data_nef_c18015_2lkx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1YZ8 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 -2 GLY start . false 2 A -1 SER middle . . 3 A 1 GLN middle . . 4 A 2 ARG middle . . 5 A 3 ARG middle . . 6 A 4 GLN middle . . 7 A 5 ARG middle . . 8 A 6 THR middle . . 9 A 7 HIS middle . . 10 A 8 PHE middle . . 11 A 9 THR middle . . 12 A 10 SER middle . . 13 A 11 GLN middle . . 14 A 12 GLN middle . . 15 A 13 LEU middle . . 16 A 14 GLN middle . . 17 A 15 GLU middle . . 18 A 16 LEU middle . . 19 A 17 GLU middle . . 20 A 18 ALA middle . . 21 A 19 THR middle . . 22 A 20 PHE middle . . 23 A 21 GLN middle . . 24 A 22 ARG middle . . 25 A 23 ASN middle . . 26 A 24 ARG middle . . 27 A 25 TYR middle . . 28 A 26 PRO middle . false 29 A 27 ASP middle . . 30 A 28 MET middle . . 31 A 29 SER middle . . 32 A 30 THR middle . . 33 A 31 ARG middle . . 34 A 32 GLU middle . . 35 A 33 GLU middle . . 36 A 34 ILE middle . . 37 A 35 ALA middle . . 38 A 36 VAL middle . . 39 A 37 TRP middle . . 40 A 38 THR middle . . 41 A 39 ASN middle . . 42 A 40 LEU middle . . 43 A 41 THR middle . . 44 A 42 GLU middle . . 45 A 43 ALA middle . . 46 A 44 ARG middle . . 47 A 45 VAL middle . . 48 A 46 ARG middle . . 49 A 47 VAL middle . . 50 A 48 TRP middle . . 51 A 49 PHE middle . . 52 A 50 LYS middle . . 53 A 51 ASN middle . . 54 A 52 ARG middle . . 55 A 53 ARG middle . . 56 A 54 ALA middle . . 57 A 55 LYS middle . . 58 A 56 TRP middle . . 59 A 57 ARG middle . . 60 A 58 LYS middle . . 61 A 59 ARG middle . . 62 A 60 GLU middle . . 63 A 61 GLU middle . . 64 A 62 PHE middle . . 65 A 63 ILE middle . . 66 A 64 VAL middle . . 67 A 65 THR middle . . 68 A 66 ASP end . . 69 B 67 DG start . . 70 B 68 DC middle . . 71 B 69 DT middle . . 72 B 70 DC middle . . 73 B 71 DT middle . . 74 B 72 DA middle . . 75 B 73 DA middle . . 76 B 74 DT middle . . 77 B 75 DC middle . . 78 B 76 DC middle . . 79 B 77 DC middle . . 80 B 78 DC middle . . 81 B 79 DG end . . 82 C 80 DC start . . 83 C 81 DG middle . . 84 C 82 DG middle . . 85 C 83 DG middle . . 86 C 84 DG middle . . 87 C 85 DA middle . . 88 C 86 DT middle . . 89 C 87 DT middle . . 90 C 88 DA middle . . 91 C 89 DG middle . . 92 C 90 DA middle . . 93 C 91 DG middle . . 94 C 92 DC 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 SER H H 1 8.531 0.020 A -1 SER HBx H 1 3.912 0.020 A -1 SER HBy H 1 3.912 0.020 A -1 SER CB C 13 63.898 0.400 A 1 GLN H H 1 8.579 0.020 A 1 GLN HA H 1 4.440 0.020 A 1 GLN HBy H 1 2.122 0.020 A 1 GLN HBx H 1 2.014 0.020 A 1 GLN HE2x H 1 6.876 0.020 A 1 GLN HE2y H 1 7.643 0.020 A 1 GLN HGx H 1 2.389 0.020 A 1 GLN HGy H 1 2.389 0.020 A 1 GLN CA C 13 55.678 0.400 A 1 GLN CB C 13 29.688 0.400 A 1 GLN CG C 13 33.921 0.400 A 1 GLN N N 15 122.384 0.400 A 1 GLN NE2 N 15 112.778 0.400 A 2 ARG H H 1 8.472 0.020 A 2 ARG HA H 1 4.475 0.020 A 2 ARG HBx H 1 1.805 0.020 A 2 ARG HBy H 1 1.878 0.020 A 2 ARG HDx H 1 3.299 0.020 A 2 ARG HDy H 1 3.299 0.020 A 2 ARG HE H 1 7.475 0.020 A 2 ARG HGx H 1 1.749 0.020 A 2 ARG HGy H 1 1.749 0.020 A 2 ARG CA C 13 55.904 0.400 A 2 ARG CD C 13 43.704 0.400 A 2 ARG CG C 13 27.285 0.400 A 2 ARG N N 15 123.855 0.400 A 2 ARG NE N 15 84.774 0.400 A 3 ARG H H 1 9.078 0.020 A 3 ARG HA H 1 4.284 0.020 A 3 ARG HBy H 1 1.888 0.020 A 3 ARG HBx H 1 1.769 0.020 A 3 ARG HDx H 1 3.290 0.020 A 3 ARG HDy H 1 3.290 0.020 A 3 ARG HE H 1 7.696 0.020 A 3 ARG HGx H 1 1.803 0.020 A 3 ARG HGy H 1 1.803 0.020 A 3 ARG CA C 13 56.385 0.400 A 3 ARG CG C 13 27.006 0.400 A 3 ARG N N 15 125.147 0.400 A 3 ARG NE N 15 84.042 0.400 A 4 GLN H H 1 8.475 0.020 A 4 GLN HA H 1 4.301 0.020 A 4 GLN HBx H 1 1.998 0.020 A 4 GLN HBy H 1 1.998 0.020 A 4 GLN HE2x H 1 6.913 0.020 A 4 GLN HE2y H 1 7.646 0.020 A 4 GLN HGx H 1 2.375 0.020 A 4 GLN HGy H 1 2.375 0.020 A 4 GLN CA C 13 55.571 0.400 A 4 GLN CB C 13 29.550 0.400 A 4 GLN CG C 13 34.041 0.400 A 4 GLN N N 15 122.134 0.400 A 4 GLN NE2 N 15 112.893 0.400 A 5 ARG H H 1 8.631 0.020 A 5 ARG HA H 1 4.285 0.020 A 5 ARG HBy H 1 1.695 0.020 A 5 ARG HBx H 1 1.597 0.020 A 5 ARG HDx H 1 2.877 0.020 A 5 ARG HDy H 1 3.038 0.020 A 5 ARG HE H 1 7.505 0.020 A 5 ARG HGx H 1 1.358 0.020 A 5 ARG HGy H 1 1.665 0.020 A 5 ARG N N 15 124.132 0.400 A 5 ARG NE N 15 86.485 0.400 A 6 THR H H 1 8.036 0.020 A 6 THR HA H 1 3.831 0.020 A 6 THR HB H 1 3.509 0.020 A 6 THR HG2% H 1 0.463 0.020 A 6 THR CA C 13 64.978 0.400 A 6 THR CB C 13 69.109 0.400 A 6 THR CG2 C 13 20.635 0.400 A 6 THR N N 15 125.523 0.400 A 7 HIS H H 1 8.690 0.020 A 7 HIS HA H 1 4.761 0.020 A 7 HIS HBy H 1 3.181 0.020 A 7 HIS HBx H 1 3.106 0.020 A 7 HIS HD1 H 1 8.744 0.020 A 7 HIS HD2 H 1 7.206 0.020 A 7 HIS HE1 H 1 8.540 0.020 A 7 HIS CB C 13 28.769 0.400 A 7 HIS CD2 C 13 119.649 0.400 A 7 HIS CE1 C 13 136.406 0.400 A 7 HIS N N 15 125.571 0.400 A 8 PHE H H 1 8.703 0.020 A 8 PHE HA H 1 4.834 0.020 A 8 PHE HBx H 1 2.779 0.020 A 8 PHE HBy H 1 3.140 0.020 A 8 PHE HDx H 1 7.362 0.020 A 8 PHE HDy H 1 7.362 0.020 A 8 PHE HEx H 1 7.524 0.020 A 8 PHE HEy H 1 7.524 0.020 A 8 PHE HZ H 1 7.758 0.020 A 8 PHE CB C 13 40.533 0.400 A 8 PHE CDx C 13 131.415 0.400 A 8 PHE CEx C 13 131.458 0.400 A 8 PHE CZ C 13 129.322 0.400 A 8 PHE N N 15 126.330 0.400 A 9 THR H H 1 9.165 0.020 A 9 THR HA H 1 4.542 0.020 A 9 THR HG1 H 1 5.830 0.020 A 9 THR HG2% H 1 1.400 0.020 A 9 THR CA C 13 60.379 0.400 A 9 THR CG2 C 13 21.797 0.400 A 9 THR N N 15 113.642 0.400 A 10 SER H H 1 9.188 0.020 A 10 SER HA H 1 4.187 0.020 A 10 SER HBx H 1 3.978 0.020 A 10 SER HBy H 1 3.978 0.020 A 10 SER CA C 13 61.887 0.400 A 10 SER CB C 13 62.286 0.400 A 10 SER N N 15 116.602 0.400 A 11 GLN H H 1 8.415 0.020 A 11 GLN HA H 1 4.053 0.020 A 11 GLN HBy H 1 2.153 0.020 A 11 GLN HBx H 1 1.990 0.020 A 11 GLN HE2y H 1 7.666 0.020 A 11 GLN HE2x H 1 6.795 0.020 A 11 GLN HGx H 1 2.464 0.020 A 11 GLN HGy H 1 2.464 0.020 A 11 GLN CA C 13 59.578 0.400 A 11 GLN CB C 13 27.914 0.400 A 11 GLN CG C 13 33.805 0.400 A 11 GLN N N 15 120.969 0.400 A 11 GLN NE2 N 15 111.979 0.400 A 12 GLN H H 1 7.799 0.020 A 12 GLN HA H 1 3.833 0.020 A 12 GLN HBy H 1 2.679 0.020 A 12 GLN HBx H 1 1.627 0.020 A 12 GLN HE2x H 1 6.724 0.020 A 12 GLN HE2y H 1 8.001 0.020 A 12 GLN HGx H 1 2.674 0.020 A 12 GLN HGy H 1 2.684 0.020 A 12 GLN CA C 13 59.436 0.400 A 12 GLN CB C 13 27.965 0.400 A 12 GLN CG C 13 34.911 0.400 A 12 GLN N N 15 119.255 0.400 A 12 GLN NE2 N 15 110.679 0.400 A 13 LEU H H 1 8.299 0.020 A 13 LEU HA H 1 3.616 0.020 A 13 LEU HBy H 1 1.815 0.020 A 13 LEU HBx H 1 1.541 0.020 A 13 LEU HDx% H 1 0.955 0.020 A 13 LEU HDy% H 1 0.808 0.020 A 13 LEU HG H 1 1.677 0.020 A 13 LEU CA C 13 57.893 0.400 A 13 LEU CB C 13 41.606 0.400 A 13 LEU CDy C 13 25.389 0.400 A 13 LEU CDx C 13 23.269 0.400 A 13 LEU CG C 13 26.943 0.400 A 13 LEU N N 15 117.041 0.400 A 14 GLN H H 1 8.160 0.020 A 14 GLN HA H 1 3.992 0.020 A 14 GLN HBy H 1 2.204 0.020 A 14 GLN HBx H 1 2.142 0.020 A 14 GLN HE2x H 1 6.836 0.020 A 14 GLN HE2y H 1 7.485 0.020 A 14 GLN HGy H 1 2.503 0.020 A 14 GLN HGx H 1 2.393 0.020 A 14 GLN CA C 13 59.157 0.400 A 14 GLN CB C 13 28.507 0.400 A 14 GLN CG C 13 34.099 0.400 A 14 GLN N N 15 118.025 0.400 A 14 GLN NE2 N 15 111.654 0.400 A 15 GLU H H 1 7.582 0.020 A 15 GLU HA H 1 4.181 0.020 A 15 GLU HBy H 1 2.013 0.020 A 15 GLU HBx H 1 1.852 0.020 A 15 GLU HGy H 1 2.341 0.020 A 15 GLU HGx H 1 2.244 0.020 A 15 GLU CA C 13 58.538 0.400 A 15 GLU CB C 13 29.450 0.400 A 15 GLU CG C 13 35.434 0.400 A 15 GLU N N 15 119.789 0.400 A 16 LEU H H 1 8.313 0.020 A 16 LEU HA H 1 3.513 0.020 A 16 LEU HBy H 1 0.479 0.020 A 16 LEU HBx H 1 -1.204 0.020 A 16 LEU HDx% H 1 -0.801 0.020 A 16 LEU HDy% H 1 0.424 0.020 A 16 LEU HG H 1 1.148 0.020 A 16 LEU CA C 13 58.570 0.400 A 16 LEU CB C 13 37.866 0.400 A 16 LEU CDy C 13 22.844 0.400 A 16 LEU CDx C 13 22.439 0.400 A 16 LEU CG C 13 26.168 0.400 A 16 LEU N N 15 123.483 0.400 A 17 GLU H H 1 8.257 0.020 A 17 GLU HA H 1 4.405 0.020 A 17 GLU HBx H 1 1.970 0.020 A 17 GLU HBy H 1 2.182 0.020 A 17 GLU HGx H 1 2.359 0.020 A 17 GLU HGy H 1 2.523 0.020 A 17 GLU CA C 13 58.930 0.400 A 17 GLU CG C 13 34.095 0.400 A 17 GLU N N 15 119.146 0.400 A 18 ALA H H 1 7.954 0.020 A 18 ALA HA H 1 4.180 0.020 A 18 ALA HB% H 1 1.544 0.020 A 18 ALA CA C 13 55.184 0.400 A 18 ALA CB C 13 18.014 0.400 A 18 ALA N N 15 120.611 0.400 A 19 THR H H 1 7.940 0.020 A 19 THR HA H 1 4.103 0.020 A 19 THR HB H 1 4.579 0.020 A 19 THR HG1 H 1 5.355 0.020 A 19 THR HG2% H 1 1.496 0.020 A 19 THR CA C 13 66.956 0.400 A 19 THR CB C 13 68.338 0.400 A 19 THR CG2 C 13 21.820 0.400 A 19 THR N N 15 113.517 0.400 A 20 PHE H H 1 8.839 0.020 A 20 PHE HA H 1 4.373 0.020 A 20 PHE HBy H 1 3.377 0.020 A 20 PHE HBx H 1 3.237 0.020 A 20 PHE HDx H 1 7.188 0.020 A 20 PHE HDy H 1 7.188 0.020 A 20 PHE HEx H 1 7.035 0.020 A 20 PHE HEy H 1 7.035 0.020 A 20 PHE HZ H 1 6.527 0.020 A 20 PHE CA C 13 61.742 0.400 A 20 PHE CDx C 13 132.560 0.400 A 20 PHE CEx C 13 130.465 0.400 A 20 PHE CZ C 13 128.357 0.400 A 20 PHE N N 15 125.431 0.400 A 21 GLN H H 1 7.921 0.020 A 21 GLN HA H 1 3.806 0.020 A 21 GLN HBy H 1 2.270 0.020 A 21 GLN HBx H 1 2.105 0.020 A 21 GLN HE2x H 1 7.106 0.020 A 21 GLN HE2y H 1 7.937 0.020 A 21 GLN HGy H 1 2.776 0.020 A 21 GLN HGx H 1 2.680 0.020 A 21 GLN CA C 13 57.406 0.400 A 21 GLN CB C 13 28.151 0.400 A 21 GLN CG C 13 33.705 0.400 A 21 GLN N N 15 112.304 0.400 A 21 GLN NE2 N 15 113.480 0.400 A 22 ARG H H 1 7.408 0.020 A 22 ARG HA H 1 4.364 0.020 A 22 ARG HBx H 1 1.925 0.020 A 22 ARG HBy H 1 1.982 0.020 A 22 ARG HDx H 1 3.251 0.020 A 22 ARG HDy H 1 3.251 0.020 A 22 ARG HE H 1 7.295 0.020 A 22 ARG HGy H 1 1.798 0.020 A 22 ARG HGx H 1 1.679 0.020 A 22 ARG CA C 13 57.145 0.400 A 22 ARG CB C 13 31.565 0.400 A 22 ARG CD C 13 43.514 0.400 A 22 ARG CG C 13 27.584 0.400 A 22 ARG N N 15 116.707 0.400 A 22 ARG NE N 15 84.576 0.400 A 23 ASN H H 1 8.251 0.020 A 23 ASN HA H 1 4.483 0.020 A 23 ASN HBx H 1 2.743 0.020 A 23 ASN HBy H 1 2.743 0.020 A 23 ASN HD2x H 1 6.616 0.020 A 23 ASN HD2y H 1 7.538 0.020 A 23 ASN CA C 13 52.834 0.400 A 23 ASN CB C 13 38.563 0.400 A 23 ASN N N 15 119.274 0.400 A 23 ASN ND2 N 15 108.572 0.400 A 24 ARG H H 1 8.400 0.020 A 24 ARG HA H 1 3.800 0.020 A 24 ARG HBy H 1 1.280 0.020 A 24 ARG HBx H 1 0.902 0.020 A 24 ARG HDy H 1 1.709 0.020 A 24 ARG HDx H 1 1.627 0.020 A 24 ARG HE H 1 6.369 0.020 A 24 ARG HGy H 1 0.931 0.020 A 24 ARG HGx H 1 -0.293 0.020 A 24 ARG CA C 13 57.646 0.400 A 24 ARG CB C 13 31.003 0.400 A 24 ARG CD C 13 42.635 0.400 A 24 ARG CG C 13 27.148 0.400 A 24 ARG N N 15 121.408 0.400 A 24 ARG NE N 15 83.695 0.400 A 25 TYR H H 1 7.734 0.020 A 25 TYR HA H 1 4.658 0.020 A 25 TYR HBx H 1 2.560 0.020 A 25 TYR HBy H 1 3.136 0.020 A 25 TYR HDx H 1 7.077 0.020 A 25 TYR HDy H 1 7.077 0.020 A 25 TYR HEx H 1 6.805 0.020 A 25 TYR HEy H 1 6.805 0.020 A 25 TYR CA C 13 55.691 0.400 A 25 TYR CB C 13 39.135 0.400 A 25 TYR CDy C 13 133.508 0.400 A 25 TYR CEy C 13 117.782 0.400 A 25 TYR N N 15 113.992 0.400 A 26 PRO HA H 1 4.411 0.020 A 26 PRO HBx H 1 1.420 0.020 A 26 PRO HBy H 1 1.568 0.020 A 26 PRO HDx H 1 2.864 0.020 A 26 PRO HDy H 1 2.962 0.020 A 26 PRO HGy H 1 1.139 0.020 A 26 PRO HGx H 1 -0.124 0.020 A 26 PRO CA C 13 62.665 0.400 A 26 PRO CB C 13 31.053 0.400 A 26 PRO CD C 13 50.694 0.400 A 26 PRO CG C 13 25.672 0.400 A 27 ASP H H 1 8.467 0.020 A 27 ASP HA H 1 4.494 0.020 A 27 ASP HBy H 1 3.232 0.020 A 27 ASP HBx H 1 2.830 0.020 A 27 ASP CA C 13 52.530 0.400 A 27 ASP CB C 13 40.573 0.400 A 27 ASP N N 15 124.189 0.400 A 28 MET H H 1 8.687 0.020 A 28 MET HA H 1 3.861 0.020 A 28 MET HBy H 1 2.591 0.020 A 28 MET HBx H 1 2.450 0.020 A 28 MET HE% H 1 2.071 0.020 A 28 MET HGx H 1 2.125 0.020 A 28 MET HGy H 1 2.125 0.020 A 28 MET CA C 13 60.361 0.400 A 28 MET CB C 13 32.022 0.400 A 28 MET CG C 13 32.043 0.400 A 28 MET N N 15 119.367 0.400 A 29 SER H H 1 8.387 0.020 A 29 SER HA H 1 4.245 0.020 A 29 SER HBx H 1 3.899 0.020 A 29 SER HBy H 1 3.899 0.020 A 29 SER CA C 13 61.815 0.400 A 29 SER CB C 13 62.447 0.400 A 29 SER N N 15 113.279 0.400 A 30 THR H H 1 8.406 0.020 A 30 THR HA H 1 4.004 0.020 A 30 THR HB H 1 4.176 0.020 A 30 THR HG2% H 1 1.156 0.020 A 30 THR CA C 13 66.957 0.400 A 30 THR CB C 13 67.626 0.400 A 30 THR CG2 C 13 20.933 0.400 A 30 THR N N 15 120.829 0.400 A 31 ARG H H 1 8.955 0.020 A 31 ARG HA H 1 3.870 0.020 A 31 ARG HBy H 1 2.444 0.020 A 31 ARG HBx H 1 2.106 0.020 A 31 ARG HDy H 1 3.498 0.020 A 31 ARG HDx H 1 2.743 0.020 A 31 ARG HE H 1 9.343 0.020 A 31 ARG HGx H 1 0.647 0.020 A 31 ARG HGy H 1 0.647 0.020 A 31 ARG CA C 13 61.158 0.400 A 31 ARG CB C 13 32.455 0.400 A 31 ARG CD C 13 43.552 0.400 A 31 ARG CG C 13 29.762 0.400 A 31 ARG N N 15 120.944 0.400 A 31 ARG NE N 15 80.612 0.400 A 32 GLU H H 1 8.608 0.020 A 32 GLU HA H 1 3.993 0.020 A 32 GLU HBy H 1 2.303 0.020 A 32 GLU HBx H 1 2.042 0.020 A 32 GLU HGy H 1 2.569 0.020 A 32 GLU HGx H 1 2.216 0.020 A 32 GLU CA C 13 59.831 0.400 A 32 GLU CB C 13 29.233 0.400 A 32 GLU CG C 13 36.666 0.400 A 32 GLU N N 15 118.711 0.400 A 33 GLU H H 1 7.639 0.020 A 33 GLU HA H 1 3.997 0.020 A 33 GLU HBy H 1 2.176 0.020 A 33 GLU HBx H 1 2.021 0.020 A 33 GLU HGy H 1 2.338 0.020 A 33 GLU HGx H 1 2.039 0.020 A 33 GLU CA C 13 59.692 0.400 A 33 GLU CB C 13 29.352 0.400 A 33 GLU CG C 13 36.403 0.400 A 33 GLU N N 15 121.133 0.400 A 34 ILE H H 1 8.415 0.020 A 34 ILE HA H 1 3.631 0.020 A 34 ILE HB H 1 1.907 0.020 A 34 ILE HD1% H 1 0.858 0.020 A 34 ILE HG1x H 1 1.164 0.020 A 34 ILE HG1y H 1 1.890 0.020 A 34 ILE HG2% H 1 0.948 0.020 A 34 ILE CA C 13 64.728 0.400 A 34 ILE CB C 13 38.531 0.400 A 34 ILE CD1 C 13 14.960 0.400 A 34 ILE CG1 C 13 28.419 0.400 A 34 ILE CG2 C 13 18.462 0.400 A 34 ILE N N 15 119.761 0.400 A 35 ALA H H 1 8.551 0.020 A 35 ALA HA H 1 3.681 0.020 A 35 ALA HB% H 1 1.378 0.020 A 35 ALA CA C 13 55.709 0.400 A 35 ALA CB C 13 16.951 0.400 A 35 ALA N N 15 124.272 0.400 A 36 VAL H H 1 7.791 0.020 A 36 VAL HA H 1 3.818 0.020 A 36 VAL HB H 1 2.248 0.020 A 36 VAL HGx% H 1 0.966 0.020 A 36 VAL HGy% H 1 1.161 0.020 A 36 VAL CA C 13 66.484 0.400 A 36 VAL CB C 13 31.585 0.400 A 36 VAL CGx C 13 21.137 0.400 A 36 VAL CGy C 13 22.830 0.400 A 36 VAL N N 15 118.330 0.400 A 37 TRP H H 1 8.109 0.020 A 37 TRP HA H 1 4.631 0.020 A 37 TRP HBx H 1 3.429 0.020 A 37 TRP HBy H 1 3.479 0.020 A 37 TRP HD1 H 1 7.149 0.020 A 37 TRP HE1 H 1 10.220 0.020 A 37 TRP HE3 H 1 7.569 0.020 A 37 TRP HH2 H 1 7.251 0.020 A 37 TRP HZ2 H 1 7.466 0.020 A 37 TRP HZ3 H 1 7.112 0.020 A 37 TRP CA C 13 59.100 0.400 A 37 TRP CB C 13 29.815 0.400 A 37 TRP CD1 C 13 126.411 0.400 A 37 TRP CE3 C 13 120.736 0.400 A 37 TRP CH2 C 13 124.876 0.400 A 37 TRP CZ2 C 13 114.621 0.400 A 37 TRP CZ3 C 13 121.912 0.400 A 37 TRP N N 15 120.237 0.400 A 37 TRP NE1 N 15 128.911 0.400 A 38 THR H H 1 8.011 0.020 A 38 THR HA H 1 4.374 0.020 A 38 THR HB H 1 4.279 0.020 A 38 THR HG1 H 1 4.085 0.020 A 38 THR HG2% H 1 1.209 0.020 A 38 THR CA C 13 61.723 0.400 A 38 THR CB C 13 71.088 0.400 A 38 THR CG2 C 13 22.362 0.400 A 38 THR N N 15 104.809 0.400 A 39 ASN H H 1 7.925 0.020 A 39 ASN HA H 1 4.534 0.020 A 39 ASN HBx H 1 2.894 0.020 A 39 ASN HBy H 1 3.251 0.020 A 39 ASN HD2x H 1 6.887 0.020 A 39 ASN HD2y H 1 7.531 0.020 A 39 ASN CA C 13 54.907 0.400 A 39 ASN CB C 13 37.285 0.400 A 39 ASN N N 15 118.978 0.400 A 39 ASN ND2 N 15 112.226 0.400 A 40 LEU H H 1 8.635 0.020 A 40 LEU HA H 1 5.045 0.020 A 40 LEU HBy H 1 1.674 0.020 A 40 LEU HBx H 1 1.478 0.020 A 40 LEU HDx% H 1 1.707 0.020 A 40 LEU HDy% H 1 0.907 0.020 A 40 LEU HG H 1 1.122 0.020 A 40 LEU CA C 13 53.068 0.400 A 40 LEU CB C 13 47.111 0.400 A 40 LEU CDy C 13 26.887 0.400 A 40 LEU CDx C 13 25.947 0.400 A 40 LEU CG C 13 23.922 0.400 A 40 LEU N N 15 120.124 0.400 A 41 THR H H 1 7.081 0.020 A 41 THR HA H 1 4.715 0.020 A 41 THR HB H 1 4.715 0.020 A 41 THR HG2% H 1 1.358 0.020 A 41 THR CA C 13 59.511 0.400 A 41 THR CB C 13 71.419 0.400 A 41 THR CG2 C 13 22.313 0.400 A 41 THR N N 15 106.690 0.400 A 42 GLU H H 1 9.452 0.020 A 42 GLU HA H 1 3.630 0.020 A 42 GLU HBy H 1 2.363 0.020 A 42 GLU HBx H 1 1.935 0.020 A 42 GLU HGy H 1 2.651 0.020 A 42 GLU HGx H 1 2.138 0.020 A 42 GLU CA C 13 61.533 0.400 A 42 GLU CB C 13 28.416 0.400 A 42 GLU CG C 13 37.387 0.400 A 42 GLU N N 15 124.087 0.400 A 43 ALA H H 1 8.467 0.020 A 43 ALA HA H 1 4.010 0.020 A 43 ALA HB% H 1 1.495 0.020 A 43 ALA CA C 13 55.619 0.400 A 43 ALA CB C 13 18.599 0.400 A 43 ALA N N 15 119.687 0.400 A 44 ARG H H 1 7.657 0.020 A 44 ARG HA H 1 4.313 0.020 A 44 ARG HBy H 1 2.251 0.020 A 44 ARG HBx H 1 2.146 0.020 A 44 ARG HDy H 1 3.423 0.020 A 44 ARG HDx H 1 3.392 0.020 A 44 ARG HE H 1 7.406 0.020 A 44 ARG HGy H 1 2.167 0.020 A 44 ARG HGx H 1 1.988 0.020 A 44 ARG CA C 13 59.034 0.400 A 44 ARG CB C 13 31.485 0.400 A 44 ARG CD C 13 43.419 0.400 A 44 ARG CG C 13 27.611 0.400 A 44 ARG N N 15 116.856 0.400 A 44 ARG NE N 15 85.808 0.400 A 45 VAL H H 1 8.008 0.020 A 45 VAL HA H 1 3.764 0.020 A 45 VAL HB H 1 2.445 0.020 A 45 VAL HGx% H 1 1.175 0.020 A 45 VAL HGy% H 1 1.053 0.020 A 45 VAL CA C 13 67.308 0.400 A 45 VAL CB C 13 32.535 0.400 A 45 VAL CGx C 13 22.328 0.400 A 45 VAL CGy C 13 23.408 0.400 A 45 VAL N N 15 120.046 0.400 A 46 ARG H H 1 9.432 0.020 A 46 ARG HA H 1 3.934 0.020 A 46 ARG HBy H 1 2.264 0.020 A 46 ARG HBx H 1 2.113 0.020 A 46 ARG HDx H 1 3.360 0.020 A 46 ARG HDy H 1 3.360 0.020 A 46 ARG HE H 1 8.193 0.020 A 46 ARG HGy H 1 1.722 0.020 A 46 ARG HGx H 1 1.587 0.020 A 46 ARG CA C 13 60.608 0.400 A 46 ARG CB C 13 30.569 0.400 A 46 ARG CD C 13 43.539 0.400 A 46 ARG CG C 13 26.125 0.400 A 46 ARG N N 15 121.544 0.400 A 46 ARG NE N 15 83.040 0.400 A 47 VAL H H 1 8.103 0.020 A 47 VAL HA H 1 3.642 0.020 A 47 VAL HB H 1 2.290 0.020 A 47 VAL HGx% H 1 1.125 0.020 A 47 VAL HGy% H 1 1.117 0.020 A 47 VAL CA C 13 67.087 0.400 A 47 VAL CB C 13 32.467 0.400 A 47 VAL CGy C 13 24.364 0.400 A 47 VAL CGx C 13 22.915 0.400 A 47 VAL N N 15 120.747 0.400 A 48 TRP H H 1 8.430 0.020 A 48 TRP HA H 1 4.883 0.020 A 48 TRP HBy H 1 3.455 0.020 A 48 TRP HBx H 1 3.217 0.020 A 48 TRP HD1 H 1 6.991 0.020 A 48 TRP HE1 H 1 9.314 0.020 A 48 TRP HE3 H 1 6.551 0.020 A 48 TRP HH2 H 1 6.432 0.020 A 48 TRP HZ2 H 1 7.149 0.020 A 48 TRP HZ3 H 1 5.568 0.020 A 48 TRP CD1 C 13 128.658 0.400 A 48 TRP CE3 C 13 120.869 0.400 A 48 TRP CH2 C 13 122.976 0.400 A 48 TRP CZ2 C 13 113.726 0.400 A 48 TRP CZ3 C 13 120.758 0.400 A 48 TRP N N 15 122.857 0.400 A 48 TRP NE1 N 15 129.073 0.400 A 49 PHE H H 1 9.045 0.020 A 49 PHE HA H 1 3.715 0.020 A 49 PHE HBx H 1 3.291 0.020 A 49 PHE HBy H 1 3.291 0.020 A 49 PHE HDx H 1 7.812 0.020 A 49 PHE HDy H 1 7.812 0.020 A 49 PHE HEx H 1 7.599 0.020 A 49 PHE HEy H 1 7.599 0.020 A 49 PHE HZ H 1 7.453 0.020 A 49 PHE CA C 13 63.608 0.400 A 49 PHE CB C 13 39.456 0.400 A 49 PHE CDx C 13 132.161 0.400 A 49 PHE CEx C 13 132.090 0.400 A 49 PHE CZ C 13 129.906 0.400 A 49 PHE N N 15 118.314 0.400 A 50 LYS H H 1 7.915 0.020 A 50 LYS HA H 1 3.942 0.020 A 50 LYS HBy H 1 2.258 0.020 A 50 LYS HBx H 1 1.972 0.020 A 50 LYS HDy H 1 1.734 0.020 A 50 LYS HDx H 1 1.493 0.020 A 50 LYS HEy H 1 2.940 0.020 A 50 LYS HEx H 1 2.687 0.020 A 50 LYS HGy H 1 1.490 0.020 A 50 LYS HGx H 1 1.102 0.020 A 50 LYS HZ1 H 1 7.483 0.020 A 50 LYS HZ2 H 1 7.483 0.020 A 50 LYS HZ3 H 1 7.483 0.020 A 50 LYS CA C 13 60.667 0.400 A 50 LYS CB C 13 33.213 0.400 A 50 LYS CD C 13 29.980 0.400 A 50 LYS CE C 13 42.164 0.400 A 50 LYS N N 15 121.307 0.400 A 51 ASN H H 1 8.669 0.020 A 51 ASN HA H 1 4.506 0.020 A 51 ASN HBx H 1 2.497 0.020 A 51 ASN HBy H 1 2.882 0.020 A 51 ASN HD2y H 1 8.907 0.020 A 51 ASN HD2x H 1 8.425 0.020 A 51 ASN CA C 13 56.168 0.400 A 51 ASN CB C 13 38.233 0.400 A 51 ASN N N 15 119.377 0.400 A 51 ASN ND2 N 15 123.600 0.400 A 52 ARG H H 1 8.851 0.020 A 52 ARG HA H 1 3.682 0.020 A 52 ARG HBx H 1 -0.505 0.020 A 52 ARG HBy H 1 0.669 0.020 A 52 ARG HDx H 1 2.174 0.020 A 52 ARG HDy H 1 2.430 0.020 A 52 ARG HE H 1 9.861 0.020 A 52 ARG HGy H 1 -0.209 0.020 A 52 ARG HGx H 1 -0.597 0.020 A 52 ARG CB C 13 27.575 0.400 A 52 ARG CD C 13 40.422 0.400 A 52 ARG CG C 13 23.837 0.400 A 52 ARG N N 15 125.530 0.400 A 52 ARG NE N 15 89.969 0.400 A 53 ARG H H 1 8.620 0.020 A 53 ARG HA H 1 4.299 0.020 A 53 ARG HBx H 1 2.237 0.020 A 53 ARG HBy H 1 2.484 0.020 A 53 ARG HDx H 1 2.624 0.020 A 53 ARG HE H 1 7.665 0.020 A 53 ARG HGy H 1 2.001 0.020 A 53 ARG HGx H 1 1.261 0.020 A 53 ARG CA C 13 61.263 0.400 A 53 ARG CB C 13 31.479 0.400 A 53 ARG CD C 13 43.141 0.400 A 53 ARG N N 15 120.194 0.400 A 53 ARG NE N 15 83.170 0.400 A 54 ALA H H 1 7.386 0.020 A 54 ALA HA H 1 4.340 0.020 A 54 ALA HB% H 1 1.604 0.020 A 54 ALA CA C 13 55.635 0.400 A 54 ALA CB C 13 17.490 0.400 A 54 ALA N N 15 121.998 0.400 A 55 LYS H H 1 7.716 0.020 A 55 LYS HA H 1 4.066 0.020 A 55 LYS HBy H 1 1.957 0.020 A 55 LYS HBx H 1 1.825 0.020 A 55 LYS HDy H 1 1.698 0.020 A 55 LYS HDx H 1 1.520 0.020 A 55 LYS HEx H 1 2.853 0.020 A 55 LYS HEy H 1 2.853 0.020 A 55 LYS HGy H 1 1.454 0.020 A 55 LYS HGx H 1 1.239 0.020 A 55 LYS CA C 13 59.624 0.400 A 55 LYS CD C 13 29.980 0.400 A 55 LYS CE C 13 41.868 0.400 A 55 LYS CG C 13 25.012 0.400 A 55 LYS N N 15 120.111 0.400 A 56 TRP H H 1 8.362 0.020 A 56 TRP HA H 1 4.571 0.020 A 56 TRP HBx H 1 3.410 0.020 A 56 TRP HBy H 1 3.949 0.020 A 56 TRP HD1 H 1 7.488 0.020 A 56 TRP HE1 H 1 10.353 0.020 A 56 TRP HE3 H 1 7.705 0.020 A 56 TRP HH2 H 1 7.191 0.020 A 56 TRP HZ2 H 1 7.473 0.020 A 56 TRP HZ3 H 1 7.183 0.020 A 56 TRP CA C 13 60.423 0.400 A 56 TRP CB C 13 29.651 0.400 A 56 TRP CD1 C 13 127.612 0.400 A 56 TRP CE3 C 13 119.866 0.400 A 56 TRP CH2 C 13 124.592 0.400 A 56 TRP CZ2 C 13 114.671 0.400 A 56 TRP CZ3 C 13 121.984 0.400 A 56 TRP N N 15 121.249 0.400 A 56 TRP NE1 N 15 130.508 0.400 A 57 ARG H H 1 8.464 0.020 A 57 ARG HA H 1 3.878 0.020 A 57 ARG HBy H 1 2.205 0.020 A 57 ARG HBx H 1 1.970 0.020 A 57 ARG HDy H 1 3.592 0.020 A 57 ARG HDx H 1 3.348 0.020 A 57 ARG HE H 1 7.473 0.020 A 57 ARG HGy H 1 2.191 0.020 A 57 ARG HGx H 1 1.804 0.020 A 57 ARG CA C 13 59.707 0.400 A 57 ARG CB C 13 31.292 0.400 A 57 ARG CD C 13 44.035 0.400 A 57 ARG CG C 13 29.269 0.400 A 57 ARG N N 15 117.543 0.400 A 57 ARG NE N 15 85.718 0.400 A 58 LYS H H 1 7.770 0.020 A 58 LYS HA H 1 4.208 0.020 A 58 LYS HBx H 1 1.968 0.020 A 58 LYS HBy H 1 1.968 0.020 A 58 LYS HDx H 1 1.713 0.020 A 58 LYS HDy H 1 1.713 0.020 A 58 LYS HEx H 1 3.025 0.020 A 58 LYS HEy H 1 3.025 0.020 A 58 LYS HGy H 1 1.664 0.020 A 58 LYS HGx H 1 1.527 0.020 A 58 LYS CA C 13 58.299 0.400 A 58 LYS CB C 13 33.132 0.400 A 58 LYS CD C 13 29.095 0.400 A 58 LYS CE C 13 42.193 0.400 A 58 LYS CG C 13 25.314 0.400 A 58 LYS N N 15 118.252 0.400 A 59 ARG H H 1 7.978 0.020 A 59 ARG HA H 1 4.403 0.020 A 59 ARG HBy H 1 1.913 0.020 A 59 ARG HBx H 1 1.844 0.020 A 59 ARG HDx H 1 3.104 0.020 A 59 ARG HDy H 1 3.104 0.020 A 59 ARG HE H 1 7.278 0.020 A 59 ARG HGx H 1 1.637 0.020 A 59 ARG HGy H 1 1.637 0.020 A 59 ARG CA C 13 56.217 0.400 A 59 ARG CB C 13 31.201 0.400 A 59 ARG CD C 13 43.212 0.400 A 59 ARG CG C 13 27.051 0.400 A 59 ARG N N 15 116.854 0.400 A 59 ARG NE N 15 84.710 0.400 A 60 GLU H H 1 8.078 0.020 A 60 GLU HA H 1 3.983 0.020 A 60 GLU HBx H 1 1.809 0.020 A 60 GLU HBy H 1 1.809 0.020 A 60 GLU HGx H 1 2.030 0.020 A 60 GLU HGy H 1 2.030 0.020 A 60 GLU CA C 13 56.923 0.400 A 60 GLU CB C 13 30.001 0.400 A 60 GLU CG C 13 36.596 0.400 A 60 GLU N N 15 119.450 0.400 A 61 GLU H H 1 7.889 0.020 A 61 GLU HA H 1 3.774 0.020 A 61 GLU HBy H 1 1.716 0.020 A 61 GLU HBx H 1 1.342 0.020 A 61 GLU HGy H 1 2.052 0.020 A 61 GLU HGx H 1 1.853 0.020 A 61 GLU CA C 13 57.450 0.400 A 61 GLU CB C 13 29.897 0.400 A 61 GLU CG C 13 36.449 0.400 A 61 GLU N N 15 120.134 0.400 A 62 PHE H H 1 7.731 0.020 A 62 PHE HA H 1 4.578 0.020 A 62 PHE HBx H 1 3.037 0.020 A 62 PHE HBy H 1 3.037 0.020 A 62 PHE HDx H 1 7.103 0.020 A 62 PHE HDy H 1 7.103 0.020 A 62 PHE HEx H 1 7.342 0.020 A 62 PHE HEy H 1 7.342 0.020 A 62 PHE HZ H 1 7.295 0.020 A 62 PHE CA C 13 56.961 0.400 A 62 PHE CB C 13 39.297 0.400 A 62 PHE CDy C 13 131.804 0.400 A 62 PHE CEy C 13 131.760 0.400 A 62 PHE CZ C 13 129.932 0.400 A 62 PHE N N 15 118.794 0.400 A 63 ILE H H 1 7.802 0.020 A 63 ILE HA H 1 4.130 0.020 A 63 ILE HB H 1 1.794 0.020 A 63 ILE HD1% H 1 0.839 0.020 A 63 ILE HG1y H 1 1.397 0.020 A 63 ILE HG1x H 1 1.108 0.020 A 63 ILE HG2% H 1 0.845 0.020 A 63 ILE CA C 13 60.934 0.400 A 63 ILE CB C 13 38.543 0.400 A 63 ILE CD1 C 13 12.531 0.400 A 63 ILE CG1 C 13 27.181 0.400 A 63 ILE CG2 C 13 17.316 0.400 A 63 ILE N N 15 123.529 0.400 A 64 VAL H H 1 8.292 0.020 A 64 VAL HA H 1 4.197 0.020 A 64 VAL HB H 1 2.097 0.020 A 64 VAL HGx% H 1 1.001 0.020 A 64 VAL HGy% H 1 0.997 0.020 A 64 VAL CA C 13 62.225 0.400 A 64 VAL CB C 13 32.811 0.400 A 64 VAL CGx C 13 20.994 0.400 A 64 VAL CGy C 13 21.303 0.400 A 64 VAL N N 15 125.799 0.400 A 65 THR H H 1 8.353 0.020 A 65 THR HA H 1 4.440 0.020 A 65 THR HB H 1 4.290 0.020 A 65 THR HG2% H 1 1.204 0.020 A 65 THR CA C 13 61.236 0.400 A 65 THR CB C 13 70.114 0.400 A 65 THR CG2 C 13 21.272 0.400 A 65 THR N N 15 118.825 0.400 A 66 ASP H H 1 8.003 0.020 A 66 ASP HA H 1 4.426 0.020 A 66 ASP HBy H 1 2.690 0.020 A 66 ASP HBx H 1 2.577 0.020 A 66 ASP CA C 13 55.922 0.400 A 66 ASP CB C 13 42.144 0.400 A 66 ASP N N 15 128.451 0.400 stop_ save_ save_AMBER_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 C 89 DG H5' A 3 ARG HBy 1.0 1.80 7.23 2 1 C 89 DG H5' A 2 ARG HBy 1.0 1.80 7.23 3 2 A 3 ARG HBy C 88 DA H5' 1.0 1.80 7.23 4 2 A 2 ARG HBy C 88 DA H5' 1.0 1.80 7.23 5 3 C 89 DG H8 A 2 ARG HDy 1.0 1.80 8.06 6 3 C 89 DG H8 A 2 ARG HDx 1.0 1.80 8.06 7 3 C 89 DG H8 A 3 ARG HDy 1.0 1.80 8.06 8 3 C 89 DG H8 A 3 ARG HDx 1.0 1.80 8.06 9 4 C 89 DG H5' A 2 ARG HGy 1.0 1.80 7.71 10 4 C 89 DG H5' A 2 ARG HGx 1.0 1.80 7.71 11 4 C 89 DG H5' A 3 ARG HBx 1.0 1.80 7.71 12 5 A 2 ARG HGy C 89 DG H3' 1.0 1.80 7.71 13 5 A 2 ARG HGx C 89 DG H3' 1.0 1.80 7.71 14 5 A 3 ARG HBx C 89 DG H3' 1.0 1.80 7.71 15 6 C 88 DA H5' A 2 ARG HGy 1.0 1.80 7.71 16 6 C 88 DA H5' A 2 ARG HGx 1.0 1.80 7.71 17 6 C 88 DA H5' A 3 ARG HBx 1.0 1.80 7.71 18 7 A 3 ARG HBy B 73 DA H1' 1.0 1.80 7.23 19 7 A 2 ARG HBy B 73 DA H1' 1.0 1.80 7.23 20 8 A 3 ARG HBy B 72 DA H2 1.0 1.80 7.23 21 8 A 2 ARG HBy B 72 DA H2 1.0 1.80 7.23 22 9 A 2 ARG HGy B 74 DT H1' 1.0 1.80 7.71 23 9 A 2 ARG HGx B 74 DT H1' 1.0 1.80 7.71 24 9 A 3 ARG HBx B 74 DT H1' 1.0 1.80 7.71 25 10 A 2 ARG HGy B 72 DA H2 1.0 1.80 7.71 26 10 A 2 ARG HGx B 72 DA H2 1.0 1.80 7.71 27 10 A 3 ARG HBx B 72 DA H2 1.0 1.80 7.71 28 11 A 2 ARG HGy B 73 DA H1' 1.0 1.80 7.71 29 11 A 2 ARG HGx B 73 DA H1' 1.0 1.80 7.71 30 11 A 3 ARG HBx B 73 DA H1' 1.0 1.80 7.71 31 12 A 2 ARG HDy C 86 DT H1' 1.0 1.80 8.06 32 12 A 2 ARG HDx C 86 DT H1' 1.0 1.80 8.06 33 12 A 3 ARG HDy C 86 DT H1' 1.0 1.80 8.06 34 12 A 3 ARG HDx C 86 DT H1' 1.0 1.80 8.06 35 13 A 2 ARG HDy B 73 DA H1' 1.0 1.80 8.06 36 13 A 2 ARG HDx B 73 DA H1' 1.0 1.80 8.06 37 13 A 3 ARG HDy B 73 DA H1' 1.0 1.80 8.06 38 13 A 3 ARG HDx B 73 DA H1' 1.0 1.80 8.06 39 14 A 2 ARG HDx B 72 DA H2 1.0 1.80 8.06 40 14 A 2 ARG HDy B 72 DA H2 1.0 1.80 8.06 41 14 A 3 ARG HDy B 72 DA H2 1.0 1.80 8.06 42 14 A 3 ARG HDx B 72 DA H2 1.0 1.80 8.06 43 15 A 2 ARG HDx C 88 DA H1' 1.0 1.80 8.06 44 15 A 3 ARG HDy C 88 DA H1' 1.0 1.80 8.06 45 15 A 3 ARG HDx C 88 DA H1' 1.0 1.80 8.06 46 15 A 2 ARG HDy C 88 DA H1' 1.0 1.80 8.06 47 16 A 2 ARG HDx C 89 DG H3' 1.0 1.80 8.06 48 16 A 2 ARG HDy C 89 DG H3' 1.0 1.80 8.06 49 16 A 3 ARG HDy C 89 DG H3' 1.0 1.80 8.06 50 16 A 3 ARG HDx C 89 DG H3' 1.0 1.80 8.06 51 17 B 73 DA H4' A 50 LYS HGx 1.0 1.80 8.80 52 17 B 73 DA H4' A 47 VAL HGy% 1.0 1.80 8.80 53 17 B 73 DA H4' A 47 VAL HGx% 1.0 1.80 8.80 54 18 A 47 VAL HGx% B 72 DA H3' 1.0 1.80 8.80 55 18 A 50 LYS HGx B 72 DA H3' 1.0 1.80 8.80 56 18 A 47 VAL HGy% B 72 DA H3' 1.0 1.80 8.80 57 19 B 74 DT H1' A 47 VAL HGx% 1.0 1.80 8.80 58 19 B 74 DT H1' A 47 VAL HGy% 1.0 1.80 8.80 59 20 A 47 VAL HGy% B 73 DA H2'' 1.0 1.80 8.80 60 20 A 47 VAL HGx% B 73 DA H2'' 1.0 1.80 8.80 61 20 A 50 LYS HGx B 73 DA H2'' 1.0 1.80 8.80 62 21 A 50 LYS HGx B 72 DA H1' 1.0 1.80 8.80 63 21 A 47 VAL HGx% B 72 DA H1' 1.0 1.80 8.80 64 21 A 47 VAL HGy% B 72 DA H1' 1.0 1.80 8.80 65 22 A 50 LYS HGx B 73 DA H3' 1.0 1.80 8.80 66 22 A 47 VAL HGy% B 73 DA H3' 1.0 1.80 8.80 67 22 A 47 VAL HGx% B 73 DA H3' 1.0 1.80 8.80 68 23 A 50 LYS HGx B 74 DT H6 1.0 1.80 8.80 69 23 A 47 VAL HGy% B 74 DT H6 1.0 1.80 8.80 70 23 A 47 VAL HGx% B 74 DT H6 1.0 1.80 8.80 71 24 B 73 DA H1' A 47 VAL HGx% 1.0 1.80 8.80 72 24 B 73 DA H1' A 50 LYS HGx 1.0 1.80 8.80 73 24 B 73 DA H1' A 47 VAL HGy% 1.0 1.80 8.80 74 25 A 47 VAL HGx% B 73 DA H8 1.0 1.80 8.80 75 25 A 50 LYS HGx B 73 DA H8 1.0 1.80 8.80 76 25 A 47 VAL HGy% B 73 DA H8 1.0 1.80 8.80 77 26 A 50 LYS HGx B 72 DA H8 1.0 1.80 8.80 78 26 A 47 VAL HGx% B 72 DA H8 1.0 1.80 8.80 79 26 A 47 VAL HGy% B 72 DA H8 1.0 1.80 8.80 80 27 A 54 ALA HB% C 86 DT H3 1.0 1.80 7.71 81 28 B 71 DT H3 A 58 LYS HEy 1.0 1.80 7.23 82 28 A 58 LYS HEx B 71 DT H3 1.0 1.80 7.23 83 29 A 50 LYS HDx B 75 DC H5 1.0 1.80 7.50 84 30 A 5 ARG HDx C 88 DA H2 1.0 1.80 6.50 85 31 C 83 DG H8 A 25 TYR HEy 1.0 1.80 7.23 86 31 A 25 TYR HEx C 83 DG H8 1.0 1.80 7.23 87 32 B 72 DA H1' A 5 ARG HDy 1.0 1.80 6.50 88 33 B 72 DA H8 A 8 PHE HZ 1.0 1.80 6.50 89 34 A 50 LYS HGx C 84 DG H1 1.0 1.80 6.50 90 35 A 50 LYS HEx C 83 DG H1 1.0 1.80 6.50 91 36 B 75 DC H5 A 50 LYS HDy 1.0 1.80 6.50 92 37 B 72 DA H8 A 6 THR HG2% 1.0 1.80 7.71 93 38 B 72 DA H3' A 4 GLN HBy 1.0 1.80 7.23 94 38 B 72 DA H3' A 4 GLN HBx 1.0 1.80 7.23 95 39 A 50 LYS HGy C 85 DA H6x 1.0 1.80 6.50 96 40 B 72 DA H1' A 5 ARG HDx 1.0 1.80 6.50 97 41 B 72 DA H1' A 6 THR HG2% 1.0 1.80 7.71 98 42 B 72 DA H8 A 8 PHE HDy 1.0 1.80 7.23 99 42 B 72 DA H8 A 8 PHE HDx 1.0 1.80 7.23 100 43 A 50 LYS HEy B 74 DT H3 1.0 1.80 6.50 101 44 C 82 DG H1' A 25 TYR HDy 1.0 1.80 7.23 102 44 A 25 TYR HDx C 82 DG H1' 1.0 1.80 7.23 103 45 B 72 DA H1' A 5 ARG HGx 1.0 1.80 6.50 104 46 B 74 DT H6 A 50 LYS HEy 1.0 1.80 6.50 105 47 A 50 LYS HGx B 75 DC H5 1.0 1.80 7.50 106 48 A 28 MET HE% C 80 DC H1' 1.0 1.80 7.71 107 49 B 74 DT H6 A 50 LYS HEx 1.0 1.80 6.50 108 50 A 50 LYS HEx B 74 DT H3 1.0 1.80 6.50 109 51 A 58 LYS HEy C 85 DA H8 1.0 1.80 7.23 110 51 A 58 LYS HEx C 85 DA H8 1.0 1.80 7.23 111 52 A 50 LYS HGx B 74 DT H3 1.0 1.80 6.50 112 53 B 72 DA H3' A 5 ARG HGx 1.0 1.80 6.50 113 54 B 72 DA H3' A 5 ARG HGy 1.0 1.80 6.50 114 55 B 72 DA H8 A 51 ASN HBx 1.0 1.80 6.50 115 56 A 25 TYR HEy C 82 DG H8 1.0 1.80 7.23 116 56 A 25 TYR HEx C 82 DG H8 1.0 1.80 7.23 117 57 C 81 DG H1' A 46 ARG HDy 1.0 1.80 7.23 118 57 A 46 ARG HDx C 81 DG H1' 1.0 1.80 7.23 119 58 C 84 DG H1 A 50 LYS HEy 1.0 1.80 6.50 120 59 B 72 DA H8 A 51 ASN HBy 1.0 1.80 6.50 121 60 B 72 DA H3' A 6 THR HA 1.0 1.80 6.50 122 61 C 82 DG H8 A 46 ARG HDy 1.0 1.80 7.23 123 61 C 82 DG H8 A 46 ARG HDx 1.0 1.80 7.23 124 62 A 25 TYR HEy C 82 DG H1' 1.0 1.80 7.23 125 62 A 25 TYR HEx C 82 DG H1' 1.0 1.80 7.23 126 63 C 83 DG H8 A 50 LYS HEy 1.0 1.80 6.50 127 64 C 84 DG H1 A 50 LYS HEx 1.0 1.80 6.50 128 65 A 50 LYS HEx C 84 DG H8 1.0 1.80 7.50 129 66 A 46 ARG HDy C 81 DG H8 1.0 1.80 7.23 130 66 A 46 ARG HDx C 81 DG H8 1.0 1.80 7.23 131 67 B 72 DA H1' A 5 ARG HGy 1.0 1.80 6.50 132 68 C 83 DG H8 A 50 LYS HEx 1.0 1.80 6.50 133 69 A 28 MET HE% C 81 DG H8 1.0 1.80 7.71 134 70 B 72 DA H3' A 6 THR HB 1.0 1.80 6.50 135 71 A 58 LYS HEy C 84 DG H8 1.0 1.80 7.23 136 71 A 58 LYS HEx C 84 DG H8 1.0 1.80 7.23 137 72 A 50 LYS HEy B 75 DC H4y 1.0 1.80 6.50 138 73 A 50 LYS HEx B 75 DC H4x 1.0 1.80 6.50 139 74 B 72 DA H3' A 8 PHE HDy 1.0 1.80 7.23 140 74 B 72 DA H3' A 8 PHE HDx 1.0 1.80 7.23 141 75 B 75 DC H5 A 50 LYS HEy 1.0 1.80 6.50 142 76 B 72 DA H3' A 13 LEU HDy% 1.0 1.80 7.71 143 77 B 75 DC H5 A 50 LYS HEx 1.0 1.80 6.50 144 78 A 8 PHE HDy B 72 DA H4' 1.0 1.80 7.23 145 78 A 8 PHE HDx B 72 DA H4' 1.0 1.80 7.23 146 79 A 50 LYS HEx B 75 DC H4y 1.0 1.80 6.50 147 80 A 50 LYS HEy B 75 DC H4x 1.0 1.80 6.50 148 81 B 72 DA H3' A 8 PHE HZ 1.0 1.80 6.50 149 82 B 72 DA H4' A 8 PHE HEy 1.0 1.80 7.23 150 82 B 72 DA H4' A 8 PHE HEx 1.0 1.80 7.23 151 83 A 54 ALA HB% C 84 DG H8 1.0 1.80 7.71 152 84 A 46 ARG HDy C 81 DG H3' 1.0 1.80 7.23 153 84 A 46 ARG HDx C 81 DG H3' 1.0 1.80 7.23 154 85 B 72 DA H3' A 6 THR HG2% 1.0 1.80 7.71 155 86 A 50 LYS HEx C 82 DG H8 1.0 1.80 6.50 156 87 A 50 LYS HEy B 75 DC H6 1.0 1.80 7.50 157 88 A 8 PHE HDy B 72 DA H5' 1.0 1.80 7.23 158 88 A 8 PHE HDx B 72 DA H5' 1.0 1.80 7.23 159 89 A 50 LYS HEy C 82 DG H8 1.0 1.80 6.50 160 90 A 6 THR HG2% B 72 DA H4' 1.0 1.80 7.71 161 91 A 25 TYR HDy C 82 DG H5'' 1.0 1.80 7.23 162 91 A 25 TYR HDx C 82 DG H5'' 1.0 1.80 7.23 163 92 A 8 PHE HEy B 72 DA H5'' 1.0 1.80 7.23 164 92 A 8 PHE HEx B 72 DA H5'' 1.0 1.80 7.23 165 93 A 25 TYR HDy C 82 DG H4' 1.0 1.80 7.23 166 93 A 25 TYR HDx C 82 DG H4' 1.0 1.80 7.23 167 94 A 58 LYS HEy C 86 DT H71 1.0 1.80 8.06 168 94 A 58 LYS HEx C 86 DT H71 1.0 1.80 8.06 169 95 A 50 LYS HEx B 75 DC H6 1.0 1.80 7.50 170 96 A 8 PHE HEy B 72 DA H5' 1.0 1.80 7.23 171 96 A 8 PHE HEx B 72 DA H5' 1.0 1.80 7.23 172 97 B 72 DA H3' A 8 PHE HEy 1.0 1.80 7.23 173 97 B 72 DA H3' A 8 PHE HEx 1.0 1.80 7.23 174 98 A 25 TYR HDy C 82 DG H5' 1.0 1.80 7.23 175 98 A 25 TYR HDx C 82 DG H5' 1.0 1.80 7.23 176 99 A 6 THR HG2% B 72 DA H5' 1.0 1.80 7.71 177 100 A 8 PHE HDy B 72 DA H5'' 1.0 1.80 7.23 178 100 A 8 PHE HDx B 72 DA H5'' 1.0 1.80 7.23 179 101 A 25 TYR HEy C 82 DG H5'' 1.0 1.80 7.23 180 101 A 25 TYR HEx C 82 DG H5'' 1.0 1.80 7.23 181 102 A 25 TYR HEy C 82 DG H5' 1.0 1.80 7.23 182 102 A 25 TYR HEx C 82 DG H5' 1.0 1.80 7.23 183 103 A 25 TYR HEy C 82 DG H4' 1.0 1.80 7.23 184 103 A 25 TYR HEx C 82 DG H4' 1.0 1.80 7.23 185 104 A 50 LYS HEy B 74 DT H71 1.0 1.80 7.23 186 105 A 50 LYS HEx B 74 DT H71 1.0 1.80 7.23 187 106 C 82 DG H8 A 46 ARG HGx 1.0 1.80 6.50 188 107 C 82 DG H8 A 46 ARG HGy 1.0 1.80 6.50 189 108 A 54 ALA HB% C 85 DA H6x 1.0 1.80 7.71 190 109 A 28 MET HE% C 80 DC H4' 1.0 1.80 7.71 191 110 B 74 DT H71 A 47 VAL HA 1.0 1.80 7.23 192 111 B 74 DT H6 A 47 VAL HA 1.0 1.80 7.00 193 112 B 72 DA H8 A 47 VAL HA 1.0 1.80 7.50 194 113 B 73 DA H8 A 47 VAL HA 1.0 1.80 6.50 195 114 B 73 DA H8 A 47 VAL HB 1.0 1.80 6.50 196 115 B 72 DA H1' A 6 THR H 1.0 1.80 6.50 197 116 B 72 DA H8 A 51 ASN HD2y 1.0 1.80 6.50 198 117 B 73 DA H8 A 51 ASN HD2y 1.0 1.80 6.50 199 118 B 72 DA H2 A 51 ASN HD2x 1.0 1.80 6.50 200 119 B 72 DA H8 A 51 ASN HD2x 1.0 1.80 6.50 201 120 B 72 DA H1' A 51 ASN HD2x 1.0 1.80 6.50 202 121 A 51 ASN HD2x B 73 DA H6y 1.0 1.80 6.50 203 122 B 73 DA H8 A 51 ASN HD2x 1.0 1.80 6.50 204 123 B 72 DA H8 A 51 ASN H 1.0 1.80 6.50 205 124 B 75 DC H4y A 50 LYS HZ% 1.0 1.80 6.50 206 125 B 73 DA H6y A 50 LYS HZ% 1.0 1.80 10.11 207 126 C 84 DG H1 A 50 LYS HZ% 1.0 1.80 7.71 208 127 B 75 DC H5 A 50 LYS HZ% 1.0 1.80 10.11 209 128 A 50 LYS HZ% C 85 DA H6y 1.0 1.80 7.00 210 129 B 75 DC H4x A 50 LYS HZ% 1.0 1.80 6.50 211 130 B 71 DT H6 A 55 LYS HEy 1.0 1.80 7.23 212 130 A 55 LYS HEx B 71 DT H6 1.0 1.80 7.23 213 131 C 84 DG H1 C 83 DG H1 1.0 2.51 5.64 214 132 C 84 DG H1 C 83 DG H1 1.0 2.43 5.49 215 133 C 84 DG H1 C 84 DG H1' 1.0 2.76 6.16 216 134 C 84 DG H1 B 75 DC H1' 1.0 2.55 5.74 217 135 C 89 DG H1 C 90 DA H2 1.0 2.86 6.38 218 136 C 84 DG H1 B 74 DT H3 1.0 2.65 5.95 219 137 C 91 DG H1 B 68 DC H4x 1.0 2.78 6.21 220 138 C 89 DG H1 B 70 DC H4x 1.0 2.69 6.01 221 139 C 84 DG H1 B 76 DC H4y 1.0 2.78 6.21 222 140 C 83 DG H1 B 76 DC H4y 1.0 2.10 5.23 223 141 C 84 DG H1 B 75 DC H4y 1.0 2.00 4.90 224 142 B 75 DC H5 C 84 DG H1 1.0 2.00 4.97 225 143 C 83 DG H1 B 77 DC H5 1.0 2.83 6.30 226 144 B 75 DC H5 C 83 DG H1 1.0 2.71 6.06 227 145 C 89 DG H1 B 70 DC H5 1.0 2.62 5.88 228 146 C 84 DG H1 B 76 DC H5 1.0 2.58 5.90 229 147 C 84 DG H1 B 74 DT H71 1.0 2.85 7.71 230 148 C 84 DG H1 C 85 DA H1' 1.0 2.68 6.00 231 149 C 84 DG H1 B 75 DC H1' 1.0 2.55 5.73 232 150 C 86 DT H1' C 85 DA H1' 1.0 2.00 5.05 233 151 C 91 DG H1' C 92 DC H1' 1.0 2.38 5.38 234 152 B 78 DC H1' B 79 DG H1' 1.0 2.44 5.51 235 153 C 86 DT H1' C 85 DA H1' 1.0 2.00 5.01 236 154 B 75 DC H1' C 85 DA H2 1.0 2.00 4.73 237 155 C 86 DT H1' B 73 DA H2 1.0 2.35 5.33 238 156 B 78 DC H1' B 78 DC H2' 1.0 2.00 4.10 239 157 C 86 DT H1' C 86 DT H2' 1.0 2.00 4.52 240 158 C 86 DT H1' C 87 DT H2' 1.0 2.70 6.04 241 159 B 73 DA H1' B 73 DA H2'' 1.0 2.00 4.83 242 160 B 75 DC H1' B 75 DC H2'' 1.0 2.00 3.69 243 161 C 90 DA H1' C 90 DA H2'' 1.0 2.00 3.91 244 162 C 88 DA H1' C 88 DA H2'' 1.0 2.33 5.90 245 163 C 84 DG H1' C 84 DG H2'' 1.0 2.00 4.34 246 164 B 74 DT H3 B 75 DC H1' 1.0 2.87 6.39 247 165 C 86 DT H1' C 86 DT H3 1.0 2.66 5.97 248 166 C 86 DT H1' B 74 DT H3 1.0 2.90 6.45 249 167 B 72 DA H3' B 72 DA H1' 1.0 2.50 5.63 250 168 C 89 DG H3' C 89 DG H1' 1.0 2.38 5.38 251 169 B 67 DG H1' B 68 DC H5 1.0 2.00 4.57 252 170 C 91 DG H1' C 92 DC H5 1.0 2.00 4.69 253 171 B 68 DC H5 B 68 DC H1' 1.0 2.30 6.21 254 172 C 86 DT H1' C 87 DT H6 1.0 2.00 4.82 255 173 C 86 DT H1' C 86 DT H6 1.0 2.00 4.58 256 174 B 68 DC H1' B 69 DT H6 1.0 2.00 4.19 257 175 B 78 DC H1' B 78 DC H6 1.0 2.00 4.14 258 176 B 75 DC H1' B 76 DC H6 1.0 2.00 4.36 259 177 C 89 DG H8 C 88 DA H1' 1.0 2.30 5.22 260 178 B 72 DA H1' B 72 DA H8 1.0 2.40 5.44 261 179 C 89 DG H1' C 90 DA H8 1.0 2.86 6.36 262 180 C 85 DA H8 C 84 DG H1' 1.0 2.00 4.24 263 181 C 90 DA H1' C 90 DA H8 1.0 2.00 4.49 264 182 C 89 DG H8 C 89 DG H1' 1.0 2.43 5.49 265 183 C 85 DA H8 C 85 DA H1' 1.0 2.00 4.37 266 184 C 83 DG H8 C 82 DG H1' 1.0 2.00 4.20 267 185 C 86 DT H71 C 85 DA H1' 1.0 2.00 7.71 268 186 C 85 DA H1' C 87 DT H71 1.0 2.52 7.71 269 187 C 86 DT H1' C 87 DT H71 1.0 2.00 7.71 270 188 C 87 DT H71 C 87 DT H1' 1.0 2.45 7.71 271 189 B 73 DA H1' B 74 DT H71 1.0 2.00 7.71 272 190 C 86 DT H1' C 86 DT H71 1.0 2.29 7.71 273 191 C 86 DT H71 C 84 DG H1' 1.0 2.48 7.71 274 192 C 90 DA H2 C 91 DG H1 1.0 3.02 6.69 275 193 B 75 DC H1' C 85 DA H2 1.0 2.00 4.67 276 194 B 72 DA H2 C 88 DA H2 1.0 2.57 5.77 277 195 B 71 DT H3 C 88 DA H2 1.0 2.30 5.22 278 196 C 88 DA H2 C 87 DT H3 1.0 2.83 6.31 279 197 B 72 DA H2 B 71 DT H3 1.0 2.77 6.18 280 198 B 73 DA H2 C 87 DT H3 1.0 2.00 4.46 281 199 C 90 DA H2 B 69 DT H3 1.0 2.00 4.77 282 200 B 75 DC H5 C 85 DA H2 1.0 2.33 5.57 283 201 C 85 DA H2 C 86 DT H6 1.0 2.36 5.74 284 202 B 74 DT H71 C 85 DA H2 1.0 2.43 7.71 285 203 B 79 DG H1' B 78 DC H2' 1.0 2.73 6.11 286 204 B 73 DA H1' B 73 DA H2' 1.0 2.00 4.80 287 205 C 86 DT H1' C 86 DT H2' 1.0 2.00 4.68 288 206 B 78 DC H1' B 78 DC H2' 1.0 2.00 4.01 289 207 B 76 DC H2' B 76 DC H2'' 1.0 1.65 3.76 290 208 C 83 DG H2' C 83 DG H2'' 1.0 1.65 4.19 291 209 C 84 DG H2'' C 84 DG H2' 1.0 1.65 4.32 292 210 B 75 DC H5 B 75 DC H2' 1.0 2.00 4.78 293 211 B 77 DC H5 B 76 DC H2' 1.0 2.00 4.71 294 212 C 92 DC H5 C 91 DG H2' 1.0 2.29 5.20 295 213 B 75 DC H5 B 74 DT H2' 1.0 2.00 4.89 296 214 B 78 DC H2' B 78 DC H5 1.0 2.00 4.66 297 215 B 70 DC H5 B 70 DC H2' 1.0 2.34 5.31 298 216 B 78 DC H6 B 77 DC H2' 1.0 2.00 4.24 299 217 B 78 DC H2' B 78 DC H6 1.0 2.00 3.94 300 218 C 87 DT H2' C 87 DT H6 1.0 2.00 4.81 301 219 C 86 DT H2' C 86 DT H6 1.0 2.00 4.82 302 220 C 86 DT H2' C 87 DT H6 1.0 2.34 5.30 303 221 C 88 DA H2' C 88 DA H8 1.0 2.00 4.30 304 222 C 81 DG H8 C 80 DC H2' 1.0 2.00 4.22 305 223 C 87 DT H2' C 88 DA H8 1.0 2.00 5.00 306 224 B 72 DA H8 B 71 DT H2' 1.0 2.67 5.98 307 225 B 78 DC H2' B 79 DG H8 1.0 2.00 4.57 308 226 C 85 DA H8 C 84 DG H2' 1.0 2.00 4.47 309 227 C 83 DG H8 C 82 DG H2' 1.0 2.00 4.16 310 228 C 83 DG H8 C 83 DG H2' 1.0 2.00 4.39 311 229 C 85 DA H8 C 85 DA H2' 1.0 2.00 4.37 312 230 B 73 DA H8 B 73 DA H2' 1.0 2.00 5.05 313 231 B 74 DT H71 B 73 DA H2' 1.0 2.00 7.71 314 232 C 86 DT H2' C 87 DT H71 1.0 2.00 7.71 315 233 B 74 DT H71 B 74 DT H2' 1.0 2.38 7.71 316 234 B 68 DC H2' B 69 DT H71 1.0 2.00 7.71 317 235 B 75 DC H1' B 75 DC H2'' 1.0 2.00 3.80 318 236 C 86 DT H1' C 85 DA H2'' 1.0 2.73 6.11 319 237 C 84 DG H1' C 84 DG H2'' 1.0 2.00 4.24 320 238 B 73 DA H1' B 73 DA H2'' 1.0 2.00 4.58 321 239 C 90 DA H1' C 90 DA H2'' 1.0 2.00 3.97 322 240 B 76 DC H2' B 76 DC H2'' 1.0 1.65 4.04 323 241 C 88 DA H2'' C 88 DA H3' 1.0 2.00 4.01 324 242 B 68 DC H5 B 68 DC H2'' 1.0 2.32 5.56 325 243 B 68 DC H5 B 67 DG H2'' 1.0 2.00 4.48 326 244 B 78 DC H5 B 77 DC H2'' 1.0 2.00 4.31 327 245 B 75 DC H5 B 74 DT H2'' 1.0 2.00 4.82 328 246 B 78 DC H6 B 77 DC H2'' 1.0 2.00 4.30 329 247 C 86 DT H6 C 85 DA H2'' 1.0 2.00 4.56 330 248 B 76 DC H6 B 76 DC H2'' 1.0 2.00 4.12 331 249 B 71 DT H6 B 70 DC H2'' 1.0 2.00 4.85 332 250 B 67 DG H2'' B 68 DC H6 1.0 2.00 4.32 333 251 B 75 DC H2'' B 76 DC H6 1.0 2.00 4.27 334 252 C 84 DG H8 C 83 DG H2'' 1.0 2.00 4.42 335 253 C 90 DA H2'' C 91 DG H8 1.0 2.00 4.65 336 254 C 88 DA H2'' C 88 DA H8 1.0 2.00 4.33 337 255 C 81 DG H8 C 80 DC H2'' 1.0 2.00 4.09 338 256 C 83 DG H8 C 82 DG H2'' 1.0 2.00 4.33 339 257 B 73 DA H8 B 72 DA H2'' 1.0 2.11 5.86 340 258 C 89 DG H8 C 88 DA H2'' 1.0 2.00 4.76 341 259 B 73 DA H2'' B 73 DA H8 1.0 2.00 4.99 342 260 B 74 DT H71 B 74 DT H2'' 1.0 2.48 7.71 343 261 C 86 DT H71 C 85 DA H2'' 1.0 2.00 7.71 344 262 B 73 DA H2'' B 74 DT H71 1.0 2.00 7.71 345 263 C 84 DG H1 B 74 DT H3 1.0 2.48 5.59 346 264 B 71 DT H3 C 89 DG H1 1.0 2.99 6.65 347 265 C 86 DT H3 B 73 DA H2 1.0 2.00 3.83 348 266 C 90 DA H2 B 69 DT H3 1.0 2.00 5.12 349 267 B 71 DT H3 C 88 DA H2 1.0 2.00 4.77 350 268 B 71 DT H3 C 87 DT H3 1.0 2.69 6.01 351 269 C 86 DT H3 C 87 DT H3 1.0 2.00 5.14 352 270 B 71 DT H3 B 70 DC H5 1.0 2.57 5.78 353 271 B 74 DT H3 B 74 DT H71 1.0 2.75 7.71 354 272 C 87 DT H71 C 87 DT H3 1.0 2.72 7.71 355 273 B 72 DA H3' B 72 DA H1' 1.0 2.49 5.61 356 274 C 87 DT H6 C 87 DT H3' 1.0 2.55 5.73 357 275 C 87 DT H6 C 86 DT H3' 1.0 2.97 6.59 358 276 B 72 DA H3' B 72 DA H8 1.0 2.47 5.57 359 277 C 82 DG H8 C 81 DG H3' 1.0 2.00 5.73 360 278 B 72 DA H3' B 73 DA H8 1.0 2.65 5.95 361 279 B 73 DA H3' B 73 DA H8 1.0 2.33 5.28 362 280 C 81 DG H8 C 80 DC H3' 1.0 2.00 4.93 363 281 C 88 DA H8 C 88 DA H3' 1.0 2.00 4.34 364 282 C 91 DG H4' C 92 DC H6 1.0 2.51 5.65 365 283 C 91 DG H1 B 68 DC H4x 1.0 2.38 5.39 366 284 C 89 DG H1 B 70 DC H4x 1.0 2.60 5.83 367 285 B 75 DC H4y B 75 DC H4x 1.0 1.62 4.75 368 286 B 68 DC H4x B 68 DC H4y 1.0 1.62 4.53 369 287 B 77 DC H4x B 77 DC H4y 1.0 1.62 4.70 370 288 B 78 DC H4x B 78 DC H4y 1.0 1.62 4.77 371 289 B 70 DC H4x B 70 DC H4y 1.0 1.62 5.18 372 290 B 77 DC H5 B 77 DC H4x 1.0 2.00 4.30 373 291 B 70 DC H4x B 70 DC H5 1.0 2.00 4.36 374 292 B 70 DC H4x B 71 DT H71 1.0 2.60 7.71 375 293 C 83 DG H1 B 76 DC H4y 1.0 2.00 4.87 376 294 C 91 DG H1 B 68 DC H4y 1.0 2.58 5.80 377 295 C 84 DG H1 B 76 DC H4y 1.0 2.77 6.18 378 296 C 84 DG H1 B 75 DC H4y 1.0 2.00 4.85 379 297 C 83 DG H1 B 75 DC H4y 1.0 2.67 5.98 380 298 B 75 DC H4y B 75 DC H4x 1.0 1.62 4.75 381 299 B 68 DC H4x B 68 DC H4y 1.0 1.62 4.51 382 300 B 77 DC H4x B 77 DC H4y 1.0 1.62 4.58 383 301 B 78 DC H4x B 78 DC H4y 1.0 1.62 4.77 384 302 B 70 DC H5 B 70 DC H4y 1.0 2.00 4.67 385 303 B 75 DC H5 B 75 DC H4y 1.0 2.00 4.51 386 304 B 68 DC H5 B 68 DC H4y 1.0 2.00 4.49 387 305 B 78 DC H6 B 78 DC H4y 1.0 2.56 5.76 388 306 B 76 DC H4y B 76 DC H6 1.0 2.33 5.70 389 307 B 69 DT H71 B 68 DC H4y 1.0 2.72 7.71 390 308 B 69 DT H71 B 70 DC H4y 1.0 2.50 7.71 391 309 C 89 DG H1 B 70 DC H5 1.0 2.39 5.41 392 310 B 75 DC H5 C 83 DG H1 1.0 2.50 5.82 393 311 C 84 DG H1 B 76 DC H5 1.0 2.58 5.79 394 312 C 83 DG H1 B 77 DC H5 1.0 2.65 5.94 395 313 B 75 DC H5 C 84 DG H1 1.0 2.00 4.92 396 314 B 67 DG H1' B 68 DC H5 1.0 2.00 4.55 397 315 C 91 DG H1' C 92 DC H5 1.0 2.29 5.21 398 316 B 75 DC H5 C 85 DA H2 1.0 2.45 5.53 399 317 B 75 DC H5 B 74 DT H2' 1.0 2.30 5.23 400 318 B 75 DC H5 B 75 DC H2' 1.0 2.00 4.79 401 319 B 77 DC H5 B 76 DC H2' 1.0 2.00 4.84 402 320 B 70 DC H5 B 70 DC H2' 1.0 2.31 5.24 403 321 B 78 DC H2' B 78 DC H5 1.0 2.00 4.74 404 322 B 75 DC H5 B 74 DT H2'' 1.0 2.00 4.68 405 323 B 68 DC H5 B 67 DG H2'' 1.0 2.00 4.53 406 324 B 76 DC H5 B 75 DC H2'' 1.0 2.00 4.75 407 325 B 68 DC H5 B 68 DC H2'' 1.0 2.35 5.33 408 326 B 75 DC H5 B 74 DT H3 1.0 2.61 5.85 409 327 B 71 DT H3 B 70 DC H5 1.0 2.49 5.62 410 328 B 70 DC H4x B 70 DC H5 1.0 2.00 4.47 411 329 B 77 DC H5 B 77 DC H4x 1.0 2.00 4.27 412 330 B 77 DC H5 B 78 DC H4x 1.0 2.51 5.66 413 331 B 68 DC H5 B 68 DC H4y 1.0 2.00 4.43 414 332 B 77 DC H5 B 78 DC H4y 1.0 2.82 6.29 415 333 B 77 DC H5 B 77 DC H4y 1.0 2.00 4.47 416 334 B 75 DC H5 B 75 DC H4y 1.0 2.00 4.64 417 335 B 75 DC H5 B 76 DC H5 1.0 2.00 4.54 418 336 B 75 DC H5 B 76 DC H5 1.0 2.00 4.65 419 337 B 70 DC H5 B 69 DT H6 1.0 2.00 4.87 420 338 B 68 DC H5 B 68 DC H6 1.0 2.00 3.83 421 339 B 68 DC H5 B 67 DG H8 1.0 2.00 4.58 422 340 B 78 DC H5 B 79 DG H8 1.0 2.79 6.23 423 341 B 70 DC H5 B 69 DT H71 1.0 2.00 7.71 424 342 B 70 DC H5 C 87 DT H71 1.0 2.68 7.71 425 343 B 75 DC H5 B 74 DT H71 1.0 2.00 7.71 426 344 B 68 DC H5 B 69 DT H71 1.0 2.00 7.71 427 345 B 70 DC H5 B 71 DT H71 1.0 2.00 7.71 428 346 C 81 DG H8 C 80 DC H5' 1.0 2.37 5.35 429 347 C 86 DT H1' C 86 DT H6 1.0 2.00 4.45 430 348 C 87 DT H6 C 87 DT H1' 1.0 2.00 4.50 431 349 B 68 DC H1' B 69 DT H6 1.0 2.00 4.08 432 350 B 78 DC H1' B 78 DC H6 1.0 2.00 4.21 433 351 C 86 DT H1' C 87 DT H6 1.0 2.00 4.75 434 352 C 85 DA H2 C 86 DT H6 1.0 2.43 5.70 435 353 C 87 DT H2' C 87 DT H6 1.0 2.00 4.76 436 354 B 78 DC H6 B 77 DC H2' 1.0 2.00 4.36 437 355 C 86 DT H2' C 86 DT H6 1.0 2.00 4.63 438 356 B 78 DC H2' B 78 DC H6 1.0 2.00 3.94 439 357 C 86 DT H6 C 85 DA H2'' 1.0 2.00 4.60 440 358 B 68 DC H4x B 68 DC H6 1.0 2.00 6.04 441 359 B 78 DC H6 B 78 DC H4y 1.0 2.44 5.70 442 360 B 68 DC H5 B 68 DC H6 1.0 2.00 3.83 443 361 B 75 DC H5 B 75 DC H6 1.0 2.00 3.83 444 362 B 70 DC H5 B 69 DT H6 1.0 2.00 4.77 445 363 C 87 DT H6 C 86 DT H6 1.0 2.00 5.06 446 364 C 91 DG H8 C 92 DC H6 1.0 2.00 4.80 447 365 C 87 DT H6 C 88 DA H8 1.0 2.00 4.78 448 366 C 85 DA H8 C 86 DT H6 1.0 2.00 4.49 449 367 B 68 DC H6 B 67 DG H8 1.0 2.00 4.57 450 368 B 78 DC H6 B 79 DG H8 1.0 2.00 4.80 451 369 C 81 DG H8 C 80 DC H6 1.0 2.00 4.66 452 370 C 87 DT H6 C 87 DT H71 1.0 2.00 7.71 453 371 C 86 DT H71 C 87 DT H6 1.0 2.38 7.71 454 372 C 86 DT H6 C 87 DT H71 1.0 2.00 7.71 455 373 B 69 DT H6 B 69 DT H71 1.0 2.00 7.71 456 374 B 71 DT H71 B 70 DC H6 1.0 2.00 7.71 457 375 B 71 DT H6 B 71 DT H71 1.0 2.00 7.71 458 376 C 85 DA H8 C 84 DG H1' 1.0 2.00 4.19 459 377 B 78 DC H1' B 79 DG H8 1.0 2.00 4.40 460 378 C 90 DA H1' C 90 DA H8 1.0 2.00 4.36 461 379 B 72 DA H1' B 72 DA H8 1.0 2.41 5.45 462 380 C 85 DA H8 C 85 DA H1' 1.0 2.00 4.25 463 381 C 81 DG H8 C 80 DC H2' 1.0 2.00 4.29 464 382 C 85 DA H8 C 84 DG H2' 1.0 2.00 4.36 465 383 B 72 DA H8 B 71 DT H2' 1.0 2.59 5.81 466 384 C 81 DG H8 C 81 DG H2' 1.0 2.00 3.78 467 385 C 83 DG H8 C 83 DG H2' 1.0 2.00 4.32 468 386 C 88 DA H2' C 88 DA H8 1.0 2.00 4.21 469 387 C 85 DA H8 C 85 DA H2' 1.0 2.00 4.24 470 388 B 78 DC H2' B 79 DG H8 1.0 2.00 4.40 471 389 C 87 DT H2' C 88 DA H8 1.0 2.00 5.01 472 390 C 89 DG H8 C 88 DA H2'' 1.0 2.00 4.74 473 391 B 72 DA H8 B 72 DA H2'' 1.0 2.66 5.96 474 392 C 89 DG H8 C 89 DG H2'' 1.0 2.00 4.59 475 393 C 84 DG H8 C 83 DG H2'' 1.0 2.00 4.34 476 394 C 88 DA H2'' C 88 DA H8 1.0 2.00 4.27 477 395 C 81 DG H8 C 81 DG H2'' 1.0 2.00 3.89 478 396 C 85 DA H8 C 84 DG H2'' 1.0 2.00 4.37 479 397 C 81 DG H8 C 80 DC H2'' 1.0 2.00 3.97 480 398 C 83 DG H8 C 82 DG H2'' 1.0 2.00 4.27 481 399 B 72 DA H3' B 73 DA H8 1.0 2.37 5.37 482 400 C 88 DA H8 C 88 DA H3' 1.0 2.00 4.44 483 401 C 81 DG H8 C 80 DC H3' 1.0 2.00 4.49 484 402 C 89 DG H8 C 89 DG H3' 1.0 2.00 4.64 485 403 B 72 DA H3' B 72 DA H8 1.0 2.67 5.97 486 404 B 68 DC H4x B 67 DG H8 1.0 2.39 5.40 487 405 C 92 DC H5 C 91 DG H8 1.0 2.00 4.62 488 406 C 81 DG H8 C 80 DC H5 1.0 2.31 5.24 489 407 B 68 DC H5 B 67 DG H8 1.0 2.00 4.39 490 408 B 78 DC H5 B 79 DG H8 1.0 2.36 5.34 491 409 B 68 DC H6 B 67 DG H8 1.0 2.00 4.51 492 410 C 87 DT H6 C 88 DA H8 1.0 2.00 4.85 493 411 C 85 DA H8 C 86 DT H6 1.0 2.00 4.47 494 412 B 78 DC H6 B 79 DG H8 1.0 2.00 4.67 495 413 C 81 DG H8 C 80 DC H6 1.0 2.00 4.48 496 414 C 83 DG H8 C 82 DG H8 1.0 2.00 4.88 497 415 C 83 DG H8 C 82 DG H8 1.0 2.00 4.68 498 416 C 89 DG H8 C 88 DA H8 1.0 2.00 4.85 499 417 B 69 DT H71 B 67 DG H8 1.0 2.62 7.71 500 418 C 85 DA H8 C 87 DT H71 1.0 2.53 7.71 501 419 C 87 DT H71 C 88 DA H8 1.0 2.37 7.71 502 420 C 85 DA H8 C 86 DT H71 1.0 2.00 7.71 503 421 B 73 DA H8 B 74 DT H71 1.0 2.00 7.71 504 422 C 89 DG H1 B 69 DT H71 1.0 2.52 7.71 505 423 C 84 DG H1 B 74 DT H71 1.0 2.55 7.71 506 424 B 68 DC H1' B 69 DT H71 1.0 2.00 7.71 507 425 C 86 DT H1' C 86 DT H71 1.0 2.00 7.71 508 426 B 72 DA H1' B 74 DT H71 1.0 2.37 7.71 509 427 B 73 DA H1' B 74 DT H71 1.0 2.00 7.71 510 428 B 74 DT H1' B 74 DT H71 1.0 2.00 7.71 511 429 C 86 DT H71 C 85 DA H1' 1.0 2.00 7.71 512 430 C 85 DA H1' C 87 DT H71 1.0 2.43 7.71 513 431 C 86 DT H1' C 87 DT H71 1.0 2.00 7.71 514 432 C 86 DT H71 C 84 DG H1' 1.0 2.42 7.71 515 433 B 73 DA H2 C 87 DT H71 1.0 2.40 7.71 516 434 C 86 DT H71 B 73 DA H2 1.0 2.64 7.71 517 435 B 74 DT H71 B 73 DA H2 1.0 2.61 7.71 518 436 B 74 DT H71 B 73 DA H2' 1.0 2.00 7.71 519 437 B 73 DA H2'' B 74 DT H71 1.0 2.00 7.71 520 438 B 74 DT H71 B 74 DT H2'' 1.0 2.00 7.71 521 439 C 87 DT H3 B 71 DT H71 1.0 2.71 7.71 522 440 C 87 DT H71 C 87 DT H3 1.0 2.32 7.71 523 441 C 86 DT H3 C 87 DT H71 1.0 2.52 7.71 524 442 C 86 DT H3 C 86 DT H71 1.0 2.29 7.71 525 443 B 71 DT H3 C 87 DT H71 1.0 2.00 7.71 526 444 B 74 DT H3 B 74 DT H71 1.0 2.42 7.71 527 445 B 73 DA H3' B 74 DT H71 1.0 2.00 7.71 528 446 B 75 DC H4x B 74 DT H71 1.0 2.36 7.71 529 447 B 69 DT H71 B 70 DC H4y 1.0 2.34 7.71 530 448 B 70 DC H5 B 69 DT H71 1.0 2.00 7.71 531 449 B 68 DC H5 B 69 DT H71 1.0 2.00 7.71 532 450 B 70 DC H5 B 71 DT H71 1.0 2.00 7.71 533 451 B 75 DC H5 B 74 DT H71 1.0 2.00 7.71 534 452 B 71 DT H71 B 70 DC H6 1.0 2.00 7.71 535 453 B 75 DC H6 B 74 DT H71 1.0 2.00 7.71 536 454 C 86 DT H6 C 87 DT H71 1.0 2.00 7.71 537 455 C 86 DT H71 C 87 DT H6 1.0 2.37 7.71 538 456 B 71 DT H6 B 71 DT H71 1.0 2.00 7.71 539 457 B 69 DT H6 B 69 DT H71 1.0 2.00 7.71 540 458 C 87 DT H6 C 87 DT H71 1.0 2.00 7.71 541 459 C 85 DA H8 C 86 DT H71 1.0 2.00 7.71 542 460 B 73 DA H8 B 74 DT H71 1.0 2.00 7.71 543 461 B 69 DT H71 B 67 DG H8 1.0 2.73 7.71 544 462 C 87 DT H71 C 88 DA H8 1.0 2.00 7.71 545 463 C 86 DT H71 C 87 DT H71 1.0 2.00 9.15 546 464 C 86 DT H71 C 87 DT H71 1.0 2.00 9.15 547 465 A 30 THR HG2% A 33 GLU HBy 1.0 1.80 5.72 548 466 A 59 ARG HBx A 59 ARG HDy 1.0 1.80 5.03 549 466 A 59 ARG HBx A 59 ARG HDx 1.0 1.80 5.03 550 467 A 3 ARG HA A 4 GLN HGy 1.0 1.80 4.61 551 467 A 3 ARG HA A 4 GLN HGx 1.0 1.80 4.61 552 468 A 25 TYR HDy A 25 TYR HA 1.0 1.80 5.09 553 468 A 25 TYR HDx A 25 TYR HA 1.0 1.80 5.09 554 469 A 4 GLN HGy A 4 GLN HA 1.0 1.80 4.77 555 469 A 4 GLN HGx A 4 GLN HA 1.0 1.80 4.77 556 470 A 35 ALA HA A 45 VAL HGy% 1.0 1.80 5.11 557 471 A 58 LYS HA A 58 LYS HDy 1.0 1.80 4.96 558 471 A 58 LYS HA A 58 LYS HDx 1.0 1.80 4.96 559 472 A 15 GLU HBx A 38 THR HG2% 1.0 1.80 5.23 560 473 A 34 ILE HA A 34 ILE HG1y 1.0 1.80 4.48 561 474 A 34 ILE HA A 34 ILE HG1x 1.0 1.80 4.48 562 475 A 6 THR HG2% A 6 THR HA 1.0 1.80 4.85 563 476 A 64 VAL HGy% A 66 ASP H 1.0 1.80 6.90 564 477 A 30 THR HG2% A 31 ARG HA 1.0 1.80 5.36 565 478 A 15 GLU H A 16 LEU HA 1.0 1.80 5.80 566 479 A 58 LYS HA A 60 GLU H 1.0 1.80 5.07 567 480 A 58 LYS HA A 58 LYS HBy 1.0 1.80 3.89 568 480 A 58 LYS HA A 58 LYS HBx 1.0 1.80 3.89 569 481 A 8 PHE HBy A 13 LEU HDx% 1.0 1.80 6.59 570 482 A 13 LEU HDy% A 8 PHE HBy 1.0 1.80 6.59 571 483 A 63 ILE HA A 63 ILE HD1% 1.0 1.80 5.41 572 484 A 19 THR H A 19 THR HG2% 1.0 1.80 5.51 573 485 A 19 THR HG2% A 49 PHE HZ 1.0 1.80 5.21 574 486 A 19 THR HG2% A 49 PHE HEx 1.0 1.80 5.73 575 486 A 19 THR HG2% A 49 PHE HEy 1.0 1.80 5.73 576 487 A 19 THR HG2% A 23 ASN HBy 1.0 1.80 6.23 577 487 A 19 THR HG2% A 23 ASN HBx 1.0 1.80 6.23 578 488 A 30 THR HG2% A 19 THR HG2% 1.0 1.80 5.84 579 489 A 30 THR HG2% A 26 PRO HA 1.0 1.80 5.15 580 490 A 55 LYS HA A 58 LYS H 1.0 1.80 4.27 581 491 A 58 LYS HBy A 55 LYS HA 1.0 1.80 4.04 582 491 A 58 LYS HBx A 55 LYS HA 1.0 1.80 4.04 583 492 A 33 GLU HA A 36 VAL HGy% 1.0 1.80 4.81 584 493 A 33 GLU HA A 36 VAL HGx% 1.0 1.80 5.53 585 494 A 34 ILE HG1x A 34 ILE H 1.0 1.80 4.67 586 495 A 15 GLU H A 15 GLU HGx 1.0 1.80 4.59 587 496 A 61 GLU HA A 62 PHE H 1.0 1.80 3.99 588 497 A 60 GLU HA A 60 GLU HGy 1.0 1.80 4.44 589 497 A 60 GLU HA A 60 GLU HGx 1.0 1.80 4.44 590 498 A 61 GLU HA A 61 GLU HGx 1.0 1.80 4.27 591 499 A 13 LEU HDx% A 13 LEU HBy 1.0 1.80 5.11 592 500 A 13 LEU HDx% A 10 SER HBx 1.0 1.80 7.91 593 500 A 13 LEU HDx% A 10 SER HBy 1.0 1.80 7.91 594 501 A 58 LYS HEy A 58 LYS HGy 1.0 1.80 4.94 595 501 A 58 LYS HEx A 58 LYS HGy 1.0 1.80 4.94 596 502 A 45 VAL HGy% A 45 VAL H 1.0 1.80 4.45 597 503 A 45 VAL HGy% A 45 VAL HA 1.0 1.80 4.27 598 504 A 45 VAL HGy% A 42 GLU HA 1.0 1.80 5.39 599 505 A 13 LEU HDy% A 13 LEU HBy 1.0 1.80 5.11 600 506 A 13 LEU HDy% A 13 LEU HBx 1.0 1.80 4.97 601 507 A 16 LEU HA A 16 LEU HDx% 1.0 1.80 5.47 602 508 A 35 ALA HA A 38 THR HG1 1.0 1.80 4.58 603 509 A 38 THR HG1 A 34 ILE HG2% 1.0 1.80 5.75 604 510 A 19 THR HG2% A 34 ILE HG2% 1.0 1.80 6.46 605 511 A 16 LEU HDx% A 34 ILE HG2% 1.0 1.80 7.24 606 512 A 49 PHE HEx A 34 ILE HG2% 1.0 1.80 6.22 607 512 A 49 PHE HEy A 34 ILE HG2% 1.0 1.80 6.22 608 513 A 30 THR HG2% A 30 THR HA 1.0 1.80 4.79 609 514 A 42 GLU HA A 42 GLU HGy 1.0 1.80 4.70 610 515 A 42 GLU HA A 35 ALA HB% 1.0 1.80 5.22 611 516 A 42 GLU HA A 45 VAL HGx% 1.0 1.80 5.86 612 517 A 63 ILE H A 63 ILE HB 1.0 1.80 4.25 613 518 A 45 VAL HGx% A 34 ILE HB 1.0 1.80 5.50 614 519 A 63 ILE HD1% A 63 ILE HB 1.0 1.80 5.10 615 520 A 30 THR HG2% A 26 PRO HBx 1.0 1.80 4.94 616 521 A 30 THR HG2% A 26 PRO HBy 1.0 1.80 4.66 617 522 A 36 VAL HGy% A 36 VAL HA 1.0 1.80 4.37 618 523 A 36 VAL HGx% A 36 VAL HA 1.0 1.80 4.57 619 524 A 38 THR HG2% A 38 THR HG1 1.0 1.80 5.15 620 525 A 41 THR H A 41 THR HG2% 1.0 1.80 5.75 621 526 A 38 THR HG2% A 37 TRP HD1 1.0 1.80 5.64 622 527 A 39 ASN HBy A 39 ASN HD2y 1.0 1.80 4.60 623 528 A 55 LYS HEy A 55 LYS HGy 1.0 1.80 4.97 624 528 A 55 LYS HEx A 55 LYS HGy 1.0 1.80 4.97 625 529 A 55 LYS HEy A 55 LYS HGx 1.0 1.80 4.97 626 529 A 55 LYS HEx A 55 LYS HGx 1.0 1.80 4.97 627 530 A 34 ILE HB A 34 ILE HD1% 1.0 1.80 4.58 628 531 A 19 THR HG2% A 34 ILE HD1% 1.0 1.80 5.53 629 532 A 34 ILE HD1% A 35 ALA H 1.0 1.80 6.30 630 533 A 35 ALA HB% A 32 GLU HA 1.0 1.80 4.94 631 534 A 31 ARG HA A 34 ILE HG2% 1.0 1.80 5.62 632 535 A 18 ALA HA A 21 GLN HBx 1.0 1.80 5.01 633 536 A 28 MET HA A 28 MET HGy 1.0 1.80 4.83 634 536 A 28 MET HA A 28 MET HGx 1.0 1.80 4.83 635 537 A 57 ARG HA A 60 GLU HBy 1.0 1.80 5.32 636 537 A 57 ARG HA A 60 GLU HBx 1.0 1.80 5.32 637 538 A 47 VAL HGy% A 47 VAL HA 1.0 1.80 5.16 638 539 A 35 ALA HB% A 41 THR HA 1.0 1.80 5.63 639 540 A 30 THR HG2% A 34 ILE HD1% 1.0 1.80 4.94 640 541 A 31 ARG HA A 34 ILE HD1% 1.0 1.80 5.20 641 542 A 34 ILE HA A 34 ILE HD1% 1.0 1.80 5.66 642 543 A 63 ILE HA A 63 ILE HG2% 1.0 1.80 4.91 643 544 A 58 LYS HDx A 58 LYS HBy 1.0 1.80 4.56 644 544 A 58 LYS HDy A 58 LYS HBy 1.0 1.80 4.56 645 544 A 58 LYS HDy A 58 LYS HBx 1.0 1.80 4.56 646 544 A 58 LYS HDx A 58 LYS HBx 1.0 1.80 4.56 647 545 A 58 LYS HDy A 58 LYS H 1.0 1.80 5.29 648 545 A 58 LYS HDx A 58 LYS H 1.0 1.80 5.29 649 546 A 34 ILE HA A 37 TRP HBx 1.0 1.80 4.71 650 547 A 33 GLU H A 33 GLU HGy 1.0 1.80 4.49 651 548 A 33 GLU HA A 33 GLU HGx 1.0 1.80 4.36 652 549 A 33 GLU HA A 33 GLU HGy 1.0 1.80 4.36 653 550 A 33 GLU HA A 32 GLU HGx 1.0 1.80 5.22 654 551 A 60 GLU HGy A 63 ILE H 1.0 1.80 5.19 655 551 A 60 GLU HGx A 63 ILE H 1.0 1.80 5.19 656 552 A 60 GLU HA A 63 ILE H 1.0 1.80 4.92 657 553 A 62 PHE HA A 62 PHE HDy 1.0 1.80 4.98 658 553 A 62 PHE HA A 62 PHE HDx 1.0 1.80 4.98 659 554 A 20 PHE HA A 20 PHE HDy 1.0 1.80 5.16 660 554 A 20 PHE HA A 20 PHE HDx 1.0 1.80 5.16 661 555 A 45 VAL HA A 45 VAL HGx% 1.0 1.80 5.29 662 556 A 63 ILE HD1% A 60 GLU HBy 1.0 1.80 6.15 663 556 A 63 ILE HD1% A 60 GLU HBx 1.0 1.80 6.15 664 557 A 63 ILE HD1% A 60 GLU HGx 1.0 1.80 6.74 665 557 A 63 ILE HD1% A 60 GLU HGy 1.0 1.80 6.74 666 558 A 43 ALA HB% A 44 ARG HGy 1.0 1.80 5.30 667 559 A 64 VAL HGy% A 65 THR H 1.0 1.80 5.82 668 560 A 30 THR HG2% A 34 ILE H 1.0 1.80 5.50 669 561 A 45 VAL HGy% A 35 ALA HB% 1.0 1.80 5.17 670 562 A 34 ILE HG2% A 37 TRP HD1 1.0 1.80 5.29 671 563 A 64 VAL HA A 64 VAL HGx% 1.0 1.80 5.03 672 564 A 30 THR HG2% A 34 ILE HB 1.0 1.80 5.65 673 565 A 47 VAL HGy% A 48 TRP H 1.0 1.80 5.40 674 566 A 47 VAL HGy% A 47 VAL H 1.0 1.80 6.00 675 567 A 38 THR HG2% A 16 LEU H 1.0 1.80 5.77 676 568 A 38 THR HG2% A 37 TRP HBy 1.0 1.80 5.77 677 569 A 38 THR HG2% A 15 GLU HBy 1.0 1.80 5.23 678 570 A 38 THR HG2% A 40 LEU HBy 1.0 1.80 5.39 679 571 A 45 VAL HGy% A 16 LEU HDx% 1.0 1.80 7.25 680 572 A 40 LEU HG A 44 ARG HBx 1.0 1.80 4.76 681 573 A 47 VAL HGx% A 47 VAL HA 1.0 1.80 5.16 682 574 A 58 LYS HEy A 58 LYS HGx 1.0 1.80 4.94 683 574 A 58 LYS HEx A 58 LYS HGx 1.0 1.80 4.94 684 575 A 55 LYS HA A 55 LYS HGy 1.0 1.80 4.49 685 576 A 58 LYS H A 58 LYS HGx 1.0 1.80 4.49 686 577 A 3 ARG H A 3 ARG HGy 1.0 1.80 5.12 687 577 A 3 ARG H A 3 ARG HGx 1.0 1.80 5.12 688 578 A 2 ARG HGy A 2 ARG HA 1.0 1.80 5.00 689 578 A 2 ARG HGx A 2 ARG HA 1.0 1.80 5.00 690 579 A 22 ARG HA A 22 ARG HGy 1.0 1.80 4.44 691 580 A 49 PHE HA A 52 ARG HBx 1.0 1.80 5.05 692 581 A 13 LEU HDy% A 10 SER HBy 1.0 1.80 7.91 693 581 A 13 LEU HDy% A 10 SER HBx 1.0 1.80 7.91 694 582 A 66 ASP H A 65 THR HB 1.0 1.80 4.50 695 583 A 30 THR HA A 33 GLU HBx 1.0 1.80 4.99 696 584 A 46 ARG HGx A 46 ARG HA 1.0 1.80 4.40 697 585 A 46 ARG HGy A 46 ARG HA 1.0 1.80 4.40 698 586 A 13 LEU HBx A 10 SER HA 1.0 1.80 4.99 699 587 A 60 GLU H A 58 LYS HBy 1.0 1.80 6.12 700 587 A 60 GLU H A 58 LYS HBx 1.0 1.80 6.12 701 588 A 42 GLU HA A 45 VAL HB 1.0 1.80 5.23 702 589 A 17 GLU HA A 48 TRP HH2 1.0 1.80 4.57 703 590 A 33 GLU HBy A 30 THR HA 1.0 1.80 3.99 704 591 A 15 GLU HA A 15 GLU HGy 1.0 1.80 4.31 705 592 A 15 GLU HGx A 15 GLU HA 1.0 1.80 4.31 706 593 A 35 ALA HA A 38 THR HG2% 1.0 1.80 5.30 707 594 A 59 ARG HDy A 59 ARG HBy 1.0 1.80 5.03 708 594 A 59 ARG HDx A 59 ARG HBy 1.0 1.80 5.03 709 595 A 54 ALA HB% A 51 ASN HA 1.0 1.80 5.00 710 596 A 22 ARG HA A 22 ARG HGx 1.0 1.80 4.44 711 597 A 65 THR H A 64 VAL HGx% 1.0 1.80 5.82 712 598 A 31 ARG HA A 34 ILE HB 1.0 1.80 4.35 713 599 A 34 ILE HG2% A 37 TRP HBx 1.0 1.80 6.14 714 600 A 28 MET HE% A 29 SER HBx 1.0 1.80 6.47 715 600 A 28 MET HE% A 29 SER HBy 1.0 1.80 6.47 716 601 A 2 ARG HDy A 2 ARG HA 1.0 1.80 5.57 717 601 A 2 ARG HDx A 2 ARG HA 1.0 1.80 5.57 718 602 A 31 ARG HA A 45 VAL HGx% 1.0 1.80 5.15 719 603 A 49 PHE HEx A 45 VAL HGx% 1.0 1.80 5.74 720 603 A 49 PHE HEy A 45 VAL HGx% 1.0 1.80 5.74 721 604 A 45 VAL HGx% A 49 PHE HDx 1.0 1.80 5.97 722 604 A 45 VAL HGx% A 49 PHE HDy 1.0 1.80 5.97 723 605 A 36 VAL HGy% A 35 ALA H 1.0 1.80 5.99 724 606 A 45 VAL HGy% A 44 ARG HBx 1.0 1.80 5.89 725 607 A 45 VAL HGy% A 40 LEU HBy 1.0 1.80 5.06 726 608 A 8 PHE HDy A 40 LEU HG 1.0 1.80 6.08 727 608 A 8 PHE HDx A 40 LEU HG 1.0 1.80 6.08 728 609 A 63 ILE HD1% A 62 PHE HEx 1.0 1.80 6.55 729 609 A 63 ILE HD1% A 62 PHE HEy 1.0 1.80 6.55 730 610 A 22 ARG HA A 22 ARG HDy 1.0 1.80 5.93 731 610 A 22 ARG HA A 22 ARG HDx 1.0 1.80 5.93 732 611 A 63 ILE HD1% A 63 ILE H 1.0 1.80 6.28 733 612 A 63 ILE HA A 62 PHE HDy 1.0 1.80 5.78 734 612 A 63 ILE HA A 62 PHE HDx 1.0 1.80 5.78 735 613 A 63 ILE HB A 64 VAL H 1.0 1.80 5.03 736 614 A 54 ALA HB% A 55 LYS HA 1.0 1.80 6.26 737 615 A 49 PHE HZ A 19 THR HA 1.0 1.80 5.67 738 616 A 13 LEU HDy% A 8 PHE HBx 1.0 1.80 6.59 739 617 A 13 LEU HDy% A 13 LEU HA 1.0 1.80 5.36 740 618 A 58 LYS HEy A 58 LYS H 1.0 1.80 5.93 741 618 A 58 LYS HEx A 58 LYS H 1.0 1.80 5.93 742 619 A 13 LEU HDx% A 8 PHE HBx 1.0 1.80 6.59 743 620 A 49 PHE HA A 48 TRP HE3 1.0 1.80 4.78 744 621 A 60 GLU HBy A 62 PHE HBx 1.0 1.80 6.86 745 621 A 60 GLU HBx A 62 PHE HBy 1.0 1.80 6.86 746 621 A 60 GLU HBx A 62 PHE HBx 1.0 1.80 6.86 747 621 A 60 GLU HBy A 62 PHE HBy 1.0 1.80 6.86 748 622 A 41 THR HG2% A 44 ARG HGy 1.0 1.80 6.00 749 623 A 18 ALA HA A 21 GLN HBy 1.0 1.80 5.01 750 624 A 34 ILE HG2% A 16 LEU HDy% 1.0 1.80 7.24 751 625 A 33 GLU H A 33 GLU HBx 1.0 1.80 4.07 752 626 A 16 LEU HA A 16 LEU HDy% 1.0 1.80 5.47 753 627 A 38 THR HG2% A 38 THR HA 1.0 1.80 4.51 754 628 A 59 ARG HA A 59 ARG HGy 1.0 1.80 4.27 755 628 A 59 ARG HA A 59 ARG HGx 1.0 1.80 4.27 756 629 A 11 GLN HA A 11 GLN HGy 1.0 1.80 4.29 757 629 A 11 GLN HA A 11 GLN HGx 1.0 1.80 4.29 758 630 A 45 VAL HGy% A 16 LEU HDy% 1.0 1.80 7.25 759 631 A 34 ILE HA A 34 ILE HG2% 1.0 1.80 4.76 760 632 A 33 GLU HA A 36 VAL HB 1.0 1.80 4.34 761 633 A 49 PHE HEy A 20 PHE HA 1.0 1.80 4.75 762 633 A 49 PHE HEx A 20 PHE HA 1.0 1.80 4.75 763 634 A 59 ARG HDy A 59 ARG HA 1.0 1.80 5.25 764 634 A 59 ARG HDx A 59 ARG HA 1.0 1.80 5.25 765 635 A 42 GLU HA A 42 GLU HGx 1.0 1.80 4.70 766 636 A 6 THR HG2% A 8 PHE HEy 1.0 1.80 5.89 767 636 A 6 THR HG2% A 8 PHE HEx 1.0 1.80 5.89 768 637 A 6 THR HG2% A 8 PHE HDy 1.0 1.80 6.09 769 637 A 6 THR HG2% A 8 PHE HDx 1.0 1.80 6.09 770 638 A 9 THR HA A 9 THR HG2% 1.0 1.80 4.72 771 639 A 36 VAL HGx% A 37 TRP HA 1.0 1.80 5.45 772 640 A 38 THR HG2% A 37 TRP HA 1.0 1.80 7.02 773 641 A 37 TRP HD1 A 37 TRP HA 1.0 1.80 5.38 774 642 A 37 TRP HA A 37 TRP HE3 1.0 1.80 4.82 775 643 A 60 GLU HGy A 56 TRP HA 1.0 1.80 5.16 776 643 A 60 GLU HGx A 56 TRP HA 1.0 1.80 5.16 777 644 A 64 VAL HGy% A 64 VAL HA 1.0 1.80 5.03 778 645 A 13 LEU HBy A 10 SER HA 1.0 1.80 4.57 779 646 A 13 LEU HBy A 10 SER HBy 1.0 1.80 5.75 780 646 A 13 LEU HBy A 10 SER HBx 1.0 1.80 5.75 781 647 A 38 THR HG2% A 12 GLN HA 1.0 1.80 4.86 782 648 A 13 LEU HDx% A 13 LEU HA 1.0 1.80 5.36 783 649 A 13 LEU HA A 16 LEU HG 1.0 1.80 5.36 784 650 A 13 LEU HDx% A 13 LEU HBx 1.0 1.80 4.97 785 651 A 4 GLN HGy A 4 GLN H 1.0 1.80 4.44 786 651 A 4 GLN HGx A 4 GLN H 1.0 1.80 4.44 787 652 A 14 GLN H A 14 GLN HGy 1.0 1.80 4.57 788 653 A 14 GLN H A 14 GLN HGx 1.0 1.80 4.57 789 654 A 38 THR HG2% A 15 GLU HA 1.0 1.80 6.14 790 655 A 15 GLU HA A 18 ALA HB% 1.0 1.80 4.52 791 656 A 15 GLU HA A 18 ALA H 1.0 1.80 4.53 792 657 A 60 GLU H A 60 GLU HBy 1.0 1.80 4.56 793 657 A 60 GLU H A 60 GLU HBx 1.0 1.80 4.56 794 658 A 60 GLU HGy A 60 GLU HBy 1.0 1.80 3.83 795 658 A 60 GLU HGx A 60 GLU HBy 1.0 1.80 3.83 796 658 A 60 GLU HGy A 60 GLU HBx 1.0 1.80 3.83 797 658 A 60 GLU HGx A 60 GLU HBx 1.0 1.80 3.83 798 659 A 60 GLU HBx A 63 ILE HG2% 1.0 1.80 7.63 799 659 A 60 GLU HBy A 63 ILE HG2% 1.0 1.80 7.63 800 660 A 16 LEU HA A 16 LEU HG 1.0 1.80 4.48 801 661 A 44 ARG HA A 44 ARG HGx 1.0 1.80 4.69 802 662 A 19 THR HG2% A 19 THR HA 1.0 1.80 4.78 803 663 A 22 ARG HDy A 19 THR HA 1.0 1.80 5.64 804 663 A 22 ARG HDx A 19 THR HA 1.0 1.80 5.64 805 664 A 34 ILE HD1% A 19 THR HB 1.0 1.80 6.01 806 665 A 34 ILE HG2% A 38 THR HA 1.0 1.80 7.11 807 666 A 35 ALA HB% A 44 ARG HBy 1.0 1.80 5.21 808 667 A 45 VAL H A 35 ALA HB% 1.0 1.80 5.58 809 668 A 34 ILE H A 35 ALA HB% 1.0 1.80 5.77 810 669 A 35 ALA HB% A 42 GLU H 1.0 1.80 6.13 811 670 A 63 ILE HG2% A 64 VAL HA 1.0 1.80 5.96 812 671 A 10 SER HBy A 11 GLN H 1.0 1.80 5.19 813 671 A 10 SER HBx A 11 GLN H 1.0 1.80 5.19 814 672 A 9 THR HA A 11 GLN H 1.0 1.80 4.58 815 673 A 56 TRP HA A 56 TRP HD1 1.0 1.80 5.49 816 674 A 58 LYS H A 56 TRP HA 1.0 1.80 5.89 817 675 A 11 GLN HA A 14 GLN H 1.0 1.80 4.86 818 676 A 58 LYS HDy A 55 LYS HA 1.0 1.80 5.73 819 676 A 58 LYS HDx A 55 LYS HA 1.0 1.80 5.73 820 677 A 55 LYS HA A 55 LYS HGx 1.0 1.80 4.49 821 678 A 11 GLN HGy A 12 GLN HA 1.0 1.80 4.97 822 678 A 11 GLN HGx A 12 GLN HA 1.0 1.80 4.97 823 679 A 13 LEU HBx A 14 GLN HA 1.0 1.80 5.23 824 680 A 18 ALA HB% A 14 GLN HA 1.0 1.80 6.44 825 681 A 16 LEU HA A 34 ILE HG2% 1.0 1.80 6.04 826 682 A 16 LEU HA A 18 ALA HB% 1.0 1.80 6.65 827 683 A 17 GLU HA A 20 PHE H 1.0 1.80 4.78 828 684 A 17 GLU HA A 48 TRP HZ2 1.0 1.80 4.67 829 685 A 19 THR HA A 23 ASN H 1.0 1.80 4.94 830 686 A 23 ASN HA A 24 ARG HA 1.0 1.80 5.17 831 687 A 30 THR HA A 33 GLU H 1.0 1.80 5.81 832 688 A 33 GLU HA A 32 GLU HGy 1.0 1.80 5.22 833 689 A 34 ILE HA A 33 GLU HA 1.0 1.80 5.60 834 690 A 34 ILE HA A 37 TRP HD1 1.0 1.80 4.91 835 691 A 35 ALA HA A 40 LEU HBy 1.0 1.80 4.54 836 692 A 36 VAL HA A 37 TRP HA 1.0 1.80 5.70 837 693 A 35 ALA HB% A 36 VAL HA 1.0 1.80 6.23 838 694 A 40 LEU HG A 40 LEU HA 1.0 1.80 4.09 839 695 A 40 LEU HA A 40 LEU HDy% 1.0 1.80 5.21 840 696 A 40 LEU HA A 40 LEU HDx% 1.0 1.80 5.21 841 697 A 42 GLU HA A 32 GLU HA 1.0 1.80 4.58 842 698 A 47 VAL HA A 50 LYS HBx 1.0 1.80 5.44 843 699 A 49 PHE HA A 52 ARG H 1.0 1.80 5.79 844 700 A 49 PHE HA A 52 ARG HBy 1.0 1.80 5.05 845 701 A 63 ILE HD1% A 60 GLU HA 1.0 1.80 7.11 846 702 A 61 GLU HA A 62 PHE HA 1.0 1.80 5.64 847 703 A 60 GLU HBy A 62 PHE HA 1.0 1.80 6.06 848 703 A 60 GLU HBx A 62 PHE HA 1.0 1.80 6.06 849 704 A 63 ILE HA A 64 VAL HB 1.0 1.80 5.60 850 705 A 1 GLN HBx A 1 GLN HGy 1.0 1.80 3.84 851 705 A 1 GLN HBx A 1 GLN HGx 1.0 1.80 3.84 852 706 A 4 GLN HBy A 4 GLN HGy 1.0 1.80 4.29 853 706 A 4 GLN HBy A 4 GLN HGx 1.0 1.80 4.29 854 706 A 4 GLN HBx A 4 GLN HGy 1.0 1.80 4.29 855 706 A 4 GLN HBx A 4 GLN HGx 1.0 1.80 4.29 856 707 A 1 GLN HGy A 1 GLN HBy 1.0 1.80 3.84 857 707 A 1 GLN HGx A 1 GLN HBy 1.0 1.80 3.84 858 708 A 58 LYS HEx A 58 LYS HBy 1.0 1.80 5.93 859 708 A 58 LYS HEy A 58 LYS HBy 1.0 1.80 5.93 860 708 A 58 LYS HEy A 58 LYS HBx 1.0 1.80 5.93 861 708 A 58 LYS HEx A 58 LYS HBx 1.0 1.80 5.93 862 709 A 22 ARG HDy A 22 ARG HBx 1.0 1.80 3.91 863 709 A 22 ARG HDx A 22 ARG HBx 1.0 1.80 3.91 864 710 A 61 GLU HA A 61 GLU HGy 1.0 1.80 4.27 865 711 A 44 ARG HGy A 44 ARG HA 1.0 1.80 4.18 866 712 A 55 LYS HEy A 58 LYS HBy 1.0 1.80 7.43 867 712 A 55 LYS HEy A 58 LYS HBx 1.0 1.80 7.43 868 712 A 55 LYS HEx A 58 LYS HBy 1.0 1.80 7.43 869 712 A 55 LYS HEx A 58 LYS HBx 1.0 1.80 7.43 870 713 A 54 ALA HB% A 58 LYS HEx 1.0 1.80 6.65 871 713 A 54 ALA HB% A 58 LYS HEy 1.0 1.80 6.65 872 714 A 45 VAL HGx% A 31 ARG HGx 1.0 1.80 6.93 873 714 A 45 VAL HGx% A 31 ARG HGy 1.0 1.80 6.93 874 715 A 26 PRO HBy A 31 ARG HGy 1.0 1.80 5.81 875 715 A 26 PRO HBy A 31 ARG HGx 1.0 1.80 5.81 876 716 A 54 ALA HB% A 58 LYS HBx 1.0 1.80 7.16 877 716 A 54 ALA HB% A 58 LYS HBy 1.0 1.80 7.16 878 717 A 41 THR H A 40 LEU HBx 1.0 1.80 3.82 879 718 A 20 PHE H A 48 TRP HZ3 1.0 1.80 4.84 880 719 A 52 ARG HBx A 52 ARG H 1.0 1.80 4.18 881 720 A 38 THR HG1 A 38 THR H 1.0 1.80 4.01 882 721 A 26 PRO HA A 27 ASP H 1.0 1.80 3.45 883 722 A 27 ASP H A 27 ASP HBy 1.0 1.80 4.27 884 723 A 27 ASP H A 27 ASP HBx 1.0 1.80 4.27 885 724 A 26 PRO HBx A 27 ASP H 1.0 1.80 4.66 886 725 A 4 GLN HA A 5 ARG H 1.0 1.80 4.01 887 726 A 41 THR HA A 42 GLU H 1.0 1.80 3.79 888 727 A 1 GLN HA A 2 ARG H 1.0 1.80 3.58 889 728 A 48 TRP H A 44 ARG HA 1.0 1.80 5.03 890 729 A 45 VAL HA A 48 TRP H 1.0 1.80 4.57 891 730 A 50 LYS HBy A 54 ALA H 1.0 1.80 5.51 892 731 A 47 VAL H A 46 ARG H 1.0 1.80 4.35 893 732 A 46 ARG H A 43 ALA HA 1.0 1.80 4.50 894 733 A 42 GLU HA A 46 ARG H 1.0 1.80 4.89 895 734 A 45 VAL HB A 46 ARG H 1.0 1.80 4.20 896 735 A 50 LYS HBx A 50 LYS H 1.0 1.80 4.06 897 736 A 56 TRP HD1 A 56 TRP H 1.0 1.80 6.00 898 737 A 56 TRP H A 55 LYS HBy 1.0 1.80 4.35 899 738 A 31 ARG HGy A 31 ARG H 1.0 1.80 4.94 900 738 A 31 ARG HGx A 31 ARG H 1.0 1.80 4.94 901 739 A 37 TRP HD1 A 37 TRP H 1.0 1.80 4.82 902 740 A 40 LEU HDy% A 40 LEU H 1.0 1.80 5.34 903 741 A 52 ARG HBy A 53 ARG H 1.0 1.80 4.45 904 742 A 55 LYS H A 55 LYS HBx 1.0 1.80 4.15 905 743 A 45 VAL H A 44 ARG H 1.0 1.80 4.01 906 744 A 45 VAL H A 44 ARG HGy 1.0 1.80 5.23 907 745 A 45 VAL H A 40 LEU HBx 1.0 1.80 5.06 908 746 A 45 VAL H A 43 ALA HB% 1.0 1.80 6.62 909 747 A 9 THR HG1 A 12 GLN H 1.0 1.80 4.64 910 748 A 51 ASN H A 50 LYS HBy 1.0 1.80 4.38 911 749 A 51 ASN H A 50 LYS HBx 1.0 1.80 4.69 912 750 A 62 PHE H A 57 ARG HA 1.0 1.80 4.42 913 751 A 32 GLU HGy A 32 GLU H 1.0 1.80 4.18 914 752 A 50 LYS H A 49 PHE H 1.0 1.80 4.44 915 753 A 10 SER HA A 14 GLN H 1.0 1.80 4.46 916 754 A 13 LEU HBx A 14 GLN H 1.0 1.80 4.61 917 755 A 13 LEU HBy A 13 LEU H 1.0 1.80 4.00 918 756 A 13 LEU H A 13 LEU HG 1.0 1.80 4.55 919 757 A 8 PHE HBy A 9 THR H 1.0 1.80 4.83 920 758 A 20 PHE HBx A 21 GLN H 1.0 1.80 4.75 921 759 A 6 THR HB A 6 THR H 1.0 1.80 4.10 922 760 A 8 PHE HBy A 8 PHE H 1.0 1.80 4.33 923 761 A 8 PHE HBx A 8 PHE H 1.0 1.80 4.33 924 762 A 41 THR H A 44 ARG HDy 1.0 1.80 6.00 925 763 A 5 ARG HGx A 6 THR H 1.0 1.80 5.48 926 764 A 15 GLU H A 14 GLN HBy 1.0 1.80 4.54 927 765 A 15 GLU H A 14 GLN HBx 1.0 1.80 4.54 928 766 A 63 ILE H A 64 VAL H 1.0 1.80 5.10 929 767 A 13 LEU HBx A 17 GLU H 1.0 1.80 5.78 930 768 A 37 TRP HBy A 37 TRP H 1.0 1.80 4.12 931 769 A 21 GLN H A 22 ARG HBy 1.0 1.80 6.00 932 770 A 19 THR H A 19 THR HG1 1.0 1.80 5.06 933 771 A 59 ARG HBy A 59 ARG H 1.0 1.80 4.27 934 772 A 10 SER HBy A 13 LEU H 1.0 1.80 6.61 935 772 A 10 SER HBx A 13 LEU H 1.0 1.80 6.61 936 773 A 12 GLN H A 12 GLN HGx 1.0 1.80 4.24 937 774 A 51 ASN HBy A 51 ASN H 1.0 1.80 3.83 938 775 A 45 VAL H A 43 ALA H 1.0 1.80 5.10 939 776 A 38 THR HG1 A 40 LEU H 1.0 1.80 4.77 940 777 A 33 GLU HA A 37 TRP H 1.0 1.80 5.75 941 778 A 56 TRP H A 54 ALA HA 1.0 1.80 4.55 942 779 A 30 THR HG2% A 33 GLU H 1.0 1.80 7.11 943 780 A 26 PRO HBy A 31 ARG H 1.0 1.80 5.69 944 781 A 48 TRP H A 48 TRP HD1 1.0 1.80 5.77 945 782 A 51 ASN HBy A 48 TRP H 1.0 1.80 6.06 946 783 A 31 ARG HA A 35 ALA H 1.0 1.80 4.97 947 784 A 22 ARG HDy A 23 ASN H 1.0 1.80 5.44 948 784 A 22 ARG HDx A 23 ASN H 1.0 1.80 5.44 949 785 A 42 GLU H A 44 ARG H 1.0 1.80 4.87 950 786 A 13 LEU H A 9 THR H 1.0 1.80 5.62 951 787 A 20 PHE H A 19 THR HG1 1.0 1.80 5.55 952 788 A 17 GLU H A 17 GLU HBx 1.0 1.80 4.17 953 789 A 1 GLN HBy A 2 ARG H 1.0 1.80 5.53 954 790 A 3 ARG HA A 4 GLN H 1.0 1.80 3.34 955 791 A 41 THR H A 40 LEU HA 1.0 1.80 3.88 956 792 A 35 ALA HA A 41 THR H 1.0 1.80 4.95 957 793 A 41 THR H A 44 ARG HBy 1.0 1.80 4.44 958 794 A 63 ILE HA A 64 VAL H 1.0 1.80 3.35 959 795 A 64 VAL H A 64 VAL HB 1.0 1.80 4.22 960 796 A 63 ILE HG2% A 64 VAL H 1.0 1.80 5.00 961 797 A 51 ASN H A 52 ARG H 1.0 1.80 4.02 962 798 A 19 THR H A 20 PHE H 1.0 1.80 3.97 963 799 A 20 PHE H A 21 GLN H 1.0 1.80 4.29 964 800 A 19 THR HB A 20 PHE H 1.0 1.80 3.94 965 801 A 20 PHE H A 20 PHE HBy 1.0 1.80 3.88 966 802 A 20 PHE H A 20 PHE HBx 1.0 1.80 3.88 967 803 A 51 ASN HBy A 52 ARG H 1.0 1.80 4.33 968 804 A 52 ARG H A 52 ARG HBy 1.0 1.80 4.18 969 805 A 38 THR H A 39 ASN HA 1.0 1.80 5.41 970 806 A 35 ALA HA A 38 THR H 1.0 1.80 4.51 971 807 A 37 TRP HBy A 38 THR H 1.0 1.80 4.54 972 808 A 38 THR HG2% A 38 THR H 1.0 1.80 4.73 973 809 A 35 ALA H A 37 TRP H 1.0 1.80 5.68 974 810 A 35 ALA H A 45 VAL HB 1.0 1.80 6.00 975 811 A 35 ALA HB% A 35 ALA H 1.0 1.80 4.10 976 812 A 45 VAL HGx% A 35 ALA H 1.0 1.80 6.48 977 813 A 45 VAL HGy% A 35 ALA H 1.0 1.80 5.18 978 814 A 27 ASP H A 30 THR HB 1.0 1.80 4.11 979 815 A 4 GLN HBy A 5 ARG H 1.0 1.80 4.26 980 815 A 4 GLN HBx A 5 ARG H 1.0 1.80 4.26 981 816 A 5 ARG H A 5 ARG HBx 1.0 1.80 4.58 982 817 A 32 GLU HA A 42 GLU H 1.0 1.80 5.28 983 818 A 42 GLU HGy A 42 GLU H 1.0 1.80 5.14 984 819 A 42 GLU H A 42 GLU HBy 1.0 1.80 4.20 985 820 A 42 GLU H A 42 GLU HBx 1.0 1.80 4.20 986 821 A 41 THR HG2% A 42 GLU H 1.0 1.80 4.91 987 822 A 2 ARG HDy A 2 ARG H 1.0 1.80 5.75 988 822 A 2 ARG HDx A 2 ARG H 1.0 1.80 5.75 989 823 A 2 ARG HGy A 2 ARG H 1.0 1.80 4.66 990 823 A 2 ARG HGx A 2 ARG H 1.0 1.80 4.66 991 824 A 63 ILE H A 62 PHE HBy 1.0 1.80 5.16 992 824 A 63 ILE H A 62 PHE HBx 1.0 1.80 5.16 993 825 A 63 ILE H A 60 GLU HBy 1.0 1.80 4.53 994 825 A 63 ILE H A 60 GLU HBx 1.0 1.80 4.53 995 826 A 16 LEU H A 16 LEU HBx 1.0 1.80 4.26 996 827 A 15 GLU H A 16 LEU H 1.0 1.80 4.13 997 828 A 16 LEU H A 13 LEU HA 1.0 1.80 4.42 998 829 A 16 LEU H A 16 LEU HG 1.0 1.80 4.55 999 830 A 16 LEU H A 16 LEU HBy 1.0 1.80 4.26 1000 831 A 48 TRP H A 47 VAL H 1.0 1.80 4.28 1001 832 A 48 TRP H A 49 PHE HDy 1.0 1.80 5.61 1002 832 A 48 TRP H A 49 PHE HDx 1.0 1.80 5.61 1003 833 A 47 VAL HB A 48 TRP H 1.0 1.80 4.49 1004 834 A 3 ARG HDy A 4 GLN H 1.0 1.80 5.62 1005 834 A 3 ARG HDx A 4 GLN H 1.0 1.80 5.62 1006 835 A 4 GLN HBy A 4 GLN H 1.0 1.80 3.97 1007 835 A 4 GLN HBx A 4 GLN H 1.0 1.80 3.97 1008 836 A 52 ARG H A 54 ALA H 1.0 1.80 4.64 1009 837 A 54 ALA H A 53 ARG H 1.0 1.80 4.13 1010 838 A 54 ALA H A 53 ARG HBy 1.0 1.80 4.63 1011 839 A 54 ALA HB% A 54 ALA H 1.0 1.80 4.02 1012 840 A 46 ARG H A 46 ARG HBx 1.0 1.80 3.96 1013 841 A 46 ARG H A 46 ARG HBy 1.0 1.80 3.96 1014 842 A 45 VAL HGy% A 46 ARG H 1.0 1.80 5.44 1015 843 A 45 VAL HGx% A 46 ARG H 1.0 1.80 5.16 1016 844 A 23 ASN HA A 24 ARG H 1.0 1.80 3.50 1017 845 A 23 ASN HBy A 24 ARG H 1.0 1.80 5.12 1018 845 A 23 ASN HBx A 24 ARG H 1.0 1.80 5.12 1019 846 A 24 ARG H A 24 ARG HDy 1.0 1.80 5.01 1020 847 A 24 ARG H A 24 ARG HGy 1.0 1.80 4.23 1021 848 A 24 ARG H A 24 ARG HGx 1.0 1.80 4.23 1022 849 A 47 VAL HA A 50 LYS H 1.0 1.80 4.11 1023 850 A 50 LYS H A 49 PHE HBy 1.0 1.80 4.64 1024 850 A 50 LYS H A 49 PHE HBx 1.0 1.80 4.64 1025 851 A 56 TRP H A 56 TRP HBx 1.0 1.80 4.08 1026 852 A 33 GLU H A 32 GLU H 1.0 1.80 4.05 1027 853 A 33 GLU HBy A 33 GLU H 1.0 1.80 3.87 1028 854 A 34 ILE HB A 33 GLU H 1.0 1.80 5.59 1029 855 A 32 GLU H A 30 THR H 1.0 1.80 5.56 1030 856 A 33 GLU H A 30 THR H 1.0 1.80 5.41 1031 857 A 11 GLN H A 9 THR HG1 1.0 1.80 4.85 1032 858 A 30 THR HB A 30 THR H 1.0 1.80 3.64 1033 859 A 29 SER HBy A 30 THR H 1.0 1.80 4.27 1034 859 A 29 SER HBx A 30 THR H 1.0 1.80 4.27 1035 860 A 11 GLN H A 11 GLN HBy 1.0 1.80 3.83 1036 861 A 11 GLN H A 11 GLN HBx 1.0 1.80 3.83 1037 862 A 9 THR HG2% A 11 GLN H 1.0 1.80 5.57 1038 863 A 31 ARG H A 30 THR H 1.0 1.80 3.93 1039 864 A 31 ARG H A 30 THR HB 1.0 1.80 4.03 1040 865 A 31 ARG H A 31 ARG HBy 1.0 1.80 4.11 1041 866 A 31 ARG H A 31 ARG HBx 1.0 1.80 4.11 1042 867 A 34 ILE HD1% A 31 ARG H 1.0 1.80 6.00 1043 868 A 47 VAL H A 44 ARG HA 1.0 1.80 4.68 1044 869 A 47 VAL HB A 47 VAL H 1.0 1.80 3.60 1045 870 A 47 VAL HGx% A 47 VAL H 1.0 1.80 6.00 1046 871 A 18 ALA H A 19 THR HB 1.0 1.80 5.36 1047 872 A 18 ALA H A 14 GLN HA 1.0 1.80 5.21 1048 873 A 18 ALA H A 17 GLU HGy 1.0 1.80 5.00 1049 874 A 18 ALA H A 17 GLU HBx 1.0 1.80 4.62 1050 875 A 18 ALA HB% A 18 ALA H 1.0 1.80 4.25 1051 876 A 57 ARG HA A 61 GLU H 1.0 1.80 3.96 1052 877 A 37 TRP H A 36 VAL H 1.0 1.80 4.05 1053 878 A 36 VAL HB A 37 TRP H 1.0 1.80 3.90 1054 879 A 40 LEU H A 39 ASN H 1.0 1.80 3.77 1055 880 A 40 LEU H A 36 VAL H 1.0 1.80 6.00 1056 881 A 49 PHE HDy A 53 ARG H 1.0 1.80 6.67 1057 881 A 49 PHE HDx A 53 ARG H 1.0 1.80 6.67 1058 882 A 53 ARG H A 55 LYS H 1.0 1.80 4.63 1059 883 A 41 THR H A 40 LEU H 1.0 1.80 4.95 1060 884 A 53 ARG H A 50 LYS HA 1.0 1.80 4.70 1061 885 A 35 ALA HA A 40 LEU H 1.0 1.80 3.92 1062 886 A 53 ARG H A 53 ARG HBx 1.0 1.80 4.19 1063 887 A 40 LEU HBy A 40 LEU H 1.0 1.80 4.01 1064 888 A 40 LEU HBx A 40 LEU H 1.0 1.80 4.06 1065 889 A 40 LEU HG A 40 LEU H 1.0 1.80 4.72 1066 890 A 52 ARG HBx A 53 ARG H 1.0 1.80 4.45 1067 891 A 54 ALA H A 55 LYS H 1.0 1.80 4.06 1068 892 A 54 ALA HB% A 55 LYS H 1.0 1.80 4.50 1069 893 A 45 VAL H A 46 ARG H 1.0 1.80 4.16 1070 894 A 45 VAL H A 45 VAL HB 1.0 1.80 3.80 1071 895 A 45 VAL H A 44 ARG HBy 1.0 1.80 4.25 1072 896 A 15 GLU H A 12 GLN HA 1.0 1.80 5.17 1073 897 A 34 ILE H A 30 THR HA 1.0 1.80 4.82 1074 898 A 42 GLU H A 43 ALA H 1.0 1.80 4.32 1075 899 A 34 ILE H A 33 GLU H 1.0 1.80 4.13 1076 900 A 44 ARG H A 43 ALA H 1.0 1.80 4.13 1077 901 A 33 GLU HBy A 34 ILE H 1.0 1.80 4.15 1078 902 A 34 ILE H A 34 ILE HB 1.0 1.80 3.74 1079 903 A 34 ILE HG1y A 34 ILE H 1.0 1.80 4.67 1080 904 A 42 GLU HGx A 43 ALA H 1.0 1.80 5.10 1081 905 A 15 GLU H A 17 GLU H 1.0 1.80 4.85 1082 906 A 23 ASN H A 22 ARG H 1.0 1.80 3.14 1083 907 A 20 PHE HA A 23 ASN H 1.0 1.80 4.05 1084 908 A 14 GLN HA A 17 GLU H 1.0 1.80 4.86 1085 909 A 22 ARG HGy A 23 ASN H 1.0 1.80 4.71 1086 910 A 22 ARG HGx A 23 ASN H 1.0 1.80 4.71 1087 911 A 19 THR HG2% A 23 ASN H 1.0 1.80 5.56 1088 912 A 12 GLN H A 9 THR H 1.0 1.80 4.50 1089 913 A 11 GLN H A 12 GLN H 1.0 1.80 4.13 1090 914 A 12 GLN H A 12 GLN HGy 1.0 1.80 4.24 1091 915 A 11 GLN HGy A 12 GLN H 1.0 1.80 5.35 1092 915 A 11 GLN HGx A 12 GLN H 1.0 1.80 5.35 1093 916 A 28 MET H A 29 SER H 1.0 1.80 3.90 1094 917 A 51 ASN H A 50 LYS H 1.0 1.80 4.06 1095 918 A 28 MET HGy A 28 MET H 1.0 1.80 4.02 1096 918 A 28 MET HGx A 28 MET H 1.0 1.80 4.02 1097 919 A 39 ASN HA A 39 ASN H 1.0 1.80 3.32 1098 920 A 37 TRP HBy A 39 ASN H 1.0 1.80 6.00 1099 921 A 39 ASN H A 39 ASN HBx 1.0 1.80 4.26 1100 922 A 35 ALA HB% A 39 ASN H 1.0 1.80 6.24 1101 923 A 65 THR H A 64 VAL HB 1.0 1.80 5.04 1102 924 A 63 ILE HG2% A 65 THR H 1.0 1.80 6.86 1103 925 A 62 PHE H A 62 PHE HDy 1.0 1.80 5.17 1104 925 A 62 PHE H A 62 PHE HDx 1.0 1.80 5.17 1105 926 A 31 ARG H A 32 GLU H 1.0 1.80 4.18 1106 927 A 32 GLU H A 32 GLU HBy 1.0 1.80 4.10 1107 928 A 32 GLU H A 32 GLU HBx 1.0 1.80 4.10 1108 929 A 48 TRP H A 49 PHE H 1.0 1.80 4.39 1109 930 A 49 PHE H A 49 PHE HBy 1.0 1.80 3.92 1110 930 A 49 PHE H A 49 PHE HBx 1.0 1.80 3.92 1111 931 A 37 TRP HBx A 36 VAL H 1.0 1.80 6.00 1112 932 A 36 VAL HGx% A 36 VAL H 1.0 1.80 5.17 1113 933 A 14 GLN H A 13 LEU H 1.0 1.80 4.04 1114 934 A 15 GLU H A 14 GLN H 1.0 1.80 4.08 1115 935 A 14 GLN H A 14 GLN HBy 1.0 1.80 4.17 1116 936 A 13 LEU HBy A 14 GLN H 1.0 1.80 4.17 1117 937 A 13 LEU HDx% A 14 GLN H 1.0 1.80 6.12 1118 938 A 14 GLN HA A 13 LEU H 1.0 1.80 5.98 1119 939 A 13 LEU HBx A 13 LEU H 1.0 1.80 4.09 1120 940 A 60 GLU H A 59 ARG H 1.0 1.80 4.12 1121 941 A 56 TRP HA A 59 ARG H 1.0 1.80 4.86 1122 942 A 44 ARG HBy A 44 ARG H 1.0 1.80 3.73 1123 943 A 44 ARG HBx A 44 ARG H 1.0 1.80 4.26 1124 944 A 41 THR HG2% A 44 ARG H 1.0 1.80 6.11 1125 945 A 45 VAL HGy% A 44 ARG H 1.0 1.80 6.07 1126 946 A 21 GLN H A 22 ARG H 1.0 1.80 4.04 1127 947 A 11 GLN H A 10 SER H 1.0 1.80 4.55 1128 948 A 9 THR HA A 10 SER H 1.0 1.80 3.97 1129 949 A 10 SER HBy A 10 SER H 1.0 1.80 4.57 1130 949 A 10 SER HBx A 10 SER H 1.0 1.80 4.57 1131 950 A 24 ARG H A 25 TYR H 1.0 1.80 3.87 1132 951 A 25 TYR H A 25 TYR HBy 1.0 1.80 4.57 1133 952 A 23 ASN HBy A 25 TYR H 1.0 1.80 5.43 1134 952 A 23 ASN HBx A 25 TYR H 1.0 1.80 5.43 1135 953 A 25 TYR H A 25 TYR HBx 1.0 1.80 4.57 1136 954 A 25 TYR H A 24 ARG HBx 1.0 1.80 5.20 1137 955 A 19 THR H A 19 THR HB 1.0 1.80 3.97 1138 956 A 19 THR H A 17 GLU HA 1.0 1.80 5.02 1139 957 A 19 THR H A 15 GLU HA 1.0 1.80 4.65 1140 958 A 19 THR H A 17 GLU HGx 1.0 1.80 5.50 1141 959 A 19 THR H A 17 GLU HBx 1.0 1.80 6.00 1142 960 A 22 ARG HBy A 21 GLN HE2x 1.0 1.80 6.00 1143 961 A 8 PHE HDy A 9 THR H 1.0 1.80 5.46 1144 961 A 8 PHE HDx A 9 THR H 1.0 1.80 5.46 1145 962 A 27 ASP HBy A 29 SER H 1.0 1.80 4.63 1146 963 A 27 ASP HBx A 29 SER H 1.0 1.80 4.63 1147 964 A 28 MET HGy A 29 SER H 1.0 1.80 3.96 1148 964 A 28 MET HGx A 29 SER H 1.0 1.80 3.96 1149 965 A 17 GLU HA A 21 GLN H 1.0 1.80 4.88 1150 966 A 21 GLN H A 20 PHE HBy 1.0 1.80 4.75 1151 967 A 3 ARG H A 2 ARG HA 1.0 1.80 3.79 1152 968 A 6 THR H A 5 ARG HA 1.0 1.80 3.77 1153 969 A 6 THR HA A 7 HIS H 1.0 1.80 3.63 1154 970 A 31 ARG HA A 33 GLU H 1.0 1.80 5.34 1155 971 A 14 GLN H A 12 GLN H 1.0 1.80 4.92 1156 972 A 3 ARG H A 2 ARG H 1.0 1.80 5.50 1157 973 A 35 ALA H A 36 VAL HB 1.0 1.80 5.19 1158 974 A 34 ILE HB A 35 ALA H 1.0 1.80 3.98 1159 975 A 35 ALA H A 32 GLU HA 1.0 1.80 4.15 1160 976 A 6 THR H A 5 ARG H 1.0 1.80 5.29 1161 977 A 46 ARG H A 44 ARG H 1.0 1.80 5.17 1162 978 A 56 TRP H A 55 LYS HBx 1.0 1.80 4.35 1163 979 A 56 TRP H A 56 TRP HBy 1.0 1.80 4.08 1164 980 A 31 ARG H A 31 ARG HDy 1.0 1.80 5.83 1165 981 A 36 VAL HGy% A 37 TRP H 1.0 1.80 5.35 1166 982 A 45 VAL HB A 44 ARG H 1.0 1.80 5.38 1167 983 A 13 LEU HDx% A 48 TRP HE1 1.0 1.80 5.52 1168 984 A 37 TRP HBx A 37 TRP HE1 1.0 1.80 5.22 1169 985 A 38 THR HG2% A 37 TRP HE1 1.0 1.80 7.11 1170 986 A 34 ILE HG2% A 37 TRP HE1 1.0 1.80 7.02 1171 987 A 36 VAL HGx% A 37 TRP HE1 1.0 1.80 7.11 1172 988 A 46 ARG HDy A 47 VAL H 1.0 1.80 5.93 1173 988 A 46 ARG HDx A 47 VAL H 1.0 1.80 5.93 1174 989 A 39 ASN HA A 39 ASN HD2x 1.0 1.80 5.45 1175 990 A 39 ASN HBy A 39 ASN HD2x 1.0 1.80 4.60 1176 991 A 26 PRO HA A 23 ASN HD2x 1.0 1.80 4.48 1177 992 A 30 THR HG2% A 23 ASN HD2y 1.0 1.80 5.57 1178 993 A 40 LEU HG A 12 GLN HE2x 1.0 1.80 4.79 1179 994 A 40 LEU HG A 12 GLN HE2y 1.0 1.80 4.79 1180 995 A 34 ILE HD1% A 37 TRP HE1 1.0 1.80 7.11 1181 996 A 56 TRP HBx A 57 ARG H 1.0 1.80 4.62 1182 997 A 35 ALA H A 36 VAL H 1.0 1.80 3.97 1183 998 A 38 THR HG2% A 12 GLN H 1.0 1.80 6.64 1184 999 A 43 ALA H A 42 GLU HBx 1.0 1.80 4.59 1185 1000 A 7 HIS H A 7 HIS HBy 1.0 1.80 4.32 1186 1001 A 41 THR H A 40 LEU HBy 1.0 1.80 4.29 1187 1002 A 41 THR H A 40 LEU HDx% 1.0 1.80 5.63 1188 1003 A 16 LEU H A 16 LEU HDy% 1.0 1.80 5.21 1189 1004 A 44 ARG H A 44 ARG HDx 1.0 1.80 4.70 1190 1005 A 23 ASN HBy A 22 ARG H 1.0 1.80 5.42 1191 1005 A 23 ASN HBx A 22 ARG H 1.0 1.80 5.42 1192 1006 A 48 TRP HE1 A 17 GLU HBy 1.0 1.80 6.00 1193 1007 A 8 PHE HEy A 48 TRP HE1 1.0 1.80 6.19 1194 1007 A 8 PHE HEx A 48 TRP HE1 1.0 1.80 6.19 1195 1008 A 8 PHE HDy A 48 TRP HE1 1.0 1.80 5.85 1196 1008 A 8 PHE HDx A 48 TRP HE1 1.0 1.80 5.85 1197 1009 A 57 ARG HA A 56 TRP HE1 1.0 1.80 4.92 1198 1010 A 19 THR H A 49 PHE HZ 1.0 1.80 5.43 1199 1011 A 28 MET HA A 27 ASP H 1.0 1.80 6.00 1200 1012 A 31 ARG HA A 27 ASP H 1.0 1.80 6.00 1201 1013 A 35 ALA HB% A 40 LEU H 1.0 1.80 5.00 1202 1014 A 18 ALA HB% A 14 GLN HE2x 1.0 1.80 6.99 1203 1015 A 37 TRP H A 37 TRP HE1 1.0 1.80 5.54 1204 1016 A 47 VAL H A 49 PHE H 1.0 1.80 5.64 1205 1017 A 1 GLN HBx A 2 ARG H 1.0 1.80 5.53 1206 1018 A 5 ARG HGy A 6 THR H 1.0 1.80 5.48 1207 1019 A 9 THR H A 12 GLN HGx 1.0 1.80 4.69 1208 1020 A 9 THR H A 12 GLN HGy 1.0 1.80 4.69 1209 1021 A 9 THR HG2% A 10 SER H 1.0 1.80 5.42 1210 1022 A 14 GLN HA A 14 GLN HE2y 1.0 1.80 5.11 1211 1023 A 27 ASP H A 23 ASN HD2x 1.0 1.80 5.22 1212 1024 A 37 TRP HA A 36 VAL H 1.0 1.80 5.94 1213 1025 A 38 THR H A 39 ASN HBx 1.0 1.80 5.77 1214 1026 A 45 VAL H A 41 THR H 1.0 1.80 4.66 1215 1027 A 45 VAL HGx% A 49 PHE H 1.0 1.80 5.72 1216 1028 A 55 LYS HGy A 55 LYS H 1.0 1.80 5.21 1217 1029 A 54 ALA H A 52 ARG HA 1.0 1.80 5.42 1218 1030 A 54 ALA H A 56 TRP H 1.0 1.80 5.18 1219 1031 A 11 GLN HGy A 11 GLN HE2x 1.0 1.80 4.61 1220 1031 A 11 GLN HGx A 11 GLN HE2x 1.0 1.80 4.61 1221 1032 A 41 THR H A 44 ARG HBx 1.0 1.80 4.80 1222 1033 A 41 THR H A 44 ARG HGy 1.0 1.80 5.05 1223 1034 A 41 THR H A 44 ARG HGx 1.0 1.80 4.39 1224 1035 A 35 ALA HB% A 41 THR H 1.0 1.80 4.67 1225 1036 A 41 THR H A 40 LEU HG 1.0 1.80 4.17 1226 1037 A 41 THR H A 40 LEU HDy% 1.0 1.80 5.63 1227 1038 A 60 GLU HBy A 64 VAL H 1.0 1.80 6.31 1228 1038 A 60 GLU HBx A 64 VAL H 1.0 1.80 6.31 1229 1039 A 52 ARG H A 53 ARG H 1.0 1.80 4.13 1230 1040 A 49 PHE HEy A 20 PHE H 1.0 1.80 4.98 1231 1040 A 49 PHE HEx A 20 PHE H 1.0 1.80 4.98 1232 1041 A 49 PHE HZ A 20 PHE H 1.0 1.80 4.48 1233 1042 A 20 PHE HDy A 20 PHE H 1.0 1.80 5.23 1234 1042 A 20 PHE HDx A 20 PHE H 1.0 1.80 5.23 1235 1043 A 48 TRP HH2 A 20 PHE H 1.0 1.80 5.06 1236 1044 A 51 ASN HBx A 52 ARG H 1.0 1.80 4.41 1237 1045 A 19 THR HG2% A 20 PHE H 1.0 1.80 4.84 1238 1046 A 38 THR H A 40 LEU H 1.0 1.80 4.32 1239 1047 A 12 GLN HA A 38 THR H 1.0 1.80 6.00 1240 1048 A 36 VAL HA A 38 THR H 1.0 1.80 6.00 1241 1049 A 37 TRP HBx A 38 THR H 1.0 1.80 4.01 1242 1050 A 34 ILE HG2% A 38 THR H 1.0 1.80 5.30 1243 1051 A 35 ALA H A 33 GLU H 1.0 1.80 4.78 1244 1052 A 27 ASP H A 23 ASN HD2y 1.0 1.80 5.22 1245 1053 A 30 THR HG2% A 27 ASP H 1.0 1.80 5.22 1246 1054 A 5 ARG H A 5 ARG HA 1.0 1.80 3.47 1247 1055 A 4 GLN HGy A 5 ARG H 1.0 1.80 4.83 1248 1055 A 4 GLN HGx A 5 ARG H 1.0 1.80 4.83 1249 1056 A 5 ARG H A 5 ARG HBy 1.0 1.80 4.58 1250 1057 A 63 ILE H A 62 PHE HDy 1.0 1.80 5.73 1251 1057 A 63 ILE H A 62 PHE HDx 1.0 1.80 5.73 1252 1058 A 63 ILE H A 57 ARG HA 1.0 1.80 6.00 1253 1059 A 63 ILE H A 63 ILE HG1y 1.0 1.80 4.70 1254 1060 A 63 ILE H A 63 ILE HG1x 1.0 1.80 4.70 1255 1061 A 63 ILE H A 63 ILE HG2% 1.0 1.80 6.11 1256 1062 A 16 LEU HDx% A 16 LEU H 1.0 1.80 5.21 1257 1063 A 16 LEU H A 18 ALA H 1.0 1.80 5.28 1258 1064 A 19 THR H A 16 LEU H 1.0 1.80 5.97 1259 1065 A 48 TRP H A 48 TRP HE3 1.0 1.80 5.46 1260 1066 A 47 VAL HGx% A 48 TRP H 1.0 1.80 5.40 1261 1067 A 3 ARG H A 4 GLN H 1.0 1.80 4.95 1262 1068 A 3 ARG HGy A 4 GLN H 1.0 1.80 4.57 1263 1068 A 3 ARG HGx A 4 GLN H 1.0 1.80 4.57 1264 1069 A 51 ASN HA A 54 ALA H 1.0 1.80 4.66 1265 1070 A 54 ALA H A 50 LYS HA 1.0 1.80 4.99 1266 1071 A 54 ALA H A 53 ARG HBx 1.0 1.80 4.63 1267 1072 A 48 TRP H A 46 ARG H 1.0 1.80 5.06 1268 1073 A 46 ARG HDy A 46 ARG H 1.0 1.80 6.18 1269 1073 A 46 ARG HDx A 46 ARG H 1.0 1.80 6.18 1270 1074 A 52 ARG H A 50 LYS H 1.0 1.80 5.18 1271 1075 A 50 LYS HBy A 50 LYS H 1.0 1.80 4.14 1272 1076 A 50 LYS HGx A 50 LYS H 1.0 1.80 4.69 1273 1077 A 33 GLU H A 29 SER HA 1.0 1.80 4.88 1274 1078 A 33 GLU H A 33 GLU HGx 1.0 1.80 4.49 1275 1079 A 35 ALA HB% A 33 GLU H 1.0 1.80 6.29 1276 1080 A 36 VAL HGy% A 33 GLU H 1.0 1.80 5.63 1277 1081 A 11 GLN HGy A 11 GLN H 1.0 1.80 4.99 1278 1081 A 11 GLN HGx A 11 GLN H 1.0 1.80 4.99 1279 1082 A 26 PRO HBx A 30 THR H 1.0 1.80 4.95 1280 1083 A 30 THR HG2% A 30 THR H 1.0 1.80 5.27 1281 1084 A 33 GLU H A 31 ARG H 1.0 1.80 4.55 1282 1085 A 26 PRO HBx A 31 ARG H 1.0 1.80 4.47 1283 1086 A 30 THR HG2% A 31 ARG H 1.0 1.80 5.11 1284 1087 A 18 ALA H A 20 PHE H 1.0 1.80 4.87 1285 1088 A 18 ALA H A 17 GLU HGx 1.0 1.80 5.00 1286 1089 A 18 ALA H A 17 GLU HBy 1.0 1.80 4.44 1287 1090 A 60 GLU HBy A 61 GLU H 1.0 1.80 4.39 1288 1090 A 60 GLU HBx A 61 GLU H 1.0 1.80 4.39 1289 1091 A 34 ILE HA A 37 TRP H 1.0 1.80 4.49 1290 1092 A 40 LEU H A 39 ASN HA 1.0 1.80 3.87 1291 1093 A 39 ASN HBy A 40 LEU H 1.0 1.80 4.48 1292 1094 A 53 ARG H A 53 ARG HBy 1.0 1.80 4.19 1293 1095 A 40 LEU HDx% A 40 LEU H 1.0 1.80 5.34 1294 1096 A 56 TRP H A 55 LYS H 1.0 1.80 3.74 1295 1097 A 55 LYS H A 52 ARG HA 1.0 1.80 4.66 1296 1098 A 55 LYS HBy A 55 LYS H 1.0 1.80 4.15 1297 1099 A 45 VAL H A 48 TRP H 1.0 1.80 5.74 1298 1100 A 45 VAL H A 42 GLU HA 1.0 1.80 4.26 1299 1101 A 45 VAL H A 44 ARG HBx 1.0 1.80 4.60 1300 1102 A 45 VAL H A 45 VAL HGx% 1.0 1.80 5.10 1301 1103 A 7 HIS H A 7 HIS HBx 1.0 1.80 4.32 1302 1104 A 6 THR HG2% A 7 HIS H 1.0 1.80 4.88 1303 1105 A 8 PHE H A 7 HIS HA 1.0 1.80 3.60 1304 1106 A 26 PRO HBy A 27 ASP H 1.0 1.80 4.23 1305 1107 A 27 ASP H A 31 ARG H 1.0 1.80 5.16 1306 1108 A 36 VAL HGx% A 37 TRP H 1.0 1.80 4.88 1307 1109 A 37 TRP HBx A 37 TRP H 1.0 1.80 4.03 1308 1110 A 48 TRP HE3 A 52 ARG H 1.0 1.80 5.08 1309 1111 A 6 THR HG2% A 6 THR H 1.0 1.80 5.94 1310 1112 A 8 PHE HDy A 8 PHE H 1.0 1.80 5.39 1311 1112 A 8 PHE HDx A 8 PHE H 1.0 1.80 5.39 1312 1113 A 34 ILE HG2% A 16 LEU H 1.0 1.80 6.14 1313 1114 A 16 LEU H A 18 ALA HB% 1.0 1.80 6.28 1314 1115 A 20 PHE H A 17 GLU H 1.0 1.80 5.58 1315 1116 A 20 PHE H A 23 ASN H 1.0 1.80 5.88 1316 1117 A 24 ARG H A 24 ARG HDx 1.0 1.80 5.01 1317 1118 A 25 TYR HDy A 24 ARG H 1.0 1.80 5.32 1318 1118 A 25 TYR HDx A 24 ARG H 1.0 1.80 5.32 1319 1119 A 23 ASN H A 24 ARG H 1.0 1.80 5.05 1320 1120 A 27 ASP H A 28 MET H 1.0 1.80 5.34 1321 1121 A 30 THR HA A 27 ASP H 1.0 1.80 5.25 1322 1122 A 31 ARG H A 31 ARG HDx 1.0 1.80 5.83 1323 1123 A 34 ILE HD1% A 33 GLU H 1.0 1.80 6.52 1324 1124 A 34 ILE HG2% A 35 ALA H 1.0 1.80 4.76 1325 1125 A 35 ALA H A 33 GLU HBx 1.0 1.80 6.00 1326 1126 A 35 ALA H A 40 LEU HBy 1.0 1.80 5.46 1327 1127 A 38 THR HG1 A 35 ALA H 1.0 1.80 5.10 1328 1128 A 35 ALA H A 38 THR H 1.0 1.80 5.32 1329 1129 A 34 ILE H A 35 ALA H 1.0 1.80 4.36 1330 1130 A 35 ALA HB% A 37 TRP H 1.0 1.80 6.47 1331 1131 A 33 GLU HBx A 37 TRP H 1.0 1.80 5.75 1332 1132 A 38 THR HA A 37 TRP H 1.0 1.80 5.82 1333 1133 A 37 TRP HE3 A 37 TRP H 1.0 1.80 5.40 1334 1134 A 40 LEU H A 39 ASN HBx 1.0 1.80 4.81 1335 1135 A 36 VAL HA A 40 LEU H 1.0 1.80 5.63 1336 1136 A 41 THR H A 45 VAL HB 1.0 1.80 6.00 1337 1137 A 41 THR H A 44 ARG HDx 1.0 1.80 6.00 1338 1138 A 41 THR H A 44 ARG HA 1.0 1.80 6.00 1339 1139 A 43 ALA HB% A 42 GLU H 1.0 1.80 6.20 1340 1140 A 42 GLU HGx A 42 GLU H 1.0 1.80 5.14 1341 1141 A 45 VAL H A 44 ARG HGx 1.0 1.80 5.92 1342 1142 A 43 ALA HB% A 47 VAL H 1.0 1.80 6.73 1343 1143 A 48 TRP H A 44 ARG HBx 1.0 1.80 5.74 1344 1144 A 50 LYS HGy A 50 LYS H 1.0 1.80 4.69 1345 1145 A 51 ASN HBx A 50 LYS H 1.0 1.80 5.56 1346 1146 A 48 TRP H A 50 LYS H 1.0 1.80 5.67 1347 1147 A 55 LYS HA A 54 ALA H 1.0 1.80 5.95 1348 1148 A 55 LYS HGx A 55 LYS H 1.0 1.80 5.21 1349 1149 A 58 LYS HDy A 55 LYS H 1.0 1.80 6.67 1350 1149 A 58 LYS HDx A 55 LYS H 1.0 1.80 6.67 1351 1150 A 55 LYS HEy A 55 LYS H 1.0 1.80 6.22 1352 1150 A 55 LYS HEx A 55 LYS H 1.0 1.80 6.22 1353 1151 A 55 LYS H A 57 ARG H 1.0 1.80 5.48 1354 1152 A 56 TRP HA A 61 GLU H 1.0 1.80 6.00 1355 1153 A 62 PHE HA A 61 GLU H 1.0 1.80 6.00 1356 1154 A 64 VAL H A 63 ILE HG1y 1.0 1.80 5.99 1357 1155 A 64 VAL H A 63 ILE HG1x 1.0 1.80 5.99 1358 1156 A 1 GLN HGy A 2 ARG H 1.0 1.80 6.27 1359 1156 A 1 GLN HGx A 2 ARG H 1.0 1.80 6.27 1360 1157 A 2 ARG HDy A 3 ARG H 1.0 1.80 6.02 1361 1157 A 2 ARG HDx A 3 ARG H 1.0 1.80 6.02 1362 1158 A 3 ARG HDy A 3 ARG H 1.0 1.80 6.47 1363 1158 A 3 ARG HDx A 3 ARG H 1.0 1.80 6.47 1364 1159 A 4 GLN H A 5 ARG H 1.0 1.80 4.70 1365 1160 A 15 GLU H A 15 GLU HGy 1.0 1.80 4.59 1366 1161 A 38 THR HG2% A 15 GLU H 1.0 1.80 5.16 1367 1162 A 34 ILE H A 34 ILE HG2% 1.0 1.80 5.02 1368 1163 A 34 ILE H A 34 ILE HD1% 1.0 1.80 4.97 1369 1164 A 43 ALA H A 41 THR HB 1.0 1.80 3.87 1370 1165 A 42 GLU HGy A 43 ALA H 1.0 1.80 5.10 1371 1166 A 34 ILE H A 33 GLU HBx 1.0 1.80 4.20 1372 1167 A 41 THR HG2% A 43 ALA H 1.0 1.80 5.26 1373 1168 A 43 ALA HB% A 43 ALA H 1.0 1.80 4.05 1374 1169 A 60 GLU H A 56 TRP HA 1.0 1.80 4.91 1375 1170 A 60 GLU H A 57 ARG HA 1.0 1.80 5.21 1376 1171 A 60 GLU H A 60 GLU HGy 1.0 1.80 4.17 1377 1171 A 60 GLU H A 60 GLU HGx 1.0 1.80 4.17 1378 1172 A 60 GLU H A 59 ARG HGy 1.0 1.80 5.24 1379 1172 A 60 GLU H A 59 ARG HGx 1.0 1.80 5.24 1380 1173 A 18 ALA H A 17 GLU H 1.0 1.80 3.92 1381 1174 A 23 ASN H A 21 GLN HA 1.0 1.80 4.98 1382 1175 A 23 ASN H A 24 ARG HA 1.0 1.80 5.42 1383 1176 A 13 LEU HA A 17 GLU H 1.0 1.80 4.61 1384 1177 A 23 ASN HBy A 23 ASN H 1.0 1.80 4.09 1385 1177 A 23 ASN HBx A 23 ASN H 1.0 1.80 4.09 1386 1178 A 17 GLU H A 17 GLU HGy 1.0 1.80 4.25 1387 1179 A 17 GLU H A 17 GLU HGx 1.0 1.80 4.25 1388 1180 A 17 GLU H A 17 GLU HBy 1.0 1.80 3.79 1389 1181 A 12 GLN H A 11 GLN HBy 1.0 1.80 4.49 1390 1182 A 12 GLN H A 11 GLN HBx 1.0 1.80 4.49 1391 1183 A 9 THR HG2% A 12 GLN H 1.0 1.80 5.38 1392 1184 A 28 MET H A 27 ASP HA 1.0 1.80 3.79 1393 1185 A 47 VAL HA A 51 ASN H 1.0 1.80 4.55 1394 1186 A 51 ASN HBx A 51 ASN H 1.0 1.80 3.67 1395 1187 A 38 THR HG1 A 39 ASN H 1.0 1.80 4.65 1396 1188 A 36 VAL HA A 39 ASN H 1.0 1.80 4.67 1397 1189 A 35 ALA HA A 39 ASN H 1.0 1.80 5.06 1398 1190 A 37 TRP HBx A 39 ASN H 1.0 1.80 5.07 1399 1191 A 39 ASN HBy A 39 ASN H 1.0 1.80 4.50 1400 1192 A 40 LEU HBy A 39 ASN H 1.0 1.80 5.57 1401 1193 A 38 THR HG2% A 39 ASN H 1.0 1.80 5.33 1402 1194 A 36 VAL HGx% A 39 ASN H 1.0 1.80 6.24 1403 1195 A 65 THR H A 64 VAL HA 1.0 1.80 3.67 1404 1196 A 65 THR H A 65 THR HG2% 1.0 1.80 5.92 1405 1197 A 62 PHE H A 62 PHE HBy 1.0 1.80 4.50 1406 1197 A 62 PHE H A 62 PHE HBx 1.0 1.80 4.50 1407 1198 A 62 PHE H A 60 GLU HBy 1.0 1.80 5.10 1408 1198 A 62 PHE H A 60 GLU HBx 1.0 1.80 5.10 1409 1199 A 32 GLU H A 29 SER HA 1.0 1.80 4.37 1410 1200 A 28 MET HA A 32 GLU H 1.0 1.80 4.82 1411 1201 A 32 GLU HGx A 32 GLU H 1.0 1.80 4.18 1412 1202 A 35 ALA HB% A 32 GLU H 1.0 1.80 6.30 1413 1203 A 30 THR HG2% A 32 GLU H 1.0 1.80 7.11 1414 1204 A 45 VAL HGx% A 32 GLU H 1.0 1.80 7.11 1415 1205 A 49 PHE HDy A 49 PHE H 1.0 1.80 4.47 1416 1205 A 49 PHE HDx A 49 PHE H 1.0 1.80 4.47 1417 1206 A 48 TRP HE3 A 49 PHE H 1.0 1.80 4.49 1418 1207 A 46 ARG HA A 49 PHE H 1.0 1.80 4.28 1419 1208 A 58 LYS H A 59 ARG H 1.0 1.80 4.11 1420 1209 A 58 LYS H A 54 ALA HA 1.0 1.80 4.90 1421 1210 A 33 GLU HA A 36 VAL H 1.0 1.80 3.97 1422 1211 A 36 VAL HB A 36 VAL H 1.0 1.80 3.75 1423 1212 A 58 LYS HBy A 58 LYS H 1.0 1.80 3.93 1424 1212 A 58 LYS HBx A 58 LYS H 1.0 1.80 3.93 1425 1213 A 58 LYS H A 58 LYS HGy 1.0 1.80 4.49 1426 1214 A 35 ALA HB% A 36 VAL H 1.0 1.80 4.63 1427 1215 A 36 VAL HGy% A 36 VAL H 1.0 1.80 4.20 1428 1216 A 14 GLN H A 14 GLN HBx 1.0 1.80 4.17 1429 1217 A 54 ALA HA A 57 ARG H 1.0 1.80 4.31 1430 1218 A 56 TRP HBy A 57 ARG H 1.0 1.80 4.62 1431 1219 A 12 GLN H A 13 LEU H 1.0 1.80 4.29 1432 1220 A 10 SER HA A 13 LEU H 1.0 1.80 4.47 1433 1221 A 13 LEU HDx% A 13 LEU H 1.0 1.80 5.21 1434 1222 A 13 LEU HDy% A 13 LEU H 1.0 1.80 5.21 1435 1223 A 58 LYS HBy A 59 ARG H 1.0 1.80 4.23 1436 1223 A 58 LYS HBx A 59 ARG H 1.0 1.80 4.23 1437 1224 A 59 ARG HBx A 59 ARG H 1.0 1.80 4.27 1438 1225 A 59 ARG HGy A 59 ARG H 1.0 1.80 5.03 1439 1225 A 59 ARG HGx A 59 ARG H 1.0 1.80 5.03 1440 1226 A 44 ARG H A 41 THR HB 1.0 1.80 4.79 1441 1227 A 44 ARG HGy A 44 ARG H 1.0 1.80 3.86 1442 1228 A 44 ARG HGx A 44 ARG H 1.0 1.80 4.18 1443 1229 A 43 ALA HB% A 44 ARG H 1.0 1.80 4.60 1444 1230 A 35 ALA HB% A 44 ARG H 1.0 1.80 6.67 1445 1231 A 20 PHE H A 22 ARG H 1.0 1.80 4.90 1446 1232 A 19 THR HA A 22 ARG H 1.0 1.80 4.41 1447 1233 A 22 ARG HDy A 22 ARG H 1.0 1.80 5.21 1448 1233 A 22 ARG HDx A 22 ARG H 1.0 1.80 5.21 1449 1234 A 21 GLN HBy A 22 ARG H 1.0 1.80 4.72 1450 1235 A 25 TYR HDy A 25 TYR H 1.0 1.80 4.47 1451 1235 A 25 TYR HDx A 25 TYR H 1.0 1.80 4.47 1452 1236 A 23 ASN HA A 25 TYR H 1.0 1.80 4.20 1453 1237 A 25 TYR H A 24 ARG HBy 1.0 1.80 5.20 1454 1238 A 21 GLN HE2x A 21 GLN HA 1.0 1.80 4.84 1455 1239 A 19 THR H A 17 GLU HGy 1.0 1.80 5.50 1456 1240 A 19 THR H A 18 ALA HB% 1.0 1.80 4.27 1457 1241 A 9 THR H A 8 PHE HA 1.0 1.80 3.96 1458 1242 A 9 THR HG2% A 9 THR H 1.0 1.80 4.42 1459 1243 A 31 ARG H A 29 SER H 1.0 1.80 4.70 1460 1244 A 29 SER H A 27 ASP HA 1.0 1.80 5.15 1461 1245 A 29 SER HBy A 29 SER H 1.0 1.80 3.84 1462 1245 A 29 SER HBx A 29 SER H 1.0 1.80 3.84 1463 1246 A 29 SER H A 28 MET HBy 1.0 1.80 4.73 1464 1247 A 29 SER H A 28 MET HBx 1.0 1.80 4.73 1465 1248 A 20 PHE HDy A 21 GLN H 1.0 1.80 5.12 1466 1248 A 20 PHE HDx A 21 GLN H 1.0 1.80 5.12 1467 1249 A 18 ALA HA A 21 GLN H 1.0 1.80 4.40 1468 1250 A 21 GLN H A 21 GLN HGy 1.0 1.80 4.24 1469 1251 A 21 GLN HBy A 21 GLN H 1.0 1.80 4.17 1470 1252 A 21 GLN HBx A 21 GLN H 1.0 1.80 4.17 1471 1253 A 66 ASP H A 64 VAL HGx% 1.0 1.80 6.90 1472 1254 A 13 LEU HDy% A 14 GLN H 1.0 1.80 6.12 1473 1255 A 60 GLU H A 58 LYS H 1.0 1.80 4.55 1474 1256 A 23 ASN H A 21 GLN H 1.0 1.80 4.50 1475 1257 A 13 LEU HDy% A 48 TRP HE1 1.0 1.80 5.52 1476 1258 A 36 VAL HB A 37 TRP HE1 1.0 1.80 5.27 1477 1259 A 33 GLU HBx A 37 TRP HE1 1.0 1.80 4.72 1478 1260 A 39 ASN HD2y A 39 ASN HA 1.0 1.80 5.45 1479 1261 A 26 PRO HA A 23 ASN HD2y 1.0 1.80 4.48 1480 1262 A 23 ASN HBy A 23 ASN HD2x 1.0 1.80 4.28 1481 1262 A 23 ASN HBx A 23 ASN HD2x 1.0 1.80 4.28 1482 1263 A 23 ASN HBy A 23 ASN HD2y 1.0 1.80 4.28 1483 1263 A 23 ASN HBx A 23 ASN HD2y 1.0 1.80 4.28 1484 1264 A 30 THR HG2% A 23 ASN HD2x 1.0 1.80 5.57 1485 1265 A 21 GLN H A 21 GLN HGx 1.0 1.80 4.24 1486 1266 A 58 LYS H A 57 ARG H 1.0 1.80 3.96 1487 1267 A 31 ARG HA A 34 ILE H 1.0 1.80 4.69 1488 1268 A 42 GLU HA A 44 ARG H 1.0 1.80 5.42 1489 1269 A 44 ARG H A 44 ARG HDy 1.0 1.80 4.70 1490 1270 A 21 GLN HA A 21 GLN HE2y 1.0 1.80 5.63 1491 1271 A 48 TRP HH2 A 17 GLU H 1.0 1.80 4.83 1492 1272 A 18 ALA HB% A 17 GLU H 1.0 1.80 5.63 1493 1273 A 17 GLU HBy A 14 GLN HE2x 1.0 1.80 6.00 1494 1274 A 8 PHE HBx A 9 THR H 1.0 1.80 4.83 1495 1275 A 38 THR HG2% A 11 GLN HE2y 1.0 1.80 7.11 1496 1276 A 10 SER HBy A 11 GLN HE2y 1.0 1.80 6.66 1497 1276 A 10 SER HBx A 11 GLN HE2y 1.0 1.80 6.66 1498 1277 A 13 LEU HBy A 12 GLN H 1.0 1.80 5.98 1499 1278 A 9 THR HA A 12 GLN H 1.0 1.80 5.62 1500 1279 A 12 GLN H A 38 THR HB 1.0 1.80 5.41 1501 1280 A 13 LEU H A 12 GLN HGx 1.0 1.80 5.72 1502 1281 A 13 LEU H A 12 GLN HGy 1.0 1.80 5.72 1503 1282 A 13 LEU H A 10 SER H 1.0 1.80 6.00 1504 1283 A 38 THR HG2% A 14 GLN H 1.0 1.80 7.11 1505 1284 A 14 GLN H A 13 LEU HG 1.0 1.80 5.76 1506 1285 A 12 GLN HA A 14 GLN H 1.0 1.80 5.51 1507 1286 A 14 GLN HA A 14 GLN HE2x 1.0 1.80 5.15 1508 1287 A 15 GLU HA A 14 GLN HE2x 1.0 1.80 6.00 1509 1288 A 18 ALA HA A 14 GLN HE2x 1.0 1.80 6.00 1510 1289 A 15 GLU H A 18 ALA HB% 1.0 1.80 5.86 1511 1290 A 16 LEU HG A 17 GLU H 1.0 1.80 5.59 1512 1291 A 15 GLU HA A 17 GLU H 1.0 1.80 5.33 1513 1292 A 48 TRP HZ3 A 17 GLU H 1.0 1.80 5.77 1514 1293 A 48 TRP HZ2 A 17 GLU H 1.0 1.80 5.00 1515 1294 A 19 THR H A 34 ILE HD1% 1.0 1.80 6.56 1516 1295 A 19 THR H A 22 ARG HDy 1.0 1.80 6.67 1517 1295 A 19 THR H A 22 ARG HDx 1.0 1.80 6.67 1518 1296 A 16 LEU HA A 19 THR H 1.0 1.80 4.89 1519 1297 A 19 THR H A 49 PHE HEy 1.0 1.80 6.67 1520 1297 A 19 THR H A 49 PHE HEx 1.0 1.80 6.67 1521 1298 A 18 ALA HB% A 21 GLN H 1.0 1.80 6.30 1522 1299 A 21 GLN H A 17 GLU HBx 1.0 1.80 5.71 1523 1300 A 19 THR HB A 21 GLN H 1.0 1.80 6.00 1524 1301 A 48 TRP HH2 A 21 GLN H 1.0 1.80 6.00 1525 1302 A 19 THR HG2% A 22 ARG H 1.0 1.80 6.11 1526 1303 A 21 GLN HBx A 22 ARG H 1.0 1.80 4.72 1527 1304 A 22 ARG HGx A 22 ARG H 1.0 1.80 4.56 1528 1305 A 22 ARG HGy A 22 ARG H 1.0 1.80 4.56 1529 1306 A 23 ASN HA A 22 ARG H 1.0 1.80 5.63 1530 1307 A 25 TYR H A 26 PRO HGx 1.0 1.80 6.00 1531 1308 A 25 TYR H A 26 PRO HGy 1.0 1.80 6.00 1532 1309 A 25 TYR HEy A 25 TYR H 1.0 1.80 5.70 1533 1309 A 25 TYR HEx A 25 TYR H 1.0 1.80 5.70 1534 1310 A 30 THR HG2% A 29 SER H 1.0 1.80 7.11 1535 1311 A 31 ARG HGy A 32 GLU H 1.0 1.80 5.80 1536 1311 A 31 ARG HGx A 32 GLU H 1.0 1.80 5.80 1537 1312 A 32 GLU H A 29 SER H 1.0 1.80 5.99 1538 1313 A 34 ILE H A 32 GLU H 1.0 1.80 6.00 1539 1314 A 43 ALA H A 42 GLU HBy 1.0 1.80 4.59 1540 1315 A 33 GLU HA A 37 TRP HE1 1.0 1.80 5.21 1541 1316 A 34 ILE HA A 37 TRP HE1 1.0 1.80 5.87 1542 1317 A 37 TRP HBy A 37 TRP HE1 1.0 1.80 5.78 1543 1318 A 40 LEU HA A 39 ASN H 1.0 1.80 5.80 1544 1319 A 44 ARG HBy A 43 ALA H 1.0 1.80 5.99 1545 1320 A 45 VAL HA A 44 ARG H 1.0 1.80 5.99 1546 1321 A 41 THR H A 44 ARG H 1.0 1.80 4.96 1547 1322 A 13 LEU HG A 48 TRP HE1 1.0 1.80 5.70 1548 1323 A 13 LEU HA A 48 TRP HE1 1.0 1.80 4.97 1549 1324 A 51 ASN H A 49 PHE H 1.0 1.80 5.45 1550 1325 A 60 GLU HBy A 56 TRP HE1 1.0 1.80 6.67 1551 1325 A 60 GLU HBx A 56 TRP HE1 1.0 1.80 6.67 1552 1326 A 57 ARG H A 56 TRP HE1 1.0 1.80 6.00 1553 1327 A 57 ARG HA A 59 ARG H 1.0 1.80 5.22 1554 1328 A 59 ARG H A 57 ARG H 1.0 1.80 5.33 1555 1329 A 62 PHE H A 61 GLU H 1.0 1.80 4.27 1556 1330 A 52 ARG H A 52 ARG HE 1.0 1.80 5.18 1557 1331 A 48 TRP HZ2 A 52 ARG HE 1.0 1.80 4.35 1558 1332 A 48 TRP HH2 A 52 ARG HE 1.0 1.80 4.44 1559 1333 A 52 ARG HE A 52 ARG HGy 1.0 1.80 4.29 1560 1334 A 52 ARG HBx A 52 ARG HE 1.0 1.80 4.81 1561 1335 A 52 ARG HE A 52 ARG HGx 1.0 1.80 4.29 1562 1336 A 52 ARG HBy A 52 ARG HE 1.0 1.80 4.81 1563 1337 A 31 ARG HGy A 31 ARG HE 1.0 1.80 5.07 1564 1337 A 31 ARG HGx A 31 ARG HE 1.0 1.80 5.07 1565 1338 A 45 VAL HGx% A 31 ARG HE 1.0 1.80 6.06 1566 1339 A 53 ARG H A 53 ARG HE 1.0 1.80 6.00 1567 1340 A 56 TRP HD1 A 57 ARG H 1.0 1.80 5.62 1568 1341 A 24 ARG H A 24 ARG HE 1.0 1.80 6.00 1569 1342 A 43 ALA HB% A 44 ARG HE 1.0 1.80 7.09 1570 1343 A 31 ARG HBy A 31 ARG HE 1.0 1.80 4.13 1571 1344 A 31 ARG HBx A 31 ARG HE 1.0 1.80 4.13 1572 1345 A 42 GLU HA A 31 ARG HE 1.0 1.80 5.50 1573 1346 A 46 ARG HDy A 31 ARG HE 1.0 1.80 5.33 1574 1346 A 46 ARG HDx A 31 ARG HE 1.0 1.80 5.33 1575 1347 A 28 MET HA A 31 ARG HE 1.0 1.80 4.64 1576 1348 A 31 ARG H A 31 ARG HE 1.0 1.80 5.73 1577 1349 A 32 GLU H A 31 ARG HE 1.0 1.80 5.84 1578 1350 A 31 ARG HE A 46 ARG HE 1.0 1.80 4.99 1579 1351 A 51 ASN HBy A 52 ARG HE 1.0 1.80 5.78 1580 1352 A 52 ARG HA A 52 ARG HE 1.0 1.80 4.35 1581 1353 A 17 GLU HA A 52 ARG HE 1.0 1.80 5.94 1582 1354 A 48 TRP HZ3 A 52 ARG HE 1.0 1.80 5.42 1583 1355 A 48 TRP HE3 A 52 ARG HE 1.0 1.80 4.83 1584 1356 A 46 ARG HGx A 46 ARG HE 1.0 1.80 4.22 1585 1357 A 46 ARG HGy A 46 ARG HE 1.0 1.80 4.22 1586 1358 A 46 ARG HBx A 46 ARG HE 1.0 1.80 3.86 1587 1359 A 46 ARG HBy A 46 ARG HE 1.0 1.80 3.86 1588 1360 A 31 ARG HDx A 46 ARG HE 1.0 1.80 6.00 1589 1361 A 50 LYS HA A 53 ARG HE 1.0 1.80 4.82 1590 1362 A 54 ALA HB% A 53 ARG HE 1.0 1.80 6.67 1591 1363 A 3 ARG HGy A 3 ARG HE 1.0 1.80 4.97 1592 1363 A 3 ARG HGx A 3 ARG HE 1.0 1.80 4.97 1593 1364 A 53 ARG HBx A 53 ARG HE 1.0 1.80 4.59 1594 1365 A 44 ARG HGy A 44 ARG HE 1.0 1.80 4.26 1595 1366 A 50 LYS HZ% A 50 LYS HBx 1.0 1.80 5.59 1596 1367 A 24 ARG HBy A 24 ARG HE 1.0 1.80 4.65 1597 1368 A 24 ARG HBx A 24 ARG HE 1.0 1.80 4.65 1598 1369 A 24 ARG HA A 24 ARG HE 1.0 1.80 5.28 1599 1370 A 25 TYR HEy A 24 ARG HE 1.0 1.80 5.71 1600 1370 A 25 TYR HEx A 24 ARG HE 1.0 1.80 5.71 1601 1371 A 46 ARG HA A 31 ARG HE 1.0 1.80 5.01 1602 1372 A 57 ARG HA A 57 ARG HE 1.0 1.80 4.88 1603 1373 A 53 ARG HBy A 53 ARG HE 1.0 1.80 4.59 1604 1374 A 44 ARG HA A 44 ARG HE 1.0 1.80 4.95 1605 1375 A 46 ARG HA A 46 ARG HE 1.0 1.80 5.13 1606 1376 A 31 ARG HDy A 46 ARG HE 1.0 1.80 6.00 1607 1377 A 1 GLN HBx A 2 ARG H 1.0 1.80 5.46 1608 1377 A 1 GLN HBy A 2 ARG H 1.0 1.80 5.46 1609 1378 A 2 ARG HBy A 2 ARG HE 1.0 1.80 4.98 1610 1378 A 2 ARG HBx A 2 ARG HE 1.0 1.80 4.98 1611 1379 A 2 ARG HBy A 3 ARG H 1.0 1.80 3.89 1612 1379 A 3 ARG H A 2 ARG HBx 1.0 1.80 3.89 1613 1380 A 3 ARG HA A 4 GLN HE2y 1.0 1.80 6.30 1614 1380 A 3 ARG HA A 4 GLN HE2x 1.0 1.80 6.30 1615 1381 A 3 ARG HBx A 4 GLN H 1.0 1.80 4.70 1616 1381 A 3 ARG HBy A 4 GLN H 1.0 1.80 4.70 1617 1382 A 4 GLN HA A 4 GLN HE2y 1.0 1.80 6.49 1618 1382 A 4 GLN HA A 4 GLN HE2x 1.0 1.80 6.49 1619 1383 A 4 GLN HBy A 4 GLN HE2y 1.0 1.80 5.79 1620 1383 A 4 GLN HBy A 4 GLN HE2x 1.0 1.80 5.79 1621 1383 A 4 GLN HBx A 4 GLN HE2y 1.0 1.80 5.79 1622 1383 A 4 GLN HBx A 4 GLN HE2x 1.0 1.80 5.79 1623 1384 A 5 ARG H A 4 GLN HE2y 1.0 1.80 6.49 1624 1384 A 5 ARG H A 4 GLN HE2x 1.0 1.80 6.49 1625 1385 A 5 ARG H A 5 ARG HBx 1.0 1.80 4.20 1626 1385 A 5 ARG H A 5 ARG HBy 1.0 1.80 4.20 1627 1386 A 5 ARG HGy A 5 ARG H 1.0 1.80 4.88 1628 1386 A 5 ARG HGx A 5 ARG H 1.0 1.80 4.88 1629 1387 A 5 ARG HDy A 5 ARG H 1.0 1.80 5.36 1630 1387 A 5 ARG HDx A 5 ARG H 1.0 1.80 5.36 1631 1388 A 6 THR H A 5 ARG HBx 1.0 1.80 5.37 1632 1388 A 6 THR H A 5 ARG HBy 1.0 1.80 5.37 1633 1389 A 5 ARG HGy A 5 ARG HE 1.0 1.80 4.50 1634 1389 A 5 ARG HGx A 5 ARG HE 1.0 1.80 4.50 1635 1390 A 5 ARG HGy A 6 THR H 1.0 1.80 5.10 1636 1390 A 5 ARG HGx A 6 THR H 1.0 1.80 5.10 1637 1391 A 8 PHE HBy A 9 THR H 1.0 1.80 4.53 1638 1391 A 8 PHE HBx A 9 THR H 1.0 1.80 4.53 1639 1392 A 8 PHE HBy A 12 GLN H 1.0 1.80 6.35 1640 1392 A 8 PHE HBx A 12 GLN H 1.0 1.80 6.35 1641 1393 A 8 PHE HBy A 13 LEU H 1.0 1.80 5.48 1642 1393 A 8 PHE HBx A 13 LEU H 1.0 1.80 5.48 1643 1394 A 8 PHE HBy A 13 LEU CG 1.0 1.80 6.64 1644 1394 A 8 PHE HBx A 13 LEU CG 1.0 1.80 6.64 1645 1395 A 8 PHE HDy A 13 LEU CG 1.0 1.80 7.46 1646 1395 A 8 PHE HDx A 13 LEU CG 1.0 1.80 7.46 1647 1396 A 8 PHE HDy A 40 LEU CG 1.0 1.80 7.78 1648 1396 A 8 PHE HDx A 40 LEU CG 1.0 1.80 7.78 1649 1397 A 9 THR H A 12 GLN HBx 1.0 1.80 4.97 1650 1397 A 9 THR H A 12 GLN HBy 1.0 1.80 4.97 1651 1398 A 9 THR H A 12 GLN HGy 1.0 1.80 4.62 1652 1398 A 9 THR H A 12 GLN HGx 1.0 1.80 4.62 1653 1399 A 9 THR HG2% A 11 GLN HBx 1.0 1.80 7.12 1654 1399 A 9 THR HG2% A 11 GLN HBy 1.0 1.80 7.12 1655 1400 A 9 THR HG2% A 12 GLN HGy 1.0 1.80 5.99 1656 1400 A 9 THR HG2% A 12 GLN HGx 1.0 1.80 5.99 1657 1401 A 10 SER HA A 13 LEU CG 1.0 1.80 7.10 1658 1402 A 10 SER HBy A 11 GLN HBy 1.0 1.80 6.30 1659 1402 A 10 SER HBy A 11 GLN HBx 1.0 1.80 6.30 1660 1402 A 10 SER HBx A 11 GLN HBx 1.0 1.80 6.30 1661 1402 A 10 SER HBx A 11 GLN HBy 1.0 1.80 6.30 1662 1403 A 10 SER HBy A 13 LEU CG 1.0 1.80 7.56 1663 1403 A 10 SER HBx A 13 LEU CG 1.0 1.80 7.56 1664 1404 A 11 GLN H A 12 GLN HGy 1.0 1.80 5.15 1665 1404 A 11 GLN H A 12 GLN HGx 1.0 1.80 5.15 1666 1405 A 12 GLN H A 11 GLN HBx 1.0 1.80 4.35 1667 1405 A 12 GLN H A 11 GLN HBy 1.0 1.80 4.35 1668 1406 A 12 GLN H A 12 GLN HBx 1.0 1.80 4.29 1669 1406 A 12 GLN H A 12 GLN HBy 1.0 1.80 4.29 1670 1407 A 12 GLN H A 12 GLN HGy 1.0 1.80 3.86 1671 1407 A 12 GLN H A 12 GLN HGx 1.0 1.80 3.86 1672 1408 A 12 GLN H A 13 LEU CG 1.0 1.80 8.14 1673 1409 A 15 GLU HBx A 12 GLN HA 1.0 1.80 4.97 1674 1409 A 15 GLU HBy A 12 GLN HA 1.0 1.80 4.97 1675 1410 A 12 GLN HE2y A 12 GLN HBx 1.0 1.80 5.80 1676 1410 A 12 GLN HE2x A 12 GLN HBx 1.0 1.80 5.80 1677 1410 A 12 GLN HE2y A 12 GLN HBy 1.0 1.80 5.80 1678 1410 A 12 GLN HE2x A 12 GLN HBy 1.0 1.80 5.80 1679 1411 A 13 LEU H A 12 GLN HBx 1.0 1.80 5.48 1680 1411 A 13 LEU H A 12 GLN HBy 1.0 1.80 5.48 1681 1412 A 12 GLN HBx A 16 LEU CG 1.0 1.80 8.10 1682 1412 A 12 GLN HBy A 16 LEU CG 1.0 1.80 8.10 1683 1413 A 38 THR HB A 12 GLN HBx 1.0 1.80 5.64 1684 1413 A 38 THR HB A 12 GLN HBy 1.0 1.80 5.64 1685 1414 A 38 THR HG2% A 12 GLN HBy 1.0 1.80 6.20 1686 1414 A 38 THR HG2% A 12 GLN HBx 1.0 1.80 6.20 1687 1415 A 40 LEU H A 12 GLN HBx 1.0 1.80 6.51 1688 1415 A 40 LEU H A 12 GLN HBy 1.0 1.80 6.51 1689 1416 A 12 GLN HGy A 12 GLN HE2x 1.0 1.80 4.59 1690 1416 A 12 GLN HGy A 12 GLN HE2y 1.0 1.80 4.59 1691 1416 A 12 GLN HGx A 12 GLN HE2y 1.0 1.80 4.59 1692 1416 A 12 GLN HGx A 12 GLN HE2x 1.0 1.80 4.59 1693 1417 A 13 LEU H A 12 GLN HGy 1.0 1.80 5.62 1694 1417 A 13 LEU H A 12 GLN HGx 1.0 1.80 5.62 1695 1418 A 12 GLN HGy A 38 THR HB 1.0 1.80 6.11 1696 1418 A 12 GLN HGx A 38 THR HB 1.0 1.80 6.11 1697 1419 A 38 THR HG2% A 12 GLN HGx 1.0 1.80 6.78 1698 1419 A 38 THR HG2% A 12 GLN HGy 1.0 1.80 6.78 1699 1420 A 12 GLN HE2y A 38 THR HB 1.0 1.80 6.10 1700 1420 A 12 GLN HE2x A 38 THR HB 1.0 1.80 6.10 1701 1421 A 39 ASN HBx A 12 GLN HE2y 1.0 1.80 6.33 1702 1421 A 39 ASN HBx A 12 GLN HE2x 1.0 1.80 6.33 1703 1422 A 40 LEU HG A 12 GLN HE2y 1.0 1.80 4.70 1704 1422 A 40 LEU HG A 12 GLN HE2x 1.0 1.80 4.70 1705 1423 A 12 GLN HE2y A 40 LEU CG 1.0 1.80 6.48 1706 1423 A 12 GLN HE2x A 40 LEU CG 1.0 1.80 6.48 1707 1424 A 13 LEU H A 13 LEU CG 1.0 1.80 6.12 1708 1425 A 14 GLN HGx A 13 LEU H 1.0 1.80 6.42 1709 1425 A 14 GLN HGy A 13 LEU H 1.0 1.80 6.42 1710 1426 A 13 LEU H A 16 LEU CG 1.0 1.80 7.59 1711 1427 A 13 LEU HA A 13 LEU CG 1.0 1.80 6.00 1712 1428 A 13 LEU HA A 16 LEU HBx 1.0 1.80 4.35 1713 1428 A 13 LEU HA A 16 LEU HBy 1.0 1.80 4.35 1714 1429 A 13 LEU HA A 16 LEU CG 1.0 1.80 6.43 1715 1430 A 13 LEU HBx A 16 LEU CG 1.0 1.80 7.69 1716 1431 A 13 LEU HG A 16 LEU CG 1.0 1.80 7.96 1717 1432 A 14 GLN H A 13 LEU CG 1.0 1.80 6.68 1718 1433 A 16 LEU H A 13 LEU CG 1.0 1.80 7.38 1719 1434 A 13 LEU CG A 16 LEU CG 1.0 1.80 8.57 1720 1435 A 17 GLU H A 13 LEU CG 1.0 1.80 8.14 1721 1436 A 48 TRP HD1 A 13 LEU CG 1.0 1.80 7.49 1722 1437 A 48 TRP HE1 A 13 LEU CG 1.0 1.80 5.86 1723 1438 A 48 TRP HZ2 A 13 LEU CG 1.0 1.80 7.70 1724 1439 A 14 GLN H A 14 GLN HBx 1.0 1.80 3.81 1725 1439 A 14 GLN H A 14 GLN HBy 1.0 1.80 3.81 1726 1440 A 14 GLN H A 14 GLN HGx 1.0 1.80 4.39 1727 1440 A 14 GLN H A 14 GLN HGy 1.0 1.80 4.39 1728 1441 A 15 GLU HBx A 14 GLN H 1.0 1.80 5.72 1729 1441 A 15 GLU HBy A 14 GLN H 1.0 1.80 5.72 1730 1442 A 14 GLN HGx A 14 GLN HA 1.0 1.80 4.47 1731 1442 A 14 GLN HGy A 14 GLN HA 1.0 1.80 4.47 1732 1443 A 14 GLN HA A 17 GLU HGy 1.0 1.80 4.82 1733 1443 A 14 GLN HA A 17 GLU HGx 1.0 1.80 4.82 1734 1444 A 14 GLN HBx A 14 GLN HE2y 1.0 1.80 5.75 1735 1444 A 14 GLN HBy A 14 GLN HE2y 1.0 1.80 5.75 1736 1445 A 15 GLU H A 14 GLN HBx 1.0 1.80 4.44 1737 1445 A 15 GLU H A 14 GLN HBy 1.0 1.80 4.44 1738 1446 A 16 LEU H A 14 GLN HBx 1.0 1.80 6.51 1739 1446 A 16 LEU H A 14 GLN HBy 1.0 1.80 6.51 1740 1447 A 15 GLU H A 14 GLN HGx 1.0 1.80 6.10 1741 1447 A 15 GLU H A 14 GLN HGy 1.0 1.80 6.10 1742 1448 A 17 GLU HGy A 14 GLN HE2x 1.0 1.80 6.04 1743 1448 A 17 GLU HGx A 14 GLN HE2x 1.0 1.80 6.04 1744 1449 A 17 GLU HGy A 14 GLN HE2y 1.0 1.80 5.93 1745 1449 A 17 GLU HGx A 14 GLN HE2y 1.0 1.80 5.93 1746 1450 A 15 GLU HBx A 15 GLU H 1.0 1.80 4.27 1747 1450 A 15 GLU H A 15 GLU HBy 1.0 1.80 4.27 1748 1451 A 15 GLU H A 15 GLU HGx 1.0 1.80 4.26 1749 1451 A 15 GLU H A 15 GLU HGy 1.0 1.80 4.26 1750 1452 A 15 GLU H A 16 LEU HBx 1.0 1.80 6.51 1751 1452 A 15 GLU H A 16 LEU HBy 1.0 1.80 6.51 1752 1453 A 15 GLU H A 17 GLU HGy 1.0 1.80 6.51 1753 1453 A 15 GLU H A 17 GLU HGx 1.0 1.80 6.51 1754 1454 A 15 GLU HBx A 16 LEU H 1.0 1.80 4.87 1755 1454 A 16 LEU H A 15 GLU HBy 1.0 1.80 4.87 1756 1455 A 38 THR HG2% A 15 GLU HBy 1.0 1.80 5.14 1757 1455 A 15 GLU HBx A 38 THR HG2% 1.0 1.80 5.14 1758 1456 A 15 GLU HGx A 16 LEU H 1.0 1.80 5.80 1759 1456 A 16 LEU H A 15 GLU HGy 1.0 1.80 5.80 1760 1457 A 34 ILE HG2% A 15 GLU HGy 1.0 1.80 6.46 1761 1457 A 15 GLU HGx A 34 ILE HG2% 1.0 1.80 6.46 1762 1458 A 38 THR HG2% A 15 GLU HGy 1.0 1.80 5.12 1763 1458 A 38 THR HG2% A 15 GLU HGx 1.0 1.80 5.12 1764 1459 A 16 LEU H A 16 LEU HBx 1.0 1.80 3.96 1765 1459 A 16 LEU H A 16 LEU HBy 1.0 1.80 3.96 1766 1460 A 16 LEU H A 16 LEU CG 1.0 1.80 6.13 1767 1461 A 16 LEU H A 17 GLU HGy 1.0 1.80 6.51 1768 1461 A 16 LEU H A 17 GLU HGx 1.0 1.80 6.51 1769 1462 A 16 LEU HA A 16 LEU CG 1.0 1.80 5.91 1770 1463 A 17 GLU H A 16 LEU HBx 1.0 1.80 4.18 1771 1463 A 17 GLU H A 16 LEU HBy 1.0 1.80 4.18 1772 1464 A 16 LEU HBx A 48 TRP HE1 1.0 1.80 5.83 1773 1464 A 16 LEU HBy A 48 TRP HE1 1.0 1.80 5.83 1774 1465 A 17 GLU H A 16 LEU CG 1.0 1.80 7.27 1775 1466 A 19 THR HG2% A 16 LEU CG 1.0 1.80 8.43 1776 1467 A 34 ILE HG2% A 16 LEU CG 1.0 1.80 6.59 1777 1468 A 34 ILE HD1% A 16 LEU CG 1.0 1.80 7.55 1778 1469 A 38 THR HG2% A 16 LEU CG 1.0 1.80 8.28 1779 1470 A 40 LEU HBy A 16 LEU CG 1.0 1.80 8.14 1780 1471 A 40 LEU CG A 16 LEU CG 1.0 1.80 8.49 1781 1472 A 45 VAL HA A 16 LEU CG 1.0 1.80 7.12 1782 1473 A 45 VAL HGx% A 16 LEU CG 1.0 1.80 6.46 1783 1474 A 45 VAL HGy% A 16 LEU CG 1.0 1.80 7.19 1784 1475 A 16 LEU CG A 48 TRP HBx 1.0 1.80 7.59 1785 1475 A 16 LEU CG A 48 TRP HBy 1.0 1.80 7.59 1786 1476 A 48 TRP HE1 A 16 LEU CG 1.0 1.80 6.66 1787 1477 A 49 PHE HEy A 16 LEU CG 1.0 1.80 7.14 1788 1477 A 49 PHE HEx A 16 LEU CG 1.0 1.80 7.14 1789 1478 A 20 PHE HBx A 17 GLU H 1.0 1.80 5.87 1790 1478 A 17 GLU H A 20 PHE HBy 1.0 1.80 5.87 1791 1479 A 17 GLU HA A 20 PHE HBx 1.0 1.80 5.21 1792 1479 A 17 GLU HA A 20 PHE HBy 1.0 1.80 5.21 1793 1480 A 18 ALA H A 17 GLU HGy 1.0 1.80 4.83 1794 1480 A 18 ALA H A 17 GLU HGx 1.0 1.80 4.83 1795 1481 A 19 THR H A 17 GLU HGy 1.0 1.80 5.34 1796 1481 A 19 THR H A 17 GLU HGx 1.0 1.80 5.34 1797 1482 A 18 ALA HA A 21 GLN HBx 1.0 1.80 4.89 1798 1482 A 18 ALA HA A 21 GLN HBy 1.0 1.80 4.89 1799 1483 A 18 ALA HA A 21 GLN HGx 1.0 1.80 5.28 1800 1483 A 18 ALA HA A 21 GLN HGy 1.0 1.80 5.28 1801 1484 A 19 THR H A 20 PHE HBx 1.0 1.80 5.34 1802 1484 A 19 THR H A 20 PHE HBy 1.0 1.80 5.34 1803 1485 A 34 ILE HG1y A 19 THR H 1.0 1.80 6.51 1804 1485 A 34 ILE HG1x A 19 THR H 1.0 1.80 6.51 1805 1486 A 22 ARG HGx A 19 THR HA 1.0 1.80 5.25 1806 1486 A 22 ARG HGy A 19 THR HA 1.0 1.80 5.25 1807 1487 A 19 THR HG2% A 23 ASN HD2x 1.0 1.80 6.80 1808 1487 A 19 THR HG2% A 23 ASN HD2y 1.0 1.80 6.80 1809 1488 A 34 ILE HG1x A 19 THR HG2% 1.0 1.80 6.55 1810 1488 A 34 ILE HG1y A 19 THR HG2% 1.0 1.80 6.55 1811 1489 A 20 PHE HBx A 21 GLN H 1.0 1.80 4.41 1812 1489 A 21 GLN H A 20 PHE HBy 1.0 1.80 4.41 1813 1490 A 21 GLN HBx A 21 GLN H 1.0 1.80 4.08 1814 1490 A 21 GLN HBy A 21 GLN H 1.0 1.80 4.08 1815 1491 A 21 GLN H A 21 GLN HGx 1.0 1.80 4.16 1816 1491 A 21 GLN H A 21 GLN HGy 1.0 1.80 4.16 1817 1492 A 21 GLN HA A 21 GLN HGx 1.0 1.80 4.70 1818 1492 A 21 GLN HA A 21 GLN HGy 1.0 1.80 4.70 1819 1493 A 21 GLN HBx A 21 GLN HE2x 1.0 1.80 4.70 1820 1493 A 21 GLN HBy A 21 GLN HE2x 1.0 1.80 4.70 1821 1494 A 21 GLN HBx A 21 GLN HE2y 1.0 1.80 5.69 1822 1494 A 21 GLN HBy A 21 GLN HE2y 1.0 1.80 5.69 1823 1495 A 21 GLN HBx A 22 ARG H 1.0 1.80 4.63 1824 1495 A 21 GLN HBy A 22 ARG H 1.0 1.80 4.63 1825 1496 A 21 GLN HE2x A 21 GLN HGx 1.0 1.80 4.02 1826 1496 A 21 GLN HE2x A 21 GLN HGy 1.0 1.80 4.02 1827 1497 A 21 GLN HGx A 21 GLN HE2y 1.0 1.80 4.59 1828 1497 A 21 GLN HGy A 21 GLN HE2y 1.0 1.80 4.59 1829 1498 A 22 ARG H A 21 GLN HGx 1.0 1.80 5.61 1830 1498 A 22 ARG H A 21 GLN HGy 1.0 1.80 5.61 1831 1499 A 22 ARG HGx A 22 ARG H 1.0 1.80 4.45 1832 1499 A 22 ARG HGy A 22 ARG H 1.0 1.80 4.45 1833 1500 A 22 ARG HA A 22 ARG HGx 1.0 1.80 4.31 1834 1500 A 22 ARG HA A 22 ARG HGy 1.0 1.80 4.31 1835 1501 A 22 ARG HGx A 23 ASN H 1.0 1.80 4.65 1836 1501 A 22 ARG HGy A 23 ASN H 1.0 1.80 4.65 1837 1502 A 23 ASN H A 23 ASN HD2y 1.0 1.80 6.49 1838 1502 A 23 ASN H A 23 ASN HD2x 1.0 1.80 6.49 1839 1503 A 23 ASN H A 24 ARG HGx 1.0 1.80 6.04 1840 1503 A 23 ASN H A 24 ARG HGy 1.0 1.80 6.04 1841 1504 A 23 ASN HA A 23 ASN HD2y 1.0 1.80 5.52 1842 1504 A 23 ASN HA A 23 ASN HD2x 1.0 1.80 5.52 1843 1505 A 23 ASN HA A 24 ARG HGx 1.0 1.80 4.88 1844 1505 A 23 ASN HA A 24 ARG HGy 1.0 1.80 4.88 1845 1506 A 23 ASN HBy A 23 ASN HD2y 1.0 1.80 4.20 1846 1506 A 23 ASN HBy A 23 ASN HD2x 1.0 1.80 4.20 1847 1506 A 23 ASN HBx A 23 ASN HD2y 1.0 1.80 4.20 1848 1506 A 23 ASN HBx A 23 ASN HD2x 1.0 1.80 4.20 1849 1507 A 25 TYR H A 23 ASN HD2y 1.0 1.80 6.40 1850 1507 A 25 TYR H A 23 ASN HD2x 1.0 1.80 6.40 1851 1508 A 26 PRO HA A 23 ASN HD2y 1.0 1.80 4.29 1852 1508 A 26 PRO HA A 23 ASN HD2x 1.0 1.80 4.29 1853 1509 A 26 PRO HBx A 23 ASN HD2y 1.0 1.80 5.82 1854 1509 A 26 PRO HBx A 23 ASN HD2x 1.0 1.80 5.82 1855 1510 A 27 ASP H A 23 ASN HD2y 1.0 1.80 5.05 1856 1510 A 27 ASP H A 23 ASN HD2x 1.0 1.80 5.05 1857 1511 A 30 THR HG2% A 23 ASN HD2y 1.0 1.80 5.43 1858 1511 A 30 THR HG2% A 23 ASN HD2x 1.0 1.80 5.43 1859 1512 A 24 ARG H A 24 ARG HBx 1.0 1.80 4.32 1860 1512 A 24 ARG H A 24 ARG HBy 1.0 1.80 4.32 1861 1513 A 24 ARG H A 24 ARG HGx 1.0 1.80 4.07 1862 1513 A 24 ARG H A 24 ARG HGy 1.0 1.80 4.07 1863 1514 A 24 ARG H A 24 ARG HDx 1.0 1.80 4.93 1864 1514 A 24 ARG H A 24 ARG HDy 1.0 1.80 4.93 1865 1515 A 24 ARG HA A 24 ARG HGx 1.0 1.80 4.71 1866 1515 A 24 ARG HA A 24 ARG HGy 1.0 1.80 4.71 1867 1516 A 25 TYR H A 24 ARG HBx 1.0 1.80 4.93 1868 1516 A 25 TYR H A 24 ARG HBy 1.0 1.80 4.93 1869 1517 A 24 ARG HGx A 25 TYR H 1.0 1.80 5.08 1870 1517 A 24 ARG HGy A 25 TYR H 1.0 1.80 5.08 1871 1518 A 25 TYR H A 25 TYR HBy 1.0 1.80 4.41 1872 1518 A 25 TYR H A 25 TYR HBx 1.0 1.80 4.41 1873 1519 A 25 TYR H A 26 PRO HGx 1.0 1.80 5.88 1874 1519 A 25 TYR H A 26 PRO HGy 1.0 1.80 5.88 1875 1520 A 25 TYR H A 26 PRO HDy 1.0 1.80 4.06 1876 1520 A 25 TYR H A 26 PRO HDx 1.0 1.80 4.06 1877 1521 A 26 PRO HA A 27 ASP HBx 1.0 1.80 5.32 1878 1521 A 26 PRO HA A 27 ASP HBy 1.0 1.80 5.32 1879 1522 A 26 PRO HGx A 31 ARG HE 1.0 1.80 6.51 1880 1522 A 26 PRO HGy A 31 ARG HE 1.0 1.80 6.51 1881 1523 A 27 ASP H A 27 ASP HBx 1.0 1.80 4.18 1882 1523 A 27 ASP H A 27 ASP HBy 1.0 1.80 4.18 1883 1524 A 27 ASP HBx A 28 MET H 1.0 1.80 4.11 1884 1524 A 27 ASP HBy A 28 MET H 1.0 1.80 4.11 1885 1525 A 28 MET HA A 31 ARG HBx 1.0 1.80 4.93 1886 1525 A 28 MET HA A 31 ARG HBy 1.0 1.80 4.93 1887 1526 A 46 ARG HGx A 28 MET HA 1.0 1.80 6.51 1888 1526 A 46 ARG HGy A 28 MET HA 1.0 1.80 6.51 1889 1527 A 29 SER H A 28 MET HBx 1.0 1.80 4.63 1890 1527 A 29 SER H A 28 MET HBy 1.0 1.80 4.63 1891 1528 A 32 GLU HBx A 29 SER HA 1.0 1.80 5.49 1892 1528 A 32 GLU HBy A 29 SER HA 1.0 1.80 5.49 1893 1529 A 32 GLU HGx A 29 SER HA 1.0 1.80 5.83 1894 1529 A 32 GLU HGy A 29 SER HA 1.0 1.80 5.83 1895 1530 A 33 GLU HGx A 29 SER HA 1.0 1.80 5.83 1896 1530 A 33 GLU HGy A 29 SER HA 1.0 1.80 5.83 1897 1531 A 31 ARG H A 31 ARG HBx 1.0 1.80 4.02 1898 1531 A 31 ARG H A 31 ARG HBy 1.0 1.80 4.02 1899 1532 A 31 ARG H A 31 ARG HDx 1.0 1.80 5.72 1900 1532 A 31 ARG H A 31 ARG HDy 1.0 1.80 5.72 1901 1533 A 31 ARG HBx A 31 ARG HE 1.0 1.80 3.88 1902 1533 A 31 ARG HBy A 31 ARG HE 1.0 1.80 3.88 1903 1534 A 32 GLU H A 31 ARG HBx 1.0 1.80 4.82 1904 1534 A 32 GLU H A 31 ARG HBy 1.0 1.80 4.82 1905 1535 A 35 ALA H A 31 ARG HBx 1.0 1.80 6.51 1906 1535 A 35 ALA H A 31 ARG HBy 1.0 1.80 6.51 1907 1536 A 42 GLU HA A 31 ARG HBx 1.0 1.80 5.42 1908 1536 A 42 GLU HA A 31 ARG HBy 1.0 1.80 5.42 1909 1537 A 42 GLU HGx A 31 ARG HBx 1.0 1.80 5.11 1910 1537 A 42 GLU HGy A 31 ARG HBx 1.0 1.80 5.11 1911 1537 A 42 GLU HGx A 31 ARG HBy 1.0 1.80 5.11 1912 1537 A 42 GLU HGy A 31 ARG HBy 1.0 1.80 5.11 1913 1538 A 45 VAL HGx% A 31 ARG HBy 1.0 1.80 6.63 1914 1538 A 45 VAL HGx% A 31 ARG HBx 1.0 1.80 6.63 1915 1539 A 45 VAL HGx% A 31 ARG HDy 1.0 1.80 6.39 1916 1539 A 45 VAL HGx% A 31 ARG HDx 1.0 1.80 6.39 1917 1540 A 46 ARG H A 31 ARG HDx 1.0 1.80 5.26 1918 1540 A 46 ARG H A 31 ARG HDy 1.0 1.80 5.26 1919 1541 A 46 ARG HA A 31 ARG HDx 1.0 1.80 4.88 1920 1541 A 46 ARG HA A 31 ARG HDy 1.0 1.80 4.88 1921 1542 A 31 ARG HDx A 46 ARG HE 1.0 1.80 5.92 1922 1542 A 31 ARG HDy A 46 ARG HE 1.0 1.80 5.92 1923 1543 A 42 GLU HGx A 31 ARG HE 1.0 1.80 4.90 1924 1543 A 42 GLU HGy A 31 ARG HE 1.0 1.80 4.90 1925 1544 A 46 ARG HBx A 31 ARG HE 1.0 1.80 5.11 1926 1544 A 46 ARG HBy A 31 ARG HE 1.0 1.80 5.11 1927 1545 A 46 ARG HGx A 31 ARG HE 1.0 1.80 4.29 1928 1545 A 46 ARG HGy A 31 ARG HE 1.0 1.80 4.29 1929 1546 A 32 GLU H A 32 GLU HBx 1.0 1.80 3.80 1930 1546 A 32 GLU H A 32 GLU HBy 1.0 1.80 3.80 1931 1547 A 32 GLU HGx A 32 GLU H 1.0 1.80 3.98 1932 1547 A 32 GLU HGy A 32 GLU H 1.0 1.80 3.98 1933 1548 A 33 GLU H A 32 GLU HBx 1.0 1.80 5.21 1934 1548 A 33 GLU H A 32 GLU HBy 1.0 1.80 5.21 1935 1549 A 36 VAL HGy% A 32 GLU HBy 1.0 1.80 7.51 1936 1549 A 36 VAL HGy% A 32 GLU HBx 1.0 1.80 7.51 1937 1550 A 33 GLU H A 32 GLU HGx 1.0 1.80 5.27 1938 1550 A 33 GLU H A 32 GLU HGy 1.0 1.80 5.27 1939 1551 A 33 GLU HA A 32 GLU HGx 1.0 1.80 5.11 1940 1551 A 33 GLU HA A 32 GLU HGy 1.0 1.80 5.11 1941 1552 A 33 GLU HGx A 32 GLU HGx 1.0 1.80 4.56 1942 1552 A 33 GLU HGy A 32 GLU HGx 1.0 1.80 4.56 1943 1552 A 33 GLU HGx A 32 GLU HGy 1.0 1.80 4.56 1944 1552 A 33 GLU HGy A 32 GLU HGy 1.0 1.80 4.56 1945 1553 A 33 GLU H A 33 GLU HGx 1.0 1.80 4.00 1946 1553 A 33 GLU H A 33 GLU HGy 1.0 1.80 4.00 1947 1554 A 34 ILE HG1y A 33 GLU H 1.0 1.80 6.51 1948 1554 A 34 ILE HG1x A 33 GLU H 1.0 1.80 6.51 1949 1555 A 33 GLU HA A 33 GLU HGx 1.0 1.80 4.29 1950 1555 A 33 GLU HA A 33 GLU HGy 1.0 1.80 4.29 1951 1556 A 34 ILE H A 33 GLU HGx 1.0 1.80 6.51 1952 1556 A 34 ILE H A 33 GLU HGy 1.0 1.80 6.51 1953 1557 A 36 VAL HGy% A 33 GLU HGx 1.0 1.80 7.71 1954 1557 A 36 VAL HGy% A 33 GLU HGy 1.0 1.80 7.71 1955 1558 A 33 GLU HGx A 37 TRP HE1 1.0 1.80 5.28 1956 1558 A 33 GLU HGy A 37 TRP HE1 1.0 1.80 5.28 1957 1559 A 34 ILE HG1y A 34 ILE H 1.0 1.80 4.20 1958 1559 A 34 ILE HG1x A 34 ILE H 1.0 1.80 4.20 1959 1560 A 34 ILE HA A 34 ILE HG1y 1.0 1.80 4.28 1960 1560 A 34 ILE HA A 34 ILE HG1x 1.0 1.80 4.28 1961 1561 A 34 ILE HG1x A 34 ILE HG2% 1.0 1.80 4.58 1962 1561 A 34 ILE HG1y A 34 ILE HG2% 1.0 1.80 4.58 1963 1562 A 34 ILE HG1y A 37 TRP HE1 1.0 1.80 5.60 1964 1562 A 34 ILE HG1x A 37 TRP HE1 1.0 1.80 5.60 1965 1563 A 35 ALA HA A 40 LEU CG 1.0 1.80 7.40 1966 1564 A 35 ALA HB% A 40 LEU CG 1.0 1.80 7.92 1967 1565 A 35 ALA HB% A 42 GLU HBy 1.0 1.80 6.94 1968 1565 A 35 ALA HB% A 42 GLU HBx 1.0 1.80 6.94 1969 1566 A 38 THR H A 40 LEU CG 1.0 1.80 7.07 1970 1567 A 38 THR HB A 40 LEU CG 1.0 1.80 6.96 1971 1568 A 39 ASN H A 40 LEU CG 1.0 1.80 7.20 1972 1569 A 39 ASN HD2y A 39 ASN HA 1.0 1.80 5.32 1973 1569 A 39 ASN HA A 39 ASN HD2x 1.0 1.80 5.32 1974 1570 A 39 ASN HD2y A 39 ASN HBx 1.0 1.80 4.52 1975 1570 A 39 ASN HBx A 39 ASN HD2x 1.0 1.80 4.52 1976 1571 A 40 LEU H A 40 LEU CG 1.0 1.80 5.93 1977 1572 A 40 LEU HA A 40 LEU CG 1.0 1.80 6.12 1978 1573 A 41 THR H A 40 LEU CG 1.0 1.80 6.36 1979 1574 A 44 ARG HBx A 40 LEU CG 1.0 1.80 7.17 1980 1575 A 45 VAL H A 40 LEU CG 1.0 1.80 7.44 1981 1576 A 45 VAL HGy% A 40 LEU CG 1.0 1.80 6.71 1982 1577 A 41 THR H A 44 ARG HDx 1.0 1.80 5.83 1983 1577 A 41 THR H A 44 ARG HDy 1.0 1.80 5.83 1984 1578 A 41 THR HA A 42 GLU HBx 1.0 1.80 6.35 1985 1578 A 41 THR HA A 42 GLU HBy 1.0 1.80 6.35 1986 1579 A 42 GLU H A 42 GLU HBx 1.0 1.80 4.11 1987 1579 A 42 GLU H A 42 GLU HBy 1.0 1.80 4.11 1988 1580 A 42 GLU HA A 42 GLU HGx 1.0 1.80 4.51 1989 1580 A 42 GLU HA A 42 GLU HGy 1.0 1.80 4.51 1990 1581 A 43 ALA H A 42 GLU HBx 1.0 1.80 4.27 1991 1581 A 43 ALA H A 42 GLU HBy 1.0 1.80 4.27 1992 1582 A 42 GLU HGx A 43 ALA H 1.0 1.80 4.71 1993 1582 A 42 GLU HGy A 43 ALA H 1.0 1.80 4.71 1994 1583 A 42 GLU HGx A 43 ALA HA 1.0 1.80 5.33 1995 1583 A 42 GLU HGy A 43 ALA HA 1.0 1.80 5.33 1996 1584 A 43 ALA H A 46 ARG HBx 1.0 1.80 6.51 1997 1584 A 43 ALA H A 46 ARG HBy 1.0 1.80 6.51 1998 1585 A 43 ALA HA A 46 ARG HBx 1.0 1.80 5.52 1999 1585 A 43 ALA HA A 46 ARG HBy 1.0 1.80 5.52 2000 1586 A 43 ALA HA A 47 VAL CB 1.0 1.80 7.06 2001 1587 A 44 ARG H A 44 ARG HDx 1.0 1.80 4.61 2002 1587 A 44 ARG H A 44 ARG HDy 1.0 1.80 4.61 2003 1588 A 44 ARG HA A 44 ARG HDx 1.0 1.80 5.05 2004 1588 A 44 ARG HA A 44 ARG HDy 1.0 1.80 5.05 2005 1589 A 44 ARG HA A 47 VAL CB 1.0 1.80 7.21 2006 1590 A 44 ARG HBy A 44 ARG HDx 1.0 1.80 4.68 2007 1590 A 44 ARG HBy A 44 ARG HDy 1.0 1.80 4.68 2008 1591 A 44 ARG HBx A 47 VAL CB 1.0 1.80 7.58 2009 1592 A 45 VAL H A 44 ARG HDx 1.0 1.80 6.06 2010 1592 A 45 VAL H A 44 ARG HDy 1.0 1.80 6.06 2011 1593 A 44 ARG HDx A 47 VAL CB 1.0 1.80 7.29 2012 1593 A 44 ARG HDy A 47 VAL CB 1.0 1.80 7.29 2013 1594 A 45 VAL HA A 48 TRP HBx 1.0 1.80 5.66 2014 1594 A 45 VAL HA A 48 TRP HBy 1.0 1.80 5.66 2015 1595 A 46 ARG HGx A 45 VAL HGx% 1.0 1.80 6.97 2016 1595 A 46 ARG HGy A 45 VAL HGx% 1.0 1.80 6.97 2017 1596 A 46 ARG HGx A 46 ARG H 1.0 1.80 4.79 2018 1596 A 46 ARG HGy A 46 ARG H 1.0 1.80 4.79 2019 1597 A 46 ARG HGx A 46 ARG HA 1.0 1.80 4.28 2020 1597 A 46 ARG HGy A 46 ARG HA 1.0 1.80 4.28 2021 1598 A 46 ARG HBx A 46 ARG HE 1.0 1.80 3.78 2022 1598 A 46 ARG HBy A 46 ARG HE 1.0 1.80 3.78 2023 1599 A 47 VAL H A 46 ARG HBx 1.0 1.80 4.57 2024 1599 A 47 VAL H A 46 ARG HBy 1.0 1.80 4.57 2025 1600 A 46 ARG HBx A 47 VAL CB 1.0 1.80 8.33 2026 1600 A 46 ARG HBy A 47 VAL CB 1.0 1.80 8.33 2027 1601 A 48 TRP H A 46 ARG HBx 1.0 1.80 6.19 2028 1601 A 48 TRP H A 46 ARG HBy 1.0 1.80 6.19 2029 1602 A 46 ARG HGx A 46 ARG HE 1.0 1.80 4.14 2030 1602 A 46 ARG HGy A 46 ARG HE 1.0 1.80 4.14 2031 1603 A 46 ARG HGx A 47 VAL H 1.0 1.80 6.38 2032 1603 A 46 ARG HGy A 47 VAL H 1.0 1.80 6.38 2033 1604 A 46 ARG HDy A 47 VAL CB 1.0 1.80 8.81 2034 1604 A 46 ARG HDx A 47 VAL CB 1.0 1.80 8.81 2035 1605 A 47 VAL H A 47 VAL CB 1.0 1.80 5.82 2036 1606 A 50 LYS HGx A 47 VAL H 1.0 1.80 6.51 2037 1606 A 50 LYS HGy A 47 VAL H 1.0 1.80 6.51 2038 1607 A 50 LYS HDx A 47 VAL H 1.0 1.80 6.51 2039 1607 A 50 LYS HDy A 47 VAL H 1.0 1.80 6.51 2040 1608 A 50 LYS HGx A 47 VAL HA 1.0 1.80 5.02 2041 1608 A 50 LYS HGy A 47 VAL HA 1.0 1.80 5.02 2042 1609 A 50 LYS HDx A 47 VAL HA 1.0 1.80 5.46 2043 1609 A 50 LYS HDy A 47 VAL HA 1.0 1.80 5.46 2044 1610 A 48 TRP H A 47 VAL CB 1.0 1.80 6.26 2045 1611 A 51 ASN HBy A 47 VAL CB 1.0 1.80 6.90 2046 1612 A 51 ASN HD2y A 47 VAL CB 1.0 1.80 6.43 2047 1613 A 51 ASN HD2x A 47 VAL CB 1.0 1.80 7.30 2048 1614 A 48 TRP H A 48 TRP HBx 1.0 1.80 4.13 2049 1614 A 48 TRP H A 48 TRP HBy 1.0 1.80 4.13 2050 1615 A 48 TRP HE1 A 48 TRP HBx 1.0 1.80 5.64 2051 1615 A 48 TRP HE1 A 48 TRP HBy 1.0 1.80 5.64 2052 1616 A 49 PHE H A 48 TRP HBx 1.0 1.80 5.06 2053 1616 A 49 PHE H A 48 TRP HBy 1.0 1.80 5.06 2054 1617 A 49 PHE HA A 52 ARG HBy 1.0 1.80 4.65 2055 1617 A 49 PHE HA A 52 ARG HBx 1.0 1.80 4.65 2056 1618 A 50 LYS HGx A 50 LYS H 1.0 1.80 4.46 2057 1618 A 50 LYS HGy A 50 LYS H 1.0 1.80 4.46 2058 1619 A 50 LYS HDx A 50 LYS H 1.0 1.80 5.26 2059 1619 A 50 LYS HDy A 50 LYS H 1.0 1.80 5.26 2060 1620 A 50 LYS HGx A 50 LYS HEx 1.0 1.80 4.56 2061 1620 A 50 LYS HGx A 50 LYS HEy 1.0 1.80 4.56 2062 1620 A 50 LYS HEx A 50 LYS HGy 1.0 1.80 4.56 2063 1620 A 50 LYS HGy A 50 LYS HEy 1.0 1.80 4.56 2064 1621 A 50 LYS HGx A 51 ASN H 1.0 1.80 4.65 2065 1621 A 50 LYS HGy A 51 ASN H 1.0 1.80 4.65 2066 1622 A 50 LYS HDx A 51 ASN H 1.0 1.80 5.62 2067 1622 A 50 LYS HDy A 51 ASN H 1.0 1.80 5.62 2068 1623 A 51 ASN H A 52 ARG HBy 1.0 1.80 5.98 2069 1623 A 51 ASN H A 52 ARG HBx 1.0 1.80 5.98 2070 1624 A 52 ARG H A 52 ARG HGx 1.0 1.80 5.48 2071 1624 A 52 ARG H A 52 ARG HGy 1.0 1.80 5.48 2072 1625 A 52 ARG H A 53 ARG HGx 1.0 1.80 5.43 2073 1625 A 52 ARG H A 53 ARG HGy 1.0 1.80 5.43 2074 1626 A 52 ARG HBy A 52 ARG HE 1.0 1.80 4.63 2075 1626 A 52 ARG HBx A 52 ARG HE 1.0 1.80 4.63 2076 1627 A 52 ARG HE A 52 ARG HGx 1.0 1.80 4.23 2077 1627 A 52 ARG HE A 52 ARG HGy 1.0 1.80 4.23 2078 1628 A 53 ARG H A 52 ARG HGx 1.0 1.80 5.83 2079 1628 A 53 ARG H A 52 ARG HGy 1.0 1.80 5.83 2080 1629 A 53 ARG H A 53 ARG HGx 1.0 1.80 4.41 2081 1629 A 53 ARG H A 53 ARG HGy 1.0 1.80 4.41 2082 1630 A 53 ARG H A 53 ARG HDy 1.0 1.80 5.42 2083 1630 A 53 ARG H A 53 ARG HDx 1.0 1.80 5.42 2084 1631 A 53 ARG HGx A 53 ARG HA 1.0 1.80 4.59 2085 1631 A 53 ARG HGy A 53 ARG HA 1.0 1.80 4.59 2086 1632 A 53 ARG HDy A 53 ARG HA 1.0 1.80 5.65 2087 1632 A 53 ARG HDx A 53 ARG HA 1.0 1.80 5.65 2088 1633 A 54 ALA H A 53 ARG HBy 1.0 1.80 4.55 2089 1633 A 54 ALA H A 53 ARG HBx 1.0 1.80 4.55 2090 1634 A 53 ARG HE A 53 ARG HGx 1.0 1.80 4.46 2091 1634 A 53 ARG HE A 53 ARG HGy 1.0 1.80 4.46 2092 1635 A 54 ALA H A 53 ARG HGx 1.0 1.80 4.74 2093 1635 A 54 ALA H A 53 ARG HGy 1.0 1.80 4.74 2094 1636 A 54 ALA HA A 57 ARG HGx 1.0 1.80 5.00 2095 1636 A 54 ALA HA A 57 ARG HGy 1.0 1.80 5.00 2096 1637 A 54 ALA HB% A 57 ARG HBx 1.0 1.80 7.17 2097 1637 A 54 ALA HB% A 57 ARG HBy 1.0 1.80 7.17 2098 1638 A 55 LYS H A 55 LYS HBx 1.0 1.80 3.81 2099 1638 A 55 LYS HBy A 55 LYS H 1.0 1.80 3.81 2100 1639 A 55 LYS HGx A 55 LYS H 1.0 1.80 5.12 2101 1639 A 55 LYS HGy A 55 LYS H 1.0 1.80 5.12 2102 1640 A 55 LYS H A 55 LYS HDx 1.0 1.80 4.52 2103 1640 A 55 LYS H A 55 LYS HDy 1.0 1.80 4.52 2104 1641 A 55 LYS HA A 55 LYS HGx 1.0 1.80 4.39 2105 1641 A 55 LYS HA A 55 LYS HGy 1.0 1.80 4.39 2106 1642 A 55 LYS HA A 55 LYS HDx 1.0 1.80 5.09 2107 1642 A 55 LYS HA A 55 LYS HDy 1.0 1.80 5.09 2108 1643 A 55 LYS HEx A 55 LYS HBx 1.0 1.80 6.77 2109 1643 A 55 LYS HEy A 55 LYS HBy 1.0 1.80 6.77 2110 1643 A 55 LYS HEx A 55 LYS HBy 1.0 1.80 6.77 2111 1643 A 55 LYS HEy A 55 LYS HBx 1.0 1.80 6.77 2112 1644 A 55 LYS HEx A 55 LYS HGx 1.0 1.80 4.85 2113 1644 A 55 LYS HEy A 55 LYS HGx 1.0 1.80 4.85 2114 1644 A 55 LYS HEy A 55 LYS HGy 1.0 1.80 4.85 2115 1644 A 55 LYS HEx A 55 LYS HGy 1.0 1.80 4.85 2116 1645 A 56 TRP H A 55 LYS HDx 1.0 1.80 6.11 2117 1645 A 56 TRP H A 55 LYS HDy 1.0 1.80 6.11 2118 1646 A 58 LYS HBy A 55 LYS HDx 1.0 1.80 5.24 2119 1646 A 58 LYS HBx A 55 LYS HDx 1.0 1.80 5.24 2120 1646 A 58 LYS HBy A 55 LYS HDy 1.0 1.80 5.24 2121 1646 A 58 LYS HBx A 55 LYS HDy 1.0 1.80 5.24 2122 1647 A 56 TRP H A 56 TRP HBy 1.0 1.80 3.99 2123 1647 A 56 TRP H A 56 TRP HBx 1.0 1.80 3.99 2124 1648 A 56 TRP H A 57 ARG HGx 1.0 1.80 5.64 2125 1648 A 56 TRP H A 57 ARG HGy 1.0 1.80 5.64 2126 1649 A 59 ARG HBx A 56 TRP HA 1.0 1.80 5.07 2127 1649 A 59 ARG HBy A 56 TRP HA 1.0 1.80 5.07 2128 1650 A 56 TRP HBy A 57 ARG H 1.0 1.80 4.33 2129 1650 A 56 TRP HBx A 57 ARG H 1.0 1.80 4.33 2130 1651 A 56 TRP HE1 A 57 ARG HGx 1.0 1.80 6.29 2131 1651 A 56 TRP HE1 A 57 ARG HGy 1.0 1.80 6.29 2132 1652 A 57 ARG H A 57 ARG HBx 1.0 1.80 4.17 2133 1652 A 57 ARG H A 57 ARG HBy 1.0 1.80 4.17 2134 1653 A 57 ARG H A 57 ARG HGx 1.0 1.80 3.97 2135 1653 A 57 ARG H A 57 ARG HGy 1.0 1.80 3.97 2136 1654 A 57 ARG HA A 57 ARG HGx 1.0 1.80 4.61 2137 1654 A 57 ARG HA A 57 ARG HGy 1.0 1.80 4.61 2138 1655 A 57 ARG HA A 57 ARG HDx 1.0 1.80 5.91 2139 1655 A 57 ARG HA A 57 ARG HDy 1.0 1.80 5.91 2140 1656 A 57 ARG HA A 61 GLU HBx 1.0 1.80 5.60 2141 1656 A 57 ARG HA A 61 GLU HBy 1.0 1.80 5.60 2142 1657 A 57 ARG HBx A 57 ARG HDx 1.0 1.80 4.66 2143 1657 A 57 ARG HBy A 57 ARG HDx 1.0 1.80 4.66 2144 1657 A 57 ARG HBy A 57 ARG HDy 1.0 1.80 4.66 2145 1657 A 57 ARG HBx A 57 ARG HDy 1.0 1.80 4.66 2146 1658 A 57 ARG HE A 57 ARG HBx 1.0 1.80 3.98 2147 1658 A 57 ARG HE A 57 ARG HBy 1.0 1.80 3.98 2148 1659 A 58 LYS H A 57 ARG HGx 1.0 1.80 4.66 2149 1659 A 58 LYS H A 57 ARG HGy 1.0 1.80 4.66 2150 1660 A 58 LYS H A 58 LYS HGx 1.0 1.80 4.08 2151 1660 A 58 LYS H A 58 LYS HGy 1.0 1.80 4.08 2152 1661 A 59 ARG HBx A 59 ARG H 1.0 1.80 4.08 2153 1661 A 59 ARG HBy A 59 ARG H 1.0 1.80 4.08 2154 1662 A 59 ARG HBx A 59 ARG HGx 1.0 1.80 3.52 2155 1662 A 59 ARG HBx A 59 ARG HGy 1.0 1.80 3.52 2156 1662 A 59 ARG HBy A 59 ARG HGy 1.0 1.80 3.52 2157 1662 A 59 ARG HBy A 59 ARG HGx 1.0 1.80 3.52 2158 1663 A 59 ARG HBx A 59 ARG HDx 1.0 1.80 4.92 2159 1663 A 59 ARG HBx A 59 ARG HDy 1.0 1.80 4.92 2160 1663 A 59 ARG HDy A 59 ARG HBy 1.0 1.80 4.92 2161 1663 A 59 ARG HDx A 59 ARG HBy 1.0 1.80 4.92 2162 1664 A 59 ARG HBx A 60 GLU H 1.0 1.80 3.96 2163 1664 A 60 GLU H A 59 ARG HBy 1.0 1.80 3.96 2164 1665 A 60 GLU HA A 63 ILE HG1x 1.0 1.80 5.57 2165 1665 A 60 GLU HA A 63 ILE HG1y 1.0 1.80 5.57 2166 1666 A 60 GLU HBy A 63 ILE HG1y 1.0 1.80 5.78 2167 1666 A 60 GLU HBx A 63 ILE HG1x 1.0 1.80 5.78 2168 1666 A 60 GLU HBx A 63 ILE HG1y 1.0 1.80 5.78 2169 1666 A 60 GLU HBy A 63 ILE HG1x 1.0 1.80 5.78 2170 1667 A 61 GLU HGx A 61 GLU H 1.0 1.80 5.42 2171 1667 A 61 GLU HGy A 61 GLU H 1.0 1.80 5.42 2172 1668 A 61 GLU HA A 61 GLU HGx 1.0 1.80 4.15 2173 1668 A 61 GLU HA A 61 GLU HGy 1.0 1.80 4.15 2174 1669 A 63 ILE H A 63 ILE HG1x 1.0 1.80 4.60 2175 1669 A 63 ILE H A 63 ILE HG1y 1.0 1.80 4.60 2176 1670 A 63 ILE HA A 63 ILE HG1x 1.0 1.80 4.55 2177 1670 A 63 ILE HA A 63 ILE HG1y 1.0 1.80 4.55 2178 1671 A 64 VAL H A 63 ILE HG1x 1.0 1.80 5.93 2179 1671 A 64 VAL H A 63 ILE HG1y 1.0 1.80 5.93 2180 1672 A 64 VAL H A 64 VAL CB 1.0 1.80 6.19 2181 1673 A 65 THR H A 64 VAL CB 1.0 1.80 6.57 2182 1674 A 66 ASP H A 64 VAL CB 1.0 1.80 7.06 stop_ save_