE HG2% 1.0 . 4.62 106 81 A 68 ILE HG2% A 97 ALA H 1.0 . 4.51 107 82 A 35 LYS H A 68 ILE HG2% 1.0 . 3.58 108 83 A 65 VAL HGy% A 66 GLU H 1.0 . 3.43 109 84 A 68 ILE HG2% A 95 PHE H 1.0 . 4.18 110 85 A 69 TYR HA A 69 TYR HE% 1.0 . 4.25 111 85 A 69 TYR HA A 69 TYR HD% 1.0 . 4.25 112 86 A 72 GLU H A 72 GLU HGy 1.0 . 4.53 113 87 A 72 GLU H A 72 GLU HGx 1.0 . 4.53 114 88 A 73 ILE H A 72 GLU HGy 1.0 . 4.52 115 89 A 72 GLU H A 71 VAL HB 1.0 . 4.82 116 90 A 73 ILE HB A 73 ILE HD1% 1.0 . 3.42 117 91 A 73 ILE H A 73 ILE HD1% 1.0 . 3.81 118 92 A 73 ILE HD1% A 109 ALA H 1.0 . 4.88 119 93 A 73 ILE HD1% A 93 VAL H 1.0 . 4.51 120 94 A 72 GLU H A 73 ILE HD1% 1.0 . 5.32 121 95 A 73 ILE HD1% A 92 GLU HA 1.0 . 4.52 122 96 A 73 ILE HD1% A 72 GLU HA 1.0 . 4.21 123 97 A 73 ILE HD1% A 109 ALA HB% 1.0 . 2.92 124 98 A 75 THR H A 74 ASP HBx 1.0 . 4.71 125 99 A 75 THR HA A 75 THR HG2% 1.0 . 3.71 126 100 A 76 LYS HA A 76 LYS HD2 1.0 . 3.95 127 100 A 76 LYS HA A 76 LYS HD3 1.0 . 3.95 128 101 A 76 LYS HA A 76 LYS HGx 1.0 . 3.73 129 102 A 76 LYS H A 76 LYS HD2 1.0 . 4.31 130 102 A 76 LYS HD3 A 76 LYS H 1.0 . 4.31 131 103 A 76 LYS HB2 A 76 LYS HE2 1.0 . 3.59 132 103 A 76 LYS HE3 A 76 LYS HB2 1.0 . 3.59 133 103 A 76 LYS HB3 A 76 LYS HE3 1.0 . 3.59 134 103 A 76 LYS HB3 A 76 LYS HE2 1.0 . 3.59 135 104 A 76 LYS H A 76 LYS HE2 1.0 . 4.87 136 104 A 76 LYS H A 76 LYS HE3 1.0 . 4.87 137 105 A 76 LYS HGx A 76 LYS H 1.0 . 4.33 138 106 A 76 LYS H A 76 LYS HGy 1.0 . 4.24 139 107 A 76 LYS HGy A 77 SER H 1.0 . 4.64 140 108 A 80 LYS H A 80 LYS HGx 1.0 . 4.84 141 109 A 76 LYS HGy A 76 LYS HD2 1.0 . 2.99 142 109 A 76 LYS HD3 A 76 LYS HGy 1.0 . 2.99 143 110 A 39 ASP H A 40 THR HA 1.0 . 5.42 144 111 A 80 LYS H A 78 TYR HA 1.0 . 4.56 145 112 A 80 LYS HA A 80 LYS HD2 1.0 . 3.72 146 112 A 80 LYS HA A 80 LYS HD3 1.0 . 3.72 147 113 A 84 ILE HA A 84 ILE HG1y 1.0 . 3.93 148 114 A 80 LYS HA A 80 LYS HGy 1.0 . 3.95 149 115 A 80 LYS HGx A 80 LYS HD2 1.0 . 2.78 150 115 A 80 LYS HGx A 80 LYS HD3 1.0 . 2.78 151 116 A 80 LYS H A 80 LYS HD2 1.0 . 4.39 152 116 A 80 LYS H A 80 LYS HD3 1.0 . 4.39 153 117 A 80 LYS HBx A 80 LYS HE2 1.0 . 3.24 154 117 A 80 LYS HBx A 80 LYS HE3 1.0 . 3.24 155 118 A 76 LYS HGy A 76 LYS HE2 1.0 . 3.22 156 118 A 76 LYS HE3 A 76 LYS HGy 1.0 . 3.22 157 119 A 80 LYS HGx A 80 LYS HE2 1.0 . 3.43 158 119 A 80 LYS HGx A 80 LYS HE3 1.0 . 3.43 159 120 A 77 SER H A 76 LYS HE2 1.0 . 4.98 160 120 A 76 LYS HE3 A 77 SER H 1.0 . 4.98 161 121 A 81 ALA HA A 83 GLY H 1.0 . 4.21 162 122 A 78 TYR HA A 81 ALA HB% 1.0 . 3.59 163 123 A 80 LYS H A 81 ALA HB% 1.0 . 4.06 164 124 A 82 LEU HBx A 82 LEU HDx% 1.0 . 3.06 165 125 A 82 LEU HDx% A 82 LEU HA 1.0 . 2.76 166 126 A 82 LEU HDx% A 82 LEU H 1.0 . 3.43 167 127 A 79 TRP HA A 82 LEU HDy% 1.0 . 3.69 168 128 A 82 LEU H A 82 LEU HDy% 1.0 . 3.51 169 129 A 82 LEU HBx A 82 LEU HDy% 1.0 . 3.86 170 130 A 82 LEU HA A 82 LEU HG 1.0 . 4.04 171 131 A 82 LEU H A 82 LEU HG 1.0 . 4.29 172 132 A 84 ILE HB A 84 ILE HD1% 1.0 . 4.11 173 133 A 84 ILE HD1% A 84 ILE HG2% 1.0 . 2.86 174 134 A 84 ILE HD1% A 82 LEU HBy 1.0 . 3.25 175 135 A 84 ILE HG1y A 82 LEU HBy 1.0 . 4.29 176 136 A 82 LEU HDy% A 84 ILE HG1x 1.0 . 4.34 177 137 A 84 ILE HG2% A 84 ILE HG1x 1.0 . 3.45 178 138 A 84 ILE HG1y A 84 ILE HG2% 1.0 . 3.66 179 139 A 84 ILE HA A 84 ILE HG2% 1.0 . 3.50 180 140 A 87 MET HE% A 114 TYR HD% 1.0 . 3.71 181 141 A 87 MET HE% A 114 TYR HBy 1.0 . 4.44 182 142 A 10 CYS H A 9 LYS HBy 1.0 . 4.08 183 143 A 126 LYS HBy A 127 GLU H 1.0 . 4.34 184 144 A 127 GLU H A 126 LYS HBx 1.0 . 4.39 185 145 A 126 LYS H A 126 LYS HG2 1.0 . 4.83 186 145 A 126 LYS H A 126 LYS HG3 1.0 . 4.83 187 146 A 73 ILE HG2% A 90 HIS HA 1.0 . 5.08 188 147 A 75 THR H A 90 HIS HA 1.0 . 4.53 189 148 A 73 ILE H A 92 GLU HA 1.0 . 4.46 190 149 A 93 VAL H A 93 VAL HB 1.0 . 4.02 191 150 A 93 VAL HGx% A 107 ILE HG2% 1.0 . 3.41 192 151 A 93 VAL HGx% A 94 VAL H 1.0 . 3.33 193 152 A 93 VAL H A 93 VAL HGy% 1.0 . 3.54 194 153 A 93 VAL HA A 94 VAL HB 1.0 . 4.94 195 154 A 94 VAL HA A 94 VAL HGx% 1.0 . 3.28 196 155 A 94 VAL HA A 94 VAL HGy% 1.0 . 3.20 197 156 A 94 VAL H A 94 VAL HGy% 1.0 . 3.40 198 157 A 96 THR HA A 96 THR HG2% 1.0 . 3.27 199 158 A 96 THR HG2% A 96 THR H 1.0 . 3.54 200 159 A 32 VAL HGy% A 31 HIS H 1.0 . 4.44 201 160 A 106 THR HG2% A 107 ILE H 1.0 . 3.55 202 161 A 107 ILE HG2% A 107 ILE HG1x 1.0 . 3.69 203 162 A 107 ILE HG2% A 107 ILE HD1% 1.0 . 3.64 204 163 A 107 ILE HG2% A 107 ILE HG1y 1.0 . 3.69 205 164 A 107 ILE HG2% A 107 ILE HA 1.0 . 3.90 206 165 A 107 ILE HG2% A 14 VAL HA 1.0 . 4.20 207 166 A 108 ALA H A 108 ALA HB% 1.0 . 3.29 208 167 A 20 VAL H A 20 VAL HGy% 1.0 . 3.17 209 168 A 19 ALA H A 110 MET HE% 1.0 . 3.96 210 169 A 17 LEU H A 110 MET HE% 1.0 . 5.20 211 170 A 110 MET HBx A 111 LEU HDx% 1.0 . 5.25 212 171 A 111 LEU HDx% A 111 LEU HA 1.0 . 4.47 213 172 A 17 LEU H A 111 LEU HDx% 1.0 . 4.66 214 173 A 109 ALA HB% A 111 LEU HDy% 1.0 . 3.64 215 174 A 111 LEU HDy% A 17 LEU HA 1.0 . 3.83 216 175 A 112 SER H A 112 SER HB2 1.0 . 3.97 217 175 A 112 SER H A 112 SER HB3 1.0 . 3.97 218 176 A 7 GLU H A 8 SER HA 1.0 . 5.13 219 177 A 127 GLU HA A 126 LYS HD2 1.0 . 4.39 220 177 A 126 LYS HD3 A 127 GLU HA 1.0 . 4.39 221 178 A 33 PHE HD% A 42 GLU HBy 1.0 . 5.01 222 179 A 13 MET HGy A 15 LYS HBy 1.0 . 4.62 223 180 A 2 PRO HBx A 3 THR HG2% 1.0 . 4.62 224 181 A 33 PHE HE% A 43 PRO HBx 1.0 . 4.46 225 182 A 3 THR HG2% A 4 GLY H 1.0 . 4.00 226 183 A 7 GLU HG3 A 7 GLU HBx 1.0 . 2.76 227 183 A 7 GLU HBx A 7 GLU HG2 1.0 . 2.76 228 184 A 8 SER H A 7 GLU HG2 1.0 . 4.41 229 184 A 8 SER H A 7 GLU HG3 1.0 . 4.41 230 185 A 7 GLU H A 7 GLU HG2 1.0 . 4.30 231 185 A 7 GLU HG3 A 7 GLU H 1.0 . 4.30 232 186 A 8 SER HA A 7 GLU HG2 1.0 . 4.75 233 186 A 7 GLU HG3 A 8 SER HA 1.0 . 4.75 234 187 A 79 TRP HA A 84 ILE HD1% 1.0 . 4.52 235 188 A 9 LYS HA A 9 LYS HD2 1.0 . 3.90 236 188 A 9 LYS HA A 9 LYS HD3 1.0 . 3.90 237 189 A 9 LYS HD2 A 9 LYS HGy 1.0 . 2.90 238 189 A 9 LYS HD3 A 9 LYS HGy 1.0 . 2.90 239 190 A 126 LYS HD2 A 126 LYS HG2 1.0 . 2.88 240 190 A 126 LYS HD3 A 126 LYS HG2 1.0 . 2.88 241 190 A 126 LYS HG3 A 126 LYS HD2 1.0 . 2.88 242 190 A 126 LYS HG3 A 126 LYS HD3 1.0 . 2.88 243 191 A 126 LYS HE3 A 126 LYS HG2 1.0 . 3.10 244 191 A 126 LYS HE2 A 126 LYS HG2 1.0 . 3.10 245 191 A 126 LYS HG3 A 126 LYS HE2 1.0 . 3.10 246 191 A 126 LYS HG3 A 126 LYS HE3 1.0 . 3.10 247 192 A 125 PRO HBy A 126 LYS HE2 1.0 . 3.96 248 192 A 126 LYS HE3 A 125 PRO HBy 1.0 . 3.96 249 193 A 10 CYS H A 9 LYS HGy 1.0 . 4.60 250 194 A 10 CYS H A 9 LYS HGx 1.0 . 4.60 251 195 A 9 LYS HD3 A 9 LYS HGx 1.0 . 2.90 252 195 A 9 LYS HGx A 9 LYS HD2 1.0 . 2.90 253 196 A 82 LEU HDy% A 79 TRP H 1.0 . 4.98 254 197 A 81 ALA H A 82 LEU HDy% 1.0 . 3.54 255 198 A 78 TYR HA A 82 LEU HDy% 1.0 . 4.41 256 199 A 12 LEU HBy A 12 LEU HDx% 1.0 . 4.19 257 200 A 12 LEU HDy% A 12 LEU HBx 1.0 . 4.19 258 201 A 111 LEU HDy% A 110 MET HGy 1.0 . 4.74 259 202 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.06 260 203 A 12 LEU H A 12 LEU HDy% 1.0 . 4.62 261 204 A 12 LEU HA A 13 MET HB2 1.0 . 4.79 262 204 A 12 LEU HA A 13 MET HB3 1.0 . 4.79 263 205 A 14 VAL HA A 13 MET HB2 1.0 . 5.22 264 205 A 14 VAL HA A 13 MET HB3 1.0 . 5.22 265 206 A 106 THR HA A 13 MET HB2 1.0 . 4.46 266 206 A 13 MET HB3 A 106 THR HA 1.0 . 4.46 267 207 A 14 VAL HG2% A 13 MET HB2 1.0 . 5.37 268 207 A 13 MET HB3 A 14 VAL HG2% 1.0 . 5.37 269 208 A 13 MET HE% A 54 GLU HB2 1.0 . 3.12 270 208 A 13 MET HE% A 54 GLU HB3 1.0 . 3.12 271 209 A 45 ALA H A 43 PRO HBy 1.0 . 5.08 272 210 A 13 MET HGx A 13 MET HB2 1.0 . 2.92 273 210 A 13 MET HB3 A 13 MET HGx 1.0 . 2.92 274 211 A 12 LEU HA A 13 MET HGx 1.0 . 4.48 275 212 A 13 MET HA A 13 MET HGx 1.0 . 4.06 276 213 A 13 MET HGx A 14 VAL H 1.0 . 5.16 277 214 A 13 MET HGx A 13 MET H 1.0 . 4.15 278 215 A 14 VAL HG1% A 15 LYS H 1.0 . 3.14 279 216 A 107 ILE H A 14 VAL HG1% 1.0 . 4.77 280 217 A 107 ILE H A 14 VAL HG2% 1.0 . 5.01 281 218 A 30 VAL HGy% A 49 THR H 1.0 . 3.38 282 219 A 14 VAL HG2% A 14 VAL H 1.0 . 3.79 283 220 A 30 VAL HGy% A 48 LYS HA 1.0 . 3.98 284 221 A 14 VAL HA A 14 VAL HG1% 1.0 . 3.40 285 222 A 14 VAL HA A 14 VAL HG2% 1.0 . 3.61 286 223 A 30 VAL HGy% A 49 THR HB 1.0 . 5.16 287 224 A 14 VAL HG1% A 49 THR HA 1.0 . 4.74 288 225 A 30 VAL HGy% A 49 THR HA 1.0 . 5.04 289 226 A 14 VAL HG1% A 107 ILE HB 1.0 . 3.18 290 227 A 14 VAL HG2% A 107 ILE HB 1.0 . 3.49 291 228 A 30 VAL HGy% A 73 ILE HG1y 1.0 . 3.14 292 229 A 14 VAL HG1% A 49 THR HG2% 1.0 . 3.05 293 230 A 30 VAL HGy% A 49 THR HG2% 1.0 . 3.18 294 231 A 107 ILE HD1% A 14 VAL HG2% 1.0 . 3.21 295 232 A 72 GLU HA A 92 GLU HBy 1.0 . 3.68 296 233 A 13 MET HE% A 15 LYS HA 1.0 . 4.14 297 234 A 109 ALA HB% A 15 LYS HA 1.0 . 5.50 298 235 A 49 THR HG2% A 15 LYS HA 1.0 . 4.40 299 236 A 15 LYS HBy A 13 MET HE% 1.0 . 3.96 300 237 A 27 ASN HBy A 48 LYS HDy 1.0 . 5.46 301 238 A 14 VAL HG1% A 15 LYS HD2 1.0 . 5.50 302 238 A 14 VAL HG1% A 15 LYS HD3 1.0 . 5.50 303 239 A 16 VAL HGy% A 15 LYS HD2 1.0 . 5.50 304 239 A 15 LYS HD3 A 16 VAL HGy% 1.0 . 5.50 305 240 A 28 VAL HA A 48 LYS HGx 1.0 . 4.37 306 241 A 15 LYS HA A 15 LYS HG2 1.0 . 3.88 307 241 A 15 LYS HA A 15 LYS HG3 1.0 . 3.88 308 242 A 48 LYS HGx A 29 ALA H 1.0 . 4.49 309 243 A 16 VAL HB A 53 GLY HAx 1.0 . 4.61 310 244 A 16 VAL HGx% A 17 LEU HBx 1.0 . 4.98 311 245 A 109 ALA HB% A 16 VAL HGx% 1.0 . 3.25 312 246 A 16 VAL HGx% A 25 ALA HB% 1.0 . 3.03 313 247 A 28 VAL HGy% A 16 VAL HGx% 1.0 . 3.34 314 248 A 111 LEU HDx% A 16 VAL HGx% 1.0 . 3.29 315 249 A 17 LEU HA A 16 VAL HGx% 1.0 . 4.03 316 250 A 16 VAL HGx% A 24 PRO HA 1.0 . 5.29 317 251 A 28 VAL HA A 16 VAL HGx% 1.0 . 5.05 318 252 A 16 VAL HGx% A 16 VAL H 1.0 . 4.03 319 253 A 17 LEU H A 16 VAL HGx% 1.0 . 3.58 320 254 A 16 VAL HGx% A 28 VAL H 1.0 . 5.50 321 255 A 16 VAL HGx% A 25 ALA H 1.0 . 4.38 322 256 A 73 ILE HG1y A 30 VAL HGx% 1.0 . 3.41 323 257 A 30 VAL HGx% A 73 ILE HG1x 1.0 . 3.23 324 258 A 111 LEU HDy% A 25 ALA HB% 1.0 . 3.23 325 259 A 30 VAL HGx% A 31 HIS HBy 1.0 . 4.97 326 260 A 30 VAL HGx% A 31 HIS HBx 1.0 . 5.36 327 261 A 111 LEU HDy% A 110 MET HGx 1.0 . 5.50 328 262 A 32 VAL HB A 30 VAL HGx% 1.0 . 5.46 329 263 A 15 LYS HA A 16 VAL HGy% 1.0 . 4.21 330 264 A 30 VAL HA A 30 VAL HGx% 1.0 . 3.23 331 265 A 53 GLY HAx A 16 VAL HGy% 1.0 . 5.30 332 266 A 30 VAL HGx% A 32 VAL H 1.0 . 4.02 333 267 A 17 LEU H A 111 LEU HDy% 1.0 . 3.48 334 268 A 30 VAL HGx% A 30 VAL H 1.0 . 3.94 335 269 A 110 MET HE% A 17 LEU HBx 1.0 . 5.42 336 270 A 17 LEU H A 17 LEU HDx% 1.0 . 4.69 337 271 A 17 LEU H A 17 LEU HDy% 1.0 . 4.69 338 272 A 110 MET HA A 17 LEU HDx% 1.0 . 4.15 339 273 A 110 MET HA A 17 LEU HDy% 1.0 . 4.15 340 274 A 17 LEU HA A 17 LEU HDx% 1.0 . 4.13 341 275 A 110 MET HBx A 17 LEU HDx% 1.0 . 4.60 342 276 A 110 MET HBx A 17 LEU HDy% 1.0 . 4.60 343 277 A 110 MET HBy A 17 LEU HDx% 1.0 . 5.50 344 278 A 110 MET HBy A 17 LEU HDy% 1.0 . 5.50 345 279 A 19 ALA HA A 22 GLY HAx 1.0 . 4.11 346 280 A 110 MET HBx A 19 ALA HA 1.0 . 4.15 347 281 A 19 ALA HB% A 110 MET HBx 1.0 . 3.41 348 282 A 19 ALA HB% A 22 GLY HAx 1.0 . 5.00 349 283 A 19 ALA HB% A 18 ASP HA 1.0 . 4.05 350 284 A 19 ALA HB% A 21 ARG H 1.0 . 5.25 351 285 A 19 ALA HB% A 112 SER H 1.0 . 4.25 352 286 A 21 ARG HBx A 23 SER HBy 1.0 . 4.52 353 287 A 19 ALA HB% A 20 VAL HA 1.0 . 4.13 354 288 A 20 VAL HA A 22 GLY H 1.0 . 4.88 355 289 A 73 ILE HB A 109 ALA HB% 1.0 . 4.34 356 290 A 84 ILE HG2% A 20 VAL HGy% 1.0 . 4.07 357 291 A 20 VAL HGy% A 20 VAL HA 1.0 . 3.10 358 292 A 109 ALA HB% A 108 ALA HA 1.0 . 4.17 359 293 A 92 GLU HA A 109 ALA HB% 1.0 . 5.25 360 294 A 19 ALA H A 20 VAL HGy% 1.0 . 4.22 361 295 A 95 PHE H A 94 VAL HGx% 1.0 . 3.33 362 296 A 20 VAL H A 20 VAL HGx% 1.0 . 3.98 363 297 A 21 ARG H A 20 VAL HGx% 1.0 . 3.55 364 298 A 20 VAL HA A 20 VAL HGx% 1.0 . 2.97 365 299 A 20 VAL HGx% A 21 ARG HGx 1.0 . 4.03 366 300 A 32 VAL HGx% A 71 VAL HGy% 1.0 . 2.78 367 301 A 14 VAL HG2% A 71 VAL HGy% 1.0 . 3.13 368 302 A 107 ILE HG2% A 71 VAL HGy% 1.0 . 3.51 369 303 A 2 PRO HBx A 3 THR H 1.0 . 4.35 370 304 A 23 SER H A 21 ARG HD2 1.0 . 4.55 371 304 A 21 ARG HD3 A 23 SER H 1.0 . 4.55 372 305 A 20 VAL HA A 21 ARG HD2 1.0 . 4.71 373 305 A 20 VAL HA A 21 ARG HD3 1.0 . 4.71 374 306 A 22 GLY HAx A 21 ARG HD2 1.0 . 5.50 375 306 A 22 GLY HAx A 21 ARG HD3 1.0 . 5.50 376 307 A 21 ARG HD2 A 23 SER HBx 1.0 . 5.50 377 307 A 21 ARG HD3 A 23 SER HBx 1.0 . 5.50 378 308 A 84 ILE HD1% A 21 ARG HD2 1.0 . 5.12 379 308 A 84 ILE HD1% A 21 ARG HD3 1.0 . 5.12 380 309 A 21 ARG HA A 21 ARG HGy 1.0 . 4.01 381 310 A 22 GLY H A 21 ARG HGy 1.0 . 4.58 382 311 A 21 ARG H A 21 ARG HGx 1.0 . 4.34 383 312 A 21 ARG HGx A 20 VAL HB 1.0 . 4.56 384 313 A 24 PRO HGy A 23 SER HBy 1.0 . 4.69 385 314 A 24 PRO HGy A 23 SER HBx 1.0 . 4.69 386 315 A 51 GLU HA A 24 PRO HA 1.0 . 5.50 387 316 A 17 LEU H A 24 PRO HA 1.0 . 4.77 388 317 A 24 PRO HA A 17 LEU HBy 1.0 . 4.00 389 318 A 110 MET HBx A 18 ASP HA 1.0 . 5.04 390 319 A 81 ALA H A 80 LYS HBx 1.0 . 4.39 391 320 A 24 PRO HBx A 52 SER H 1.0 . 4.61 392 321 A 24 PRO HBx A 52 SER HA 1.0 . 4.55 393 322 A 53 GLY HAx A 24 PRO HBx 1.0 . 4.64 394 323 A 23 SER HA A 24 PRO HDx 1.0 . 3.45 395 324 A 17 LEU HBy A 24 PRO HDy 1.0 . 4.53 396 325 A 25 ALA HB% A 28 VAL HB 1.0 . 4.01 397 326 A 25 ALA HB% A 111 LEU HG 1.0 . 4.36 398 327 A 17 LEU HA A 25 ALA HB% 1.0 . 4.12 399 328 A 25 ALA HB% A 24 PRO HA 1.0 . 4.15 400 329 A 49 THR HB A 25 ALA HB% 1.0 . 4.82 401 330 A 26 ILE HA A 51 GLU HA 1.0 . 4.32 402 331 A 26 ILE HA A 48 LYS HB2 1.0 . 5.50 403 331 A 26 ILE HA A 48 LYS HB3 1.0 . 5.50 404 332 A 26 ILE HA A 49 THR HG2% 1.0 . 5.50 405 333 A 25 ALA HA A 26 ILE HB 1.0 . 4.48 406 334 A 26 ILE HD1% A 26 ILE H 1.0 . 4.48 407 335 A 26 ILE HD1% A 50 SER H 1.0 . 4.97 408 336 A 26 ILE HD1% A 53 GLY H 1.0 . 5.19 409 337 A 26 ILE HD1% A 51 GLU HA 1.0 . 3.19 410 338 A 26 ILE HD1% A 51 GLU HB2 1.0 . 3.32 411 338 A 26 ILE HD1% A 51 GLU HB3 1.0 . 3.32 412 339 A 26 ILE HG1x A 51 GLU HB2 1.0 . 4.53 413 339 A 26 ILE HG1x A 51 GLU HB3 1.0 . 4.53 414 340 A 26 ILE HG2% A 25 ALA HB% 1.0 . 5.22 415 341 A 26 ILE HG2% A 27 ASN HA 1.0 . 3.69 416 342 A 26 ILE HG2% A 27 ASN HBx 1.0 . 3.78 417 343 A 26 ILE HG2% A 50 SER HA 1.0 . 4.08 418 344 A 26 ILE HG2% A 27 ASN H 1.0 . 3.45 419 345 A 26 ILE HG2% A 28 VAL H 1.0 . 4.68 420 346 A 26 ILE HG2% A 51 GLU H 1.0 . 4.56 421 347 A 82 LEU HA A 84 ILE HD1% 1.0 . 4.43 422 348 A 82 LEU HA A 82 LEU HDy% 1.0 . 3.73 423 349 A 27 ASN HBy A 28 VAL H 1.0 . 4.60 424 350 A 28 VAL HB A 27 ASN HA 1.0 . 5.37 425 351 A 10 CYS H A 9 LYS HBx 1.0 . 4.08 426 352 A 28 VAL HGx% A 74 ASP HBy 1.0 . 5.11 427 353 A 28 VAL HGx% A 78 TYR HBy 1.0 . 4.95 428 354 A 28 VAL HGx% A 78 TYR HBx 1.0 . 4.95 429 355 A 28 VAL HGx% A 73 ILE HA 1.0 . 3.75 430 356 A 111 LEU HDy% A 24 PRO HA 1.0 . 5.11 431 357 A 28 VAL HGx% A 49 THR HB 1.0 . 5.13 432 358 A 28 VAL HGx% A 75 THR H 1.0 . 5.46 433 359 A 26 ILE H A 28 VAL HGy% 1.0 . 4.22 434 360 A 28 VAL HGy% A 48 LYS HA 1.0 . 5.38 435 361 A 28 VAL HGy% A 25 ALA HA 1.0 . 4.09 436 362 A 28 VAL HGy% A 27 ASN HA 1.0 . 4.51 437 363 A 28 VAL HGy% A 49 THR HB 1.0 . 4.40 438 364 A 28 VAL HGy% A 78 TYR HBy 1.0 . 4.51 439 365 A 16 VAL HB A 28 VAL HGy% 1.0 . 4.04 440 366 A 28 VAL HGy% A 49 THR HG2% 1.0 . 3.65 441 367 A 28 VAL HGy% A 25 ALA HB% 1.0 . 2.97 442 368 A 48 LYS HGx A 29 ALA HB% 1.0 . 3.93 443 369 A 28 VAL HGx% A 29 ALA HB% 1.0 . 4.25 444 370 A 28 VAL HGy% A 29 ALA HB% 1.0 . 5.32 445 371 A 48 LYS HGy A 29 ALA HB% 1.0 . 3.74 446 372 A 29 ALA HB% A 74 ASP HA 1.0 . 4.59 447 373 A 28 VAL HA A 29 ALA HB% 1.0 . 3.98 448 374 A 48 LYS HA A 29 ALA HB% 1.0 . 4.79 449 375 A 74 ASP H A 29 ALA HB% 1.0 . 3.57 450 376 A 30 VAL H A 29 ALA HB% 1.0 . 3.43 451 377 A 30 VAL HB A 29 ALA HA 1.0 . 4.75 452 378 A 32 VAL HB A 71 VAL HGy% 1.0 . 4.50 453 379 A 32 VAL HB A 14 VAL HG2% 1.0 . 5.50 454 380 A 30 VAL HGx% A 72 GLU HBy 1.0 . 5.50 455 381 A 32 VAL HGx% A 44 PHE HBy 1.0 . 3.86 456 382 A 32 VAL HGx% A 44 PHE HBx 1.0 . 3.79 457 383 A 32 VAL HGx% A 71 VAL HGx% 1.0 . 3.80 458 384 A 107 ILE HD1% A 32 VAL HGx% 1.0 . 4.21 459 385 A 32 VAL HA A 32 VAL HGx% 1.0 . 3.34 460 386 A 33 PHE HD% A 32 VAL HGx% 1.0 . 4.64 461 387 A 32 VAL HGx% A 44 PHE HE% 1.0 . 3.33 462 387 A 44 PHE HD% A 32 VAL HGx% 1.0 . 3.33 463 388 A 45 ALA H A 32 VAL HGx% 1.0 . 3.90 464 389 A 32 VAL HGx% A 44 PHE H 1.0 . 4.56 465 390 A 32 VAL H A 32 VAL HGx% 1.0 . 3.87 466 391 A 32 VAL HGx% A 34 ARG H 1.0 . 5.50 467 392 A 72 GLU H A 32 VAL HGx% 1.0 . 5.50 468 393 A 32 VAL HGy% A 45 ALA H 1.0 . 4.13 469 394 A 32 VAL HGy% A 44 PHE HE% 1.0 . 3.87 470 394 A 44 PHE HD% A 32 VAL HGy% 1.0 . 3.87 471 395 A 32 VAL HGy% A 46 SER HA 1.0 . 3.83 472 396 A 32 VAL HGy% A 44 PHE HBy 1.0 . 4.33 473 397 A 32 VAL HGy% A 31 HIS HBx 1.0 . 5.40 474 398 A 32 VAL HGy% A 58 LEU HBy 1.0 . 3.60 475 399 A 32 VAL HGy% A 30 VAL HGx% 1.0 . 2.71 476 400 A 33 PHE HA A 33 PHE HE% 1.0 . 4.99 477 401 A 33 PHE HA A 44 PHE HE% 1.0 . 5.31 478 401 A 44 PHE HD% A 33 PHE HA 1.0 . 5.31 479 402 A 34 ARG HDx A 65 VAL HGy% 1.0 . 4.70 480 403 A 34 ARG HA A 34 ARG HDx 1.0 . 4.56 481 404 A 35 LYS H A 34 ARG HGy 1.0 . 4.34 482 405 A 35 LYS HD3 A 35 LYS HBy 1.0 . 3.80 483 405 A 35 LYS HBy A 35 LYS HD2 1.0 . 3.80 484 406 A 68 ILE HD1% A 35 LYS HD2 1.0 . 3.86 485 406 A 35 LYS HD3 A 68 ILE HD1% 1.0 . 3.86 486 407 A 34 ARG HH1% A 35 LYS HD2 1.0 . 4.42 487 407 A 35 LYS HD3 A 34 ARG HH1% 1.0 . 4.42 488 408 A 34 ARG HH1% A 35 LYS HE2 1.0 . 5.03 489 408 A 35 LYS HE3 A 34 ARG HH1% 1.0 . 5.03 490 409 A 35 LYS HA A 35 LYS HG2 1.0 . 4.10 491 409 A 35 LYS HA A 35 LYS HG3 1.0 . 4.10 492 410 A 36 ALA HB% A 42 GLU H 1.0 . 3.95 493 411 A 36 ALA HB% A 37 ALA H 1.0 . 3.05 494 412 A 36 ALA HB% A 38 ASP H 1.0 . 3.31 495 413 A 36 ALA HB% A 42 GLU HA 1.0 . 4.21 496 414 A 36 ALA HB% A 40 THR HB 1.0 . 3.89 497 415 A 36 ALA HB% A 37 ALA HA 1.0 . 4.49 498 416 A 36 ALA HB% A 39 ASP HB2 1.0 . 5.50 499 416 A 36 ALA HB% A 39 ASP HB3 1.0 . 5.50 500 417 A 36 ALA HB% A 42 GLU HBx 1.0 . 4.14 501 418 A 36 ALA HB% A 35 LYS HD2 1.0 . 4.25 502 418 A 36 ALA HB% A 35 LYS HD3 1.0 . 4.25 503 419 A 36 ALA HB% A 35 LYS HG2 1.0 . 4.73 504 419 A 36 ALA HB% A 35 LYS HG3 1.0 . 4.73 505 420 A 39 ASP H A 37 ALA HB% 1.0 . 4.60 506 421 A 36 ALA HA A 37 ALA HB% 1.0 . 4.19 507 422 A 38 ASP HA A 37 ALA HB% 1.0 . 4.09 508 423 A 35 LYS HG3 A 39 ASP HB2 1.0 . 5.37 509 423 A 35 LYS HG2 A 39 ASP HB2 1.0 . 5.37 510 423 A 39 ASP HB3 A 35 LYS HG2 1.0 . 5.37 511 423 A 39 ASP HB3 A 35 LYS HG3 1.0 . 5.37 512 424 A 38 ASP HA A 39 ASP HB2 1.0 . 4.51 513 424 A 39 ASP HB3 A 38 ASP HA 1.0 . 4.51 514 425 A 40 THR H A 39 ASP HB2 1.0 . 3.98 515 425 A 39 ASP HB3 A 40 THR H 1.0 . 3.98 516 426 A 77 SER HA A 76 LYS HE2 1.0 . 4.77 517 426 A 76 LYS HE3 A 77 SER HA 1.0 . 4.77 518 427 A 76 LYS HGx A 77 SER HA 1.0 . 5.09 519 428 A 40 THR HA A 35 LYS HD2 1.0 . 4.53 520 428 A 35 LYS HD3 A 40 THR HA 1.0 . 4.53 521 429 A 40 THR HB A 41 TRP H 1.0 . 3.41 522 430 A 40 THR HG2% A 39 ASP HB2 1.0 . 3.76 523 430 A 39 ASP HB3 A 40 THR HG2% 1.0 . 3.76 524 431 A 96 THR HG2% A 99 ASP HBx 1.0 . 3.62 525 432 A 40 THR HG2% A 38 ASP HBx 1.0 . 4.32 526 433 A 96 THR HG2% A 95 PHE HE% 1.0 . 4.85 527 433 A 96 THR HG2% A 95 PHE HD% 1.0 . 4.85 528 434 A 97 ALA H A 96 THR HG2% 1.0 . 3.97 529 435 A 33 PHE HD% A 42 GLU HA 1.0 . 4.37 530 436 A 42 GLU HBy A 42 GLU HG2 1.0 . 2.97 531 436 A 42 GLU HG3 A 42 GLU HBy 1.0 . 2.97 532 437 A 34 ARG HDx A 42 GLU HBy 1.0 . 4.28 533 438 A 43 PRO HDx A 42 GLU HBy 1.0 . 3.96 534 439 A 42 GLU HBy A 41 TRP HA 1.0 . 4.58 535 440 A 43 PRO HDy A 42 GLU HBx 1.0 . 4.06 536 441 A 34 ARG HDx A 42 GLU HBx 1.0 . 4.97 537 442 A 26 ILE HG1x A 51 GLU HG2 1.0 . 3.72 538 442 A 26 ILE HG1x A 51 GLU HG3 1.0 . 3.72 539 443 A 41 TRP HA A 42 GLU HG2 1.0 . 4.41 540 443 A 42 GLU HG3 A 41 TRP HA 1.0 . 4.41 541 444 A 43 PRO HDy A 42 GLU HG2 1.0 . 4.53 542 444 A 43 PRO HDy A 42 GLU HG3 1.0 . 4.53 543 445 A 43 PRO HDx A 42 GLU HG2 1.0 . 3.86 544 445 A 43 PRO HDx A 42 GLU HG3 1.0 . 3.86 545 446 A 35 LYS HA A 42 GLU HG2 1.0 . 5.28 546 446 A 35 LYS HA A 42 GLU HG3 1.0 . 5.28 547 447 A 37 ALA H A 42 GLU HG2 1.0 . 4.39 548 447 A 42 GLU HG3 A 37 ALA H 1.0 . 4.39 549 448 A 52 SER H A 51 GLU HG2 1.0 . 3.75 550 448 A 51 GLU HG3 A 52 SER H 1.0 . 3.75 551 449 A 34 ARG H A 42 GLU HG2 1.0 . 5.11 552 449 A 42 GLU HG3 A 34 ARG H 1.0 . 5.11 553 450 A 43 PRO HA A 33 PHE HBy 1.0 . 4.40 554 451 A 43 PRO HA A 44 PHE HBx 1.0 . 4.80 555 452 A 33 PHE HA A 43 PRO HBy 1.0 . 5.50 556 453 A 127 GLU H A 125 PRO HBx 1.0 . 4.33 557 454 A 33 PHE HD% A 43 PRO HBx 1.0 . 4.69 558 455 A 33 PHE HD% A 43 PRO HDy 1.0 . 4.55 559 456 A 33 PHE HE% A 43 PRO HGx 1.0 . 5.00 560 457 A 42 GLU HA A 43 PRO HGx 1.0 . 4.52 561 458 A 33 PHE HA A 44 PHE HBy 1.0 . 4.38 562 459 A 33 PHE HA A 44 PHE HBx 1.0 . 4.55 563 460 A 32 VAL HGy% A 45 ALA HB% 1.0 . 3.14 564 461 A 45 ALA HB% A 44 PHE HBx 1.0 . 4.89 565 462 A 32 VAL HB A 45 ALA HB% 1.0 . 3.52 566 463 A 45 ALA HB% A 44 PHE HBy 1.0 . 4.03 567 464 A 58 LEU HA A 45 ALA HB% 1.0 . 3.57 568 465 A 46 SER HA A 45 ALA HB% 1.0 . 4.04 569 466 A 45 ALA HB% A 44 PHE HE% 1.0 . 3.42 570 466 A 44 PHE HD% A 45 ALA HB% 1.0 . 3.42 571 467 A 45 ALA HB% A 44 PHE H 1.0 . 4.62 572 468 A 45 ALA HB% A 32 VAL H 1.0 . 4.04 573 469 A 46 SER HBy A 58 LEU HDx% 1.0 . 5.50 574 470 A 46 SER HBy A 45 ALA HA 1.0 . 4.90 575 471 A 47 GLY H A 46 SER HBy 1.0 . 3.86 576 472 A 45 ALA HB% A 46 SER HBx 1.0 . 4.62 577 473 A 47 GLY HAy A 48 LYS HB2 1.0 . 4.28 578 473 A 48 LYS HB3 A 47 GLY HAy 1.0 . 4.28 579 474 A 48 LYS HA A 47 GLY H 1.0 . 4.73 580 475 A 47 GLY HAx A 48 LYS HA 1.0 . 4.55 581 476 A 29 ALA HA A 48 LYS HDx 1.0 . 5.00 582 477 A 48 LYS HGy A 48 LYS HB2 1.0 . 3.00 583 477 A 48 LYS HB3 A 48 LYS HGy 1.0 . 3.00 584 478 A 48 LYS HGy A 47 GLY HAy 1.0 . 4.45 585 479 A 49 THR HA A 16 VAL H 1.0 . 5.50 586 480 A 53 GLY HAx A 49 THR HB 1.0 . 3.98 587 481 A 49 THR HG2% A 28 VAL HB 1.0 . 3.32 588 482 A 55 LEU HG A 49 THR HG2% 1.0 . 4.50 589 483 A 73 ILE HG1y A 49 THR HG2% 1.0 . 4.77 590 484 A 49 THR HG2% A 16 VAL HGy% 1.0 . 2.88 591 485 A 49 THR HG2% A 25 ALA HB% 1.0 . 4.18 592 486 A 48 LYS HA A 49 THR HG2% 1.0 . 4.08 593 487 A 49 THR HG2% A 28 VAL H 1.0 . 3.91 594 488 A 26 ILE HG1x A 51 GLU HA 1.0 . 3.99 595 489 A 51 GLU HA A 26 ILE HB 1.0 . 4.78 596 490 A 26 ILE HG1y A 51 GLU HA 1.0 . 3.98 597 491 A 60 THR HA A 61 GLU HB2 1.0 . 4.81 598 491 A 61 GLU HB3 A 60 THR HA 1.0 . 4.81 599 492 A 50 SER HA A 51 GLU HG2 1.0 . 4.16 600 492 A 51 GLU HG3 A 50 SER HA 1.0 . 4.16 601 493 A 52 SER HBy A 54 GLU HB2 1.0 . 4.46 602 493 A 54 GLU HB3 A 52 SER HBy 1.0 . 4.46 603 494 A 52 SER HBx A 51 GLU HB2 1.0 . 5.08 604 494 A 51 GLU HB3 A 52 SER HBx 1.0 . 5.08 605 495 A 53 GLY HAx A 24 PRO HA 1.0 . 4.64 606 496 A 53 GLY HAx A 52 SER H 1.0 . 4.69 607 497 A 54 GLU HA A 55 LEU HBx 1.0 . 4.58 608 498 A 14 VAL HG1% A 54 GLU HA 1.0 . 5.01 609 499 A 47 GLY HAy A 55 LEU HDx% 1.0 . 4.43 610 500 A 47 GLY HAx A 55 LEU HDy% 1.0 . 4.04 611 501 A 55 LEU HG A 49 THR HA 1.0 . 4.60 612 502 A 45 ALA HB% A 58 LEU HDx% 1.0 . 3.33 613 503 A 47 GLY HAx A 58 LEU HDx% 1.0 . 4.12 614 504 A 46 SER H A 58 LEU HDy% 1.0 . 4.11 615 505 A 47 GLY HAx A 58 LEU HDy% 1.0 . 4.12 616 506 A 58 LEU HA A 58 LEU HDy% 1.0 . 4.40 617 507 A 58 LEU HBy A 58 LEU HDy% 1.0 . 3.46 618 508 A 45 ALA HB% A 58 LEU HDy% 1.0 . 3.33 619 509 A 5 THR HG2% A 4 GLY HA2 1.0 . 3.55 620 509 A 4 GLY HA3 A 5 THR HG2% 1.0 . 3.55 621 510 A 63 GLU H A 62 GLU HBy 1.0 . 4.52 622 511 A 65 VAL HGy% A 66 GLU HGy 1.0 . 5.50 623 512 A 60 THR HA A 61 GLU HG2 1.0 . 4.36 624 512 A 61 GLU HG3 A 60 THR HA 1.0 . 4.36 625 513 A 65 VAL HGx% A 63 GLU HA 1.0 . 4.23 626 514 A 65 VAL H A 63 GLU HA 1.0 . 4.24 627 515 A 64 PHE HA A 65 VAL HA 1.0 . 4.79 628 516 A 93 VAL HGx% A 108 ALA H 1.0 . 3.77 629 517 A 65 VAL HGx% A 69 TYR HE% 1.0 . 4.45 630 517 A 65 VAL HGx% A 69 TYR HD% 1.0 . 4.45 631 518 A 93 VAL HGx% A 94 VAL HA 1.0 . 3.91 632 519 A 34 ARG HDy A 65 VAL HGx% 1.0 . 4.58 633 520 A 34 ARG HDx A 65 VAL HGx% 1.0 . 4.82 634 521 A 65 VAL HGy% A 66 GLU HBx 1.0 . 4.09 635 522 A 68 ILE HD1% A 68 ILE HG2% 1.0 . 2.92 636 523 A 34 ARG HDy A 65 VAL HGy% 1.0 . 4.64 637 524 A 65 VAL HGy% A 64 PHE HA 1.0 . 4.45 638 525 A 68 ILE HG2% A 68 ILE HA 1.0 . 3.43 639 526 A 35 LYS HA A 68 ILE HG2% 1.0 . 4.05 640 527 A 68 ILE HG2% A 69 TYR HA 1.0 . 3.97 641 528 A 65 VAL HGy% A 69 TYR HE% 1.0 . 4.13 642 528 A 65 VAL HGy% A 69 TYR HD% 1.0 . 4.13 643 529 A 66 GLU HA A 97 ALA HB% 1.0 . 4.40 644 530 A 65 VAL HGy% A 66 GLU HGx 1.0 . 5.50 645 531 A 68 ILE HB A 35 LYS HD2 1.0 . 5.50 646 531 A 35 LYS HD3 A 68 ILE HB 1.0 . 5.50 647 532 A 68 ILE HD1% A 34 ARG HGx 1.0 . 4.63 648 533 A 68 ILE HD1% A 35 LYS HG2 1.0 . 4.18 649 533 A 35 LYS HG3 A 68 ILE HD1% 1.0 . 4.18 650 534 A 68 ILE HD1% A 96 THR HB 1.0 . 4.76 651 535 A 68 ILE HD1% A 34 ARG HH1% 1.0 . 4.22 652 536 A 35 LYS H A 68 ILE HD1% 1.0 . 4.03 653 537 A 82 LEU HBy A 84 ILE HG1x 1.0 . 4.46 654 538 A 79 TRP HA A 84 ILE HG1x 1.0 . 5.03 655 539 A 65 VAL HGy% A 34 ARG HGy 1.0 . 3.47 656 540 A 68 ILE HG2% A 35 LYS HG2 1.0 . 4.26 657 540 A 35 LYS HG3 A 68 ILE HG2% 1.0 . 4.26 658 541 A 68 ILE HB A 69 TYR HA 1.0 . 4.89 659 542 A 71 VAL HGx% A 70 LYS HA 1.0 . 5.50 660 543 A 71 VAL HGy% A 70 LYS HA 1.0 . 4.67 661 544 A 94 VAL HGx% A 70 LYS HA 1.0 . 4.89 662 545 A 94 VAL HGy% A 70 LYS HA 1.0 . 3.90 663 546 A 70 LYS HA A 69 TYR HBy 1.0 . 4.98 664 547 A 71 VAL HB A 73 ILE HD1% 1.0 . 4.48 665 548 A 32 VAL H A 71 VAL HGx% 1.0 . 4.57 666 549 A 31 HIS H A 71 VAL HGx% 1.0 . 3.94 667 550 A 93 VAL H A 71 VAL HGx% 1.0 . 4.37 668 551 A 72 GLU HA A 71 VAL HGx% 1.0 . 3.96 669 552 A 30 VAL HA A 71 VAL HGx% 1.0 . 4.03 670 553 A 72 GLU HBy A 71 VAL HGx% 1.0 . 4.72 671 554 A 30 VAL HB A 71 VAL HGx% 1.0 . 4.35 672 555 A 32 VAL HGy% A 71 VAL HGx% 1.0 . 2.73 673 556 A 73 ILE HG1x A 71 VAL HGx% 1.0 . 3.03 674 557 A 30 VAL HGx% A 71 VAL HGx% 1.0 . 2.44 675 558 A 31 HIS HBy A 72 GLU HBy 1.0 . 4.61 676 559 A 32 VAL HB A 46 SER HA 1.0 . 4.98 677 560 A 73 ILE HA A 72 GLU HBx 1.0 . 5.50 678 561 A 71 VAL HB A 93 VAL HA 1.0 . 5.50 679 562 A 71 VAL HB A 93 VAL HGy% 1.0 . 3.77 680 563 A 30 VAL HGx% A 72 GLU HGy 1.0 . 5.50 681 564 A 126 LYS HD2 A 127 GLU HG2 1.0 . 4.02 682 564 A 126 LYS HD3 A 127 GLU HG2 1.0 . 4.02 683 564 A 127 GLU HG3 A 126 LYS HD2 1.0 . 4.02 684 564 A 126 LYS HD3 A 127 GLU HG3 1.0 . 4.02 685 565 A 73 ILE HG1x A 72 GLU HGx 1.0 . 5.50 686 566 A 30 VAL HGx% A 72 GLU HGx 1.0 . 5.50 687 567 A 73 ILE H A 73 ILE HG2% 1.0 . 3.87 688 568 A 73 ILE HG2% A 74 ASP HA 1.0 . 4.25 689 569 A 73 ILE HG2% A 73 ILE HA 1.0 . 3.39 690 570 A 75 THR HA A 73 ILE HG2% 1.0 . 4.10 691 571 A 73 ILE HG2% A 74 ASP HBy 1.0 . 4.73 692 572 A 73 ILE HG2% A 29 ALA HB% 1.0 . 4.56 693 573 A 73 ILE HG2% A 111 LEU HG 1.0 . 5.04 694 574 A 73 ILE HG2% A 73 ILE HG1y 1.0 . 3.53 695 575 A 73 ILE HG2% A 73 ILE HG1x 1.0 . 3.25 696 576 A 28 VAL HGy% A 73 ILE HG2% 1.0 . 3.65 697 577 A 73 ILE HG2% A 111 LEU HDx% 1.0 . 3.72 698 578 A 12 LEU HA A 12 LEU HG 1.0 . 4.16 699 579 A 73 ILE HG2% A 74 ASP HBx 1.0 . 4.73 700 580 A 28 VAL HGx% A 75 THR HA 1.0 . 4.50 701 581 A 28 VAL HGx% A 75 THR HB 1.0 . 5.34 702 582 A 73 ILE HG2% A 75 THR HB 1.0 . 5.50 703 583 A 28 VAL HGy% A 75 THR HG2% 1.0 . 4.67 704 584 A 75 THR HG2% A 111 LEU HDx% 1.0 . 3.79 705 585 A 75 THR HG2% A 73 ILE HG2% 1.0 . 3.03 706 586 A 75 THR HG2% A 90 HIS HBy 1.0 . 4.55 707 587 A 75 THR HG2% A 74 ASP HA 1.0 . 4.24 708 588 A 73 ILE H A 75 THR HG2% 1.0 . 5.50 709 589 A 77 SER HA A 80 LYS HE2 1.0 . 4.38 710 589 A 80 LYS HE3 A 77 SER HA 1.0 . 4.38 711 590 A 76 LYS HD2 A 77 SER HB2 1.0 . 4.45 712 590 A 76 LYS HD3 A 77 SER HB2 1.0 . 4.45 713 590 A 77 SER HB3 A 76 LYS HD2 1.0 . 4.45 714 590 A 76 LYS HD3 A 77 SER HB3 1.0 . 4.45 715 591 A 127 GLU H A 126 LYS HE2 1.0 . 4.44 716 591 A 127 GLU H A 126 LYS HE3 1.0 . 4.44 717 592 A 40 THR HA A 41 TRP HD1 1.0 . 4.47 718 593 A 80 LYS HGx A 77 SER HB2 1.0 . 4.44 719 593 A 80 LYS HGx A 77 SER HB3 1.0 . 4.44 720 594 A 78 TYR HA A 77 SER HB2 1.0 . 4.30 721 594 A 78 TYR HA A 77 SER HB3 1.0 . 4.30 722 595 A 28 VAL HGy% A 78 TYR HBx 1.0 . 4.51 723 596 A 79 TRP HA A 82 LEU H 1.0 . 4.19 724 597 A 80 LYS HA A 83 GLY HAx 1.0 . 4.23 725 598 A 80 LYS HGy A 80 LYS HD2 1.0 . 2.95 726 598 A 80 LYS HD3 A 80 LYS HGy 1.0 . 2.95 727 599 A 81 ALA H A 80 LYS HGy 1.0 . 4.59 728 600 A 110 MET HBy A 19 ALA HA 1.0 . 5.50 729 601 A 81 ALA HB% A 77 SER HB2 1.0 . 4.92 730 601 A 81 ALA HB% A 77 SER HB3 1.0 . 4.92 731 602 A 81 ALA HB% A 82 LEU HBy 1.0 . 4.39 732 603 A 81 ALA HB% A 82 LEU HDx% 1.0 . 3.71 733 604 A 82 LEU HDx% A 82 LEU HBy 1.0 . 4.02 734 605 A 81 ALA HA A 82 LEU HDx% 1.0 . 4.51 735 606 A 53 GLY HAx A 15 LYS HD2 1.0 . 4.76 736 606 A 53 GLY HAx A 15 LYS HD3 1.0 . 4.76 737 607 A 84 ILE HA A 84 ILE HG1x 1.0 . 4.07 738 608 A 87 MET HE% A 114 TYR H 1.0 . 5.08 739 609 A 107 ILE H A 13 MET HB2 1.0 . 5.32 740 609 A 107 ILE H A 13 MET HB3 1.0 . 5.32 741 610 A 93 VAL HGy% A 71 VAL H 1.0 . 4.77 742 611 A 93 VAL HGy% A 108 ALA H 1.0 . 4.20 743 612 A 109 ALA H A 93 VAL HGy% 1.0 . 5.00 744 613 A 93 VAL HGy% A 107 ILE HA 1.0 . 3.79 745 614 A 93 VAL HGy% A 107 ILE HG1y 1.0 . 4.15 746 615 A 93 VAL HGy% A 108 ALA HB% 1.0 . 4.38 747 616 A 107 ILE HG2% A 93 VAL HGy% 1.0 . 2.87 748 617 A 94 VAL HA A 95 PHE HA 1.0 . 4.50 749 618 A 94 VAL HA A 95 PHE HE% 1.0 . 4.49 750 618 A 94 VAL HA A 95 PHE HD% 1.0 . 4.49 751 619 A 32 VAL HGy% A 46 SER H 1.0 . 4.21 752 620 A 94 VAL HGy% A 41 TRP HZ2 1.0 . 3.59 753 621 A 94 VAL HGy% A 41 TRP HH2 1.0 . 3.67 754 622 A 32 VAL HGy% A 71 VAL HGy% 1.0 . 2.65 755 623 A 96 THR HB A 95 PHE HA 1.0 . 4.70 756 624 A 95 PHE HA A 95 PHE HE% 1.0 . 4.28 757 624 A 95 PHE HD% A 95 PHE HA 1.0 . 4.28 758 625 A 8 SER HB3 A 9 LYS HD2 1.0 . 4.33 759 625 A 8 SER HB2 A 9 LYS HD2 1.0 . 4.33 760 625 A 9 LYS HD3 A 8 SER HB2 1.0 . 4.33 761 625 A 9 LYS HD3 A 8 SER HB3 1.0 . 4.33 762 626 A 106 THR HG2% A 15 LYS HG2 1.0 . 3.34 763 626 A 106 THR HG2% A 15 LYS HG3 1.0 . 3.34 764 627 A 106 THR HG2% A 13 MET HGx 1.0 . 3.84 765 628 A 106 THR HG2% A 15 LYS HE2 1.0 . 4.97 766 628 A 106 THR HG2% A 15 LYS HE3 1.0 . 4.97 767 629 A 13 MET HA A 106 THR HG2% 1.0 . 4.87 768 630 A 106 THR HG2% A 13 MET H 1.0 . 4.10 769 631 A 106 THR HG2% A 108 ALA H 1.0 . 4.33 770 632 A 14 VAL HA A 107 ILE HB 1.0 . 4.61 771 633 A 93 VAL HGy% A 107 ILE HB 1.0 . 4.25 772 634 A 32 VAL HGy% A 107 ILE HD1% 1.0 . 4.14 773 635 A 93 VAL HGy% A 107 ILE HG1x 1.0 . 4.15 774 636 A 107 ILE HG2% A 93 VAL HA 1.0 . 4.67 775 637 A 108 ALA HB% A 109 ALA HA 1.0 . 4.21 776 638 A 16 VAL HGy% A 109 ALA HA 1.0 . 4.86 777 639 A 127 GLU H A 126 LYS HA 1.0 . 3.52 778 640 A 127 GLU H A 127 GLU HBy 1.0 . 3.90 779 641 A 32 VAL HGy% A 72 GLU H 1.0 . 4.48 780 642 A 16 VAL HB A 49 THR HG2% 1.0 . 3.51 781 643 A 16 VAL HGx% A 28 VAL HB 1.0 . 3.63 782 644 A 49 THR HG2% A 16 VAL HGx% 1.0 . 3.42 783 645 A 20 VAL H A 110 MET HE% 1.0 . 4.73 784 646 A 110 MET HE% A 22 GLY H 1.0 . 4.51 785 647 A 107 ILE HB A 71 VAL HGx% 1.0 . 3.98 786 648 A 19 ALA H A 110 MET HGy 1.0 . 5.14 787 649 A 110 MET HGy A 111 LEU H 1.0 . 5.33 788 650 A 106 THR HG2% A 14 VAL HA 1.0 . 3.93 789 651 A 16 VAL HB A 25 ALA HB% 1.0 . 3.81 790 652 A 13 MET HE% A 15 LYS HE2 1.0 . 4.35 791 652 A 13 MET HE% A 15 LYS HE3 1.0 . 4.35 792 653 A 16 VAL HB A 15 LYS HE2 1.0 . 4.21 793 653 A 16 VAL HB A 15 LYS HE3 1.0 . 4.21 794 654 A 106 THR HA A 13 MET HE% 1.0 . 4.10 795 655 A 13 MET HE% A 15 LYS HG2 1.0 . 3.78 796 655 A 13 MET HE% A 15 LYS HG3 1.0 . 3.78 797 656 A 13 MET HE% A 14 VAL HG1% 1.0 . 4.52 798 657 A 13 MET HE% A 13 MET H 1.0 . 4.75 799 658 A 13 MET HE% A 55 LEU H 1.0 . 3.95 800 659 A 13 MET HE% A 14 VAL H 1.0 . 4.21 801 660 A 13 MET HE% A 16 VAL H 1.0 . 4.94 802 661 A 13 MET HE% A 15 LYS H 1.0 . 4.23 803 662 A 107 ILE H A 13 MET HE% 1.0 . 4.34 804 663 A 106 THR HB A 13 MET HE% 1.0 . 4.41 805 664 A 93 VAL HGx% A 95 PHE HE% 1.0 . 3.78 806 664 A 93 VAL HGx% A 95 PHE HD% 1.0 . 3.78 807 665 A 31 HIS HA A 71 VAL HGx% 1.0 . 4.80 808 666 A 94 VAL H A 94 VAL HGx% 1.0 . 4.45 809 667 A 32 VAL HGx% A 12 LEU HDy% 1.0 . 4.05 810 668 A 32 VAL HGy% A 46 SER HBy 1.0 . 4.92 811 669 A 34 ARG HDx A 44 PHE HE% 1.0 . 4.69 812 669 A 44 PHE HD% A 34 ARG HDx 1.0 . 4.69 813 670 A 24 PRO HGy A 52 SER HA 1.0 . 4.84 814 671 A 32 VAL HA A 45 ALA HB% 1.0 . 5.05 815 672 A 17 LEU H A 15 LYS HD2 1.0 . 5.42 816 672 A 17 LEU H A 15 LYS HD3 1.0 . 5.42 817 673 A 8 SER H A 9 LYS HE2 1.0 . 5.46 818 673 A 8 SER H A 9 LYS HE3 1.0 . 5.46 819 674 A 19 ALA HA A 22 GLY HAy 1.0 . 4.87 820 675 A 26 ILE HA A 27 ASN HA 1.0 . 4.45 821 676 A 82 LEU HDy% A 82 LEU HBy 1.0 . 3.17 822 677 A 32 VAL HGx% A 12 LEU HDx% 1.0 . 4.05 823 678 A 27 ASN HBx A 82 LEU HDy% 1.0 . 5.08 824 679 A 27 ASN HBy A 82 LEU HDy% 1.0 . 4.15 825 680 A 13 MET H A 12 LEU HDx% 1.0 . 4.32 826 681 A 5 THR HG2% A 5 THR H 1.0 . 4.05 827 682 A 5 THR H A 4 GLY HA2 1.0 . 3.37 828 682 A 4 GLY HA3 A 5 THR H 1.0 . 3.37 829 683 A 3 THR H A 2 PRO HA 1.0 . 3.35 830 684 A 3 THR HG2% A 3 THR H 1.0 . 4.40 831 685 A 7 GLU H A 7 GLU HBy 1.0 . 3.86 832 686 A 7 GLU H A 7 GLU HBx 1.0 . 3.86 833 687 A 8 SER H A 8 SER HB2 1.0 . 3.22 834 687 A 8 SER H A 8 SER HB3 1.0 . 3.22 835 688 A 8 SER HA A 9 LYS H 1.0 . 2.97 836 689 A 9 LYS H A 9 LYS HBy 1.0 . 4.05 837 690 A 84 ILE HB A 85 SER H 1.0 . 4.27 838 691 A 9 LYS H A 9 LYS HBx 1.0 . 4.05 839 692 A 9 LYS H A 9 LYS HE2 1.0 . 4.38 840 692 A 9 LYS HE3 A 9 LYS H 1.0 . 4.38 841 693 A 10 CYS H A 10 CYS HB2 1.0 . 3.94 842 693 A 10 CYS H A 10 CYS HB3 1.0 . 3.94 843 694 A 12 LEU H A 11 PRO HDy 1.0 . 4.43 844 695 A 12 LEU H A 11 PRO HDx 1.0 . 4.49 845 696 A 12 LEU H A 10 CYS HB2 1.0 . 4.28 846 696 A 12 LEU H A 10 CYS HB3 1.0 . 4.28 847 697 A 12 LEU H A 11 PRO HBy 1.0 . 4.34 848 698 A 12 LEU H A 11 PRO HBx 1.0 . 4.34 849 699 A 12 LEU H A 11 PRO HG2 1.0 . 4.20 850 699 A 12 LEU H A 11 PRO HG3 1.0 . 4.20 851 700 A 12 LEU H A 12 LEU HBy 1.0 . 3.91 852 701 A 12 LEU H A 59 THR HG2% 1.0 . 3.91 853 702 A 12 LEU H A 12 LEU HBx 1.0 . 3.91 854 703 A 13 MET H A 13 MET HB2 1.0 . 3.67 855 703 A 13 MET HB3 A 13 MET H 1.0 . 3.67 856 704 A 13 MET HGy A 13 MET H 1.0 . 4.30 857 705 A 12 LEU HA A 13 MET H 1.0 . 3.43 858 706 A 106 THR HA A 13 MET H 1.0 . 3.80 859 707 A 12 LEU H A 13 MET H 1.0 . 4.51 860 708 A 13 MET H A 12 LEU HDy% 1.0 . 4.32 861 709 A 14 VAL H A 14 VAL HB 1.0 . 4.14 862 710 A 14 VAL H A 13 MET HB2 1.0 . 4.49 863 710 A 13 MET HB3 A 14 VAL H 1.0 . 4.49 864 711 A 106 THR HG2% A 14 VAL H 1.0 . 4.53 865 712 A 15 LYS HBy A 15 LYS H 1.0 . 3.86 866 713 A 15 LYS H A 15 LYS HBx 1.0 . 3.93 867 714 A 15 LYS H A 15 LYS HG2 1.0 . 4.07 868 714 A 15 LYS H A 15 LYS HG3 1.0 . 4.07 869 715 A 106 THR HG2% A 15 LYS H 1.0 . 4.11 870 716 A 14 VAL HA A 15 LYS H 1.0 . 3.50 871 717 A 16 VAL HB A 16 VAL H 1.0 . 3.68 872 718 A 15 LYS HBy A 16 VAL H 1.0 . 4.47 873 719 A 16 VAL H A 15 LYS HBx 1.0 . 4.50 874 720 A 16 VAL H A 15 LYS HG2 1.0 . 3.81 875 720 A 15 LYS HG3 A 16 VAL H 1.0 . 3.81 876 721 A 16 VAL HGy% A 16 VAL H 1.0 . 3.40 877 722 A 17 LEU H A 16 VAL H 1.0 . 4.31 878 723 A 15 LYS HA A 16 VAL H 1.0 . 3.28 879 724 A 74 ASP H A 73 ILE H 1.0 . 4.49 880 725 A 74 ASP H A 73 ILE HA 1.0 . 3.12 881 726 A 74 ASP H A 74 ASP HBy 1.0 . 3.49 882 727 A 74 ASP H A 74 ASP HBx 1.0 . 3.49 883 728 A 17 LEU H A 17 LEU HBy 1.0 . 3.97 884 729 A 17 LEU H A 17 LEU HG 1.0 . 3.78 885 730 A 74 ASP H A 73 ILE HG1y 1.0 . 4.98 886 731 A 74 ASP H A 75 THR HG2% 1.0 . 4.44 887 732 A 17 LEU H A 109 ALA HB% 1.0 . 4.64 888 733 A 74 ASP H A 73 ILE HG2% 1.0 . 3.13 889 734 A 17 LEU H A 25 ALA HB% 1.0 . 4.54 890 735 A 74 ASP H A 73 ILE HG1x 1.0 . 4.67 891 736 A 74 ASP H A 30 VAL H 1.0 . 5.27 892 737 A 17 LEU H A 17 LEU HBx 1.0 . 4.13 893 738 A 18 ASP H A 25 ALA H 1.0 . 4.14 894 739 A 18 ASP H A 22 GLY H 1.0 . 4.68 895 740 A 18 ASP H A 23 SER H 1.0 . 4.23 896 741 A 18 ASP H A 18 ASP HBy 1.0 . 3.73 897 742 A 18 ASP H A 18 ASP HBx 1.0 . 3.73 898 743 A 18 ASP H A 17 LEU HBy 1.0 . 3.75 899 744 A 110 MET HBx A 110 MET H 1.0 . 4.15 900 745 A 18 ASP H A 17 LEU HBx 1.0 . 4.16 901 746 A 18 ASP H A 25 ALA HB% 1.0 . 3.91 902 747 A 19 ALA H A 20 VAL H 1.0 . 3.78 903 748 A 20 VAL H A 21 ARG H 1.0 . 3.28 904 749 A 20 VAL H A 23 SER H 1.0 . 5.46 905 750 A 20 VAL H A 20 VAL HB 1.0 . 3.41 906 751 A 21 ARG H A 21 ARG HD2 1.0 . 4.03 907 751 A 21 ARG H A 21 ARG HD3 1.0 . 4.03 908 752 A 21 ARG H A 20 VAL HB 1.0 . 3.63 909 753 A 21 ARG H A 23 SER H 1.0 . 4.33 910 754 A 21 ARG H A 21 ARG HBy 1.0 . 3.87 911 755 A 21 ARG H A 21 ARG HGy 1.0 . 3.70 912 756 A 21 ARG H A 21 ARG HBx 1.0 . 3.60 913 757 A 19 ALA HA A 22 GLY H 1.0 . 3.73 914 758 A 20 VAL H A 22 GLY H 1.0 . 3.79 915 759 A 22 GLY H A 23 SER H 1.0 . 3.36 916 760 A 23 SER H A 23 SER HBy 1.0 . 3.68 917 761 A 23 SER H A 23 SER HBx 1.0 . 3.68 918 762 A 25 ALA HB% A 25 ALA H 1.0 . 3.44 919 763 A 25 ALA H A 24 PRO HBx 1.0 . 3.87 920 764 A 24 PRO HBy A 25 ALA H 1.0 . 3.74 921 765 A 53 GLY HAx A 25 ALA H 1.0 . 4.43 922 766 A 25 ALA H A 24 PRO HGy 1.0 . 4.72 923 767 A 26 ILE H A 25 ALA HA 1.0 . 3.33 924 768 A 26 ILE H A 51 GLU HA 1.0 . 5.04 925 769 A 26 ILE H A 26 ILE HB 1.0 . 3.53 926 770 A 26 ILE HG1y A 26 ILE H 1.0 . 3.78 927 771 A 26 ILE HG1x A 26 ILE H 1.0 . 4.16 928 772 A 49 THR H A 27 ASN H 1.0 . 4.73 929 773 A 26 ILE HA A 27 ASN H 1.0 . 3.44 930 774 A 27 ASN HBy A 27 ASN H 1.0 . 3.92 931 775 A 27 ASN HBx A 27 ASN H 1.0 . 4.15 932 776 A 26 ILE HD1% A 27 ASN H 1.0 . 4.05 933 777 A 28 VAL HGy% A 27 ASN H 1.0 . 4.29 934 778 A 26 ILE HB A 27 ASN H 1.0 . 4.31 935 779 A 27 ASN H A 48 LYS HB2 1.0 . 3.88 936 779 A 48 LYS HB3 A 27 ASN H 1.0 . 3.88 937 780 A 26 ILE HG1y A 27 ASN H 1.0 . 4.22 938 781 A 26 ILE HG1x A 27 ASN H 1.0 . 5.28 939 782 A 26 ILE HA A 28 VAL H 1.0 . 4.36 940 783 A 48 LYS HA A 28 VAL H 1.0 . 4.33 941 784 A 28 VAL H A 27 ASN H 1.0 . 3.66 942 785 A 29 ALA H A 28 VAL H 1.0 . 4.49 943 786 A 28 VAL H A 28 VAL HB 1.0 . 3.36 944 787 A 28 VAL HGx% A 28 VAL H 1.0 . 4.03 945 788 A 28 VAL HGy% A 28 VAL H 1.0 . 3.39 946 789 A 74 ASP H A 29 ALA H 1.0 . 4.29 947 790 A 29 ALA H A 30 VAL H 1.0 . 4.81 948 791 A 29 ALA H A 29 ALA HB% 1.0 . 3.14 949 792 A 30 VAL HB A 30 VAL H 1.0 . 2.95 950 793 A 30 VAL HGy% A 30 VAL H 1.0 . 3.22 951 794 A 48 LYS HA A 30 VAL H 1.0 . 3.83 952 795 A 31 HIS H A 32 VAL H 1.0 . 4.24 953 796 A 74 ASP H A 31 HIS H 1.0 . 5.36 954 797 A 33 PHE HE% A 31 HIS H 1.0 . 5.30 955 798 A 30 VAL HA A 31 HIS H 1.0 . 3.09 956 799 A 72 GLU HA A 31 HIS H 1.0 . 4.75 957 800 A 31 HIS H A 31 HIS HBy 1.0 . 3.75 958 801 A 31 HIS H A 31 HIS HBx 1.0 . 4.05 959 802 A 31 HIS H A 72 GLU HBy 1.0 . 4.54 960 803 A 30 VAL HB A 31 HIS H 1.0 . 4.16 961 804 A 31 HIS H A 71 VAL HGy% 1.0 . 5.25 962 805 A 31 HIS H A 73 ILE HG1x 1.0 . 5.10 963 806 A 31 HIS H A 30 VAL HGx% 1.0 . 3.03 964 807 A 32 VAL H A 44 PHE HE% 1.0 . 5.50 965 807 A 44 PHE HD% A 32 VAL H 1.0 . 5.50 966 808 A 33 PHE HE% A 32 VAL H 1.0 . 4.69 967 809 A 32 VAL HB A 32 VAL H 1.0 . 3.57 968 810 A 32 VAL HGy% A 32 VAL H 1.0 . 3.29 969 811 A 32 VAL H A 71 VAL HGy% 1.0 . 4.78 970 812 A 33 PHE HD% A 33 PHE H 1.0 . 3.67 971 813 A 34 ARG H A 33 PHE H 1.0 . 4.84 972 814 A 72 GLU H A 33 PHE H 1.0 . 5.37 973 815 A 33 PHE H A 70 LYS H 1.0 . 3.92 974 816 A 32 VAL H A 33 PHE H 1.0 . 5.08 975 817 A 71 VAL H A 33 PHE H 1.0 . 5.41 976 818 A 32 VAL HA A 33 PHE H 1.0 . 3.34 977 819 A 44 PHE HBy A 33 PHE H 1.0 . 4.87 978 820 A 33 PHE H A 33 PHE HBx 1.0 . 3.95 979 821 A 34 ARG H A 70 LYS H 1.0 . 4.88 980 822 A 34 ARG H A 44 PHE HE% 1.0 . 4.52 981 822 A 44 PHE HD% A 34 ARG H 1.0 . 4.52 982 823 A 33 PHE HD% A 34 ARG H 1.0 . 3.84 983 824 A 33 PHE HA A 34 ARG H 1.0 . 3.29 984 825 A 69 TYR HA A 34 ARG H 1.0 . 5.10 985 826 A 42 GLU HA A 34 ARG H 1.0 . 4.59 986 827 A 34 ARG H A 41 TRP HA 1.0 . 4.52 987 828 A 43 PRO HA A 34 ARG H 1.0 . 4.47 988 829 A 34 ARG H A 33 PHE HBy 1.0 . 3.53 989 830 A 34 ARG HDx A 34 ARG H 1.0 . 4.84 990 831 A 34 ARG H A 33 PHE HBx 1.0 . 3.90 991 832 A 42 GLU HBy A 34 ARG H 1.0 . 4.04 992 833 A 42 GLU HBx A 34 ARG H 1.0 . 4.36 993 834 A 34 ARG H A 34 ARG HBy 1.0 . 3.72 994 835 A 34 ARG H A 34 ARG HBx 1.0 . 3.72 995 836 A 34 ARG H A 34 ARG HGx 1.0 . 4.55 996 837 A 35 LYS H A 35 LYS HE2 1.0 . 5.36 997 837 A 35 LYS H A 35 LYS HE3 1.0 . 5.36 998 838 A 35 LYS H A 35 LYS HBy 1.0 . 3.54 999 839 A 35 LYS H A 68 ILE HB 1.0 . 3.79 1000 840 A 35 LYS H A 34 ARG HBx 1.0 . 4.55 1001 841 A 35 LYS H A 35 LYS HBx 1.0 . 3.54 1002 842 A 35 LYS H A 34 ARG HBy 1.0 . 4.55 1003 843 A 35 LYS H A 35 LYS HG2 1.0 . 4.04 1004 843 A 35 LYS H A 35 LYS HG3 1.0 . 4.04 1005 844 A 35 LYS H A 34 ARG HGx 1.0 . 3.69 1006 845 A 107 ILE HD1% A 108 ALA H 1.0 . 5.10 1007 846 A 37 ALA H A 36 ALA H 1.0 . 4.66 1008 847 A 36 ALA HB% A 36 ALA H 1.0 . 2.87 1009 848 A 36 ALA H A 35 LYS HG2 1.0 . 3.57 1010 848 A 35 LYS HG3 A 36 ALA H 1.0 . 3.57 1011 849 A 36 ALA HA A 37 ALA H 1.0 . 2.99 1012 850 A 37 ALA H A 37 ALA HB% 1.0 . 2.69 1013 851 A 38 ASP H A 37 ALA H 1.0 . 3.40 1014 852 A 39 ASP H A 38 ASP H 1.0 . 3.06 1015 853 A 37 ALA HA A 38 ASP H 1.0 . 3.54 1016 854 A 38 ASP H A 38 ASP HBy 1.0 . 3.58 1017 855 A 38 ASP H A 38 ASP HBx 1.0 . 3.58 1018 856 A 39 ASP H A 39 ASP HA 1.0 . 2.76 1019 857 A 39 ASP H A 38 ASP HA 1.0 . 3.35 1020 858 A 39 ASP H A 37 ALA H 1.0 . 4.40 1021 859 A 39 ASP H A 36 ALA H 1.0 . 4.43 1022 860 A 39 ASP H A 39 ASP HB2 1.0 . 3.63 1023 860 A 39 ASP HB3 A 39 ASP H 1.0 . 3.63 1024 861 A 39 ASP H A 38 ASP HBy 1.0 . 4.31 1025 862 A 39 ASP H A 38 ASP HBx 1.0 . 4.31 1026 863 A 39 ASP H A 35 LYS HE2 1.0 . 4.84 1027 863 A 35 LYS HE3 A 39 ASP H 1.0 . 4.84 1028 864 A 36 ALA HB% A 39 ASP H 1.0 . 3.50 1029 865 A 39 ASP H A 40 THR HG2% 1.0 . 3.86 1030 866 A 39 ASP H A 35 LYS HD2 1.0 . 3.55 1031 866 A 35 LYS HD3 A 39 ASP H 1.0 . 3.55 1032 867 A 39 ASP H A 35 LYS HG2 1.0 . 4.40 1033 867 A 35 LYS HG3 A 39 ASP H 1.0 . 4.40 1034 868 A 40 THR H A 36 ALA H 1.0 . 3.91 1035 869 A 39 ASP H A 40 THR H 1.0 . 3.09 1036 870 A 38 ASP H A 40 THR H 1.0 . 3.59 1037 871 A 39 ASP HA A 40 THR H 1.0 . 3.28 1038 872 A 35 LYS HA A 40 THR H 1.0 . 4.51 1039 873 A 40 THR H A 40 THR HG2% 1.0 . 2.96 1040 874 A 40 THR H A 35 LYS HD2 1.0 . 3.79 1041 874 A 35 LYS HD3 A 40 THR H 1.0 . 3.79 1042 875 A 36 ALA HB% A 40 THR H 1.0 . 3.20 1043 876 A 40 THR H A 35 LYS HE2 1.0 . 4.32 1044 876 A 35 LYS HE3 A 40 THR H 1.0 . 4.32 1045 877 A 41 TRP H A 41 TRP HE1 1.0 . 5.50 1046 878 A 41 TRP HBy A 41 TRP H 1.0 . 3.25 1047 879 A 41 TRP H A 41 TRP HBx 1.0 . 3.81 1048 880 A 40 THR HA A 41 TRP H 1.0 . 2.72 1049 881 A 42 GLU H A 41 TRP H 1.0 . 4.28 1050 882 A 40 THR H A 41 TRP H 1.0 . 4.52 1051 883 A 41 TRP H A 41 TRP HD1 1.0 . 3.52 1052 884 A 41 TRP H A 40 THR HG2% 1.0 . 3.83 1053 885 A 34 ARG H A 42 GLU H 1.0 . 3.63 1054 886 A 42 GLU H A 36 ALA H 1.0 . 3.91 1055 887 A 93 VAL H A 71 VAL H 1.0 . 3.76 1056 888 A 35 LYS H A 42 GLU H 1.0 . 5.00 1057 889 A 70 LYS HA A 71 VAL H 1.0 . 3.51 1058 890 A 42 GLU H A 42 GLU HG2 1.0 . 3.45 1059 890 A 42 GLU HG3 A 42 GLU H 1.0 . 3.45 1060 891 A 42 GLU HBy A 42 GLU H 1.0 . 3.37 1061 892 A 42 GLU HBx A 42 GLU H 1.0 . 3.73 1062 893 A 41 TRP HBy A 42 GLU H 1.0 . 4.54 1063 894 A 42 GLU H A 41 TRP HBx 1.0 . 3.94 1064 895 A 42 GLU H A 33 PHE HBy 1.0 . 4.24 1065 896 A 71 VAL H A 92 GLU HBx 1.0 . 4.80 1066 897 A 71 VAL HGy% A 71 VAL H 1.0 . 3.52 1067 898 A 94 VAL HGy% A 71 VAL H 1.0 . 3.76 1068 899 A 71 VAL HGx% A 71 VAL H 1.0 . 3.91 1069 900 A 71 VAL H A 70 LYS HBy 1.0 . 4.59 1070 901 A 32 VAL H A 44 PHE H 1.0 . 4.82 1071 902 A 44 PHE H A 34 ARG H 1.0 . 3.99 1072 903 A 44 PHE H A 44 PHE HE% 1.0 . 4.30 1073 903 A 44 PHE HD% A 44 PHE H 1.0 . 4.30 1074 904 A 33 PHE HD% A 44 PHE H 1.0 . 4.19 1075 905 A 33 PHE HA A 44 PHE H 1.0 . 3.53 1076 906 A 43 PRO HA A 44 PHE H 1.0 . 3.25 1077 907 A 44 PHE HBy A 44 PHE H 1.0 . 3.66 1078 908 A 44 PHE HBx A 44 PHE H 1.0 . 3.82 1079 909 A 43 PRO HBy A 44 PHE H 1.0 . 3.94 1080 910 A 32 VAL HB A 44 PHE H 1.0 . 4.37 1081 911 A 43 PRO HBx A 44 PHE H 1.0 . 4.22 1082 912 A 43 PRO HDx A 44 PHE H 1.0 . 5.50 1083 913 A 45 ALA H A 45 ALA HB% 1.0 . 3.17 1084 914 A 33 PHE HA A 45 ALA H 1.0 . 3.90 1085 915 A 32 VAL H A 46 SER H 1.0 . 4.44 1086 916 A 47 GLY H A 46 SER H 1.0 . 4.36 1087 917 A 45 ALA H A 46 SER H 1.0 . 4.42 1088 918 A 46 SER H A 44 PHE HE% 1.0 . 5.45 1089 918 A 44 PHE HD% A 46 SER H 1.0 . 5.45 1090 919 A 45 ALA H A 44 PHE H 1.0 . 3.26 1091 920 A 45 ALA H A 32 VAL H 1.0 . 3.65 1092 921 A 45 ALA HA A 46 SER H 1.0 . 2.75 1093 922 A 46 SER HBy A 46 SER H 1.0 . 3.95 1094 923 A 46 SER HBx A 46 SER H 1.0 . 3.59 1095 924 A 47 GLY H A 32 VAL H 1.0 . 5.01 1096 925 A 47 GLY H A 46 SER HBx 1.0 . 4.18 1097 926 A 47 GLY H A 29 ALA HA 1.0 . 4.86 1098 927 A 46 SER HA A 47 GLY H 1.0 . 3.15 1099 928 A 31 HIS HA A 47 GLY H 1.0 . 3.95 1100 929 A 30 VAL HB A 47 GLY H 1.0 . 3.74 1101 930 A 47 GLY H A 55 LEU HDy% 1.0 . 5.29 1102 931 A 47 GLY H A 58 LEU HDx% 1.0 . 3.93 1103 932 A 47 GLY H A 58 LEU HDy% 1.0 . 3.93 1104 933 A 48 LYS H A 47 GLY H 1.0 . 4.36 1105 934 A 48 LYS H A 48 LYS HE2 1.0 . 4.31 1106 934 A 48 LYS HE3 A 48 LYS H 1.0 . 4.31 1107 935 A 48 LYS H A 48 LYS HB2 1.0 . 3.01 1108 935 A 48 LYS HB3 A 48 LYS H 1.0 . 3.01 1109 936 A 49 THR H A 29 ALA H 1.0 . 5.39 1110 937 A 49 THR H A 28 VAL H 1.0 . 3.44 1111 938 A 49 THR H A 49 THR HG2% 1.0 . 3.17 1112 939 A 49 THR H A 28 VAL HB 1.0 . 3.82 1113 940 A 49 THR H A 48 LYS HB2 1.0 . 3.32 1114 940 A 48 LYS HB3 A 49 THR H 1.0 . 3.32 1115 941 A 48 LYS HGy A 49 THR H 1.0 . 4.96 1116 942 A 49 THR H A 55 LEU HG 1.0 . 5.40 1117 943 A 48 LYS HGx A 49 THR H 1.0 . 3.95 1118 944 A 49 THR H A 55 LEU HDy% 1.0 . 4.71 1119 945 A 28 VAL HGy% A 49 THR H 1.0 . 4.13 1120 946 A 49 THR H A 49 THR HB 1.0 . 3.93 1121 947 A 49 THR H A 29 ALA HA 1.0 . 4.75 1122 948 A 49 THR H A 27 ASN HA 1.0 . 4.84 1123 949 A 48 LYS HA A 49 THR H 1.0 . 3.20 1124 950 A 51 GLU H A 50 SER H 1.0 . 4.66 1125 951 A 50 SER H A 54 GLU H 1.0 . 4.06 1126 952 A 50 SER H A 50 SER HBy 1.0 . 3.94 1127 953 A 49 THR HB A 50 SER H 1.0 . 3.44 1128 954 A 50 SER H A 50 SER HBx 1.0 . 3.94 1129 955 A 49 THR HA A 50 SER H 1.0 . 3.36 1130 956 A 53 GLY HAx A 50 SER H 1.0 . 4.06 1131 957 A 51 GLU H A 50 SER HBy 1.0 . 3.82 1132 958 A 51 GLU H A 50 SER HBx 1.0 . 3.82 1133 959 A 26 ILE HA A 51 GLU H 1.0 . 4.85 1134 960 A 51 GLU H A 52 SER HBx 1.0 . 5.38 1135 961 A 51 GLU H A 51 GLU HB2 1.0 . 3.01 1136 961 A 51 GLU H A 51 GLU HB3 1.0 . 3.01 1137 962 A 26 ILE HD1% A 51 GLU H 1.0 . 4.05 1138 963 A 52 SER H A 53 GLY H 1.0 . 3.33 1139 964 A 51 GLU H A 52 SER H 1.0 . 3.73 1140 965 A 52 SER H A 50 SER HA 1.0 . 4.11 1141 966 A 51 GLU HA A 52 SER H 1.0 . 3.52 1142 967 A 52 SER H A 52 SER HBy 1.0 . 3.79 1143 968 A 52 SER H A 52 SER HBx 1.0 . 3.51 1144 969 A 52 SER H A 51 GLU HB2 1.0 . 4.00 1145 969 A 52 SER H A 51 GLU HB3 1.0 . 4.00 1146 970 A 24 PRO HBy A 52 SER H 1.0 . 5.47 1147 971 A 52 SER H A 24 PRO HGx 1.0 . 5.50 1148 972 A 26 ILE HD1% A 52 SER H 1.0 . 4.20 1149 973 A 51 GLU H A 53 GLY H 1.0 . 4.24 1150 974 A 52 SER H A 54 GLU H 1.0 . 3.92 1151 975 A 53 GLY H A 54 GLU H 1.0 . 3.39 1152 976 A 54 GLU H A 54 GLU HB2 1.0 . 3.80 1153 976 A 54 GLU HB3 A 54 GLU H 1.0 . 3.80 1154 977 A 55 LEU H A 55 LEU HDx% 1.0 . 4.64 1155 978 A 55 LEU H A 54 GLU HB2 1.0 . 4.51 1156 978 A 54 GLU HB3 A 55 LEU H 1.0 . 4.51 1157 979 A 55 LEU H A 13 MET HB2 1.0 . 4.08 1158 979 A 13 MET HB3 A 55 LEU H 1.0 . 4.08 1159 980 A 55 LEU H A 14 VAL HB 1.0 . 4.25 1160 981 A 55 LEU HG A 55 LEU H 1.0 . 4.62 1161 982 A 55 LEU HBx A 55 LEU H 1.0 . 3.90 1162 983 A 55 LEU H A 55 LEU HDy% 1.0 . 4.64 1163 984 A 14 VAL HG1% A 55 LEU H 1.0 . 5.17 1164 985 A 14 VAL HG2% A 55 LEU H 1.0 . 5.50 1165 986 A 54 GLU HA A 55 LEU H 1.0 . 3.48 1166 987 A 49 THR HA A 55 LEU H 1.0 . 5.03 1167 988 A 58 LEU H A 59 THR H 1.0 . 3.92 1168 989 A 58 LEU H A 57 GLY H 1.0 . 4.16 1169 990 A 58 LEU H A 58 LEU HDx% 1.0 . 4.43 1170 991 A 59 THR HG2% A 59 THR H 1.0 . 3.96 1171 992 A 60 THR H A 63 GLU HB2 1.0 . 3.62 1172 992 A 60 THR H A 63 GLU HB3 1.0 . 3.62 1173 993 A 60 THR H A 60 THR HG2% 1.0 . 3.40 1174 994 A 60 THR H A 59 THR HG2% 1.0 . 4.11 1175 995 A 60 THR H A 61 GLU H 1.0 . 4.55 1176 996 A 61 GLU H A 60 THR HB 1.0 . 3.64 1177 997 A 61 GLU H A 61 GLU HG2 1.0 . 3.86 1178 997 A 61 GLU HG3 A 61 GLU H 1.0 . 3.86 1179 998 A 61 GLU H A 61 GLU HB2 1.0 . 3.32 1180 998 A 61 GLU HB3 A 61 GLU H 1.0 . 3.32 1181 999 A 63 GLU H A 62 GLU H 1.0 . 3.78 1182 1000 A 61 GLU H A 62 GLU H 1.0 . 3.77 1183 1001 A 62 GLU H A 61 GLU HG2 1.0 . 3.45 1184 1001 A 61 GLU HG3 A 62 GLU H 1.0 . 3.45 1185 1002 A 62 GLU H A 62 GLU HBy 1.0 . 3.64 1186 1003 A 62 GLU H A 62 GLU HBx 1.0 . 3.64 1187 1004 A 60 THR HG2% A 62 GLU H 1.0 . 4.17 1188 1005 A 60 THR HG2% A 61 GLU H 1.0 . 3.73 1189 1006 A 61 GLU HA A 63 GLU H 1.0 . 4.35 1190 1007 A 63 GLU H A 63 GLU HG2 1.0 . 3.35 1191 1007 A 63 GLU HG3 A 63 GLU H 1.0 . 3.35 1192 1008 A 63 GLU H A 63 GLU HB2 1.0 . 3.59 1193 1008 A 63 GLU H A 63 GLU HB3 1.0 . 3.59 1194 1009 A 64 PHE H A 63 GLU H 1.0 . 3.68 1195 1010 A 64 PHE H A 64 PHE HD% 1.0 . 4.29 1196 1011 A 64 PHE H A 64 PHE HB2 1.0 . 3.59 1197 1011 A 64 PHE HB3 A 64 PHE H 1.0 . 3.59 1198 1012 A 64 PHE H A 63 GLU HG2 1.0 . 3.78 1199 1012 A 63 GLU HG3 A 64 PHE H 1.0 . 3.78 1200 1013 A 64 PHE H A 63 GLU HB2 1.0 . 4.05 1201 1013 A 64 PHE H A 63 GLU HB3 1.0 . 4.05 1202 1014 A 65 VAL HGy% A 64 PHE H 1.0 . 4.18 1203 1015 A 65 VAL HGy% A 65 VAL H 1.0 . 3.06 1204 1016 A 65 VAL H A 65 VAL HB 1.0 . 4.18 1205 1017 A 65 VAL H A 64 PHE HD% 1.0 . 4.82 1206 1018 A 65 VAL H A 64 PHE HA 1.0 . 3.55 1207 1019 A 66 GLU H A 67 GLY H 1.0 . 4.19 1208 1020 A 65 VAL H A 66 GLU H 1.0 . 4.61 1209 1021 A 66 GLU H A 65 VAL HB 1.0 . 3.28 1210 1022 A 66 GLU H A 66 GLU HGy 1.0 . 3.96 1211 1023 A 66 GLU H A 66 GLU HGx 1.0 . 3.96 1212 1024 A 66 GLU H A 66 GLU HBy 1.0 . 3.68 1213 1025 A 66 GLU H A 66 GLU HBx 1.0 . 3.39 1214 1026 A 66 GLU H A 65 VAL HA 1.0 . 3.10 1215 1027 A 68 ILE HD1% A 68 ILE H 1.0 . 3.43 1216 1028 A 68 ILE H A 97 ALA HB% 1.0 . 3.33 1217 1029 A 68 ILE H A 68 ILE HG1x 1.0 . 3.83 1218 1030 A 68 ILE HB A 68 ILE H 1.0 . 3.16 1219 1031 A 68 ILE H A 68 ILE HG1y 1.0 . 3.83 1220 1032 A 68 ILE H A 67 GLY HAy 1.0 . 3.53 1221 1033 A 68 ILE H A 67 GLY HAx 1.0 . 3.53 1222 1034 A 68 ILE H A 69 TYR H 1.0 . 5.41 1223 1035 A 69 TYR HBy A 69 TYR H 1.0 . 4.09 1224 1036 A 69 TYR H A 69 TYR HBx 1.0 . 3.70 1225 1037 A 69 TYR H A 69 TYR HE% 1.0 . 3.72 1226 1037 A 69 TYR HD% A 69 TYR H 1.0 . 3.72 1227 1038 A 42 GLU H A 41 TRP HA 1.0 . 3.18 1228 1039 A 71 VAL HB A 71 VAL H 1.0 . 3.81 1229 1040 A 33 PHE HD% A 42 GLU H 1.0 . 3.93 1230 1041 A 32 VAL HA A 71 VAL H 1.0 . 5.00 1231 1042 A 33 PHE HA A 42 GLU H 1.0 . 5.47 1232 1043 A 43 PRO HDy A 42 GLU H 1.0 . 5.14 1233 1044 A 43 PRO HDx A 42 GLU H 1.0 . 5.06 1234 1045 A 35 LYS HA A 42 GLU H 1.0 . 4.07 1235 1046 A 32 VAL HA A 72 GLU H 1.0 . 4.03 1236 1047 A 72 GLU H A 31 HIS H 1.0 . 3.83 1237 1048 A 72 GLU H A 72 GLU HBx 1.0 . 3.88 1238 1049 A 72 GLU H A 72 GLU HBy 1.0 . 3.81 1239 1050 A 33 PHE HE% A 72 GLU H 1.0 . 5.01 1240 1051 A 73 ILE H A 72 GLU HA 1.0 . 3.38 1241 1052 A 73 ILE H A 73 ILE HG1x 1.0 . 4.17 1242 1053 A 73 ILE H A 73 ILE HG1y 1.0 . 4.52 1243 1054 A 73 ILE H A 73 ILE HB 1.0 . 3.81 1244 1055 A 72 GLU H A 73 ILE H 1.0 . 4.53 1245 1056 A 74 ASP H A 28 VAL HA 1.0 . 5.41 1246 1057 A 75 THR H A 75 THR HG2% 1.0 . 3.45 1247 1058 A 75 THR H A 75 THR HB 1.0 . 4.19 1248 1059 A 75 THR H A 76 LYS HGy 1.0 . 5.50 1249 1060 A 75 THR H A 76 LYS HGx 1.0 . 5.50 1250 1061 A 75 THR H A 76 LYS HB2 1.0 . 4.44 1251 1061 A 75 THR H A 76 LYS HB3 1.0 . 4.44 1252 1062 A 75 THR H A 73 ILE HG2% 1.0 . 3.87 1253 1063 A 76 LYS H A 76 LYS HB2 1.0 . 3.73 1254 1063 A 76 LYS H A 76 LYS HB3 1.0 . 3.73 1255 1064 A 76 LYS H A 74 ASP HA 1.0 . 4.47 1256 1065 A 76 LYS H A 79 TRP H 1.0 . 5.02 1257 1066 A 77 SER H A 77 SER HB2 1.0 . 3.40 1258 1066 A 77 SER H A 77 SER HB3 1.0 . 3.40 1259 1067 A 77 SER H A 79 TRP H 1.0 . 4.37 1260 1068 A 76 LYS H A 77 SER H 1.0 . 3.99 1261 1069 A 77 SER H A 76 LYS HB2 1.0 . 3.48 1262 1069 A 76 LYS HB3 A 77 SER H 1.0 . 3.48 1263 1070 A 77 SER H A 76 LYS HD2 1.0 . 4.18 1264 1070 A 76 LYS HD3 A 77 SER H 1.0 . 4.18 1265 1071 A 76 LYS HGx A 77 SER H 1.0 . 3.95 1266 1072 A 78 TYR H A 78 TYR HBy 1.0 . 3.93 1267 1073 A 78 TYR H A 78 TYR HBx 1.0 . 3.93 1268 1074 A 78 TYR H A 77 SER HB2 1.0 . 4.23 1269 1074 A 77 SER HB3 A 78 TYR H 1.0 . 4.23 1270 1075 A 77 SER H A 78 TYR H 1.0 . 3.89 1271 1076 A 79 TRP H A 79 TRP HBy 1.0 . 3.86 1272 1077 A 79 TRP H A 79 TRP HBx 1.0 . 3.86 1273 1078 A 81 ALA H A 80 LYS H 1.0 . 3.69 1274 1079 A 81 ALA H A 81 ALA HB% 1.0 . 2.88 1275 1080 A 81 ALA H A 80 LYS HBy 1.0 . 4.03 1276 1081 A 81 ALA H A 82 LEU H 1.0 . 3.35 1277 1082 A 80 LYS H A 82 LEU H 1.0 . 4.47 1278 1083 A 81 ALA HB% A 82 LEU H 1.0 . 3.17 1279 1084 A 82 LEU H A 82 LEU HBy 1.0 . 3.25 1280 1085 A 78 TYR HA A 82 LEU H 1.0 . 5.00 1281 1086 A 82 LEU H A 83 GLY HAx 1.0 . 4.95 1282 1087 A 83 GLY H A 82 LEU HA 1.0 . 3.47 1283 1088 A 81 ALA H A 83 GLY H 1.0 . 3.82 1284 1089 A 83 GLY H A 82 LEU H 1.0 . 3.11 1285 1090 A 83 GLY H A 82 LEU HBy 1.0 . 3.81 1286 1091 A 83 GLY H A 81 ALA HB% 1.0 . 4.30 1287 1092 A 83 GLY H A 84 ILE HG1x 1.0 . 4.42 1288 1093 A 83 GLY H A 84 ILE HD1% 1.0 . 4.62 1289 1094 A 83 GLY H A 82 LEU HDx% 1.0 . 4.39 1290 1095 A 83 GLY H A 82 LEU HDy% 1.0 . 4.28 1291 1096 A 80 LYS H A 84 ILE H 1.0 . 5.17 1292 1097 A 81 ALA H A 84 ILE H 1.0 . 4.98 1293 1098 A 82 LEU H A 84 ILE H 1.0 . 3.93 1294 1099 A 79 TRP HA A 84 ILE H 1.0 . 4.03 1295 1100 A 84 ILE HG2% A 84 ILE H 1.0 . 3.85 1296 1101 A 84 ILE HG1x A 84 ILE H 1.0 . 3.82 1297 1102 A 84 ILE HD1% A 84 ILE H 1.0 . 3.69 1298 1103 A 84 ILE HB A 84 ILE H 1.0 . 3.27 1299 1104 A 84 ILE HG1y A 84 ILE H 1.0 . 3.83 1300 1105 A 9 LYS H A 8 SER HB2 1.0 . 3.35 1301 1105 A 8 SER HB3 A 9 LYS H 1.0 . 3.35 1302 1106 A 84 ILE HA A 85 SER H 1.0 . 2.95 1303 1107 A 84 ILE HG2% A 85 SER H 1.0 . 3.30 1304 1108 A 87 MET HE% A 87 MET H 1.0 . 4.71 1305 1109 A 114 TYR HD% A 87 MET H 1.0 . 5.50 1306 1110 A 45 ALA H A 44 PHE HE% 1.0 . 3.65 1307 1110 A 44 PHE HD% A 45 ALA H 1.0 . 3.65 1308 1111 A 45 ALA H A 44 PHE HBy 1.0 . 3.62 1309 1112 A 45 ALA H A 44 PHE HBx 1.0 . 3.86 1310 1113 A 32 VAL HB A 45 ALA H 1.0 . 3.39 1311 1114 A 75 THR HG2% A 90 HIS H 1.0 . 4.80 1312 1115 A 71 VAL HB A 93 VAL H 1.0 . 4.22 1313 1116 A 94 VAL H A 93 VAL HA 1.0 . 3.41 1314 1117 A 93 VAL HB A 94 VAL H 1.0 . 4.61 1315 1118 A 94 VAL H A 94 VAL HB 1.0 . 3.81 1316 1119 A 96 THR H A 96 THR HB 1.0 . 3.32 1317 1120 A 96 THR H A 95 PHE HE% 1.0 . 3.87 1318 1120 A 96 THR H A 95 PHE HD% 1.0 . 3.87 1319 1121 A 96 THR H A 95 PHE HA 1.0 . 3.16 1320 1122 A 96 THR H A 68 ILE HA 1.0 . 5.10 1321 1123 A 97 ALA H A 96 THR H 1.0 . 4.59 1322 1124 A 97 ALA H A 67 GLY H 1.0 . 4.95 1323 1125 A 97 ALA H A 96 THR HA 1.0 . 3.26 1324 1126 A 97 ALA H A 68 ILE HA 1.0 . 3.81 1325 1127 A 97 ALA H A 96 THR HB 1.0 . 4.11 1326 1128 A 97 ALA H A 97 ALA HB% 1.0 . 3.49 1327 1129 A 97 ALA HA A 99 ASP H 1.0 . 4.17 1328 1130 A 108 ALA H A 107 ILE HB 1.0 . 4.54 1329 1131 A 107 ILE HG2% A 108 ALA H 1.0 . 3.63 1330 1132 A 35 LYS H A 68 ILE H 1.0 . 5.09 1331 1133 A 35 LYS H A 69 TYR HE% 1.0 . 4.66 1332 1133 A 35 LYS H A 69 TYR HD% 1.0 . 4.66 1333 1134 A 35 LYS H A 34 ARG HH1% 1.0 . 4.25 1334 1135 A 34 ARG HA A 35 LYS H 1.0 . 3.41 1335 1136 A 35 LYS H A 69 TYR HA 1.0 . 4.04 1336 1137 A 34 ARG HDx A 35 LYS H 1.0 . 4.51 1337 1138 A 107 ILE H A 107 ILE HB 1.0 . 4.02 1338 1139 A 107 ILE H A 107 ILE HG1y 1.0 . 4.37 1339 1140 A 107 ILE H A 107 ILE HG1x 1.0 . 4.37 1340 1141 A 107 ILE HG2% A 107 ILE H 1.0 . 3.76 1341 1142 A 107 ILE H A 107 ILE HD1% 1.0 . 4.51 1342 1143 A 107 ILE H A 108 ALA H 1.0 . 4.53 1343 1144 A 107 ILE H A 13 MET H 1.0 . 4.47 1344 1145 A 109 ALA H A 109 ALA HB% 1.0 . 3.50 1345 1146 A 109 ALA HB% A 110 MET H 1.0 . 3.81 1346 1147 A 109 ALA H A 15 LYS HG2 1.0 . 3.93 1347 1147 A 109 ALA H A 15 LYS HG3 1.0 . 3.93 1348 1148 A 109 ALA H A 108 ALA HB% 1.0 . 4.16 1349 1149 A 110 MET HGx A 110 MET H 1.0 . 4.31 1350 1150 A 110 MET HBy A 110 MET H 1.0 . 4.19 1351 1151 A 110 MET HE% A 110 MET H 1.0 . 5.50 1352 1152 A 111 LEU HDx% A 111 LEU H 1.0 . 4.24 1353 1153 A 16 VAL HGx% A 111 LEU H 1.0 . 4.31 1354 1154 A 111 LEU HDy% A 111 LEU H 1.0 . 3.71 1355 1155 A 111 LEU HG A 111 LEU H 1.0 . 4.12 1356 1156 A 19 ALA HB% A 111 LEU H 1.0 . 4.01 1357 1157 A 110 MET HBy A 111 LEU H 1.0 . 4.45 1358 1158 A 110 MET HE% A 111 LEU H 1.0 . 4.50 1359 1159 A 110 MET HBx A 111 LEU H 1.0 . 3.72 1360 1160 A 110 MET HA A 111 LEU H 1.0 . 3.40 1361 1161 A 18 ASP H A 111 LEU H 1.0 . 4.91 1362 1162 A 17 LEU H A 111 LEU H 1.0 . 4.01 1363 1163 A 109 ALA HB% A 111 LEU H 1.0 . 5.03 1364 1164 A 127 GLU H A 126 LYS H 1.0 . 3.77 1365 1165 A 127 GLU H A 125 PRO HG2 1.0 . 3.65 1366 1165 A 127 GLU H A 125 PRO HG3 1.0 . 3.65 1367 1166 A 127 GLU H A 126 LYS HG2 1.0 . 4.08 1368 1166 A 127 GLU H A 126 LYS HG3 1.0 . 4.08 1369 1167 A 127 GLU H A 127 GLU HBx 1.0 . 3.90 1370 1168 A 127 GLU H A 126 LYS HD2 1.0 . 3.72 1371 1168 A 127 GLU H A 126 LYS HD3 1.0 . 3.72 1372 1169 A 127 GLU H A 127 GLU HG2 1.0 . 3.63 1373 1169 A 127 GLU H A 127 GLU HG3 1.0 . 3.63 1374 1170 A 120 ALA H A 120 ALA HB% 1.0 . 3.85 1375 1171 A 5 THR HG2% A 6 GLY H 1.0 . 4.58 1376 1172 A 7 GLU H A 6 GLY H 1.0 . 4.47 1377 1173 A 7 GLU H A 5 THR HA 1.0 . 4.03 1378 1174 A 8 SER H A 7 GLU HBy 1.0 . 4.46 1379 1175 A 8 SER H A 7 GLU HBx 1.0 . 4.46 1380 1176 A 12 LEU H A 10 CYS HA 1.0 . 4.44 1381 1177 A 17 LEU HBx A 16 VAL H 1.0 . 4.70 1382 1178 A 109 ALA HB% A 16 VAL H 1.0 . 4.76 1383 1179 A 16 VAL H A 15 LYS HD2 1.0 . 4.10 1384 1179 A 15 LYS HD3 A 16 VAL H 1.0 . 4.10 1385 1180 A 18 ASP H A 23 SER HA 1.0 . 5.09 1386 1181 A 18 ASP H A 17 LEU HA 1.0 . 3.31 1387 1182 A 18 ASP H A 25 ALA HA 1.0 . 4.72 1388 1183 A 18 ASP H A 24 PRO HA 1.0 . 3.98 1389 1184 A 20 VAL H A 21 ARG HGy 1.0 . 5.19 1390 1185 A 19 ALA HB% A 20 VAL H 1.0 . 3.52 1391 1186 A 20 VAL H A 18 ASP HA 1.0 . 4.35 1392 1187 A 20 VAL HGy% A 21 ARG H 1.0 . 3.95 1393 1188 A 20 VAL HGy% A 22 GLY H 1.0 . 5.23 1394 1189 A 22 GLY H A 20 VAL HGx% 1.0 . 5.19 1395 1190 A 22 GLY H A 21 ARG HBy 1.0 . 4.78 1396 1191 A 21 ARG HBx A 22 GLY H 1.0 . 3.86 1397 1192 A 19 ALA HB% A 22 GLY H 1.0 . 5.00 1398 1193 A 22 GLY H A 21 ARG HD2 1.0 . 4.57 1399 1193 A 22 GLY H A 21 ARG HD3 1.0 . 4.57 1400 1194 A 22 GLY H A 18 ASP HBy 1.0 . 4.50 1401 1195 A 22 GLY H A 20 VAL HB 1.0 . 4.56 1402 1196 A 22 GLY H A 18 ASP HBx 1.0 . 4.50 1403 1197 A 19 ALA HA A 23 SER H 1.0 . 5.50 1404 1198 A 23 SER H A 18 ASP HBy 1.0 . 4.65 1405 1199 A 23 SER H A 18 ASP HBx 1.0 . 4.65 1406 1200 A 23 SER H A 21 ARG HBy 1.0 . 4.06 1407 1201 A 23 SER H A 21 ARG HGy 1.0 . 5.22 1408 1202 A 23 SER H A 17 LEU HBy 1.0 . 4.58 1409 1203 A 21 ARG HBx A 23 SER H 1.0 . 4.15 1410 1204 A 28 VAL HGy% A 25 ALA H 1.0 . 4.26 1411 1205 A 49 THR HG2% A 25 ALA H 1.0 . 5.04 1412 1206 A 17 LEU HBx A 25 ALA H 1.0 . 4.26 1413 1207 A 25 ALA H A 17 LEU HBy 1.0 . 4.35 1414 1208 A 49 THR HB A 25 ALA H 1.0 . 4.98 1415 1209 A 24 PRO HA A 25 ALA H 1.0 . 3.30 1416 1210 A 26 ILE H A 27 ASN H 1.0 . 4.60 1417 1211 A 26 ILE H A 25 ALA HB% 1.0 . 3.67 1418 1212 A 50 SER HA A 27 ASN H 1.0 . 4.21 1419 1213 A 27 ASN HBx A 28 VAL H 1.0 . 4.54 1420 1214 A 28 VAL H A 29 ALA HA 1.0 . 5.13 1421 1215 A 28 VAL H A 48 LYS HB2 1.0 . 3.70 1422 1215 A 48 LYS HB3 A 28 VAL H 1.0 . 3.70 1423 1216 A 48 LYS HGy A 28 VAL H 1.0 . 4.73 1424 1217 A 93 VAL HGy% A 92 GLU H 1.0 . 5.50 1425 1218 A 25 ALA HB% A 28 VAL H 1.0 . 5.00 1426 1219 A 93 VAL H A 92 GLU H 1.0 . 4.51 1427 1220 A 28 VAL HGx% A 29 ALA H 1.0 . 3.46 1428 1221 A 28 VAL HGy% A 29 ALA H 1.0 . 4.26 1429 1222 A 29 ALA H A 28 VAL HB 1.0 . 4.55 1430 1223 A 29 ALA H A 74 ASP HBy 1.0 . 4.75 1431 1224 A 29 ALA H A 74 ASP HBx 1.0 . 4.75 1432 1225 A 28 VAL HA A 29 ALA H 1.0 . 3.20 1433 1226 A 30 VAL H A 29 ALA HA 1.0 . 3.06 1434 1227 A 47 GLY HAx A 30 VAL H 1.0 . 4.97 1435 1228 A 48 LYS HGy A 30 VAL H 1.0 . 4.08 1436 1229 A 48 LYS HGx A 30 VAL H 1.0 . 4.53 1437 1230 A 49 THR HG2% A 30 VAL H 1.0 . 5.00 1438 1231 A 31 HIS HA A 30 VAL H 1.0 . 5.07 1439 1232 A 71 VAL HA A 31 HIS H 1.0 . 4.63 1440 1233 A 46 SER HA A 32 VAL H 1.0 . 3.57 1441 1234 A 31 HIS HA A 32 VAL H 1.0 . 3.22 1442 1235 A 32 VAL H A 46 SER HBy 1.0 . 3.97 1443 1236 A 32 VAL H A 46 SER HBx 1.0 . 4.73 1444 1237 A 31 HIS HBy A 32 VAL H 1.0 . 4.38 1445 1238 A 31 HIS HBx A 32 VAL H 1.0 . 3.80 1446 1239 A 32 VAL HGx% A 33 PHE H 1.0 . 3.35 1447 1240 A 71 VAL HGy% A 33 PHE H 1.0 . 3.98 1448 1241 A 32 VAL HGy% A 33 PHE H 1.0 . 4.33 1449 1242 A 71 VAL HGx% A 33 PHE H 1.0 . 5.31 1450 1243 A 32 VAL HB A 33 PHE H 1.0 . 4.29 1451 1244 A 69 TYR HBy A 33 PHE H 1.0 . 4.77 1452 1245 A 71 VAL HA A 33 PHE H 1.0 . 4.28 1453 1246 A 33 PHE HE% A 33 PHE H 1.0 . 5.50 1454 1247 A 33 PHE H A 44 PHE HE% 1.0 . 5.50 1455 1247 A 44 PHE HD% A 33 PHE H 1.0 . 5.50 1456 1248 A 34 ARG H A 69 TYR HE% 1.0 . 5.40 1457 1248 A 69 TYR HD% A 34 ARG H 1.0 . 5.40 1458 1249 A 35 LYS H A 34 ARG H 1.0 . 4.56 1459 1250 A 108 ALA H A 15 LYS H 1.0 . 5.37 1460 1251 A 34 ARG HDy A 35 LYS H 1.0 . 4.92 1461 1252 A 35 LYS H A 36 ALA H 1.0 . 4.55 1462 1253 A 38 ASP H A 36 ALA H 1.0 . 4.79 1463 1254 A 41 TRP HA A 36 ALA H 1.0 . 3.98 1464 1255 A 40 THR HA A 36 ALA H 1.0 . 4.61 1465 1256 A 40 THR HB A 36 ALA H 1.0 . 5.45 1466 1257 A 35 LYS HA A 36 ALA H 1.0 . 3.03 1467 1258 A 34 ARG HDx A 36 ALA H 1.0 . 5.34 1468 1259 A 36 ALA H A 42 GLU HG2 1.0 . 4.18 1469 1259 A 42 GLU HG3 A 36 ALA H 1.0 . 4.18 1470 1260 A 36 ALA H A 35 LYS HE2 1.0 . 4.07 1471 1260 A 35 LYS HE3 A 36 ALA H 1.0 . 4.07 1472 1261 A 40 THR HG2% A 36 ALA H 1.0 . 4.70 1473 1262 A 36 ALA H A 35 LYS HD2 1.0 . 3.78 1474 1262 A 35 LYS HD3 A 36 ALA H 1.0 . 3.78 1475 1263 A 84 ILE HD1% A 85 SER H 1.0 . 3.89 1476 1264 A 85 SER H A 84 ILE H 1.0 . 4.84 1477 1265 A 37 ALA H A 40 THR H 1.0 . 4.91 1478 1266 A 38 ASP H A 37 ALA HB% 1.0 . 3.22 1479 1267 A 38 ASP H A 40 THR HG2% 1.0 . 4.33 1480 1268 A 40 THR H A 38 ASP HBy 1.0 . 4.70 1481 1269 A 40 THR H A 38 ASP HBx 1.0 . 4.70 1482 1270 A 42 GLU HA A 41 TRP H 1.0 . 5.07 1483 1271 A 80 LYS H A 77 SER HB2 1.0 . 4.83 1484 1271 A 80 LYS H A 77 SER HB3 1.0 . 4.83 1485 1272 A 41 TRP H A 42 GLU HG2 1.0 . 4.61 1486 1272 A 42 GLU HG3 A 41 TRP H 1.0 . 4.61 1487 1273 A 80 LYS H A 80 LYS HBy 1.0 . 3.42 1488 1274 A 80 LYS H A 80 LYS HBx 1.0 . 3.77 1489 1275 A 41 TRP HBy A 41 TRP HE1 1.0 . 5.14 1490 1276 A 94 VAL HGx% A 41 TRP HE1 1.0 . 4.87 1491 1277 A 42 GLU H A 40 THR HB 1.0 . 5.50 1492 1278 A 43 PRO HA A 42 GLU H 1.0 . 5.50 1493 1279 A 32 VAL HGx% A 71 VAL H 1.0 . 4.60 1494 1280 A 44 PHE H A 45 ALA HA 1.0 . 4.64 1495 1281 A 43 PRO HDy A 44 PHE H 1.0 . 5.50 1496 1282 A 45 ALA H A 46 SER HA 1.0 . 5.13 1497 1283 A 31 HIS HA A 46 SER H 1.0 . 5.13 1498 1284 A 58 LEU HBy A 46 SER H 1.0 . 4.92 1499 1285 A 45 ALA HB% A 46 SER H 1.0 . 2.89 1500 1286 A 58 LEU HBx A 46 SER H 1.0 . 5.50 1501 1287 A 46 SER H A 58 LEU HDx% 1.0 . 4.11 1502 1288 A 47 GLY H A 45 ALA HB% 1.0 . 5.40 1503 1289 A 48 LYS HGy A 47 GLY H 1.0 . 5.50 1504 1290 A 47 GLY H A 58 LEU HG 1.0 . 5.50 1505 1291 A 48 LYS H A 47 GLY HAy 1.0 . 3.04 1506 1292 A 47 GLY HAx A 48 LYS H 1.0 . 3.01 1507 1293 A 48 LYS H A 55 LEU HBy 1.0 . 5.50 1508 1294 A 48 LYS H A 55 LEU HDy% 1.0 . 3.32 1509 1295 A 48 LYS H A 55 LEU HDx% 1.0 . 3.32 1510 1296 A 50 SER H A 54 GLU HA 1.0 . 5.13 1511 1297 A 49 THR HG2% A 50 SER H 1.0 . 3.96 1512 1298 A 51 GLU H A 50 SER HA 1.0 . 3.24 1513 1299 A 24 PRO HBy A 53 GLY H 1.0 . 3.86 1514 1300 A 24 PRO HBx A 53 GLY H 1.0 . 4.05 1515 1301 A 60 THR H A 59 THR HA 1.0 . 3.43 1516 1302 A 52 SER HA A 54 GLU H 1.0 . 4.66 1517 1303 A 52 SER HBy A 54 GLU H 1.0 . 3.84 1518 1304 A 13 MET HA A 55 LEU H 1.0 . 4.71 1519 1305 A 55 LEU H A 54 GLU H 1.0 . 4.49 1520 1306 A 58 LEU H A 59 THR HG2% 1.0 . 4.03 1521 1307 A 55 LEU HBy A 58 LEU H 1.0 . 4.89 1522 1308 A 58 LEU H A 58 LEU HBy 1.0 . 3.83 1523 1309 A 58 LEU HG A 58 LEU H 1.0 . 3.78 1524 1310 A 45 ALA HB% A 58 LEU H 1.0 . 4.70 1525 1311 A 58 LEU HBx A 58 LEU H 1.0 . 3.78 1526 1312 A 58 LEU HBy A 59 THR H 1.0 . 4.43 1527 1313 A 58 LEU HG A 59 THR H 1.0 . 5.49 1528 1314 A 45 ALA HB% A 59 THR H 1.0 . 4.80 1529 1315 A 58 LEU HBx A 59 THR H 1.0 . 4.33 1530 1316 A 53 GLY H A 54 GLU HA 1.0 . 5.32 1531 1317 A 60 THR H A 62 GLU H 1.0 . 4.73 1532 1318 A 60 THR HB A 62 GLU H 1.0 . 3.87 1533 1319 A 60 THR HA A 63 GLU H 1.0 . 5.17 1534 1320 A 63 GLU H A 64 PHE HB2 1.0 . 4.48 1535 1320 A 64 PHE HB3 A 63 GLU H 1.0 . 4.48 1536 1321 A 63 GLU H A 62 GLU HBx 1.0 . 4.52 1537 1322 A 65 VAL HGy% A 63 GLU H 1.0 . 5.09 1538 1323 A 61 GLU HA A 64 PHE H 1.0 . 4.75 1539 1324 A 65 VAL H A 64 PHE H 1.0 . 4.07 1540 1325 A 64 PHE H A 62 GLU H 1.0 . 4.53 1541 1326 A 65 VAL H A 64 PHE HB2 1.0 . 4.46 1542 1326 A 64 PHE HB3 A 65 VAL H 1.0 . 4.46 1543 1327 A 65 VAL H A 69 TYR HE% 1.0 . 4.52 1544 1327 A 65 VAL H A 69 TYR HD% 1.0 . 4.52 1545 1328 A 65 VAL HGy% A 67 GLY H 1.0 . 3.90 1546 1329 A 67 GLY H A 66 GLU HBy 1.0 . 3.95 1547 1330 A 66 GLU HBx A 67 GLY H 1.0 . 4.06 1548 1331 A 67 GLY H A 69 TYR HE% 1.0 . 4.43 1549 1331 A 69 TYR HD% A 67 GLY H 1.0 . 4.43 1550 1332 A 65 VAL H A 67 GLY H 1.0 . 5.45 1551 1333 A 68 ILE H A 34 ARG HGx 1.0 . 5.25 1552 1334 A 126 LYS H A 125 PRO HBy 1.0 . 3.86 1553 1335 A 126 LYS H A 125 PRO HBx 1.0 . 3.65 1554 1336 A 126 LYS HBx A 126 LYS H 1.0 . 3.57 1555 1337 A 126 LYS H A 126 LYS HD2 1.0 . 3.65 1556 1337 A 126 LYS H A 126 LYS HD3 1.0 . 3.65 1557 1338 A 68 ILE H A 96 THR HA 1.0 . 4.39 1558 1339 A 126 LYS H A 125 PRO HA 1.0 . 3.10 1559 1340 A 68 ILE H A 69 TYR HE% 1.0 . 4.41 1560 1340 A 68 ILE H A 69 TYR HD% 1.0 . 4.41 1561 1341 A 68 ILE H A 67 GLY H 1.0 . 3.98 1562 1342 A 68 ILE HG2% A 69 TYR H 1.0 . 3.34 1563 1343 A 109 ALA H A 107 ILE HG2% 1.0 . 3.98 1564 1344 A 68 ILE HB A 69 TYR H 1.0 . 4.35 1565 1345 A 96 THR HA A 69 TYR H 1.0 . 4.44 1566 1346 A 68 ILE HA A 69 TYR H 1.0 . 3.39 1567 1347 A 34 ARG HA A 69 TYR H 1.0 . 4.90 1568 1348 A 95 PHE H A 69 TYR H 1.0 . 4.00 1569 1349 A 32 VAL HA A 70 LYS H 1.0 . 5.10 1570 1350 A 33 PHE HA A 70 LYS H 1.0 . 5.44 1571 1351 A 69 TYR HA A 70 LYS H 1.0 . 3.30 1572 1352 A 34 ARG HA A 70 LYS H 1.0 . 3.94 1573 1353 A 33 PHE HBy A 70 LYS H 1.0 . 4.40 1574 1354 A 70 LYS H A 33 PHE HBx 1.0 . 4.12 1575 1355 A 69 TYR HBy A 70 LYS H 1.0 . 3.78 1576 1356 A 70 LYS H A 69 TYR HBx 1.0 . 4.21 1577 1357 A 32 VAL HGx% A 70 LYS H 1.0 . 3.85 1578 1358 A 71 VAL HGy% A 70 LYS H 1.0 . 4.51 1579 1359 A 70 LYS H A 70 LYS HBy 1.0 . 4.12 1580 1360 A 70 LYS H A 70 LYS HBx 1.0 . 4.12 1581 1361 A 71 VAL H A 70 LYS HBx 1.0 . 4.59 1582 1362 A 72 GLU H A 71 VAL HGy% 1.0 . 4.00 1583 1363 A 72 GLU H A 73 ILE HG1x 1.0 . 5.04 1584 1364 A 72 GLU H A 71 VAL HGx% 1.0 . 3.43 1585 1365 A 72 GLU H A 30 VAL HGx% 1.0 . 3.64 1586 1366 A 72 GLU H A 31 HIS HBy 1.0 . 4.42 1587 1367 A 71 VAL HA A 72 GLU H 1.0 . 3.45 1588 1368 A 72 GLU H A 32 VAL H 1.0 . 4.90 1589 1369 A 73 ILE H A 72 GLU HBy 1.0 . 4.47 1590 1370 A 73 ILE H A 72 GLU HBx 1.0 . 4.34 1591 1371 A 73 ILE H A 72 GLU HGx 1.0 . 4.52 1592 1372 A 73 ILE H A 92 GLU HBy 1.0 . 4.23 1593 1373 A 74 ASP H A 75 THR H 1.0 . 4.18 1594 1374 A 75 THR H A 74 ASP HA 1.0 . 3.25 1595 1375 A 75 THR H A 76 LYS HA 1.0 . 4.87 1596 1376 A 75 THR H A 74 ASP HBy 1.0 . 4.71 1597 1377 A 80 LYS H A 79 TRP H 1.0 . 3.60 1598 1378 A 81 ALA H A 79 TRP H 1.0 . 4.07 1599 1379 A 79 TRP H A 78 TYR H 1.0 . 3.60 1600 1380 A 76 LYS HA A 79 TRP H 1.0 . 4.68 1601 1381 A 79 TRP H A 77 SER HA 1.0 . 4.98 1602 1382 A 79 TRP H A 77 SER HB2 1.0 . 5.38 1603 1382 A 79 TRP H A 77 SER HB3 1.0 . 5.38 1604 1383 A 79 TRP H A 78 TYR HBy 1.0 . 4.31 1605 1384 A 79 TRP H A 78 TYR HBx 1.0 . 4.31 1606 1385 A 79 TRP H A 80 LYS HBy 1.0 . 4.71 1607 1386 A 84 ILE HB A 79 TRP H 1.0 . 5.26 1608 1387 A 79 TRP H A 76 LYS HD2 1.0 . 5.50 1609 1387 A 76 LYS HD3 A 79 TRP H 1.0 . 5.50 1610 1388 A 80 LYS HGy A 79 TRP H 1.0 . 4.85 1611 1389 A 81 ALA HB% A 79 TRP H 1.0 . 5.11 1612 1390 A 75 THR HG2% A 79 TRP H 1.0 . 5.50 1613 1391 A 80 LYS H A 80 LYS HGy 1.0 . 4.02 1614 1392 A 81 ALA H A 78 TYR HA 1.0 . 4.40 1615 1393 A 81 ALA H A 77 SER HB2 1.0 . 5.50 1616 1393 A 81 ALA H A 77 SER HB3 1.0 . 5.50 1617 1394 A 81 ALA H A 83 GLY HAx 1.0 . 5.50 1618 1395 A 81 ALA H A 80 LYS HE2 1.0 . 5.50 1619 1395 A 81 ALA H A 80 LYS HE3 1.0 . 5.50 1620 1396 A 82 LEU H A 84 ILE HD1% 1.0 . 4.51 1621 1397 A 80 LYS H A 83 GLY H 1.0 . 5.27 1622 1398 A 82 LEU HA A 84 ILE H 1.0 . 5.13 1623 1399 A 75 THR H A 90 HIS H 1.0 . 5.43 1624 1400 A 93 VAL H A 92 GLU HBy 1.0 . 3.75 1625 1401 A 93 VAL H A 93 VAL HGx% 1.0 . 4.03 1626 1402 A 93 VAL H A 107 ILE HG2% 1.0 . 4.23 1627 1403 A 95 PHE H A 95 PHE HE% 1.0 . 3.88 1628 1403 A 95 PHE H A 95 PHE HD% 1.0 . 3.88 1629 1404 A 95 PHE H A 69 TYR HE% 1.0 . 5.50 1630 1404 A 95 PHE H A 69 TYR HD% 1.0 . 5.50 1631 1405 A 95 PHE H A 96 THR H 1.0 . 4.59 1632 1406 A 95 PHE H A 94 VAL HA 1.0 . 3.28 1633 1407 A 95 PHE H A 68 ILE HA 1.0 . 4.48 1634 1408 A 95 PHE H A 94 VAL HB 1.0 . 4.50 1635 1409 A 95 PHE H A 69 TYR HBx 1.0 . 4.84 1636 1410 A 95 PHE H A 94 VAL HGy% 1.0 . 4.95 1637 1411 A 68 ILE HG2% A 96 THR H 1.0 . 4.92 1638 1412 A 107 ILE H A 14 VAL HA 1.0 . 4.07 1639 1413 A 111 LEU H A 110 MET H 1.0 . 4.65 1640 1414 A 108 ALA HB% A 110 MET H 1.0 . 4.98 1641 1415 A 114 TYR HD% A 114 TYR H 1.0 . 4.63 1642 1416 A 45 ALA H A 46 SER HBy 1.0 . 5.15 1643 1417 A 49 THR HG2% A 16 VAL H 1.0 . 3.96 1644 1418 A 17 LEU HA A 25 ALA H 1.0 . 4.09 1645 1419 A 27 ASN HA A 27 ASN HD2y 1.0 . 4.37 1646 1420 A 27 ASN HD2y A 48 LYS HE2 1.0 . 4.36 1647 1420 A 48 LYS HE3 A 27 ASN HD2y 1.0 . 4.36 1648 1421 A 27 ASN HBx A 27 ASN HD2y 1.0 . 3.25 1649 1422 A 48 LYS HDx A 27 ASN HD2y 1.0 . 4.18 1650 1423 A 26 ILE HD1% A 27 ASN HD2y 1.0 . 4.43 1651 1424 A 26 ILE HG2% A 27 ASN HD2y 1.0 . 3.72 1652 1425 A 27 ASN HBx A 27 ASN HD2x 1.0 . 3.84 1653 1426 A 48 LYS HDx A 27 ASN HD2x 1.0 . 4.58 1654 1427 A 26 ILE HG2% A 27 ASN HD2x 1.0 . 3.79 1655 1428 A 34 ARG HDy A 34 ARG HH1% 1.0 . 3.72 1656 1429 A 34 ARG HDx A 34 ARG HH1% 1.0 . 3.81 1657 1430 A 34 ARG HH1% A 34 ARG HBy 1.0 . 4.71 1658 1431 A 34 ARG HGy A 34 ARG HH1% 1.0 . 3.98 1659 1432 A 34 ARG HH1% A 34 ARG HBx 1.0 . 4.71 1660 1433 A 34 ARG HH1% A 34 ARG HGx 1.0 . 4.17 1661 1434 A 13 MET H A 12 LEU HG 1.0 . 4.91 1662 1435 A 8 SER H A 7 GLU H 1.0 . 4.65 1663 1436 A 14 VAL H A 55 LEU H 1.0 . 4.49 1664 1437 A 15 LYS H A 108 ALA HA 1.0 . 4.31 1665 1438 A 18 ASP H A 19 ALA H 1.0 . 5.14 1666 1439 A 18 ASP H A 16 VAL HGx% 1.0 . 4.92 1667 1440 A 17 LEU H A 25 ALA H 1.0 . 4.80 1668 1441 A 28 VAL HA A 27 ASN H 1.0 . 5.27 1669 1442 A 26 ILE HB A 27 ASN HD2x 1.0 . 5.50 1670 1443 A 26 ILE HD1% A 27 ASN HD2x 1.0 . 4.21 1671 1444 A 93 VAL H A 92 GLU HBx 1.0 . 3.90 1672 1445 A 31 HIS H A 30 VAL H 1.0 . 4.37 1673 1446 A 34 ARG HH1% A 44 PHE HE% 1.0 . 5.50 1674 1446 A 44 PHE HD% A 34 ARG HH1% 1.0 . 5.50 1675 1447 A 126 LYS HBy A 126 LYS H 1.0 . 3.72 1676 1448 A 70 LYS HA A 33 PHE H 1.0 . 4.80 1677 1449 A 70 LYS H A 69 TYR HE% 1.0 . 4.18 1678 1449 A 69 TYR HD% A 70 LYS H 1.0 . 4.18 1679 1450 A 52 SER H A 50 SER H 1.0 . 4.57 1680 1451 A 35 LYS HA A 41 TRP HA 1.0 . 3.80 1681 1452 A 92 GLU HA A 72 GLU HA 1.0 . 3.97 1682 1453 A 24 PRO HBy A 17 LEU HA 1.0 . 4.34 1683 1454 A 18 ASP HA A 17 LEU HBy 1.0 . 5.08 1684 1455 A 19 ALA HB% A 112 SER HB2 1.0 . 3.92 1685 1455 A 19 ALA HB% A 112 SER HB3 1.0 . 3.92 1686 1456 A 21 ARG HA A 21 ARG HD2 1.0 . 3.85 1687 1456 A 21 ARG HD3 A 21 ARG HA 1.0 . 3.85 1688 1457 A 21 ARG HBy A 21 ARG HD2 1.0 . 3.40 1689 1457 A 21 ARG HD3 A 21 ARG HBy 1.0 . 3.40 1690 1458 A 21 ARG HGx A 21 ARG HD2 1.0 . 2.99 1691 1458 A 21 ARG HGx A 21 ARG HD3 1.0 . 2.99 1692 1459 A 24 PRO HA A 17 LEU HDx% 1.0 . 4.98 1693 1460 A 24 PRO HA A 17 LEU HDy% 1.0 . 4.98 1694 1461 A 26 ILE HD1% A 26 ILE HA 1.0 . 3.44 1695 1462 A 27 ASN HBx A 48 LYS HDx 1.0 . 4.03 1696 1463 A 49 THR HA A 55 LEU HBx 1.0 . 4.44 1697 1464 A 28 VAL HGx% A 28 VAL HA 1.0 . 3.52 1698 1465 A 29 ALA HB% A 74 ASP HBy 1.0 . 3.25 1699 1466 A 29 ALA HB% A 74 ASP HBx 1.0 . 3.25 1700 1467 A 31 HIS HA A 30 VAL HGx% 1.0 . 4.46 1701 1468 A 34 ARG HDx A 34 ARG HBy 1.0 . 4.21 1702 1469 A 35 LYS HA A 35 LYS HD2 1.0 . 3.96 1703 1469 A 35 LYS HA A 35 LYS HD3 1.0 . 3.96 1704 1470 A 35 LYS HE3 A 35 LYS HG2 1.0 . 3.67 1705 1470 A 35 LYS HE2 A 35 LYS HG2 1.0 . 3.67 1706 1470 A 35 LYS HG3 A 35 LYS HE2 1.0 . 3.67 1707 1470 A 35 LYS HE3 A 35 LYS HG3 1.0 . 3.67 1708 1471 A 39 ASP HA A 35 LYS HD2 1.0 . 3.54 1709 1471 A 35 LYS HD3 A 39 ASP HA 1.0 . 3.54 1710 1472 A 39 ASP HA A 39 ASP HB2 1.0 . 2.99 1711 1472 A 39 ASP HB3 A 39 ASP HA 1.0 . 2.99 1712 1473 A 40 THR HA A 40 THR HG2% 1.0 . 3.05 1713 1474 A 20 VAL HB A 21 ARG HD2 1.0 . 4.31 1714 1474 A 21 ARG HD3 A 20 VAL HB 1.0 . 4.31 1715 1475 A 58 LEU HA A 45 ALA HA 1.0 . 5.50 1716 1476 A 48 LYS HA A 29 ALA HA 1.0 . 3.78 1717 1477 A 45 ALA HA A 46 SER HBx 1.0 . 4.53 1718 1478 A 31 HIS HA A 46 SER HBx 1.0 . 4.09 1719 1479 A 52 SER HA A 51 GLU HB2 1.0 . 4.41 1720 1479 A 52 SER HA A 51 GLU HB3 1.0 . 4.41 1721 1480 A 52 SER HA A 24 PRO HGx 1.0 . 4.07 1722 1481 A 55 LEU HA A 55 LEU HDy% 1.0 . 3.94 1723 1482 A 55 LEU HA A 55 LEU HDx% 1.0 . 3.94 1724 1483 A 23 SER HA A 24 PRO HDy 1.0 . 3.55 1725 1484 A 58 LEU HBy A 59 THR HG2% 1.0 . 5.50 1726 1485 A 58 LEU HBy A 58 LEU HDx% 1.0 . 3.46 1727 1486 A 59 THR HG2% A 59 THR HA 1.0 . 4.01 1728 1487 A 60 THR HG2% A 59 THR HA 1.0 . 3.97 1729 1488 A 60 THR HG2% A 60 THR HA 1.0 . 3.01 1730 1489 A 62 GLU HA A 61 GLU HG2 1.0 . 4.36 1731 1489 A 61 GLU HG3 A 62 GLU HA 1.0 . 4.36 1732 1490 A 63 GLU HA A 63 GLU HG2 1.0 . 3.46 1733 1490 A 63 GLU HG3 A 63 GLU HA 1.0 . 3.46 1734 1491 A 68 ILE HD1% A 68 ILE HA 1.0 . 3.86 1735 1492 A 68 ILE HD1% A 96 THR HA 1.0 . 4.11 1736 1493 A 76 LYS HA A 76 LYS HE2 1.0 . 4.75 1737 1493 A 76 LYS HA A 76 LYS HE3 1.0 . 4.75 1738 1494 A 76 LYS HB3 A 77 SER HB2 1.0 . 4.96 1739 1494 A 76 LYS HB2 A 77 SER HB2 1.0 . 4.96 1740 1494 A 77 SER HB3 A 76 LYS HB2 1.0 . 4.96 1741 1494 A 76 LYS HB3 A 77 SER HB3 1.0 . 4.96 1742 1495 A 80 LYS HA A 80 LYS HE2 1.0 . 4.42 1743 1495 A 80 LYS HA A 80 LYS HE3 1.0 . 4.42 1744 1496 A 80 LYS HGy A 80 LYS HE2 1.0 . 3.52 1745 1496 A 80 LYS HGy A 80 LYS HE3 1.0 . 3.52 1746 1497 A 84 ILE HG2% A 85 SER HA 1.0 . 4.50 1747 1498 A 93 VAL HGy% A 93 VAL HA 1.0 . 3.53 1748 1499 A 96 THR HA A 68 ILE HA 1.0 . 4.01 1749 1500 A 106 THR HG2% A 106 THR HA 1.0 . 3.36 1750 1501 A 106 THR HG2% A 15 LYS HD2 1.0 . 3.82 1751 1501 A 106 THR HG2% A 15 LYS HD3 1.0 . 3.82 1752 1502 A 106 THR HG2% A 13 MET HB2 1.0 . 3.74 1753 1502 A 106 THR HG2% A 13 MET HB3 1.0 . 3.74 1754 1503 A 107 ILE HD1% A 107 ILE HA 1.0 . 4.32 1755 1504 A 110 MET HE% A 22 GLY HAx 1.0 . 3.74 1756 1505 A 110 MET HE% A 22 GLY HAy 1.0 . 4.64 1757 1506 A 19 ALA HB% A 110 MET HE% 1.0 . 2.85 1758 1507 A 110 MET HE% A 110 MET HA 1.0 . 3.81 1759 1508 A 110 MET HGy A 110 MET HA 1.0 . 4.18 1760 1509 A 110 MET HE% A 19 ALA HA 1.0 . 3.26 1761 1510 A 111 LEU HDx% A 25 ALA HB% 1.0 . 4.14 1762 1511 A 28 VAL HGy% A 111 LEU HDx% 1.0 . 4.20 1763 1512 A 111 LEU HDx% A 18 ASP HA 1.0 . 4.45 1764 1513 A 111 LEU HDx% A 75 THR HB 1.0 . 4.51 1765 1514 A 75 THR HA A 111 LEU HDx% 1.0 . 5.08 1766 1515 A 114 TYR HD% A 114 TYR HA 1.0 . 4.09 1767 1516 A 114 TYR HA A 114 TYR HE% 1.0 . 4.63 1768 1517 A 2 PRO HD3 A 1 GLY HAy 1.0 . 3.33 1769 1517 A 1 GLY HAy A 2 PRO HD2 1.0 . 3.33 1770 1518 A 2 PRO HD3 A 1 GLY HAx 1.0 . 3.33 1771 1518 A 1 GLY HAx A 2 PRO HD2 1.0 . 3.33 1772 1519 A 3 THR HG2% A 2 PRO HA 1.0 . 4.46 1773 1520 A 13 MET HGy A 14 VAL HG2% 1.0 . 5.34 1774 1521 A 20 VAL HGx% A 21 ARG HBy 1.0 . 4.93 1775 1522 A 3 THR HA A 3 THR HB 1.0 . 2.64 1776 1523 A 5 THR HA A 5 THR HB 1.0 . 2.84 1777 1524 A 3 THR HG2% A 3 THR HA 1.0 . 2.90 1778 1525 A 5 THR HG2% A 5 THR HA 1.0 . 3.10 1779 1526 A 3 THR HB A 4 GLY HA2 1.0 . 4.43 1780 1526 A 4 GLY HA3 A 3 THR HB 1.0 . 4.43 1781 1527 A 3 THR HG2% A 2 PRO HBy 1.0 . 3.58 1782 1528 A 106 THR HB A 108 ALA HB% 1.0 . 5.00 1783 1529 A 21 ARG HGx A 21 ARG HA 1.0 . 3.76 1784 1530 A 20 VAL HGx% A 21 ARG HA 1.0 . 4.08 1785 1531 A 79 TRP HA A 84 ILE HB 1.0 . 4.20 1786 1532 A 8 SER HA A 9 LYS HD2 1.0 . 4.36 1787 1532 A 8 SER HA A 9 LYS HD3 1.0 . 4.36 1788 1533 A 8 SER HA A 9 LYS HE2 1.0 . 4.76 1789 1533 A 8 SER HA A 9 LYS HE3 1.0 . 4.76 1790 1534 A 8 SER HA A 8 SER HB2 1.0 . 2.67 1791 1534 A 8 SER HA A 8 SER HB3 1.0 . 2.67 1792 1535 A 9 LYS HA A 9 LYS HE2 1.0 . 4.24 1793 1535 A 9 LYS HA A 9 LYS HE3 1.0 . 4.24 1794 1536 A 9 LYS HE3 A 9 LYS HBy 1.0 . 4.50 1795 1536 A 9 LYS HBy A 9 LYS HE2 1.0 . 4.50 1796 1537 A 126 LYS HBy A 126 LYS HE2 1.0 . 4.92 1797 1537 A 126 LYS HBy A 126 LYS HE3 1.0 . 4.92 1798 1538 A 126 LYS HBy A 127 GLU HG2 1.0 . 4.98 1799 1538 A 126 LYS HBy A 127 GLU HG3 1.0 . 4.98 1800 1539 A 126 LYS HBx A 125 PRO HBy 1.0 . 4.66 1801 1540 A 9 LYS HE3 A 9 LYS HBx 1.0 . 4.50 1802 1540 A 9 LYS HBx A 9 LYS HE2 1.0 . 4.50 1803 1541 A 126 LYS HBx A 126 LYS HE2 1.0 . 4.66 1804 1541 A 126 LYS HBx A 126 LYS HE3 1.0 . 4.66 1805 1542 A 126 LYS HA A 126 LYS HD2 1.0 . 3.77 1806 1542 A 126 LYS HD3 A 126 LYS HA 1.0 . 3.77 1807 1543 A 8 SER HB2 A 9 LYS HE2 1.0 . 4.03 1808 1543 A 8 SER HB3 A 9 LYS HE2 1.0 . 4.03 1809 1543 A 9 LYS HE3 A 8 SER HB2 1.0 . 4.03 1810 1543 A 8 SER HB3 A 9 LYS HE3 1.0 . 4.03 1811 1544 A 76 LYS HE3 A 77 SER HB2 1.0 . 4.32 1812 1544 A 76 LYS HE2 A 77 SER HB2 1.0 . 4.32 1813 1544 A 77 SER HB3 A 76 LYS HE2 1.0 . 4.32 1814 1544 A 76 LYS HE3 A 77 SER HB3 1.0 . 4.32 1815 1545 A 9 LYS HD3 A 9 LYS HE2 1.0 . 2.61 1816 1545 A 9 LYS HD2 A 9 LYS HE2 1.0 . 2.61 1817 1545 A 9 LYS HE3 A 9 LYS HD2 1.0 . 2.61 1818 1545 A 9 LYS HD3 A 9 LYS HE3 1.0 . 2.61 1819 1546 A 126 LYS HD2 A 126 LYS HE2 1.0 . 2.80 1820 1546 A 126 LYS HD3 A 126 LYS HE2 1.0 . 2.80 1821 1546 A 126 LYS HE3 A 126 LYS HD2 1.0 . 2.80 1822 1546 A 126 LYS HD3 A 126 LYS HE3 1.0 . 2.80 1823 1547 A 10 CYS HA A 11 PRO HG2 1.0 . 4.54 1824 1547 A 11 PRO HG3 A 10 CYS HA 1.0 . 4.54 1825 1548 A 36 ALA HB% A 41 TRP HA 1.0 . 4.41 1826 1549 A 59 THR HG2% A 10 CYS HA 1.0 . 4.51 1827 1550 A 33 PHE HD% A 41 TRP HA 1.0 . 4.30 1828 1551 A 11 PRO HDy A 10 CYS HB2 1.0 . 4.55 1829 1551 A 10 CYS HB3 A 11 PRO HDy 1.0 . 4.55 1830 1552 A 76 LYS HGx A 74 ASP HA 1.0 . 4.81 1831 1553 A 34 ARG HA A 69 TYR HA 1.0 . 4.31 1832 1554 A 12 LEU HDy% A 12 LEU HBy 1.0 . 4.19 1833 1555 A 12 LEU H A 12 LEU HDx% 1.0 . 4.62 1834 1556 A 12 LEU HA A 12 LEU HDx% 1.0 . 4.06 1835 1557 A 13 MET HA A 12 LEU HDx% 1.0 . 4.54 1836 1558 A 81 ALA HA A 82 LEU HDy% 1.0 . 4.48 1837 1559 A 13 MET HA A 12 LEU HDy% 1.0 . 4.54 1838 1560 A 13 MET HA A 14 VAL HG2% 1.0 . 4.39 1839 1561 A 13 MET HA A 13 MET HE% 1.0 . 4.22 1840 1562 A 13 MET HGy A 13 MET HE% 1.0 . 3.25 1841 1563 A 13 MET HE% A 13 MET HGx 1.0 . 3.47 1842 1564 A 106 THR HB A 13 MET HGx 1.0 . 4.79 1843 1565 A 14 VAL HG1% A 49 THR HB 1.0 . 4.21 1844 1566 A 73 ILE HB A 72 GLU HA 1.0 . 4.65 1845 1567 A 29 ALA HA A 48 LYS HB2 1.0 . 4.28 1846 1567 A 48 LYS HB3 A 29 ALA HA 1.0 . 4.28 1847 1568 A 27 ASN HA A 48 LYS HB2 1.0 . 3.97 1848 1568 A 48 LYS HB3 A 27 ASN HA 1.0 . 3.97 1849 1569 A 13 MET HE% A 15 LYS HBx 1.0 . 4.02 1850 1570 A 27 ASN HBx A 48 LYS HDy 1.0 . 4.35 1851 1571 A 13 MET HE% A 15 LYS HD2 1.0 . 3.63 1852 1571 A 13 MET HE% A 15 LYS HD3 1.0 . 3.63 1853 1572 A 15 LYS HD2 A 15 LYS HE2 1.0 . 2.99 1854 1572 A 15 LYS HD3 A 15 LYS HE2 1.0 . 2.99 1855 1572 A 15 LYS HE3 A 15 LYS HD2 1.0 . 2.99 1856 1572 A 15 LYS HD3 A 15 LYS HE3 1.0 . 2.99 1857 1573 A 15 LYS HE3 A 15 LYS HG2 1.0 . 3.13 1858 1573 A 15 LYS HE2 A 15 LYS HG2 1.0 . 3.13 1859 1573 A 15 LYS HG3 A 15 LYS HE2 1.0 . 3.13 1860 1573 A 15 LYS HG3 A 15 LYS HE3 1.0 . 3.13 1861 1574 A 53 GLY HAy A 15 LYS HG2 1.0 . 4.73 1862 1574 A 53 GLY HAy A 15 LYS HG3 1.0 . 4.73 1863 1575 A 16 VAL HB A 15 LYS HA 1.0 . 4.78 1864 1576 A 16 VAL HGx% A 111 LEU HG 1.0 . 3.64 1865 1577 A 16 VAL HGx% A 110 MET HA 1.0 . 4.55 1866 1578 A 16 VAL HGx% A 16 VAL HA 1.0 . 3.52 1867 1579 A 49 THR HB A 16 VAL HGx% 1.0 . 4.66 1868 1580 A 111 LEU HDy% A 110 MET HBy 1.0 . 5.34 1869 1581 A 46 SER HA A 30 VAL HGx% 1.0 . 4.10 1870 1582 A 16 VAL HGy% A 16 VAL HA 1.0 . 3.43 1871 1583 A 49 THR HB A 16 VAL HGy% 1.0 . 4.04 1872 1584 A 32 VAL HA A 30 VAL HGx% 1.0 . 4.27 1873 1585 A 110 MET HGy A 17 LEU HBy 1.0 . 5.37 1874 1586 A 110 MET HE% A 17 LEU HBy 1.0 . 4.73 1875 1587 A 24 PRO HBy A 17 LEU HBy 1.0 . 4.60 1876 1588 A 17 LEU HA A 17 LEU HDy% 1.0 . 4.13 1877 1589 A 110 MET HGy A 17 LEU HDx% 1.0 . 4.22 1878 1590 A 110 MET HGy A 17 LEU HDy% 1.0 . 4.22 1879 1591 A 79 TRP HA A 84 ILE HG1y 1.0 . 4.16 1880 1592 A 17 LEU HG A 15 LYS HE2 1.0 . 4.42 1881 1592 A 17 LEU HG A 15 LYS HE3 1.0 . 4.42 1882 1593 A 17 LEU HG A 110 MET HE% 1.0 . 3.95 1883 1594 A 19 ALA HA A 20 VAL HA 1.0 . 4.96 1884 1595 A 19 ALA HB% A 20 VAL HGy% 1.0 . 3.84 1885 1596 A 19 ALA HB% A 110 MET HGy 1.0 . 3.70 1886 1597 A 19 ALA HB% A 110 MET HBy 1.0 . 3.72 1887 1598 A 19 ALA HB% A 110 MET HA 1.0 . 3.80 1888 1599 A 19 ALA HB% A 111 LEU HA 1.0 . 4.74 1889 1600 A 109 ALA HB% A 111 LEU HDx% 1.0 . 4.16 1890 1601 A 109 ALA HB% A 16 VAL HGy% 1.0 . 2.95 1891 1602 A 20 VAL HGy% A 21 ARG HD2 1.0 . 3.93 1892 1602 A 20 VAL HGy% A 21 ARG HD3 1.0 . 3.93 1893 1603 A 109 ALA HB% A 16 VAL HA 1.0 . 3.65 1894 1604 A 94 VAL HGx% A 41 TRP HZ2 1.0 . 3.65 1895 1605 A 20 VAL HGx% A 21 ARG HD2 1.0 . 3.72 1896 1605 A 20 VAL HGx% A 21 ARG HD3 1.0 . 3.72 1897 1606 A 71 VAL HGy% A 69 TYR HBy 1.0 . 3.52 1898 1607 A 21 ARG HBx A 21 ARG HD2 1.0 . 3.95 1899 1607 A 21 ARG HBx A 21 ARG HD3 1.0 . 3.95 1900 1608 A 21 ARG HD3 A 23 SER HBy 1.0 . 5.50 1901 1608 A 23 SER HBy A 21 ARG HD2 1.0 . 5.50 1902 1609 A 84 ILE HG2% A 21 ARG HD2 1.0 . 5.30 1903 1609 A 84 ILE HG2% A 21 ARG HD3 1.0 . 5.30 1904 1610 A 23 SER HA A 24 PRO HGx 1.0 . 4.62 1905 1611 A 24 PRO HGx A 23 SER HBy 1.0 . 5.29 1906 1612 A 24 PRO HGx A 23 SER HBx 1.0 . 5.29 1907 1613 A 21 ARG HBx A 23 SER HBx 1.0 . 4.52 1908 1614 A 17 LEU HA A 24 PRO HA 1.0 . 3.95 1909 1615 A 125 PRO HA A 126 LYS HD2 1.0 . 4.19 1910 1615 A 126 LYS HD3 A 125 PRO HA 1.0 . 4.19 1911 1616 A 53 GLY HAy A 24 PRO HBx 1.0 . 4.44 1912 1617 A 24 PRO HDy A 17 LEU HDx% 1.0 . 5.50 1913 1618 A 24 PRO HDy A 17 LEU HDy% 1.0 . 5.50 1914 1619 A 24 PRO HGy A 23 SER HA 1.0 . 4.69 1915 1620 A 16 VAL HGx% A 25 ALA HA 1.0 . 4.89 1916 1621 A 28 VAL HA A 25 ALA HB% 1.0 . 4.99 1917 1622 A 53 GLY HAx A 25 ALA HB% 1.0 . 5.50 1918 1623 A 26 ILE HD1% A 50 SER HA 1.0 . 4.42 1919 1624 A 26 ILE HD1% A 27 ASN HBy 1.0 . 5.34 1920 1625 A 26 ILE HD1% A 26 ILE HB 1.0 . 3.16 1921 1626 A 26 ILE HG2% A 26 ILE HA 1.0 . 3.19 1922 1627 A 26 ILE HG2% A 27 ASN HBy 1.0 . 3.65 1923 1628 A 27 ASN HA A 48 LYS HDx 1.0 . 3.57 1924 1629 A 27 ASN HBy A 48 LYS HDx 1.0 . 4.49 1925 1630 A 28 VAL HGx% A 74 ASP HBx 1.0 . 5.11 1926 1631 A 28 VAL HGy% A 111 LEU HG 1.0 . 4.28 1927 1632 A 32 VAL HGy% A 45 ALA HA 1.0 . 5.02 1928 1633 A 28 VAL HGx% A 29 ALA HA 1.0 . 4.90 1929 1634 A 30 VAL HA A 73 ILE HB 1.0 . 5.44 1930 1635 A 30 VAL HA A 73 ILE HG1x 1.0 . 4.24 1931 1636 A 125 PRO HBy A 126 LYS HG2 1.0 . 4.63 1932 1636 A 126 LYS HG3 A 125 PRO HBy 1.0 . 4.63 1933 1637 A 69 TYR HA A 32 VAL HGx% 1.0 . 4.04 1934 1638 A 32 VAL HGx% A 69 TYR HE% 1.0 . 3.88 1935 1638 A 69 TYR HD% A 32 VAL HGx% 1.0 . 3.88 1936 1639 A 71 VAL HA A 32 VAL HGy% 1.0 . 3.66 1937 1640 A 34 ARG HA A 69 TYR HE% 1.0 . 4.54 1938 1640 A 34 ARG HA A 69 TYR HD% 1.0 . 4.54 1939 1641 A 110 MET HA A 17 LEU HBy 1.0 . 5.50 1940 1642 A 34 ARG HA A 34 ARG HGy 1.0 . 4.25 1941 1643 A 72 GLU HA A 92 GLU HBx 1.0 . 4.41 1942 1644 A 35 LYS HA A 35 LYS HE2 1.0 . 4.80 1943 1644 A 35 LYS HA A 35 LYS HE3 1.0 . 4.80 1944 1645 A 39 ASP HA A 35 LYS HE2 1.0 . 3.59 1945 1645 A 35 LYS HE3 A 39 ASP HA 1.0 . 3.59 1946 1646 A 35 LYS HD3 A 35 LYS HE2 1.0 . 2.95 1947 1646 A 35 LYS HE3 A 35 LYS HD2 1.0 . 2.95 1948 1646 A 35 LYS HD3 A 35 LYS HE3 1.0 . 2.95 1949 1646 A 35 LYS HD2 A 35 LYS HE2 1.0 . 2.95 1950 1647 A 68 ILE HD1% A 35 LYS HE2 1.0 . 3.35 1951 1647 A 35 LYS HE3 A 68 ILE HD1% 1.0 . 3.35 1952 1648 A 34 ARG HDx A 35 LYS HG2 1.0 . 5.50 1953 1648 A 34 ARG HDx A 35 LYS HG3 1.0 . 5.50 1954 1649 A 36 ALA HA A 35 LYS HD2 1.0 . 4.56 1955 1649 A 35 LYS HD3 A 36 ALA HA 1.0 . 4.56 1956 1650 A 36 ALA HB% A 39 ASP HA 1.0 . 4.49 1957 1651 A 34 ARG HDx A 36 ALA HB% 1.0 . 4.92 1958 1652 A 36 ALA HB% A 42 GLU HG2 1.0 . 3.04 1959 1652 A 36 ALA HB% A 42 GLU HG3 1.0 . 3.04 1960 1653 A 36 ALA HB% A 42 GLU HBy 1.0 . 3.47 1961 1654 A 35 LYS HD2 A 39 ASP HB2 1.0 . 3.66 1962 1654 A 35 LYS HD3 A 39 ASP HB2 1.0 . 3.66 1963 1654 A 39 ASP HB3 A 35 LYS HD2 1.0 . 3.66 1964 1654 A 35 LYS HD3 A 39 ASP HB3 1.0 . 3.66 1965 1655 A 40 THR HA A 39 ASP HB2 1.0 . 4.64 1966 1655 A 39 ASP HB3 A 40 THR HA 1.0 . 4.64 1967 1656 A 36 ALA HB% A 40 THR HA 1.0 . 4.27 1968 1657 A 36 ALA HB% A 40 THR HG2% 1.0 . 3.11 1969 1658 A 96 THR HG2% A 99 ASP HBy 1.0 . 3.62 1970 1659 A 38 ASP HA A 40 THR HG2% 1.0 . 4.12 1971 1660 A 96 THR HG2% A 95 PHE HA 1.0 . 4.03 1972 1661 A 36 ALA HA A 42 GLU HG2 1.0 . 3.78 1973 1661 A 36 ALA HA A 42 GLU HG3 1.0 . 3.78 1974 1662 A 42 GLU HA A 43 PRO HGy 1.0 . 4.59 1975 1663 A 93 VAL HGx% A 107 ILE HA 1.0 . 4.51 1976 1664 A 44 PHE HA A 44 PHE HE% 1.0 . 3.92 1977 1664 A 44 PHE HD% A 44 PHE HA 1.0 . 3.92 1978 1665 A 45 ALA HB% A 44 PHE HA 1.0 . 4.37 1979 1666 A 45 ALA HB% A 59 THR HA 1.0 . 4.87 1980 1667 A 46 SER HBy A 58 LEU HDy% 1.0 . 5.50 1981 1668 A 31 HIS HA A 46 SER HBy 1.0 . 3.80 1982 1669 A 28 VAL HGx% A 48 LYS HA 1.0 . 4.55 1983 1670 A 48 LYS HA A 48 LYS HDy 1.0 . 4.63 1984 1671 A 48 LYS HDy A 27 ASN HA 1.0 . 4.11 1985 1672 A 26 ILE HG2% A 48 LYS HDx 1.0 . 5.11 1986 1673 A 29 ALA HA A 48 LYS HE2 1.0 . 4.72 1987 1673 A 48 LYS HE3 A 29 ALA HA 1.0 . 4.72 1988 1674 A 27 ASN HA A 48 LYS HE2 1.0 . 3.85 1989 1674 A 48 LYS HE3 A 27 ASN HA 1.0 . 3.85 1990 1675 A 48 LYS HB3 A 48 LYS HE2 1.0 . 2.70 1991 1675 A 48 LYS HB2 A 48 LYS HE2 1.0 . 2.70 1992 1675 A 48 LYS HE3 A 48 LYS HB2 1.0 . 2.70 1993 1675 A 48 LYS HE3 A 48 LYS HB3 1.0 . 2.70 1994 1676 A 48 LYS HDx A 48 LYS HE2 1.0 . 2.93 1995 1676 A 48 LYS HE3 A 48 LYS HDx 1.0 . 2.93 1996 1677 A 48 LYS HGy A 48 LYS HE2 1.0 . 3.07 1997 1677 A 48 LYS HE3 A 48 LYS HGy 1.0 . 3.07 1998 1678 A 48 LYS HGy A 29 ALA HA 1.0 . 4.21 1999 1679 A 48 LYS HGy A 27 ASN HA 1.0 . 4.74 2000 1680 A 28 VAL HA A 48 LYS HGy 1.0 . 5.44 2001 1681 A 48 LYS HA A 48 LYS HGy 1.0 . 3.99 2002 1682 A 49 THR HB A 28 VAL HB 1.0 . 4.48 2003 1683 A 30 VAL HB A 49 THR HG2% 1.0 . 3.83 2004 1684 A 49 THR HG2% A 54 GLU HA 1.0 . 5.50 2005 1685 A 30 VAL HA A 49 THR HG2% 1.0 . 5.13 2006 1686 A 49 THR HG2% A 29 ALA HA 1.0 . 5.35 2007 1687 A 49 THR HA A 49 THR HG2% 1.0 . 3.43 2008 1688 A 51 GLU HA A 24 PRO HBx 1.0 . 4.34 2009 1689 A 26 ILE HG2% A 51 GLU HB2 1.0 . 4.14 2010 1689 A 26 ILE HG2% A 51 GLU HB3 1.0 . 4.14 2011 1690 A 26 ILE HB A 51 GLU HB2 1.0 . 4.33 2012 1690 A 26 ILE HB A 51 GLU HB3 1.0 . 4.33 2013 1691 A 50 SER HA A 51 GLU HB2 1.0 . 4.76 2014 1691 A 51 GLU HB3 A 50 SER HA 1.0 . 4.76 2015 1692 A 52 SER HBx A 51 GLU HG2 1.0 . 4.00 2016 1692 A 51 GLU HG3 A 52 SER HBx 1.0 . 4.00 2017 1693 A 51 GLU HB2 A 51 GLU HG2 1.0 . 2.47 2018 1693 A 51 GLU HB3 A 51 GLU HG2 1.0 . 2.47 2019 1693 A 51 GLU HG3 A 51 GLU HB2 1.0 . 2.47 2020 1693 A 51 GLU HG3 A 51 GLU HB3 1.0 . 2.47 2021 1694 A 26 ILE HD1% A 51 GLU HG2 1.0 . 3.03 2022 1694 A 26 ILE HD1% A 51 GLU HG3 1.0 . 3.03 2023 1695 A 53 GLY HAx A 49 THR HG2% 1.0 . 4.49 2024 1696 A 55 LEU HBy A 58 LEU HG 1.0 . 5.19 2025 1697 A 55 LEU HBy A 14 VAL HG2% 1.0 . 4.23 2026 1698 A 58 LEU HBx A 55 LEU HBx 1.0 . 5.50 2027 1699 A 47 GLY HAx A 55 LEU HDx% 1.0 . 4.04 2028 1700 A 55 LEU HBy A 55 LEU HDy% 1.0 . 3.81 2029 1701 A 45 ALA HB% A 58 LEU HBy 1.0 . 4.42 2030 1702 A 46 SER HA A 58 LEU HDy% 1.0 . 4.20 2031 1703 A 60 THR HB A 61 GLU HB2 1.0 . 5.05 2032 1703 A 61 GLU HB3 A 60 THR HB 1.0 . 5.05 2033 1704 A 26 ILE HG1y A 51 GLU HB2 1.0 . 4.31 2034 1704 A 26 ILE HG1y A 51 GLU HB3 1.0 . 4.31 2035 1705 A 60 THR HB A 61 GLU HG2 1.0 . 4.16 2036 1705 A 61 GLU HG3 A 60 THR HB 1.0 . 4.16 2037 1706 A 65 VAL HGx% A 44 PHE HE% 1.0 . 4.74 2038 1706 A 44 PHE HD% A 65 VAL HGx% 1.0 . 4.74 2039 1707 A 65 VAL HGx% A 34 ARG HH1% 1.0 . 4.19 2040 1708 A 93 VAL HGx% A 93 VAL HA 1.0 . 3.10 2041 1709 A 65 VAL HGx% A 65 VAL HA 1.0 . 2.85 2042 1710 A 65 VAL HGx% A 62 GLU HA 1.0 . 3.60 2043 1711 A 93 VAL HGx% A 107 ILE HD1% 1.0 . 4.37 2044 1712 A 68 ILE HG2% A 35 LYS HE2 1.0 . 3.54 2045 1712 A 35 LYS HE3 A 68 ILE HG2% 1.0 . 3.54 2046 1713 A 65 VAL HGy% A 65 VAL HA 1.0 . 3.27 2047 1714 A 68 ILE HG2% A 96 THR HB 1.0 . 4.12 2048 1715 A 126 LYS HA A 126 LYS HG2 1.0 . 3.69 2049 1715 A 126 LYS HG3 A 126 LYS HA 1.0 . 3.69 2050 1716 A 73 ILE HG1x A 72 GLU HGy 1.0 . 5.50 2051 1717 A 35 LYS HA A 68 ILE HD1% 1.0 . 5.10 2052 1718 A 12 LEU HA A 11 PRO HG2 1.0 . 5.25 2053 1718 A 12 LEU HA A 11 PRO HG3 1.0 . 5.25 2054 1719 A 65 VAL HGy% A 34 ARG HH1% 1.0 . 3.57 2055 1720 A 34 ARG HA A 68 ILE HG2% 1.0 . 4.40 2056 1721 A 68 ILE HG2% A 96 THR HA 1.0 . 3.90 2057 1722 A 69 TYR HA A 71 VAL HGy% 1.0 . 5.50 2058 1723 A 94 VAL HB A 70 LYS HA 1.0 . 5.15 2059 1724 A 71 VAL HA A 32 VAL HGx% 1.0 . 4.16 2060 1725 A 71 VAL HB A 107 ILE HG2% 1.0 . 3.91 2061 1726 A 107 ILE HD1% A 71 VAL HGy% 1.0 . 3.49 2062 1727 A 94 VAL HGx% A 95 PHE HA 1.0 . 3.72 2063 1728 A 71 VAL HA A 71 VAL HGy% 1.0 . 3.39 2064 1729 A 32 VAL HA A 71 VAL HGy% 1.0 . 3.83 2065 1730 A 94 VAL HGx% A 41 TRP HH2 1.0 . 4.73 2066 1731 A 32 VAL HA A 71 VAL HGx% 1.0 . 4.03 2067 1732 A 71 VAL HA A 71 VAL HGx% 1.0 . 3.49 2068 1733 A 107 ILE HD1% A 71 VAL HGx% 1.0 . 3.67 2069 1734 A 64 PHE HA A 64 PHE HD% 1.0 . 4.40 2070 1735 A 31 HIS HBy A 72 GLU HBx 1.0 . 4.53 2071 1736 A 126 LYS HG2 A 127 GLU HG2 1.0 . 4.20 2072 1736 A 126 LYS HG3 A 127 GLU HG2 1.0 . 4.20 2073 1736 A 127 GLU HG3 A 126 LYS HG2 1.0 . 4.20 2074 1736 A 126 LYS HG3 A 127 GLU HG3 1.0 . 4.20 2075 1737 A 126 LYS HE3 A 127 GLU HG2 1.0 . 5.04 2076 1737 A 127 GLU HG3 A 126 LYS HE2 1.0 . 5.04 2077 1737 A 126 LYS HE3 A 127 GLU HG3 1.0 . 5.04 2078 1737 A 126 LYS HE2 A 127 GLU HG2 1.0 . 5.04 2079 1738 A 73 ILE HD1% A 73 ILE HA 1.0 . 3.84 2080 1739 A 73 ILE HD1% A 111 LEU HDx% 1.0 . 4.38 2081 1740 A 30 VAL HGy% A 73 ILE HG1x 1.0 . 4.29 2082 1741 A 28 VAL HA A 73 ILE HG2% 1.0 . 4.31 2083 1742 A 73 ILE HG2% A 49 THR HG2% 1.0 . 4.05 2084 1743 A 73 ILE HB A 75 THR HG2% 1.0 . 4.05 2085 1744 A 75 THR HG2% A 90 HIS HBx 1.0 . 4.55 2086 1745 A 75 THR HG2% A 90 HIS HA 1.0 . 4.26 2087 1746 A 76 LYS HB3 A 76 LYS HD2 1.0 . 3.09 2088 1746 A 76 LYS HB2 A 76 LYS HD2 1.0 . 3.09 2089 1746 A 76 LYS HD3 A 76 LYS HB2 1.0 . 3.09 2090 1746 A 76 LYS HD3 A 76 LYS HB3 1.0 . 3.09 2091 1747 A 76 LYS HD3 A 76 LYS HE2 1.0 . 2.91 2092 1747 A 76 LYS HD2 A 76 LYS HE2 1.0 . 2.91 2093 1747 A 76 LYS HE3 A 76 LYS HD2 1.0 . 2.91 2094 1747 A 76 LYS HD3 A 76 LYS HE3 1.0 . 2.91 2095 1748 A 77 SER HA A 76 LYS HD2 1.0 . 3.54 2096 1748 A 76 LYS HD3 A 77 SER HA 1.0 . 3.54 2097 1749 A 80 LYS HGx A 77 SER HA 1.0 . 3.60 2098 1750 A 80 LYS HBx A 77 SER HA 1.0 . 4.80 2099 1751 A 76 LYS HGx A 77 SER HB2 1.0 . 4.59 2100 1751 A 76 LYS HGx A 77 SER HB3 1.0 . 4.59 2101 1752 A 79 TRP HA A 84 ILE HG2% 1.0 . 4.81 2102 1753 A 77 SER HA A 80 LYS HBy 1.0 . 3.97 2103 1754 A 80 LYS HBy A 77 SER HB2 1.0 . 5.22 2104 1754 A 77 SER HB3 A 80 LYS HBy 1.0 . 5.22 2105 1755 A 80 LYS HBy A 80 LYS HD2 1.0 . 3.52 2106 1755 A 80 LYS HD3 A 80 LYS HBy 1.0 . 3.52 2107 1756 A 77 SER HB3 A 80 LYS HD2 1.0 . 4.74 2108 1756 A 77 SER HB2 A 80 LYS HD2 1.0 . 4.74 2109 1756 A 80 LYS HD3 A 77 SER HB2 1.0 . 4.74 2110 1756 A 80 LYS HD3 A 77 SER HB3 1.0 . 4.74 2111 1757 A 81 ALA HA A 80 LYS HD2 1.0 . 4.17 2112 1757 A 80 LYS HD3 A 81 ALA HA 1.0 . 4.17 2113 1758 A 80 LYS HGy A 81 ALA HA 1.0 . 4.36 2114 1759 A 81 ALA HB% A 82 LEU HA 1.0 . 4.11 2115 1760 A 81 ALA HB% A 80 LYS HBy 1.0 . 5.39 2116 1761 A 81 ALA HB% A 80 LYS HD2 1.0 . 3.90 2117 1761 A 80 LYS HD3 A 81 ALA HB% 1.0 . 3.90 2118 1762 A 81 ALA HB% A 82 LEU HDy% 1.0 . 4.01 2119 1763 A 27 ASN HBy A 82 LEU HDx% 1.0 . 4.88 2120 1764 A 81 ALA H A 82 LEU HDx% 1.0 . 4.80 2121 1765 A 84 ILE HA A 84 ILE HD1% 1.0 . 3.44 2122 1766 A 87 MET HE% A 114 TYR HBx 1.0 . 4.44 2123 1767 A 87 MET HE% A 114 TYR HE% 1.0 . 3.97 2124 1768 A 93 VAL HB A 107 ILE HG2% 1.0 . 4.32 2125 1769 A 93 VAL HGy% A 107 ILE HD1% 1.0 . 4.54 2126 1770 A 93 VAL HA A 94 VAL HGy% 1.0 . 3.88 2127 1771 A 68 ILE HG2% A 95 PHE HA 1.0 . 5.05 2128 1772 A 110 MET HE% A 110 MET HGy 1.0 . 3.19 2129 1773 A 110 MET HE% A 18 ASP HA 1.0 . 4.67 2130 1774 A 110 MET HBx A 111 LEU HA 1.0 . 4.80 2131 1775 A 111 LEU HA A 111 LEU HDy% 1.0 . 3.59 2132 1776 A 127 GLU HA A 127 GLU HG2 1.0 . 3.33 2133 1776 A 127 GLU HA A 127 GLU HG3 1.0 . 3.33 2134 1777 A 127 GLU HA A 126 LYS HG2 1.0 . 4.40 2135 1777 A 126 LYS HG3 A 127 GLU HA 1.0 . 4.40 2136 1778 A 40 THR HG2% A 38 ASP HBy 1.0 . 4.32 2137 1779 A 46 SER HA A 58 LEU HDx% 1.0 . 4.20 2138 1780 A 16 VAL HB A 109 ALA HB% 1.0 . 4.41 2139 1781 A 80 LYS HD3 A 80 LYS HE2 1.0 . 2.46 2140 1781 A 80 LYS HD2 A 80 LYS HE2 1.0 . 2.46 2141 1781 A 80 LYS HE3 A 80 LYS HD2 1.0 . 2.46 2142 1781 A 80 LYS HD3 A 80 LYS HE3 1.0 . 2.46 2143 1782 A 13 MET HGy A 106 THR HG2% 1.0 . 3.84 2144 1783 A 17 LEU HG A 110 MET HA 1.0 . 5.04 2145 1784 A 80 LYS HBy A 80 LYS HE2 1.0 . 3.23 2146 1784 A 80 LYS HE3 A 80 LYS HBy 1.0 . 3.23 2147 1785 A 47 GLY HAy A 48 LYS HE2 1.0 . 4.48 2148 1785 A 48 LYS HE3 A 47 GLY HAy 1.0 . 4.48 2149 1786 A 13 MET HE% A 54 GLU HA 1.0 . 4.31 2150 1787 A 106 THR HG2% A 13 MET HE% 1.0 . 2.97 2151 1788 A 68 ILE HA A 68 ILE HG1x 1.0 . 4.20 2152 1789 A 68 ILE HA A 68 ILE HG1y 1.0 . 4.20 2153 1790 A 93 VAL HGy% A 95 PHE HE% 1.0 . 4.15 2154 1790 A 93 VAL HGy% A 95 PHE HD% 1.0 . 4.15 2155 1791 A 33 PHE HE% A 31 HIS HA 1.0 . 4.36 2156 1792 A 14 VAL HG2% A 32 VAL HGx% 1.0 . 4.66 2157 1793 A 33 PHE HA A 32 VAL HGx% 1.0 . 4.55 2158 1794 A 44 PHE HBy A 45 ALA HA 1.0 . 5.05 2159 1795 A 47 GLY HAy A 55 LEU HDy% 1.0 . 4.43 2160 1796 A 48 LYS HDy A 29 ALA HA 1.0 . 4.25 2161 1797 A 94 VAL HGy% A 92 GLU HBx 1.0 . 3.64 2162 1798 A 1 GLY HAy A 2 PRO HGy 1.0 . 4.51 2163 1798 A 1 GLY HAx A 2 PRO HGy 1.0 . 4.51 2164 1798 A 2 PRO HGx A 1 GLY HAx 1.0 . 4.51 2165 1798 A 1 GLY HAy A 2 PRO HGx 1.0 . 4.51 2166 1799 A 1 GLY HAy A 2 PRO HD2 1.0 . 2.79 2167 1799 A 1 GLY HAx A 2 PRO HD2 1.0 . 2.79 2168 1799 A 2 PRO HD3 A 1 GLY HAx 1.0 . 2.79 2169 1799 A 2 PRO HD3 A 1 GLY HAy 1.0 . 2.79 2170 1800 A 3 THR H A 2 PRO HGy 1.0 . 4.36 2171 1800 A 3 THR H A 2 PRO HGx 1.0 . 4.36 2172 1801 A 7 GLU H A 7 GLU HBx 1.0 . 3.00 2173 1801 A 7 GLU H A 7 GLU HBy 1.0 . 3.00 2174 1802 A 7 GLU HBy A 7 GLU HG2 1.0 . 2.29 2175 1802 A 7 GLU HBx A 7 GLU HG2 1.0 . 2.29 2176 1802 A 7 GLU HG3 A 7 GLU HBx 1.0 . 2.29 2177 1802 A 7 GLU HG3 A 7 GLU HBy 1.0 . 2.29 2178 1803 A 8 SER H A 7 GLU HBx 1.0 . 3.80 2179 1803 A 8 SER H A 7 GLU HBy 1.0 . 3.80 2180 1804 A 8 SER HA A 7 GLU HBx 1.0 . 4.83 2181 1804 A 8 SER HA A 7 GLU HBy 1.0 . 4.83 2182 1805 A 7 GLU HBx A 8 SER HB2 1.0 . 4.77 2183 1805 A 7 GLU HBy A 8 SER HB2 1.0 . 4.77 2184 1805 A 8 SER HB3 A 7 GLU HBx 1.0 . 4.77 2185 1805 A 8 SER HB3 A 7 GLU HBy 1.0 . 4.77 2186 1806 A 8 SER HA A 9 LYS HGy 1.0 . 4.85 2187 1806 A 8 SER HA A 9 LYS HGx 1.0 . 4.85 2188 1807 A 8 SER HB3 A 9 LYS HBx 1.0 . 4.75 2189 1807 A 8 SER HB2 A 9 LYS HBx 1.0 . 4.75 2190 1807 A 9 LYS HBy A 8 SER HB2 1.0 . 4.75 2191 1807 A 8 SER HB3 A 9 LYS HBy 1.0 . 4.75 2192 1808 A 9 LYS H A 9 LYS HBx 1.0 . 3.33 2193 1808 A 9 LYS H A 9 LYS HBy 1.0 . 3.33 2194 1809 A 9 LYS H A 9 LYS HGy 1.0 . 3.39 2195 1809 A 9 LYS H A 9 LYS HGx 1.0 . 3.39 2196 1810 A 9 LYS HA A 9 LYS HGy 1.0 . 3.42 2197 1810 A 9 LYS HA A 9 LYS HGx 1.0 . 3.42 2198 1811 A 9 LYS HBx A 9 LYS HD2 1.0 . 3.59 2199 1811 A 9 LYS HBy A 9 LYS HD2 1.0 . 3.59 2200 1811 A 9 LYS HD3 A 9 LYS HBx 1.0 . 3.59 2201 1811 A 9 LYS HD3 A 9 LYS HBy 1.0 . 3.59 2202 1812 A 9 LYS HBy A 9 LYS HE2 1.0 . 3.96 2203 1812 A 9 LYS HBx A 9 LYS HE2 1.0 . 3.96 2204 1812 A 9 LYS HE3 A 9 LYS HBx 1.0 . 3.96 2205 1812 A 9 LYS HE3 A 9 LYS HBy 1.0 . 3.96 2206 1813 A 10 CYS H A 9 LYS HBx 1.0 . 3.49 2207 1813 A 10 CYS H A 9 LYS HBy 1.0 . 3.49 2208 1814 A 9 LYS HBx A 10 CYS HB2 1.0 . 4.60 2209 1814 A 9 LYS HBy A 10 CYS HB2 1.0 . 4.60 2210 1814 A 10 CYS HB3 A 9 LYS HBx 1.0 . 4.60 2211 1814 A 10 CYS HB3 A 9 LYS HBy 1.0 . 4.60 2212 1815 A 9 LYS HE3 A 9 LYS HGy 1.0 . 2.93 2213 1815 A 9 LYS HE2 A 9 LYS HGy 1.0 . 2.93 2214 1815 A 9 LYS HGx A 9 LYS HE2 1.0 . 2.93 2215 1815 A 9 LYS HE3 A 9 LYS HGx 1.0 . 2.93 2216 1816 A 10 CYS H A 9 LYS HGy 1.0 . 3.99 2217 1816 A 10 CYS H A 9 LYS HGx 1.0 . 3.99 2218 1817 A 11 PRO HDy A 12 LEU HDx% 1.0 . 5.44 2219 1817 A 11 PRO HDy A 12 LEU HDy% 1.0 . 5.44 2220 1818 A 12 LEU H A 12 LEU HBy 1.0 . 3.34 2221 1818 A 12 LEU H A 12 LEU HBx 1.0 . 3.34 2222 1819 A 12 LEU H A 12 LEU HDx% 1.0 . 3.87 2223 1819 A 12 LEU H A 12 LEU HDy% 1.0 . 3.87 2224 1820 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.21 2225 1820 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.21 2226 1821 A 12 LEU HBx A 12 LEU HDx% 1.0 . 2.73 2227 1821 A 12 LEU HBy A 12 LEU HDx% 1.0 . 2.73 2228 1821 A 12 LEU HDy% A 12 LEU HBy 1.0 . 2.73 2229 1821 A 12 LEU HDy% A 12 LEU HBx 1.0 . 2.73 2230 1822 A 59 THR HG2% A 12 LEU HBy 1.0 . 4.27 2231 1822 A 59 THR HG2% A 12 LEU HBx 1.0 . 4.27 2232 1823 A 13 MET H A 12 LEU HDx% 1.0 . 3.40 2233 1823 A 13 MET H A 12 LEU HDy% 1.0 . 3.40 2234 1824 A 13 MET HA A 12 LEU HDx% 1.0 . 3.79 2235 1824 A 13 MET HA A 12 LEU HDy% 1.0 . 3.79 2236 1825 A 12 LEU HDy% A 13 MET HB2 1.0 . 4.82 2237 1825 A 12 LEU HDx% A 13 MET HB2 1.0 . 4.82 2238 1825 A 13 MET HB3 A 12 LEU HDx% 1.0 . 4.82 2239 1825 A 13 MET HB3 A 12 LEU HDy% 1.0 . 4.82 2240 1826 A 13 MET HGx A 12 LEU HDx% 1.0 . 4.86 2241 1826 A 13 MET HGx A 12 LEU HDy% 1.0 . 4.86 2242 1827 A 32 VAL HB A 12 LEU HDx% 1.0 . 4.89 2243 1827 A 32 VAL HB A 12 LEU HDy% 1.0 . 4.89 2244 1828 A 32 VAL HGx% A 12 LEU HDx% 1.0 . 3.09 2245 1828 A 32 VAL HGx% A 12 LEU HDy% 1.0 . 3.09 2246 1829 A 32 VAL HGy% A 12 LEU HDx% 1.0 . 3.30 2247 1829 A 32 VAL HGy% A 12 LEU HDy% 1.0 . 3.30 2248 1830 A 59 THR HA A 12 LEU HDx% 1.0 . 4.21 2249 1830 A 59 THR HA A 12 LEU HDy% 1.0 . 4.21 2250 1831 A 69 TYR HBy A 12 LEU HDx% 1.0 . 5.26 2251 1831 A 69 TYR HBy A 12 LEU HDy% 1.0 . 5.26 2252 1832 A 12 LEU HDy% A 69 TYR HE% 1.0 . 4.74 2253 1832 A 12 LEU HDx% A 69 TYR HE% 1.0 . 4.74 2254 1832 A 69 TYR HD% A 12 LEU HDx% 1.0 . 4.74 2255 1832 A 69 TYR HD% A 12 LEU HDy% 1.0 . 4.74 2256 1833 A 71 VAL HGy% A 12 LEU HDx% 1.0 . 3.95 2257 1833 A 71 VAL HGy% A 12 LEU HDy% 1.0 . 3.95 2258 1834 A 12 LEU HDy% A 105 TYR HBy 1.0 . 3.71 2259 1834 A 12 LEU HDx% A 105 TYR HBy 1.0 . 3.71 2260 1834 A 105 TYR HBx A 12 LEU HDx% 1.0 . 3.71 2261 1834 A 12 LEU HDy% A 105 TYR HBx 1.0 . 3.71 2262 1835 A 107 ILE H A 12 LEU HDx% 1.0 . 4.17 2263 1835 A 107 ILE H A 12 LEU HDy% 1.0 . 4.17 2264 1836 A 13 MET H A 105 TYR HBy 1.0 . 4.72 2265 1836 A 13 MET H A 105 TYR HBx 1.0 . 4.72 2266 1837 A 14 VAL HB A 58 LEU HDx% 1.0 . 3.92 2267 1837 A 14 VAL HB A 58 LEU HDy% 1.0 . 3.92 2268 1838 A 14 VAL HG2% A 107 ILE HG1x 1.0 . 3.68 2269 1838 A 14 VAL HG2% A 107 ILE HG1y 1.0 . 3.68 2270 1839 A 15 LYS HG2 A 17 LEU HDx% 1.0 . 3.25 2271 1839 A 15 LYS HG3 A 17 LEU HDx% 1.0 . 3.25 2272 1839 A 17 LEU HDy% A 15 LYS HG2 1.0 . 3.25 2273 1839 A 15 LYS HG3 A 17 LEU HDy% 1.0 . 3.25 2274 1840 A 15 LYS HD2 A 17 LEU HDx% 1.0 . 4.01 2275 1840 A 15 LYS HD3 A 17 LEU HDx% 1.0 . 4.01 2276 1840 A 17 LEU HDy% A 15 LYS HD2 1.0 . 4.01 2277 1840 A 15 LYS HD3 A 17 LEU HDy% 1.0 . 4.01 2278 1841 A 15 LYS HE2 A 17 LEU HDx% 1.0 . 3.26 2279 1841 A 15 LYS HE3 A 17 LEU HDx% 1.0 . 3.26 2280 1841 A 17 LEU HDy% A 15 LYS HE2 1.0 . 3.26 2281 1841 A 15 LYS HE3 A 17 LEU HDy% 1.0 . 3.26 2282 1842 A 16 VAL H A 17 LEU HDx% 1.0 . 5.42 2283 1842 A 16 VAL H A 17 LEU HDy% 1.0 . 5.42 2284 1843 A 17 LEU H A 17 LEU HDx% 1.0 . 4.11 2285 1843 A 17 LEU H A 17 LEU HDy% 1.0 . 4.11 2286 1844 A 17 LEU HA A 17 LEU HDx% 1.0 . 3.36 2287 1844 A 17 LEU HA A 17 LEU HDy% 1.0 . 3.36 2288 1845 A 17 LEU HA A 18 ASP HBx 1.0 . 4.45 2289 1845 A 17 LEU HA A 18 ASP HBy 1.0 . 4.45 2290 1846 A 17 LEU HBy A 17 LEU HDx% 1.0 . 3.05 2291 1846 A 17 LEU HBy A 17 LEU HDy% 1.0 . 3.05 2292 1847 A 17 LEU HBx A 17 LEU HDx% 1.0 . 3.05 2293 1847 A 17 LEU HBx A 17 LEU HDy% 1.0 . 3.05 2294 1848 A 18 ASP H A 17 LEU HDx% 1.0 . 3.57 2295 1848 A 18 ASP H A 17 LEU HDy% 1.0 . 3.57 2296 1849 A 17 LEU HDx% A 18 ASP HBx 1.0 . 4.00 2297 1849 A 18 ASP HBy A 17 LEU HDx% 1.0 . 4.00 2298 1849 A 17 LEU HDy% A 18 ASP HBy 1.0 . 4.00 2299 1849 A 17 LEU HDy% A 18 ASP HBx 1.0 . 4.00 2300 1850 A 19 ALA HA A 17 LEU HDx% 1.0 . 3.68 2301 1850 A 19 ALA HA A 17 LEU HDy% 1.0 . 3.68 2302 1851 A 19 ALA HB% A 17 LEU HDx% 1.0 . 3.78 2303 1851 A 19 ALA HB% A 17 LEU HDy% 1.0 . 3.78 2304 1852 A 20 VAL H A 17 LEU HDx% 1.0 . 4.76 2305 1852 A 20 VAL H A 17 LEU HDy% 1.0 . 4.76 2306 1853 A 21 ARG H A 17 LEU HDx% 1.0 . 4.73 2307 1853 A 21 ARG H A 17 LEU HDy% 1.0 . 4.73 2308 1854 A 22 GLY H A 17 LEU HDx% 1.0 . 4.13 2309 1854 A 22 GLY H A 17 LEU HDy% 1.0 . 4.13 2310 1855 A 22 GLY HAx A 17 LEU HDx% 1.0 . 3.55 2311 1855 A 22 GLY HAx A 17 LEU HDy% 1.0 . 3.55 2312 1856 A 22 GLY HAy A 17 LEU HDx% 1.0 . 3.94 2313 1856 A 22 GLY HAy A 17 LEU HDy% 1.0 . 3.94 2314 1857 A 23 SER H A 17 LEU HDx% 1.0 . 4.20 2315 1857 A 23 SER H A 17 LEU HDy% 1.0 . 4.20 2316 1858 A 23 SER HA A 17 LEU HDx% 1.0 . 4.38 2317 1858 A 23 SER HA A 17 LEU HDy% 1.0 . 4.38 2318 1859 A 24 PRO HA A 17 LEU HDx% 1.0 . 4.24 2319 1859 A 24 PRO HA A 17 LEU HDy% 1.0 . 4.24 2320 1860 A 110 MET HA A 17 LEU HDx% 1.0 . 3.54 2321 1860 A 110 MET HA A 17 LEU HDy% 1.0 . 3.54 2322 1861 A 110 MET HBy A 17 LEU HDx% 1.0 . 4.81 2323 1861 A 110 MET HBy A 17 LEU HDy% 1.0 . 4.81 2324 1862 A 110 MET HBx A 17 LEU HDx% 1.0 . 3.75 2325 1862 A 110 MET HBx A 17 LEU HDy% 1.0 . 3.75 2326 1863 A 110 MET HGy A 17 LEU HDx% 1.0 . 3.55 2327 1863 A 110 MET HGy A 17 LEU HDy% 1.0 . 3.55 2328 1864 A 110 MET HE% A 17 LEU HDx% 1.0 . 2.77 2329 1864 A 110 MET HE% A 17 LEU HDy% 1.0 . 2.77 2330 1865 A 20 VAL H A 18 ASP HBx 1.0 . 4.16 2331 1865 A 20 VAL H A 18 ASP HBy 1.0 . 4.16 2332 1866 A 20 VAL HGx% A 18 ASP HBx 1.0 . 4.61 2333 1866 A 20 VAL HGx% A 18 ASP HBy 1.0 . 4.61 2334 1867 A 20 VAL HGy% A 18 ASP HBx 1.0 . 4.06 2335 1867 A 20 VAL HGy% A 18 ASP HBy 1.0 . 4.06 2336 1868 A 23 SER H A 18 ASP HBx 1.0 . 3.98 2337 1868 A 23 SER H A 18 ASP HBy 1.0 . 3.98 2338 1869 A 20 VAL HGx% A 113 PRO HDy 1.0 . 4.29 2339 1869 A 20 VAL HGx% A 113 PRO HDx 1.0 . 4.29 2340 1870 A 20 VAL HGy% A 85 SER HBy 1.0 . 5.01 2341 1870 A 20 VAL HGy% A 85 SER HBx 1.0 . 5.01 2342 1871 A 20 VAL HGy% A 113 PRO HDy 1.0 . 3.78 2343 1871 A 20 VAL HGy% A 113 PRO HDx 1.0 . 3.78 2344 1872 A 21 ARG HBx A 23 SER HBx 1.0 . 3.98 2345 1872 A 21 ARG HBx A 23 SER HBy 1.0 . 3.98 2346 1873 A 21 ARG HD2 A 23 SER HBx 1.0 . 4.79 2347 1873 A 21 ARG HD3 A 23 SER HBx 1.0 . 4.79 2348 1873 A 23 SER HBy A 21 ARG HD2 1.0 . 4.79 2349 1873 A 21 ARG HD3 A 23 SER HBy 1.0 . 4.79 2350 1874 A 24 PRO HGy A 23 SER HBx 1.0 . 4.00 2351 1874 A 24 PRO HGy A 23 SER HBy 1.0 . 4.00 2352 1875 A 24 PRO HGx A 23 SER HBx 1.0 . 4.60 2353 1875 A 24 PRO HGx A 23 SER HBy 1.0 . 4.60 2354 1876 A 26 ILE HD1% A 50 SER HBy 1.0 . 4.30 2355 1876 A 26 ILE HD1% A 50 SER HBx 1.0 . 4.30 2356 1877 A 28 VAL HGx% A 78 TYR HBx 1.0 . 4.23 2357 1877 A 28 VAL HGx% A 78 TYR HBy 1.0 . 4.23 2358 1878 A 28 VAL HGy% A 78 TYR HBx 1.0 . 3.70 2359 1878 A 28 VAL HGy% A 78 TYR HBy 1.0 . 3.70 2360 1879 A 29 ALA H A 74 ASP HBx 1.0 . 4.07 2361 1879 A 29 ALA H A 74 ASP HBy 1.0 . 4.07 2362 1880 A 29 ALA HA A 55 LEU HDx% 1.0 . 5.23 2363 1880 A 29 ALA HA A 55 LEU HDy% 1.0 . 5.23 2364 1881 A 29 ALA HB% A 74 ASP HBx 1.0 . 2.82 2365 1881 A 29 ALA HB% A 74 ASP HBy 1.0 . 2.82 2366 1882 A 30 VAL H A 55 LEU HDx% 1.0 . 4.36 2367 1882 A 30 VAL H A 55 LEU HDy% 1.0 . 4.36 2368 1883 A 30 VAL HB A 55 LEU HDx% 1.0 . 3.49 2369 1883 A 30 VAL HB A 55 LEU HDy% 1.0 . 3.49 2370 1884 A 30 VAL HB A 58 LEU HDx% 1.0 . 3.89 2371 1884 A 30 VAL HB A 58 LEU HDy% 1.0 . 3.89 2372 1885 A 30 VAL HGx% A 72 GLU HGy 1.0 . 4.73 2373 1885 A 30 VAL HGx% A 72 GLU HGx 1.0 . 4.73 2374 1886 A 31 HIS H A 58 LEU HDx% 1.0 . 5.38 2375 1886 A 31 HIS H A 58 LEU HDy% 1.0 . 5.38 2376 1887 A 31 HIS H A 72 GLU HGy 1.0 . 4.54 2377 1887 A 31 HIS H A 72 GLU HGx 1.0 . 4.54 2378 1888 A 31 HIS HA A 58 LEU HDx% 1.0 . 4.48 2379 1888 A 31 HIS HA A 58 LEU HDy% 1.0 . 4.48 2380 1889 A 31 HIS HA A 72 GLU HGy 1.0 . 5.34 2381 1889 A 31 HIS HA A 72 GLU HGx 1.0 . 5.34 2382 1890 A 31 HIS HBx A 72 GLU HGy 1.0 . 4.72 2383 1890 A 31 HIS HBx A 72 GLU HGx 1.0 . 4.72 2384 1891 A 32 VAL H A 58 LEU HDx% 1.0 . 3.95 2385 1891 A 32 VAL H A 58 LEU HDy% 1.0 . 3.95 2386 1892 A 32 VAL HB A 58 LEU HDx% 1.0 . 4.21 2387 1892 A 32 VAL HB A 58 LEU HDy% 1.0 . 4.21 2388 1893 A 32 VAL HGy% A 58 LEU HDx% 1.0 . 3.12 2389 1893 A 32 VAL HGy% A 58 LEU HDy% 1.0 . 3.12 2390 1894 A 33 PHE H A 70 LYS HBx 1.0 . 4.21 2391 1894 A 33 PHE H A 70 LYS HBy 1.0 . 4.21 2392 1895 A 34 ARG H A 70 LYS HEy 1.0 . 4.59 2393 1895 A 34 ARG H A 70 LYS HEx 1.0 . 4.59 2394 1896 A 34 ARG HA A 35 LYS HBy 1.0 . 4.96 2395 1896 A 34 ARG HA A 35 LYS HBx 1.0 . 4.96 2396 1897 A 34 ARG HDy A 34 ARG HBy 1.0 . 3.64 2397 1897 A 34 ARG HDy A 34 ARG HBx 1.0 . 3.64 2398 1898 A 35 LYS H A 34 ARG HBy 1.0 . 3.80 2399 1898 A 35 LYS H A 34 ARG HBx 1.0 . 3.80 2400 1899 A 44 PHE H A 34 ARG HBy 1.0 . 5.18 2401 1899 A 44 PHE H A 34 ARG HBx 1.0 . 5.18 2402 1900 A 44 PHE HA A 34 ARG HBy 1.0 . 4.71 2403 1900 A 44 PHE HA A 34 ARG HBx 1.0 . 4.71 2404 1901 A 65 VAL HGy% A 34 ARG HBy 1.0 . 4.03 2405 1901 A 65 VAL HGy% A 34 ARG HBx 1.0 . 4.03 2406 1902 A 69 TYR HA A 34 ARG HBy 1.0 . 5.34 2407 1902 A 69 TYR HA A 34 ARG HBx 1.0 . 5.34 2408 1903 A 34 ARG HDx A 35 LYS HBy 1.0 . 5.09 2409 1903 A 34 ARG HDx A 35 LYS HBx 1.0 . 5.09 2410 1904 A 34 ARG HDy A 35 LYS HBy 1.0 . 4.90 2411 1904 A 34 ARG HDy A 35 LYS HBx 1.0 . 4.90 2412 1905 A 34 ARG HH1% A 35 LYS HBy 1.0 . 4.33 2413 1905 A 34 ARG HH1% A 35 LYS HBx 1.0 . 4.33 2414 1906 A 35 LYS H A 70 LYS HEy 1.0 . 3.41 2415 1906 A 35 LYS H A 70 LYS HEx 1.0 . 3.41 2416 1907 A 35 LYS HA A 70 LYS HEy 1.0 . 4.24 2417 1907 A 35 LYS HA A 70 LYS HEx 1.0 . 4.24 2418 1908 A 35 LYS HBy A 35 LYS HD2 1.0 . 3.22 2419 1908 A 35 LYS HBx A 35 LYS HD2 1.0 . 3.22 2420 1908 A 35 LYS HD3 A 35 LYS HBy 1.0 . 3.22 2421 1908 A 35 LYS HD3 A 35 LYS HBx 1.0 . 3.22 2422 1909 A 35 LYS HBx A 35 LYS HE2 1.0 . 3.61 2423 1909 A 35 LYS HBy A 35 LYS HE2 1.0 . 3.61 2424 1909 A 35 LYS HE3 A 35 LYS HBy 1.0 . 3.61 2425 1909 A 35 LYS HE3 A 35 LYS HBx 1.0 . 3.61 2426 1910 A 36 ALA H A 35 LYS HBy 1.0 . 4.45 2427 1910 A 36 ALA H A 35 LYS HBx 1.0 . 4.45 2428 1911 A 39 ASP HA A 35 LYS HBy 1.0 . 5.24 2429 1911 A 39 ASP HA A 35 LYS HBx 1.0 . 5.24 2430 1912 A 68 ILE HB A 35 LYS HBy 1.0 . 4.19 2431 1912 A 68 ILE HB A 35 LYS HBx 1.0 . 4.19 2432 1913 A 68 ILE HG2% A 35 LYS HBy 1.0 . 3.14 2433 1913 A 68 ILE HG2% A 35 LYS HBx 1.0 . 3.14 2434 1914 A 68 ILE HD1% A 35 LYS HBy 1.0 . 2.54 2435 1914 A 68 ILE HD1% A 35 LYS HBx 1.0 . 2.54 2436 1915 A 35 LYS HBy A 70 LYS HEy 1.0 . 4.17 2437 1915 A 35 LYS HBx A 70 LYS HEy 1.0 . 4.17 2438 1915 A 70 LYS HEx A 35 LYS HBy 1.0 . 4.17 2439 1915 A 70 LYS HEx A 35 LYS HBx 1.0 . 4.17 2440 1916 A 36 ALA HB% A 38 ASP HBx 1.0 . 4.21 2441 1916 A 36 ALA HB% A 38 ASP HBy 1.0 . 4.21 2442 1917 A 37 ALA H A 38 ASP HBx 1.0 . 4.47 2443 1917 A 37 ALA H A 38 ASP HBy 1.0 . 4.47 2444 1918 A 37 ALA HB% A 38 ASP HBx 1.0 . 4.15 2445 1918 A 37 ALA HB% A 38 ASP HBy 1.0 . 4.15 2446 1919 A 38 ASP H A 38 ASP HBx 1.0 . 3.09 2447 1919 A 38 ASP H A 38 ASP HBy 1.0 . 3.09 2448 1920 A 38 ASP HBy A 39 ASP HB2 1.0 . 4.56 2449 1920 A 38 ASP HBx A 39 ASP HB2 1.0 . 4.56 2450 1920 A 39 ASP HB3 A 38 ASP HBx 1.0 . 4.56 2451 1920 A 39 ASP HB3 A 38 ASP HBy 1.0 . 4.56 2452 1921 A 40 THR HG2% A 38 ASP HBx 1.0 . 3.59 2453 1921 A 40 THR HG2% A 38 ASP HBy 1.0 . 3.59 2454 1922 A 41 TRP HA A 70 LYS HDy 1.0 . 4.91 2455 1922 A 41 TRP HA A 70 LYS HDx 1.0 . 4.91 2456 1923 A 41 TRP HA A 70 LYS HEy 1.0 . 4.06 2457 1923 A 41 TRP HA A 70 LYS HEx 1.0 . 4.06 2458 1924 A 41 TRP HE1 A 70 LYS HDy 1.0 . 4.88 2459 1924 A 41 TRP HE1 A 70 LYS HDx 1.0 . 4.88 2460 1925 A 44 PHE HE% A 58 LEU HDx% 1.0 . 4.96 2461 1925 A 44 PHE HD% A 58 LEU HDx% 1.0 . 4.96 2462 1925 A 58 LEU HDy% A 44 PHE HE% 1.0 . 4.96 2463 1925 A 44 PHE HD% A 58 LEU HDy% 1.0 . 4.96 2464 1926 A 45 ALA HA A 58 LEU HDx% 1.0 . 4.53 2465 1926 A 45 ALA HA A 58 LEU HDy% 1.0 . 4.53 2466 1927 A 45 ALA HB% A 58 LEU HDx% 1.0 . 2.76 2467 1927 A 45 ALA HB% A 58 LEU HDy% 1.0 . 2.76 2468 1928 A 46 SER H A 58 LEU HDx% 1.0 . 3.22 2469 1928 A 46 SER H A 58 LEU HDy% 1.0 . 3.22 2470 1929 A 46 SER HA A 58 LEU HDx% 1.0 . 3.62 2471 1929 A 46 SER HA A 58 LEU HDy% 1.0 . 3.62 2472 1930 A 46 SER HBy A 58 LEU HDx% 1.0 . 4.68 2473 1930 A 46 SER HBy A 58 LEU HDy% 1.0 . 4.68 2474 1931 A 46 SER HBx A 58 LEU HDx% 1.0 . 4.65 2475 1931 A 46 SER HBx A 58 LEU HDy% 1.0 . 4.65 2476 1932 A 47 GLY H A 55 LEU HDx% 1.0 . 3.78 2477 1932 A 47 GLY H A 55 LEU HDy% 1.0 . 3.78 2478 1933 A 47 GLY H A 58 LEU HDx% 1.0 . 3.30 2479 1933 A 47 GLY H A 58 LEU HDy% 1.0 . 3.30 2480 1934 A 47 GLY HAy A 55 LEU HDx% 1.0 . 3.87 2481 1934 A 47 GLY HAy A 55 LEU HDy% 1.0 . 3.87 2482 1935 A 47 GLY HAy A 58 LEU HDx% 1.0 . 3.87 2483 1935 A 47 GLY HAy A 58 LEU HDy% 1.0 . 3.87 2484 1936 A 47 GLY HAx A 55 LEU HDx% 1.0 . 3.31 2485 1936 A 47 GLY HAx A 55 LEU HDy% 1.0 . 3.31 2486 1937 A 47 GLY HAx A 58 LEU HDx% 1.0 . 3.19 2487 1937 A 47 GLY HAx A 58 LEU HDy% 1.0 . 3.19 2488 1938 A 48 LYS H A 55 LEU HDx% 1.0 . 2.89 2489 1938 A 48 LYS H A 55 LEU HDy% 1.0 . 2.89 2490 1939 A 48 LYS HA A 55 LEU HDx% 1.0 . 4.54 2491 1939 A 48 LYS HA A 55 LEU HDy% 1.0 . 4.54 2492 1940 A 48 LYS HB2 A 55 LEU HDx% 1.0 . 3.92 2493 1940 A 48 LYS HB3 A 55 LEU HDx% 1.0 . 3.92 2494 1940 A 55 LEU HDy% A 48 LYS HB2 1.0 . 3.92 2495 1940 A 48 LYS HB3 A 55 LEU HDy% 1.0 . 3.92 2496 1941 A 48 LYS HE3 A 55 LEU HDx% 1.0 . 5.28 2497 1941 A 48 LYS HE2 A 55 LEU HDx% 1.0 . 5.28 2498 1941 A 55 LEU HDy% A 48 LYS HE2 1.0 . 5.28 2499 1941 A 48 LYS HE3 A 55 LEU HDy% 1.0 . 5.28 2500 1942 A 49 THR H A 55 LEU HDx% 1.0 . 3.72 2501 1942 A 49 THR H A 55 LEU HDy% 1.0 . 3.72 2502 1943 A 49 THR HA A 50 SER HBy 1.0 . 4.80 2503 1943 A 49 THR HA A 50 SER HBx 1.0 . 4.80 2504 1944 A 49 THR HA A 55 LEU HDx% 1.0 . 4.23 2505 1944 A 49 THR HA A 55 LEU HDy% 1.0 . 4.23 2506 1945 A 49 THR HB A 55 LEU HDx% 1.0 . 5.14 2507 1945 A 49 THR HB A 55 LEU HDy% 1.0 . 5.14 2508 1946 A 51 GLU H A 50 SER HBy 1.0 . 3.14 2509 1946 A 51 GLU H A 50 SER HBx 1.0 . 3.14 2510 1947 A 50 SER HBx A 51 GLU HG2 1.0 . 4.13 2511 1947 A 50 SER HBy A 51 GLU HG2 1.0 . 4.13 2512 1947 A 51 GLU HG3 A 50 SER HBy 1.0 . 4.13 2513 1947 A 51 GLU HG3 A 50 SER HBx 1.0 . 4.13 2514 1948 A 52 SER HBy A 54 GLU HGy 1.0 . 4.13 2515 1948 A 52 SER HBy A 54 GLU HGx 1.0 . 4.13 2516 1949 A 54 GLU H A 54 GLU HGy 1.0 . 3.48 2517 1949 A 54 GLU H A 54 GLU HGx 1.0 . 3.48 2518 1950 A 55 LEU H A 54 GLU HGy 1.0 . 4.68 2519 1950 A 55 LEU H A 54 GLU HGx 1.0 . 4.68 2520 1951 A 55 LEU H A 55 LEU HDx% 1.0 . 3.96 2521 1951 A 55 LEU H A 55 LEU HDy% 1.0 . 3.96 2522 1952 A 55 LEU HBx A 58 LEU HDx% 1.0 . 4.76 2523 1952 A 55 LEU HBx A 58 LEU HDy% 1.0 . 4.76 2524 1953 A 55 LEU HBy A 58 LEU HDx% 1.0 . 4.64 2525 1953 A 55 LEU HBy A 58 LEU HDy% 1.0 . 4.64 2526 1954 A 58 LEU H A 55 LEU HDx% 1.0 . 5.40 2527 1954 A 58 LEU H A 55 LEU HDy% 1.0 . 5.40 2528 1955 A 58 LEU HBy A 55 LEU HDx% 1.0 . 5.22 2529 1955 A 58 LEU HBy A 55 LEU HDy% 1.0 . 5.22 2530 1956 A 58 LEU HG A 55 LEU HDx% 1.0 . 3.73 2531 1956 A 58 LEU HG A 55 LEU HDy% 1.0 . 3.73 2532 1957 A 55 LEU HDx% A 58 LEU HDx% 1.0 . 2.78 2533 1957 A 55 LEU HDy% A 58 LEU HDx% 1.0 . 2.78 2534 1957 A 58 LEU HDy% A 55 LEU HDx% 1.0 . 2.78 2535 1957 A 58 LEU HDy% A 55 LEU HDy% 1.0 . 2.78 2536 1958 A 58 LEU HA A 57 GLY HAy 1.0 . 4.41 2537 1958 A 58 LEU HA A 57 GLY HAx 1.0 . 4.41 2538 1959 A 59 THR H A 57 GLY HAy 1.0 . 4.57 2539 1959 A 59 THR H A 57 GLY HAx 1.0 . 4.57 2540 1960 A 58 LEU H A 58 LEU HDx% 1.0 . 3.42 2541 1960 A 58 LEU H A 58 LEU HDy% 1.0 . 3.42 2542 1961 A 58 LEU HA A 58 LEU HDx% 1.0 . 3.30 2543 1961 A 58 LEU HA A 58 LEU HDy% 1.0 . 3.30 2544 1962 A 58 LEU HBx A 58 LEU HDx% 1.0 . 3.04 2545 1962 A 58 LEU HBx A 58 LEU HDy% 1.0 . 3.04 2546 1963 A 58 LEU HBy A 58 LEU HDx% 1.0 . 3.01 2547 1963 A 58 LEU HBy A 58 LEU HDy% 1.0 . 3.01 2548 1964 A 59 THR H A 58 LEU HDx% 1.0 . 4.55 2549 1964 A 59 THR H A 58 LEU HDy% 1.0 . 4.55 2550 1965 A 60 THR HB A 62 GLU HBx 1.0 . 4.03 2551 1965 A 60 THR HB A 62 GLU HBy 1.0 . 4.03 2552 1966 A 60 THR HB A 62 GLU HGx 1.0 . 4.20 2553 1966 A 60 THR HB A 62 GLU HGy 1.0 . 4.20 2554 1967 A 60 THR HG2% A 62 GLU HBx 1.0 . 4.71 2555 1967 A 60 THR HG2% A 62 GLU HBy 1.0 . 4.71 2556 1968 A 60 THR HG2% A 62 GLU HGx 1.0 . 5.11 2557 1968 A 60 THR HG2% A 62 GLU HGy 1.0 . 5.11 2558 1969 A 62 GLU H A 62 GLU HBx 1.0 . 2.98 2559 1969 A 62 GLU H A 62 GLU HBy 1.0 . 2.98 2560 1970 A 62 GLU H A 62 GLU HGx 1.0 . 3.70 2561 1970 A 62 GLU H A 62 GLU HGy 1.0 . 3.70 2562 1971 A 62 GLU HA A 62 GLU HGx 1.0 . 3.50 2563 1971 A 62 GLU HA A 62 GLU HGy 1.0 . 3.50 2564 1972 A 65 VAL HGy% A 62 GLU HBx 1.0 . 4.36 2565 1972 A 65 VAL HGy% A 62 GLU HBy 1.0 . 4.36 2566 1973 A 63 GLU H A 62 GLU HGx 1.0 . 5.04 2567 1973 A 63 GLU H A 62 GLU HGy 1.0 . 5.04 2568 1974 A 65 VAL HGx% A 62 GLU HGx 1.0 . 4.37 2569 1974 A 65 VAL HGx% A 62 GLU HGy 1.0 . 4.37 2570 1975 A 65 VAL HGy% A 62 GLU HGx 1.0 . 5.34 2571 1975 A 65 VAL HGy% A 62 GLU HGy 1.0 . 5.34 2572 1976 A 65 VAL HA A 66 GLU HGy 1.0 . 4.47 2573 1976 A 65 VAL HA A 66 GLU HGx 1.0 . 4.47 2574 1977 A 65 VAL HGy% A 66 GLU HGy 1.0 . 4.83 2575 1977 A 65 VAL HGy% A 66 GLU HGx 1.0 . 4.83 2576 1978 A 65 VAL HGy% A 67 GLY HAy 1.0 . 3.94 2577 1978 A 65 VAL HGy% A 67 GLY HAx 1.0 . 3.94 2578 1979 A 66 GLU H A 66 GLU HGy 1.0 . 3.46 2579 1979 A 66 GLU H A 66 GLU HGx 1.0 . 3.46 2580 1980 A 66 GLU HA A 66 GLU HGy 1.0 . 3.14 2581 1980 A 66 GLU HA A 66 GLU HGx 1.0 . 3.14 2582 1981 A 66 GLU HA A 67 GLY HAy 1.0 . 4.70 2583 1981 A 66 GLU HA A 67 GLY HAx 1.0 . 4.70 2584 1982 A 67 GLY H A 66 GLU HGy 1.0 . 4.41 2585 1982 A 67 GLY H A 66 GLU HGx 1.0 . 4.41 2586 1983 A 97 ALA HB% A 66 GLU HGy 1.0 . 5.34 2587 1983 A 97 ALA HB% A 66 GLU HGx 1.0 . 5.34 2588 1984 A 67 GLY H A 68 ILE HG1x 1.0 . 4.16 2589 1984 A 67 GLY H A 68 ILE HG1y 1.0 . 4.16 2590 1985 A 68 ILE H A 67 GLY HAy 1.0 . 3.04 2591 1985 A 68 ILE H A 67 GLY HAx 1.0 . 3.04 2592 1986 A 97 ALA HB% A 67 GLY HAy 1.0 . 5.15 2593 1986 A 97 ALA HB% A 67 GLY HAx 1.0 . 5.15 2594 1987 A 68 ILE H A 68 ILE HG1x 1.0 . 3.27 2595 1987 A 68 ILE H A 68 ILE HG1y 1.0 . 3.27 2596 1988 A 68 ILE HA A 68 ILE HG1x 1.0 . 3.51 2597 1988 A 68 ILE HA A 68 ILE HG1y 1.0 . 3.51 2598 1989 A 68 ILE HB A 70 LYS HEy 1.0 . 5.34 2599 1989 A 68 ILE HB A 70 LYS HEx 1.0 . 5.34 2600 1990 A 68 ILE HG2% A 68 ILE HG1x 1.0 . 3.23 2601 1990 A 68 ILE HG2% A 68 ILE HG1y 1.0 . 3.23 2602 1991 A 68 ILE HG2% A 70 LYS HDy 1.0 . 4.37 2603 1991 A 68 ILE HG2% A 70 LYS HDx 1.0 . 4.37 2604 1992 A 97 ALA HA A 68 ILE HG1x 1.0 . 4.85 2605 1992 A 97 ALA HA A 68 ILE HG1y 1.0 . 4.85 2606 1993 A 70 LYS H A 70 LYS HBx 1.0 . 3.44 2607 1993 A 70 LYS H A 70 LYS HBy 1.0 . 3.44 2608 1994 A 70 LYS H A 70 LYS HDy 1.0 . 3.69 2609 1994 A 70 LYS H A 70 LYS HDx 1.0 . 3.69 2610 1995 A 70 LYS H A 70 LYS HEy 1.0 . 3.94 2611 1995 A 70 LYS H A 70 LYS HEx 1.0 . 3.94 2612 1996 A 70 LYS HBy A 70 LYS HEy 1.0 . 3.84 2613 1996 A 70 LYS HBx A 70 LYS HEy 1.0 . 3.84 2614 1996 A 70 LYS HEx A 70 LYS HBx 1.0 . 3.84 2615 1996 A 70 LYS HBy A 70 LYS HEx 1.0 . 3.84 2616 1997 A 71 VAL H A 70 LYS HBx 1.0 . 4.02 2617 1997 A 71 VAL H A 70 LYS HBy 1.0 . 4.02 2618 1998 A 94 VAL HGy% A 70 LYS HBx 1.0 . 3.45 2619 1998 A 94 VAL HGy% A 70 LYS HBy 1.0 . 3.45 2620 1999 A 94 VAL HGx% A 70 LYS HDy 1.0 . 4.57 2621 1999 A 94 VAL HGx% A 70 LYS HDx 1.0 . 4.57 2622 2000 A 71 VAL H A 107 ILE HG1x 1.0 . 4.87 2623 2000 A 71 VAL H A 107 ILE HG1y 1.0 . 4.87 2624 2001 A 71 VAL HB A 107 ILE HG1x 1.0 . 4.24 2625 2001 A 71 VAL HB A 107 ILE HG1y 1.0 . 4.24 2626 2002 A 71 VAL HGx% A 72 GLU HGy 1.0 . 5.23 2627 2002 A 71 VAL HGx% A 72 GLU HGx 1.0 . 5.23 2628 2003 A 71 VAL HGx% A 107 ILE HG1x 1.0 . 3.27 2629 2003 A 71 VAL HGx% A 107 ILE HG1y 1.0 . 3.27 2630 2004 A 71 VAL HGy% A 107 ILE HG1x 1.0 . 2.99 2631 2004 A 71 VAL HGy% A 107 ILE HG1y 1.0 . 2.99 2632 2005 A 72 GLU HA A 72 GLU HGy 1.0 . 3.73 2633 2005 A 72 GLU HA A 72 GLU HGx 1.0 . 3.73 2634 2006 A 72 GLU HA A 92 GLU HGy 1.0 . 4.88 2635 2006 A 72 GLU HA A 92 GLU HGx 1.0 . 4.88 2636 2007 A 73 ILE HG2% A 74 ASP HBx 1.0 . 4.15 2637 2007 A 73 ILE HG2% A 74 ASP HBy 1.0 . 4.15 2638 2008 A 73 ILE HG2% A 90 HIS HBx 1.0 . 4.70 2639 2008 A 73 ILE HG2% A 90 HIS HBy 1.0 . 4.70 2640 2009 A 75 THR H A 74 ASP HBx 1.0 . 4.01 2641 2009 A 75 THR H A 74 ASP HBy 1.0 . 4.01 2642 2010 A 75 THR HG2% A 90 HIS HBx 1.0 . 3.94 2643 2010 A 75 THR HG2% A 90 HIS HBy 1.0 . 3.94 2644 2011 A 78 TYR H A 79 TRP HBx 1.0 . 4.83 2645 2011 A 78 TYR H A 79 TRP HBy 1.0 . 4.83 2646 2012 A 79 TRP H A 78 TYR HBx 1.0 . 3.44 2647 2012 A 79 TRP H A 78 TYR HBy 1.0 . 3.44 2648 2013 A 82 LEU HDy% A 78 TYR HBx 1.0 . 4.80 2649 2013 A 82 LEU HDy% A 78 TYR HBy 1.0 . 4.80 2650 2014 A 79 TRP H A 79 TRP HBx 1.0 . 3.35 2651 2014 A 79 TRP H A 79 TRP HBy 1.0 . 3.35 2652 2015 A 80 LYS H A 79 TRP HBx 1.0 . 4.39 2653 2015 A 80 LYS H A 79 TRP HBy 1.0 . 4.39 2654 2016 A 84 ILE HB A 79 TRP HBx 1.0 . 4.50 2655 2016 A 84 ILE HB A 79 TRP HBy 1.0 . 4.50 2656 2017 A 84 ILE HG2% A 79 TRP HBx 1.0 . 3.89 2657 2017 A 84 ILE HG2% A 79 TRP HBy 1.0 . 3.89 2658 2018 A 84 ILE HA A 85 SER HBy 1.0 . 4.73 2659 2018 A 84 ILE HA A 85 SER HBx 1.0 . 4.73 2660 2019 A 84 ILE HG2% A 85 SER HBy 1.0 . 4.30 2661 2019 A 84 ILE HG2% A 85 SER HBx 1.0 . 4.30 2662 2020 A 85 SER H A 85 SER HBy 1.0 . 3.22 2663 2020 A 85 SER H A 85 SER HBx 1.0 . 3.22 2664 2021 A 87 MET HE% A 114 TYR HBx 1.0 . 3.73 2665 2021 A 87 MET HE% A 114 TYR HBy 1.0 . 3.73 2666 2022 A 92 GLU H A 92 GLU HGy 1.0 . 4.13 2667 2022 A 92 GLU H A 92 GLU HGx 1.0 . 4.13 2668 2023 A 92 GLU HA A 92 GLU HGy 1.0 . 3.68 2669 2023 A 92 GLU HA A 92 GLU HGx 1.0 . 3.68 2670 2024 A 93 VAL HB A 107 ILE HG1x 1.0 . 4.21 2671 2024 A 93 VAL HB A 107 ILE HG1y 1.0 . 4.21 2672 2025 A 93 VAL HGx% A 95 PHE HBy 1.0 . 4.91 2673 2025 A 93 VAL HGx% A 95 PHE HBx 1.0 . 4.91 2674 2026 A 93 VAL HGy% A 107 ILE HG1x 1.0 . 3.51 2675 2026 A 93 VAL HGy% A 107 ILE HG1y 1.0 . 3.51 2676 2027 A 96 THR H A 95 PHE HBy 1.0 . 3.41 2677 2027 A 96 THR H A 95 PHE HBx 1.0 . 3.41 2678 2028 A 96 THR HG2% A 99 ASP HBx 1.0 . 3.14 2679 2028 A 96 THR HG2% A 99 ASP HBy 1.0 . 3.14 2680 2029 A 97 ALA HA A 99 ASP HBx 1.0 . 5.03 2681 2029 A 97 ALA HA A 99 ASP HBy 1.0 . 5.03 2682 2030 A 107 ILE H A 107 ILE HG1x 1.0 . 3.81 2683 2030 A 107 ILE H A 107 ILE HG1y 1.0 . 3.81 2684 2031 A 107 ILE HA A 107 ILE HG1x 1.0 . 3.53 2685 2031 A 107 ILE HA A 107 ILE HG1y 1.0 . 3.53 2686 2032 A 107 ILE HG2% A 107 ILE HG1x 1.0 . 3.13 2687 2032 A 107 ILE HG2% A 107 ILE HG1y 1.0 . 3.13 2688 2033 A 108 ALA H A 107 ILE HG1x 1.0 . 4.86 2689 2033 A 108 ALA H A 107 ILE HG1y 1.0 . 4.86 2690 2034 A 112 SER HB3 A 113 PRO HDy 1.0 . 4.21 2691 2034 A 112 SER HB2 A 113 PRO HDy 1.0 . 4.21 2692 2034 A 113 PRO HDx A 112 SER HB2 1.0 . 4.21 2693 2034 A 112 SER HB3 A 113 PRO HDx 1.0 . 4.21 2694 2035 A 126 LYS HG2 A 127 GLU HBx 1.0 . 4.58 2695 2035 A 126 LYS HG3 A 127 GLU HBx 1.0 . 4.58 2696 2035 A 127 GLU HBy A 126 LYS HG2 1.0 . 4.58 2697 2035 A 126 LYS HG3 A 127 GLU HBy 1.0 . 4.58 2698 2036 A 126 LYS HD3 A 127 GLU HBx 1.0 . 4.24 2699 2036 A 126 LYS HD2 A 127 GLU HBx 1.0 . 4.24 2700 2036 A 127 GLU HBy A 126 LYS HD2 1.0 . 4.24 2701 2036 A 126 LYS HD3 A 127 GLU HBy 1.0 . 4.24 2702 2037 A 127 GLU H A 127 GLU HBx 1.0 . 3.15 2703 2037 A 127 GLU H A 127 GLU HBy 1.0 . 3.15 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 LYS H A 107 ILE O 1.0 . 1.8 2 2 A 107 ILE O A 15 LYS N 1.0 . 2.7 3 3 A 17 LEU H A 109 ALA O 1.0 . 1.8 4 4 A 109 ALA O A 17 LEU N 1.0 . 2.7 5 5 A 18 ASP H A 23 SER O 1.0 . 1.8 6 6 A 23 SER O A 18 ASP N 1.0 . 2.7 7 7 A 22 GLY H A 18 ASP O 1.0 . 1.8 8 8 A 18 ASP O A 22 GLY N 1.0 . 2.7 9 9 A 25 ALA H A 16 VAL O 1.0 . 1.8 10 10 A 16 VAL O A 25 ALA N 1.0 . 2.7 11 11 A 30 VAL H A 47 GLY O 1.0 . 1.8 12 12 A 47 GLY O A 30 VAL N 1.0 . 2.7 13 13 A 31 HIS H A 72 GLU O 1.0 . 1.8 14 14 A 72 GLU O A 31 HIS N 1.0 . 2.7 15 15 A 32 VAL H A 45 ALA O 1.0 . 1.8 16 16 A 45 ALA O A 32 VAL N 1.0 . 2.7 17 17 A 33 PHE H A 70 LYS O 1.0 . 1.8 18 18 A 70 LYS O A 33 PHE N 1.0 . 2.7 19 19 A 34 ARG H A 42 GLU O 1.0 . 1.8 20 20 A 42 GLU O A 34 ARG N 1.0 . 2.7 21 21 A 36 ALA H A 40 THR O 1.0 . 1.8 22 22 A 40 THR O A 36 ALA N 1.0 . 2.7 23 23 A 39 ASP H A 36 ALA O 1.0 . 1.8 24 24 A 36 ALA O A 39 ASP N 1.0 . 2.7 25 25 A 42 GLU H A 34 ARG O 1.0 . 1.8 26 26 A 34 ARG O A 42 GLU N 1.0 . 2.7 27 27 A 44 PHE H A 32 VAL O 1.0 . 1.8 28 28 A 32 VAL O A 44 PHE N 1.0 . 2.7 29 29 A 45 ALA H A 32 VAL O 1.0 . 1.8 30 30 A 32 VAL O A 45 ALA N 1.0 . 2.7 31 31 A 47 GLY H A 30 VAL O 1.0 . 1.8 32 32 A 30 VAL O A 47 GLY N 1.0 . 2.7 33 33 A 49 THR H A 28 VAL O 1.0 . 1.8 34 34 A 28 VAL O A 49 THR N 1.0 . 2.7 35 35 A 53 GLY H A 50 SER O 1.0 . 1.8 36 36 A 50 SER O A 53 GLY N 1.0 . 2.7 37 37 A 70 LYS H A 33 PHE O 1.0 . 1.8 38 38 A 33 PHE O A 70 LYS N 1.0 . 2.7 39 39 A 72 GLU H A 31 HIS O 1.0 . 1.8 40 40 A 31 HIS O A 72 GLU N 1.0 . 2.7 41 41 A 74 ASP H A 29 ALA O 1.0 . 1.8 42 42 A 29 ALA O A 74 ASP N 1.0 . 2.7 43 43 A 84 ILE H A 79 TRP O 1.0 . 1.8 44 44 A 79 TRP O A 84 ILE N 1.0 . 2.7 45 45 A 107 ILE H A 13 MET O 1.0 . 1.8 46 46 A 13 MET O A 107 ILE N 1.0 . 2.7 47 47 A 109 ALA H A 15 LYS O 1.0 . 1.8 48 48 A 15 LYS O A 109 ALA N 1.0 . 2.7 49 49 A 111 LEU H A 17 LEU O 1.0 . 1.8 50 50 A 17 LEU O A 111 LEU N 1.0 . 2.7 51 51 A 15 LYS H A 107 ILE O 1.0 . 2.0 52 52 A 107 ILE O A 15 LYS N 1.0 . 3.0 53 53 A 17 LEU H A 109 ALA O 1.0 . 2.0 54 54 A 109 ALA O A 17 LEU N 1.0 . 3.0 55 55 A 18 ASP H A 23 SER O 1.0 . 2.0 56 56 A 23 SER O A 18 ASP N 1.0 . 3.0 57 57 A 22 GLY H A 18 ASP O 1.0 . 2.0 58 58 A 18 ASP O A 22 GLY N 1.0 . 3.0 59 59 A 25 ALA H A 16 VAL O 1.0 . 2.0 60 60 A 16 VAL O A 25 ALA N 1.0 . 3.0 61 61 A 30 VAL H A 47 GLY O 1.0 . 2.0 62 62 A 47 GLY O A 30 VAL N 1.0 . 3.0 63 63 A 31 HIS H A 72 GLU O 1.0 . 2.0 64 64 A 72 GLU O A 31 HIS N 1.0 . 3.0 65 65 A 32 VAL H A 45 ALA O 1.0 . 2.0 66 66 A 45 ALA O A 32 VAL N 1.0 . 3.0 67 67 A 33 PHE H A 70 LYS O 1.0 . 2.0 68 68 A 70 LYS O A 33 PHE N 1.0 . 3.0 69 69 A 34 ARG H A 42 GLU O 1.0 . 2.0 70 70 A 42 GLU O A 34 ARG N 1.0 . 3.0 71 71 A 36 ALA H A 40 THR O 1.0 . 2.0 72 72 A 40 THR O A 36 ALA N 1.0 . 3.0 73 73 A 39 ASP H A 36 ALA O 1.0 . 2.0 74 74 A 36 ALA O A 39 ASP N 1.0 . 3.0 75 75 A 42 GLU H A 34 ARG O 1.0 . 2.0 76 76 A 34 ARG O A 42 GLU N 1.0 . 3.0 77 77 A 44 PHE H A 32 VAL O 1.0 . 2.0 78 78 A 32 VAL O A 44 PHE N 1.0 . 3.0 79 79 A 45 ALA H A 32 VAL O 1.0 . 2.0 80 80 A 32 VAL O A 45 ALA N 1.0 . 3.0 81 81 A 47 GLY H A 30 VAL O 1.0 . 2.0 82 82 A 30 VAL O A 47 GLY N 1.0 . 3.0 83 83 A 49 THR H A 28 VAL O 1.0 . 2.0 84 84 A 28 VAL O A 49 THR N 1.0 . 3.0 85 85 A 53 GLY H A 50 SER O 1.0 . 2.0 86 86 A 50 SER O A 53 GLY N 1.0 . 3.0 87 87 A 70 LYS H A 33 PHE O 1.0 . 2.0 88 88 A 33 PHE O A 70 LYS N 1.0 . 3.0 89 89 A 72 GLU H A 31 HIS O 1.0 . 2.0 90 90 A 31 HIS O A 72 GLU N 1.0 . 3.0 91 91 A 74 ASP H A 29 ALA O 1.0 . 2.0 92 92 A 29 ALA O A 74 ASP N 1.0 . 3.0 93 93 A 84 ILE H A 79 TRP O 1.0 . 2.0 94 94 A 79 TRP O A 84 ILE N 1.0 . 3.0 95 95 A 107 ILE H A 13 MET O 1.0 . 2.0 96 96 A 13 MET O A 107 ILE N 1.0 . 3.0 97 97 A 109 ALA H A 15 LYS O 1.0 . 2.0 98 98 A 15 LYS O A 109 ALA N 1.0 . 3.0 99 99 A 111 LEU H A 17 LEU O 1.0 . 2.0 100 100 A 17 LEU O A 111 LEU N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -98.9 -49.2 PHI 2 2 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 PRO N 1.0 103.8 174.2 PSI 3 3 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 LEU N 1.0 -42.9 -2.2 PSI 4 4 A 11 PRO C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -145.8 -104.5 PHI 5 5 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 MET N 1.0 108.9 148.9 PSI 6 6 A 12 LEU C A 13 MET N A 13 MET CA A 13 MET C 1.0 -139.2 -78.6 PHI 7 7 A 13 MET N A 13 MET CA A 13 MET C A 14 VAL N 1.0 108.7 148.7 PSI 8 8 A 13 MET C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -141.3 -101.3 PHI 9 9 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 LYS N 1.0 111.2 151.2 PSI 10 10 A 14 VAL C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -140.8 -100.4 PHI 11 11 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 VAL N 1.0 109.6 149.6 PSI 12 12 A 15 LYS C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -126.8 -86.8 PHI 13 13 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 LEU N 1.0 104.9 144.9 PSI 14 14 A 16 VAL C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -138.7 -98.7 PHI 15 15 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ASP N 1.0 116.5 156.5 PSI 16 16 A 17 LEU C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -106.5 -66.5 PHI 17 17 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 ALA N 1.0 93.4 142.6 PSI 18 18 A 19 ALA C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -91.1 -51.1 PHI 19 19 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 ARG N 1.0 -56.6 -16.1 PSI 20 20 A 20 VAL C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -124.0 -71.2 PHI 21 21 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 GLY N 1.0 -31.8 12.7 PSI 22 22 A 21 ARG C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 53.3 93.3 PHI 23 23 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 SER N 1.0 2.3 42.3 PSI 24 24 A 22 GLY C A 23 SER N A 23 SER CA A 23 SER C 1.0 -136.0 -63.7 PHI 25 25 A 23 SER N A 23 SER CA A 23 SER C A 24 PRO N 1.0 122.7 169.0 PSI 26 26 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 ALA N 1.0 124.8 164.8 PSI 27 27 A 24 PRO C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -123.4 -62.4 PHI 28 28 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 ILE N 1.0 88.2 151.7 PSI 29 29 A 25 ALA C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -104.9 -48.9 PHI 30 30 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ASN N 1.0 118.1 163.4 PSI 31 31 A 27 ASN C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -116.2 -53.3 PHI 32 32 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ALA N 1.0 111.1 154.7 PSI 33 33 A 28 VAL C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -96.8 -56.8 PHI 34 34 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 VAL N 1.0 113.3 153.3 PSI 35 35 A 29 ALA C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -138.1 -98.1 PHI 36 36 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 HIS N 1.0 108.4 148.4 PSI 37 37 A 30 VAL C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -126.4 -79.0 PHI 38 38 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 VAL N 1.0 105.8 145.9 PSI 39 39 A 31 HIS C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -130.9 -90.9 PHI 40 40 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 PHE N 1.0 108.4 148.4 PSI 41 41 A 32 VAL C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -142.3 -102.3 PHI 42 42 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 ARG N 1.0 125.2 165.2 PSI 43 43 A 33 PHE C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -144.3 -102.2 PHI 44 44 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 LYS N 1.0 114.9 154.9 PSI 45 45 A 34 ARG C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -92.9 -52.9 PHI 46 46 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ALA N 1.0 102.1 150.5 PSI 47 47 A 35 LYS C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -102.4 -50.1 PHI 48 48 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ALA N 1.0 143.3 183.6 PSI 49 49 A 36 ALA C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -84.0 -44.0 PHI 50 50 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ASP N 1.0 -41.3 -1.3 PSI 51 51 A 37 ALA C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -107.6 -67.6 PHI 52 52 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 ASP N 1.0 -9.1 30.9 PSI 53 53 A 38 ASP C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 45.9 85.9 PHI 54 54 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 THR N 1.0 1.1 51.3 PSI 55 55 A 40 THR C A 41 TRP N A 41 TRP CA A 41 TRP C 1.0 -136.5 -61.8 PHI 56 56 A 41 TRP N A 41 TRP CA A 41 TRP C A 42 GLU N 1.0 107.5 164.2 PSI 57 57 A 41 TRP C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -159.7 -53.8 PHI 58 58 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 PRO N 1.0 89.5 171.6 PSI 59 59 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 PHE N 1.0 114.7 154.7 PSI 60 60 A 43 PRO C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -131.8 -84.9 PHI 61 61 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 ALA N 1.0 -65.3 -10.6 PSI 62 62 A 44 PHE C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -180.0 -140.0 PHI 63 63 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 SER N 1.0 135.1 175.1 PSI 64 64 A 45 ALA C A 46 SER N A 46 SER CA A 46 SER C 1.0 -172.0 -96.7 PHI 65 65 A 46 SER N A 46 SER CA A 46 SER C A 47 GLY N 1.0 132.3 172.6 PSI 66 66 A 47 GLY C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -157.2 -99.8 PHI 67 67 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 THR N 1.0 126.3 167.5 PSI 68 68 A 48 LYS C A 49 THR N A 49 THR CA A 49 THR C 1.0 -109.9 -43.4 PHI 69 69 A 49 THR N A 49 THR CA A 49 THR C A 50 SER N 1.0 115.7 174.0 PSI 70 70 A 49 THR C A 50 SER N A 50 SER CA A 50 SER C 1.0 -126.7 -49.0 PHI 71 71 A 50 SER N A 50 SER CA A 50 SER C A 51 GLU N 1.0 155.7 195.7 PSI 72 72 A 50 SER C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -83.3 -43.3 PHI 73 73 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 SER N 1.0 -40.4 -0.4 PSI 74 74 A 51 GLU C A 52 SER N A 52 SER CA A 52 SER C 1.0 -111.3 -71.3 PHI 75 75 A 52 SER N A 52 SER CA A 52 SER C A 53 GLY N 1.0 -19.8 20.2 PSI 76 76 A 52 SER C A 53 GLY N A 53 GLY CA A 53 GLY C 1.0 62.8 102.8 PHI 77 77 A 53 GLY N A 53 GLY CA A 53 GLY C A 54 GLU N 1.0 -6.8 33.2 PSI 78 78 A 53 GLY C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -130.5 -64.3 PHI 79 79 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LEU N 1.0 128.8 173.9 PSI 80 80 A 54 GLU C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -136.2 -41.9 PHI 81 81 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 HIS N 1.0 110.7 162.5 PSI 82 82 A 57 GLY C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -100.3 -57.2 PHI 83 83 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 THR N 1.0 -60.7 10.8 PSI 84 84 A 58 LEU C A 59 THR N A 59 THR CA A 59 THR C 1.0 -163.2 -45.0 PHI 85 85 A 59 THR N A 59 THR CA A 59 THR C A 60 THR N 1.0 117.3 179.7 PSI 86 86 A 59 THR C A 60 THR N A 60 THR CA A 60 THR C 1.0 -162.3 -71.8 PHI 87 87 A 60 THR N A 60 THR CA A 60 THR C A 61 GLU N 1.0 147.8 187.8 PSI 88 88 A 60 THR C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -79.9 -39.9 PHI 89 89 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 GLU N 1.0 -54.5 -14.5 PSI 90 90 A 61 GLU C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -88.4 -48.4 PHI 91 91 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 GLU N 1.0 -41.4 -1.4 PSI 92 92 A 62 GLU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -106.7 -66.7 PHI 93 93 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 PHE N 1.0 -30.2 11.4 PSI 94 94 A 63 GLU C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -113.6 -67.6 PHI 95 95 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 VAL N 1.0 1.3 129.9 PSI 96 96 A 64 PHE C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -135.8 -72.5 PHI 97 97 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 GLU N 1.0 121.9 182.5 PSI 98 98 A 67 GLY C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -123.9 -60.4 PHI 99 99 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 TYR N 1.0 108.1 148.1 PSI 100 100 A 68 ILE C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -143.1 -103.1 PHI 101 101 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 LYS N 1.0 125.0 165.8 PSI 102 102 A 69 TYR C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -135.0 -78.2 PHI 103 103 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 VAL N 1.0 104.8 144.8 PSI 104 104 A 70 LYS C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -128.8 -88.8 PHI 105 105 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 GLU N 1.0 105.1 145.1 PSI 106 106 A 71 VAL C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -129.6 -89.6 PHI 107 107 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 ILE N 1.0 108.2 148.2 PSI 108 108 A 72 GLU C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -131.8 -91.8 PHI 109 109 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 ASP N 1.0 109.2 149.2 PSI 110 110 A 73 ILE C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -104.3 -64.3 PHI 111 111 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 THR N 1.0 71.8 136.8 PSI 112 112 A 75 THR C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -84.3 -44.3 PHI 113 113 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 SER N 1.0 -65.7 -25.7 PSI 114 114 A 76 LYS C A 77 SER N A 77 SER CA A 77 SER C 1.0 -88.6 -48.6 PHI 115 115 A 77 SER N A 77 SER CA A 77 SER C A 78 TYR N 1.0 -55.1 -15.1 PSI 116 116 A 77 SER C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -85.0 -45.0 PHI 117 117 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 TRP N 1.0 -66.9 -26.9 PSI 118 118 A 78 TYR C A 79 TRP N A 79 TRP CA A 79 TRP C 1.0 -85.8 -45.8 PHI 119 119 A 79 TRP N A 79 TRP CA A 79 TRP C A 80 LYS N 1.0 -56.7 -16.7 PSI 120 120 A 79 TRP C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -85.4 -45.4 PHI 121 121 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 ALA N 1.0 -58.3 -18.3 PSI 122 122 A 80 LYS C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -87.6 -47.6 PHI 123 123 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 LEU N 1.0 -44.9 -4.9 PSI 124 124 A 82 LEU C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 56.6 96.6 PHI 125 125 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ILE N 1.0 5.5 45.5 PSI 126 126 A 83 GLY C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -131.2 -91.2 PHI 127 127 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 SER N 1.0 116.4 161.7 PSI 128 128 A 84 ILE C A 85 SER N A 85 SER CA A 85 SER C 1.0 -104.4 -49.1 PHI 129 129 A 85 SER N A 85 SER CA A 85 SER C A 86 PRO N 1.0 109.3 159.2 PSI 130 130 A 91 ALA C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -143.9 -103.9 PHI 131 131 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 VAL N 1.0 122.3 170.9 PSI 132 132 A 92 GLU C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -140.8 -86.4 PHI 133 133 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 VAL N 1.0 109.9 149.9 PSI 134 134 A 93 VAL C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -129.2 -89.2 PHI 135 135 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 PHE N 1.0 109.0 149.0 PSI 136 136 A 94 VAL C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -139.8 -99.8 PHI 137 137 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 THR N 1.0 110.1 154.5 PSI 138 138 A 95 PHE C A 96 THR N A 96 THR CA A 96 THR C 1.0 -121.0 -72.2 PHI 139 139 A 96 THR N A 96 THR CA A 96 THR C A 97 ALA N 1.0 105.4 145.4 PSI 140 140 A 96 THR C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -120.8 -80.4 PHI 141 141 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 ASN N 1.0 95.8 158.7 PSI 142 142 A 105 TYR C A 106 THR N A 106 THR CA A 106 THR C 1.0 -127.5 -87.5 PHI 143 143 A 106 THR N A 106 THR CA A 106 THR C A 107 ILE N 1.0 106.3 146.3 PSI 144 144 A 106 THR C A 107 ILE N A 107 ILE CA A 107 ILE C 1.0 -127.0 -87.0 PHI 145 145 A 107 ILE N A 107 ILE CA A 107 ILE C A 108 ALA N 1.0 105.5 145.5 PSI 146 146 A 107 ILE C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -134.8 -92.6 PHI 147 147 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 ALA N 1.0 111.9 151.9 PSI 148 148 A 108 ALA C A 109 ALA N A 109 ALA CA A 109 ALA C 1.0 -144.9 -104.9 PHI 149 149 A 109 ALA N A 109 ALA CA A 109 ALA C A 110 MET N 1.0 109.9 149.9 PSI 150 150 A 109 ALA C A 110 MET N A 110 MET CA A 110 MET C 1.0 -120.0 -79.1 PHI 151 151 A 110 MET N A 110 MET CA A 110 MET C A 111 LEU N 1.0 99.2 139.2 PSI 152 152 A 111 LEU C A 112 SER N A 112 SER CA A 112 SER C 1.0 -84.6 -44.6 PHI 153 153 A 112 SER N A 112 SER CA A 112 SER C A 113 PRO N 1.0 113.1 171.9 PSI 154 154 A 46 SER C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 -259.1 -71.7 PHI 155 155 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 LYS N 1.0 112.8 243.3 PSI 156 156 A 74 ASP C A 75 THR N A 75 THR CA A 75 THR C 1.0 -104.6 -34.0 PHI 157 157 A 75 THR N A 75 THR CA A 75 THR C A 76 LYS N 1.0 -68.5 18.4 PSI 158 158 A 81 ALA C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -122.9 -62.9 PHI 159 159 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 GLY N 1.0 -30.0 30.0 PSI 160 160 A 90 HIS C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -101.0 -41.0 PHI 161 161 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 GLU N 1.0 98.5 200.0 PSI 162 162 A 110 MET C A 111 LEU N A 111 LEU CA A 111 LEU C 1.0 -142.6 -42.6 PHI 163 163 A 111 LEU N A 111 LEU CA A 111 LEU C A 112 SER N 1.0 63.5 183.8 PSI 164 164 A 3 THR N A 3 THR CA A 3 THR CB A 3 THR OG1 1.0 42.8 80.4 CHI1 165 165 A 5 THR N A 5 THR CA A 5 THR CB A 5 THR OG1 1.0 36.7 103.9 CHI1 166 166 A 14 VAL N A 14 VAL CA A 14 VAL CB A 14 VAL CG1 1.0 -191.8 -163.0 CHI1 167 167 A 16 VAL N A 16 VAL CA A 16 VAL CB A 16 VAL CG1 1.0 -196.0 -147.6 CHI1 168 168 A 20 VAL N A 20 VAL CA A 20 VAL CB A 20 VAL CG1 1.0 163.2 196.8 CHI1 169 169 A 28 VAL N A 28 VAL CA A 28 VAL CB A 28 VAL CG1 1.0 -189.9 -159.9 CHI1 170 170 A 30 VAL N A 30 VAL CA A 30 VAL CB A 30 VAL CG1 1.0 -185.3 -160.9 CHI1 171 171 A 32 VAL N A 32 VAL CA A 32 VAL CB A 32 VAL CG1 1.0 -200.6 -147.0 CHI1 172 172 A 40 THR N A 40 THR CA A 40 THR CB A 40 THR OG1 1.0 36.4 78.8 CHI1 173 173 A 49 THR N A 49 THR CA A 49 THR CB A 49 THR OG1 1.0 43.8 71.4 CHI1 174 174 A 59 THR N A 59 THR CA A 59 THR CB A 59 THR OG1 1.0 45.5 80.3 CHI1 175 175 A 60 THR N A 60 THR CA A 60 THR CB A 60 THR OG1 1.0 51.3 81.3 CHI1 176 176 A 65 VAL N A 65 VAL CA A 65 VAL CB A 65 VAL CG1 1.0 -66.8 -50.8 CHI1 177 177 A 68 ILE N A 68 ILE CA A 68 ILE CB A 68 ILE CG1 1.0 -75.1 -41.1 CHI1 178 178 A 71 VAL N A 71 VAL CA A 71 VAL CB A 71 VAL CG1 1.0 -188.3 -164.3 CHI1 179 179 A 73 ILE N A 73 ILE CA A 73 ILE CB A 73 ILE CG1 1.0 -70.7 -50.7 CHI1 180 180 A 84 ILE N A 84 ILE CA A 84 ILE CB A 84 ILE CG1 1.0 -74.9 -46.5 CHI1 181 181 A 93 VAL N A 93 VAL CA A 93 VAL CB A 93 VAL CG1 1.0 -193.4 -159.8 CHI1 182 182 A 94 VAL N A 94 VAL CA A 94 VAL CB A 94 VAL CG1 1.0 -186.8 -165.6 CHI1 183 183 A 106 THR N A 106 THR CA A 106 THR CB A 106 THR OG1 1.0 -72.5 -40.1 CHI1 184 184 A 107 ILE N A 107 ILE CA A 107 ILE CB A 107 ILE CG1 1.0 -74.9 -41.7 CHI1 stop_ save_