data_nef_c25850_2n8i 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 2N8I stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY . . . 2 A 2 GLY . . . 3 A 3 SER . . . 4 A 4 PRO . . . 5 A 5 ASP . . . 6 A 6 GLU . . . 7 A 7 ASN . . . 8 A 8 ILE . . . 9 A 9 ALA . . . 10 A 10 LYS . . . 11 A 11 PHE . . . 12 A 12 GLU . . . 13 A 13 LYS . . . 14 A 14 ALA . . . 15 A 15 TYR . . . 16 A 16 LYS . . . 17 A 17 LYS . . . 18 A 18 ALA . . . 19 A 19 GLU . . . 20 A 20 GLU . . . 21 A 21 LEU . . . 22 A 22 ASN . . . 23 A 23 GLN . . . 24 A 24 GLY . . . 25 A 25 GLU . . . 26 A 26 LEU . . . 27 A 27 MET . . . 28 A 28 GLY . . . 29 A 29 ARG . . . 30 A 30 ALA . . . 31 A 31 LEU . . . 32 A 32 TYR . . . 33 A 33 ASN . . . 34 A 34 ILE . . . 35 A 35 GLY . . . 36 A 36 LEU . . . 37 A 37 GLU . . . 38 A 38 LYS . . . 39 A 39 ASN . . . 40 A 40 LYS . . . 41 A 41 MET . . . 42 A 42 GLY . . . 43 A 43 LYS . . . 44 A 44 VAL . . . 45 A 45 LYS . . . 46 A 46 GLU . . . 47 A 47 ALA . . . 48 A 48 ILE . . . 49 A 49 GLU . . . 50 A 50 TYR . . . 51 A 51 PHE . . . 52 A 52 LEU . . . 53 A 53 ARG . . . 54 A 54 ALA . . . 55 A 55 LYS . . . 56 A 56 LYS . . . 57 A 57 VAL . . . 58 A 58 PHE . . . 59 A 59 ASP . . . 60 A 60 ALA . . . 61 A 61 GLU . . . 62 A 62 HIS . . . 63 A 63 ASP . . . 64 A 64 THR . . . 65 A 65 ASP . . . 66 A 66 GLY . . . 67 A 67 ALA . . . 68 A 68 ARG . . . 69 A 69 ARG . . . 70 A 70 ALA . . . 71 A 71 ALA . . . 72 A 72 LYS . . . 73 A 73 SER . . . 74 A 74 LEU . . . 75 A 75 SER . . . 76 A 76 GLU . . . 77 A 77 ALA . . . 78 A 78 TYR . . . 79 A 79 GLN . . . 80 A 80 LYS . . . 81 A 81 VAL . . . 82 A 82 GLU . . . 83 A 83 GLY . . . 84 A 84 SER . . . 85 A 85 GLY . . . 86 A 86 ASP . . . 87 A 87 LYS . . . 88 A 88 GLY . . . 89 A 89 LYS . . . 90 A 90 ILE . . . 91 A 91 PHE . . . 92 A 92 GLN . . . 93 A 93 LYS . . . 94 A 94 GLU . . . 95 A 95 GLY . . . 96 A 96 GLU . . . 97 A 97 SER . . . 98 A 98 ILE . . . 99 A 99 LEU . . . 100 A 100 GLU . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY HAx H 1 4.005 0.020 A 2 GLY HAy H 1 4.091 0.020 A 2 GLY C C 13 173.891 0.100 A 2 GLY CA C 13 44.831 0.100 A 3 SER H H 1 8.428 0.020 A 3 SER HA H 1 4.799 0.020 A 3 SER HBy H 1 4.130 0.020 A 3 SER HBx H 1 3.935 0.020 A 3 SER C C 13 173.162 0.100 A 3 SER CA C 13 56.530 0.100 A 3 SER CB C 13 63.002 0.100 A 3 SER N N 15 117.545 0.100 A 4 PRO HA H 1 4.644 0.020 A 4 PRO HBy H 1 2.528 0.020 A 4 PRO HBx H 1 2.051 0.020 A 4 PRO HDy H 1 3.943 0.020 A 4 PRO HDx H 1 3.855 0.020 A 4 PRO HGy H 1 2.133 0.020 A 4 PRO HGx H 1 2.049 0.020 A 4 PRO C C 13 178.093 0.100 A 4 PRO CA C 13 65.378 0.100 A 4 PRO CB C 13 31.965 0.100 A 4 PRO CD C 13 50.377 0.100 A 4 PRO CG C 13 27.931 0.100 A 5 ASP H H 1 8.233 0.020 A 5 ASP HA H 1 4.353 0.020 A 5 ASP HBx H 1 2.479 0.020 A 5 ASP HBy H 1 2.581 0.020 A 5 ASP C C 13 178.915 0.100 A 5 ASP CA C 13 56.796 0.100 A 5 ASP CB C 13 40.690 0.100 A 5 ASP N N 15 115.270 0.100 A 6 GLU H H 1 7.770 0.020 A 6 GLU HA H 1 4.027 0.020 A 6 GLU HBy H 1 2.093 0.020 A 6 GLU HBx H 1 2.005 0.020 A 6 GLU HGx H 1 2.198 0.020 A 6 GLU HGy H 1 2.261 0.020 A 6 GLU C C 13 178.836 0.100 A 6 GLU CA C 13 58.594 0.100 A 6 GLU CB C 13 29.641 0.100 A 6 GLU CG C 13 36.600 0.100 A 6 GLU N N 15 121.390 0.100 A 7 ASN H H 1 8.378 0.020 A 7 ASN HA H 1 4.155 0.020 A 7 ASN HBy H 1 2.877 0.020 A 7 ASN HBx H 1 2.468 0.020 A 7 ASN HD21 H 1 7.752 0.020 A 7 ASN HD22 H 1 6.716 0.020 A 7 ASN C C 13 176.723 0.100 A 7 ASN CA C 13 55.007 0.100 A 7 ASN CB C 13 36.627 0.100 A 7 ASN N N 15 119.966 0.100 A 7 ASN ND2 N 15 111.816 0.100 A 8 ILE H H 1 8.626 0.020 A 8 ILE HA H 1 3.608 0.020 A 8 ILE HB H 1 1.901 0.020 A 8 ILE HD1% H 1 0.767 0.020 A 8 ILE HG1x H 1 0.920 0.020 A 8 ILE HG1y H 1 1.858 0.020 A 8 ILE HG2% H 1 0.844 0.020 A 8 ILE CA C 13 66.495 0.100 A 8 ILE CB C 13 37.558 0.100 A 8 ILE CD1 C 13 13.761 0.100 A 8 ILE CG1 C 13 31.105 0.100 A 8 ILE CG2 C 13 17.069 0.100 A 8 ILE N N 15 119.915 0.100 A 9 ALA H H 1 7.597 0.020 A 9 ALA HA H 1 4.235 0.020 A 9 ALA HB% H 1 1.454 0.020 A 9 ALA C C 13 180.624 0.100 A 9 ALA CA C 13 54.922 0.100 A 9 ALA CB C 13 17.710 0.100 A 9 ALA N N 15 121.268 0.100 A 10 LYS H H 1 7.569 0.020 A 10 LYS HA H 1 4.011 0.020 A 10 LYS HBy H 1 1.726 0.020 A 10 LYS HBx H 1 1.686 0.020 A 10 LYS HD2 H 1 1.514 0.020 A 10 LYS HD3 H 1 1.514 0.020 A 10 LYS HE2 H 1 2.749 0.020 A 10 LYS HE3 H 1 2.749 0.020 A 10 LYS HGy H 1 1.429 0.020 A 10 LYS HGx H 1 1.148 0.020 A 10 LYS C C 13 180.034 0.100 A 10 LYS CA C 13 59.264 0.100 A 10 LYS CB C 13 31.744 0.100 A 10 LYS CD C 13 29.229 0.100 A 10 LYS CE C 13 41.809 0.100 A 10 LYS CG C 13 24.817 0.100 A 10 LYS N N 15 118.798 0.100 A 11 PHE H H 1 8.347 0.020 A 11 PHE HA H 1 4.728 0.020 A 11 PHE HBx H 1 2.975 0.020 A 11 PHE HBy H 1 3.362 0.020 A 11 PHE HD1 H 1 7.104 0.020 A 11 PHE HD2 H 1 7.104 0.020 A 11 PHE HE1 H 1 7.354 0.020 A 11 PHE HE2 H 1 7.354 0.020 A 11 PHE HZ H 1 7.279 0.020 A 11 PHE C C 13 178.445 0.100 A 11 PHE CA C 13 59.549 0.100 A 11 PHE CB C 13 39.001 0.100 A 11 PHE CD1 C 13 131.054 0.100 A 11 PHE CD2 C 13 131.054 0.100 A 11 PHE CE1 C 13 131.550 0.100 A 11 PHE CE2 C 13 131.550 0.100 A 11 PHE CZ C 13 129.712 0.100 A 11 PHE N N 15 121.394 0.100 A 12 GLU H H 1 9.184 0.020 A 12 GLU HA H 1 4.127 0.020 A 12 GLU HBy H 1 2.249 0.020 A 12 GLU HBx H 1 2.037 0.020 A 12 GLU HGy H 1 2.497 0.020 A 12 GLU HGx H 1 2.173 0.020 A 12 GLU C C 13 179.600 0.100 A 12 GLU CA C 13 59.803 0.100 A 12 GLU CB C 13 29.488 0.100 A 12 GLU CG C 13 37.015 0.100 A 12 GLU N N 15 121.864 0.100 A 13 LYS H H 1 7.800 0.020 A 13 LYS HA H 1 4.127 0.020 A 13 LYS HB2 H 1 1.955 0.020 A 13 LYS HB3 H 1 1.955 0.020 A 13 LYS HD2 H 1 1.702 0.020 A 13 LYS HD3 H 1 1.702 0.020 A 13 LYS HE2 H 1 2.981 0.020 A 13 LYS HE3 H 1 2.981 0.020 A 13 LYS HGy H 1 1.663 0.020 A 13 LYS HGx H 1 1.484 0.020 A 13 LYS C C 13 179.120 0.100 A 13 LYS CA C 13 59.308 0.100 A 13 LYS CB C 13 32.147 0.100 A 13 LYS CD C 13 29.106 0.100 A 13 LYS CE C 13 42.020 0.100 A 13 LYS CG C 13 25.225 0.100 A 13 LYS N N 15 120.472 0.100 A 14 ALA H H 1 8.001 0.020 A 14 ALA HA H 1 4.205 0.020 A 14 ALA HB% H 1 1.701 0.020 A 14 ALA C C 13 180.640 0.100 A 14 ALA CA C 13 54.756 0.100 A 14 ALA CB C 13 17.913 0.100 A 14 ALA N N 15 122.753 0.100 A 15 TYR H H 1 8.906 0.020 A 15 TYR HA H 1 3.850 0.020 A 15 TYR HB2 H 1 3.100 0.020 A 15 TYR HB3 H 1 3.357 0.020 A 15 TYR HD1 H 1 7.168 0.020 A 15 TYR HD2 H 1 7.168 0.020 A 15 TYR HE1 H 1 6.730 0.020 A 15 TYR HE2 H 1 6.730 0.020 A 15 TYR C C 13 175.898 0.100 A 15 TYR CA C 13 62.008 0.100 A 15 TYR CB C 13 37.756 0.100 A 15 TYR CD1 C 13 132.590 0.100 A 15 TYR CD2 C 13 132.590 0.100 A 15 TYR CE1 C 13 118.412 0.100 A 15 TYR CE2 C 13 118.412 0.100 A 16 LYS H H 1 8.059 0.020 A 16 LYS HA H 1 3.985 0.020 A 16 LYS HB2 H 1 1.983 0.020 A 16 LYS HB3 H 1 1.983 0.020 A 16 LYS HD2 H 1 1.773 0.020 A 16 LYS HD3 H 1 1.773 0.020 A 16 LYS HE2 H 1 3.034 0.020 A 16 LYS HE3 H 1 3.034 0.020 A 16 LYS HGy H 1 1.694 0.020 A 16 LYS HGx H 1 1.625 0.020 A 16 LYS C C 13 179.068 0.100 A 16 LYS CA C 13 58.622 0.100 A 16 LYS CB C 13 32.131 0.100 A 16 LYS CD C 13 28.710 0.100 A 16 LYS CE C 13 42.016 0.100 A 16 LYS CG C 13 24.897 0.100 A 16 LYS N N 15 119.082 0.100 A 17 LYS H H 1 7.900 0.020 A 17 LYS HA H 1 4.142 0.020 A 17 LYS HB2 H 1 1.874 0.020 A 17 LYS HB3 H 1 1.874 0.020 A 17 LYS HD2 H 1 1.712 0.020 A 17 LYS HD3 H 1 1.712 0.020 A 17 LYS HE2 H 1 2.952 0.020 A 17 LYS HE3 H 1 2.952 0.020 A 17 LYS HG2 H 1 1.524 0.020 A 17 LYS HG3 H 1 1.524 0.020 A 17 LYS CA C 13 57.951 0.100 A 17 LYS CB C 13 31.802 0.100 A 17 LYS CD C 13 28.354 0.100 A 17 LYS CE C 13 41.945 0.100 A 17 LYS CG C 13 24.356 0.100 A 17 LYS N N 15 119.708 0.100 A 18 ALA H H 1 7.854 0.020 A 18 ALA HA H 1 4.329 0.020 A 18 ALA HB% H 1 1.458 0.020 A 18 ALA C C 13 179.572 0.100 A 18 ALA CA C 13 54.110 0.100 A 18 ALA CB C 13 18.782 0.100 A 18 ALA N N 15 120.860 0.100 A 19 GLU H H 1 8.690 0.020 A 19 GLU HA H 1 4.240 0.020 A 19 GLU HBy H 1 2.088 0.020 A 19 GLU HBx H 1 1.592 0.020 A 19 GLU HGy H 1 2.109 0.020 A 19 GLU HGx H 1 2.067 0.020 A 19 GLU C C 13 180.268 0.100 A 19 GLU CA C 13 59.147 0.100 A 19 GLU CB C 13 29.889 0.100 A 19 GLU CG C 13 36.287 0.100 A 19 GLU N N 15 120.904 0.100 A 20 GLU H H 1 7.898 0.020 A 20 GLU HA H 1 4.024 0.020 A 20 GLU HBy H 1 2.237 0.020 A 20 GLU HBx H 1 2.109 0.020 A 20 GLU HGy H 1 2.482 0.020 A 20 GLU HGx H 1 2.243 0.020 A 20 GLU C C 13 177.975 0.100 A 20 GLU CA C 13 58.935 0.100 A 20 GLU CB C 13 29.549 0.100 A 20 GLU CG C 13 36.228 0.100 A 20 GLU N N 15 120.868 0.100 A 21 LEU H H 1 7.393 0.020 A 21 LEU HA H 1 4.351 0.020 A 21 LEU HB2 H 1 1.637 0.020 A 21 LEU HB3 H 1 1.637 0.020 A 21 LEU HDx% H 1 0.845 0.020 A 21 LEU HDy% H 1 0.842 0.020 A 21 LEU HG H 1 1.721 0.020 A 21 LEU C C 13 176.199 0.100 A 21 LEU CA C 13 54.158 0.100 A 21 LEU CB C 13 41.776 0.100 A 21 LEU CD1 C 13 25.220 0.100 A 21 LEU CD2 C 13 22.190 0.100 A 21 LEU CG C 13 26.626 0.100 A 21 LEU N N 15 116.701 0.100 A 22 ASN H H 1 7.994 0.020 A 22 ASN HA H 1 4.278 0.020 A 22 ASN HBy H 1 3.164 0.020 A 22 ASN HBx H 1 2.725 0.020 A 22 ASN HD21 H 1 7.566 0.020 A 22 ASN HD22 H 1 6.852 0.020 A 22 ASN C C 13 174.436 0.100 A 22 ASN CA C 13 54.104 0.100 A 22 ASN CB C 13 37.364 0.100 A 22 ASN N N 15 118.557 0.100 A 22 ASN ND2 N 15 112.248 0.100 A 23 GLN H H 1 8.378 0.020 A 23 GLN HA H 1 4.557 0.020 A 23 GLN HB2 H 1 2.077 0.020 A 23 GLN HB3 H 1 2.077 0.020 A 23 GLN HE21 H 1 7.347 0.020 A 23 GLN HE22 H 1 6.507 0.020 A 23 GLN HGy H 1 2.314 0.020 A 23 GLN HGx H 1 2.201 0.020 A 23 GLN C C 13 176.685 0.100 A 23 GLN CA C 13 53.983 0.100 A 23 GLN CB C 13 27.770 0.100 A 23 GLN CG C 13 33.498 0.100 A 23 GLN N N 15 118.344 0.100 A 23 GLN NE2 N 15 109.840 0.100 A 24 GLY H H 1 8.468 0.020 A 24 GLY HA2 H 1 3.761 0.020 A 24 GLY HA3 H 1 3.917 0.020 A 24 GLY C C 13 175.286 0.100 A 24 GLY CA C 13 47.823 0.100 A 24 GLY N N 15 113.071 0.100 A 25 GLU H H 1 9.067 0.020 A 25 GLU HA H 1 4.124 0.020 A 25 GLU HBy H 1 2.219 0.020 A 25 GLU HBx H 1 2.129 0.020 A 25 GLU HGx H 1 2.363 0.020 A 25 GLU HGy H 1 2.494 0.020 A 25 GLU C C 13 176.495 0.100 A 25 GLU CA C 13 59.621 0.100 A 25 GLU CB C 13 28.636 0.100 A 25 GLU CG C 13 35.738 0.100 A 25 GLU N N 15 120.717 0.100 A 26 LEU H H 1 7.165 0.020 A 26 LEU HA H 1 4.222 0.020 A 26 LEU HBy H 1 1.863 0.020 A 26 LEU HBx H 1 1.505 0.020 A 26 LEU HDx% H 1 0.935 0.020 A 26 LEU HDy% H 1 0.894 0.020 A 26 LEU HG H 1 1.722 0.020 A 26 LEU C C 13 180.590 0.100 A 26 LEU CA C 13 56.882 0.100 A 26 LEU CB C 13 41.231 0.100 A 26 LEU CD1 C 13 24.716 0.100 A 26 LEU CD2 C 13 22.418 0.100 A 26 LEU CG C 13 27.223 0.100 A 27 MET H H 1 8.203 0.020 A 27 MET HA H 1 3.932 0.020 A 27 MET HB2 H 1 2.421 0.020 A 27 MET HB3 H 1 2.124 0.020 A 27 MET HE% H 1 1.996 0.020 A 27 MET HGx H 1 1.955 0.020 A 27 MET HGy H 1 2.290 0.020 A 27 MET CA C 13 59.980 0.100 A 27 MET CB C 13 34.537 0.100 A 27 MET CE C 13 16.664 0.100 A 27 MET CG C 13 32.382 0.100 A 27 MET N N 15 121.053 0.100 A 28 GLY H H 1 8.527 0.020 A 28 GLY HA2 H 1 3.198 0.020 A 28 GLY HA3 H 1 2.816 0.020 A 28 GLY C C 13 174.900 0.100 A 28 GLY CA C 13 47.672 0.100 A 28 GLY N N 15 106.038 0.100 A 29 ARG H H 1 8.224 0.020 A 29 ARG HA H 1 4.195 0.020 A 29 ARG HB2 H 1 2.019 0.020 A 29 ARG HB3 H 1 2.019 0.020 A 29 ARG HDy H 1 3.300 0.020 A 29 ARG HDx H 1 3.188 0.020 A 29 ARG HGy H 1 2.129 0.020 A 29 ARG HGx H 1 1.848 0.020 A 29 ARG C C 13 178.065 0.100 A 29 ARG CA C 13 59.974 0.100 A 29 ARG CB C 13 30.416 0.100 A 29 ARG CD C 13 43.666 0.100 A 29 ARG CG C 13 28.013 0.100 A 29 ARG N N 15 120.201 0.100 A 30 ALA H H 1 7.876 0.020 A 30 ALA HA H 1 4.197 0.020 A 30 ALA HB% H 1 1.807 0.020 A 30 ALA C C 13 179.433 0.100 A 30 ALA CA C 13 55.838 0.100 A 30 ALA CB C 13 18.269 0.100 A 30 ALA N N 15 121.394 0.100 A 31 LEU H H 1 8.084 0.020 A 31 LEU HA H 1 4.003 0.020 A 31 LEU HB2 H 1 1.517 0.020 A 31 LEU HB3 H 1 2.026 0.020 A 31 LEU HDx% H 1 0.769 0.020 A 31 LEU HDy% H 1 0.563 0.020 A 31 LEU HG H 1 2.044 0.020 A 31 LEU C C 13 178.416 0.100 A 31 LEU CA C 13 57.921 0.100 A 31 LEU CB C 13 42.463 0.100 A 31 LEU CD1 C 13 25.948 0.100 A 31 LEU CD2 C 13 22.089 0.100 A 31 LEU CG C 13 26.045 0.100 A 31 LEU N N 15 116.122 0.100 A 32 TYR H H 1 8.562 0.020 A 32 TYR HA H 1 4.063 0.020 A 32 TYR HB2 H 1 3.197 0.020 A 32 TYR HB3 H 1 3.302 0.020 A 32 TYR HD1 H 1 7.131 0.020 A 32 TYR HD2 H 1 7.131 0.020 A 32 TYR HE1 H 1 6.580 0.020 A 32 TYR HE2 H 1 6.580 0.020 A 32 TYR C C 13 176.310 0.100 A 32 TYR CA C 13 61.992 0.100 A 32 TYR CB C 13 38.659 0.100 A 32 TYR CD1 C 13 131.852 0.100 A 32 TYR CD2 C 13 131.852 0.100 A 32 TYR CE1 C 13 118.197 0.100 A 32 TYR CE2 C 13 118.197 0.100 A 32 TYR N N 15 119.225 0.100 A 33 ASN H H 1 8.213 0.020 A 33 ASN HA H 1 4.068 0.020 A 33 ASN HB2 H 1 2.015 0.020 A 33 ASN HB3 H 1 2.015 0.020 A 33 ASN HD21 H 1 6.800 0.020 A 33 ASN HD22 H 1 6.800 0.020 A 33 ASN C C 13 178.353 0.100 A 33 ASN CA C 13 55.858 0.100 A 33 ASN CB C 13 35.968 0.100 A 33 ASN N N 15 116.880 0.100 A 33 ASN ND2 N 15 111.748 0.100 A 34 ILE H H 1 8.087 0.020 A 34 ILE HA H 1 3.300 0.020 A 34 ILE HB H 1 1.434 0.020 A 34 ILE HD1% H 1 0.701 0.020 A 34 ILE HG1y H 1 2.000 0.020 A 34 ILE HG1x H 1 0.762 0.020 A 34 ILE HG2% H 1 -0.211 0.020 A 34 ILE C C 13 177.867 0.100 A 34 ILE CA C 13 66.528 0.100 A 34 ILE CB C 13 37.839 0.100 A 34 ILE CD1 C 13 13.277 0.100 A 34 ILE CG1 C 13 31.430 0.100 A 34 ILE CG2 C 13 16.110 0.100 A 34 ILE N N 15 121.401 0.100 A 35 GLY H H 1 7.922 0.020 A 35 GLY HAy H 1 2.989 0.020 A 35 GLY HAx H 1 2.946 0.020 A 35 GLY C C 13 175.048 0.100 A 35 GLY CA C 13 48.547 0.100 A 35 GLY N N 15 107.275 0.100 A 36 LEU H H 1 8.177 0.020 A 36 LEU HA H 1 4.048 0.020 A 36 LEU HB2 H 1 2.058 0.020 A 36 LEU HB3 H 1 1.325 0.020 A 36 LEU HDx% H 1 0.774 0.020 A 36 LEU HDy% H 1 0.795 0.020 A 36 LEU HG H 1 1.355 0.020 A 36 LEU C C 13 180.804 0.100 A 36 LEU CA C 13 58.063 0.100 A 36 LEU CB C 13 41.701 0.100 A 36 LEU CD1 C 13 25.781 0.100 A 36 LEU CD2 C 13 21.944 0.100 A 36 LEU CG C 13 25.726 0.100 A 36 LEU N N 15 120.414 0.100 A 37 GLU H H 1 7.750 0.020 A 37 GLU HA H 1 4.075 0.020 A 37 GLU HBy H 1 2.133 0.020 A 37 GLU HBx H 1 2.061 0.020 A 37 GLU HGy H 1 2.695 0.020 A 37 GLU HGx H 1 2.251 0.020 A 37 GLU C C 13 179.517 0.100 A 37 GLU CA C 13 58.603 0.100 A 37 GLU CB C 13 29.799 0.100 A 37 GLU CG C 13 35.856 0.100 A 37 GLU N N 15 120.083 0.100 A 38 LYS H H 1 8.550 0.020 A 38 LYS HA H 1 3.862 0.020 A 38 LYS HBy H 1 1.944 0.020 A 38 LYS HBx H 1 1.890 0.020 A 38 LYS HDy H 1 1.560 0.020 A 38 LYS HDx H 1 1.381 0.020 A 38 LYS HEx H 1 2.470 0.020 A 38 LYS HEy H 1 2.620 0.020 A 38 LYS HGx H 1 0.952 0.020 A 38 LYS HGy H 1 1.393 0.020 A 38 LYS C C 13 179.253 0.100 A 38 LYS CA C 13 57.937 0.100 A 38 LYS CB C 13 30.769 0.100 A 38 LYS CD C 13 28.265 0.100 A 38 LYS CE C 13 42.477 0.100 A 38 LYS CG C 13 25.488 0.100 A 38 LYS N N 15 118.263 0.100 A 39 ASN H H 1 8.294 0.020 A 39 ASN HA H 1 4.193 0.020 A 39 ASN HB2 H 1 2.732 0.020 A 39 ASN HB3 H 1 2.921 0.020 A 39 ASN HD21 H 1 7.643 0.020 A 39 ASN HD22 H 1 6.619 0.020 A 39 ASN C C 13 179.428 0.100 A 39 ASN CA C 13 56.177 0.100 A 39 ASN CB C 13 38.478 0.100 A 39 ASN N N 15 118.329 0.100 A 39 ASN ND2 N 15 109.718 0.100 A 40 LYS H H 1 7.912 0.020 A 40 LYS HA H 1 4.047 0.020 A 40 LYS HBy H 1 2.072 0.020 A 40 LYS HBx H 1 1.993 0.020 A 40 LYS HD2 H 1 1.723 0.020 A 40 LYS HD3 H 1 1.723 0.020 A 40 LYS HEy H 1 2.934 0.020 A 40 LYS HEx H 1 2.817 0.020 A 40 LYS HGy H 1 1.702 0.020 A 40 LYS HGx H 1 1.495 0.020 A 40 LYS C C 13 178.229 0.100 A 40 LYS CA C 13 59.471 0.100 A 40 LYS CB C 13 32.427 0.100 A 40 LYS CD C 13 29.594 0.100 A 40 LYS CE C 13 41.925 0.100 A 40 LYS CG C 13 25.190 0.100 A 40 LYS N N 15 121.176 0.100 A 41 MET H H 1 7.389 0.020 A 41 MET HA H 1 4.512 0.020 A 41 MET HBy H 1 2.299 0.020 A 41 MET HBx H 1 2.186 0.020 A 41 MET HE% H 1 2.085 0.020 A 41 MET HGy H 1 2.710 0.020 A 41 MET HGx H 1 2.659 0.020 A 41 MET C C 13 175.915 0.100 A 41 MET CA C 13 55.529 0.100 A 41 MET CB C 13 34.022 0.100 A 41 MET CE C 13 17.074 0.100 A 41 MET CG C 13 31.711 0.100 A 41 MET N N 15 114.548 0.100 A 42 GLY H H 1 7.929 0.020 A 42 GLY HAy H 1 4.300 0.020 A 42 GLY HAx H 1 3.782 0.020 A 42 GLY C C 13 175.041 0.100 A 42 GLY CA C 13 45.335 0.100 A 42 GLY N N 15 107.409 0.100 A 43 LYS H H 1 8.040 0.020 A 43 LYS HA H 1 4.684 0.020 A 43 LYS HBy H 1 1.922 0.020 A 43 LYS HBx H 1 1.688 0.020 A 43 LYS HDx H 1 1.585 0.020 A 43 LYS HDy H 1 1.736 0.020 A 43 LYS HEy H 1 3.085 0.020 A 43 LYS HEx H 1 2.973 0.020 A 43 LYS HG2 H 1 1.333 0.020 A 43 LYS HG3 H 1 1.333 0.020 A 43 LYS C C 13 176.514 0.100 A 43 LYS CA C 13 53.791 0.100 A 43 LYS CB C 13 30.065 0.100 A 43 LYS CD C 13 29.240 0.100 A 43 LYS CE C 13 42.290 0.100 A 43 LYS CG C 13 24.493 0.100 A 43 LYS N N 15 124.326 0.100 A 44 VAL H H 1 7.439 0.020 A 44 VAL HA H 1 3.580 0.020 A 44 VAL HB H 1 2.014 0.020 A 44 VAL HGx% H 1 1.020 0.020 A 44 VAL HGy% H 1 1.046 0.020 A 44 VAL C C 13 177.096 0.100 A 44 VAL CA C 13 66.166 0.100 A 44 VAL CB C 13 31.869 0.100 A 44 VAL CG1 C 13 22.043 0.100 A 44 VAL CG2 C 13 22.052 0.100 A 44 VAL N N 15 121.020 0.100 A 45 LYS H H 1 8.427 0.020 A 45 LYS HA H 1 3.950 0.020 A 45 LYS HB2 H 1 1.894 0.020 A 45 LYS HB3 H 1 1.846 0.020 A 45 LYS HD2 H 1 1.710 0.020 A 45 LYS HD3 H 1 1.710 0.020 A 45 LYS HE2 H 1 3.003 0.020 A 45 LYS HE3 H 1 3.003 0.020 A 45 LYS HGy H 1 1.583 0.020 A 45 LYS HGx H 1 1.398 0.020 A 45 LYS C C 13 179.726 0.100 A 45 LYS CA C 13 60.153 0.100 A 45 LYS CB C 13 31.446 0.100 A 45 LYS CD C 13 29.260 0.100 A 45 LYS CE C 13 42.005 0.100 A 45 LYS CG C 13 25.726 0.100 A 45 LYS N N 15 119.164 0.100 A 46 GLU H H 1 7.867 0.020 A 46 GLU HA H 1 4.092 0.020 A 46 GLU HBx H 1 1.961 0.020 A 46 GLU HBy H 1 2.037 0.020 A 46 GLU HGy H 1 2.380 0.020 A 46 GLU HGx H 1 2.321 0.020 A 46 GLU C C 13 178.490 0.100 A 46 GLU CA C 13 59.327 0.100 A 46 GLU CB C 13 29.764 0.100 A 46 GLU CG C 13 37.303 0.100 A 46 GLU N N 15 118.446 0.100 A 47 ALA H H 1 8.315 0.020 A 47 ALA HA H 1 3.513 0.020 A 47 ALA HB% H 1 1.210 0.020 A 47 ALA C C 13 178.065 0.100 A 47 ALA CA C 13 55.905 0.100 A 47 ALA CB C 13 18.256 0.100 A 47 ALA N N 15 122.279 0.100 A 48 ILE H H 1 8.077 0.020 A 48 ILE HA H 1 3.401 0.020 A 48 ILE HB H 1 1.927 0.020 A 48 ILE HD1% H 1 0.688 0.020 A 48 ILE HG1y H 1 1.814 0.020 A 48 ILE HG1x H 1 0.668 0.020 A 48 ILE HG2% H 1 0.855 0.020 A 48 ILE C C 13 176.808 0.100 A 48 ILE CA C 13 66.282 0.100 A 48 ILE CB C 13 38.375 0.100 A 48 ILE CD1 C 13 13.924 0.100 A 48 ILE CG1 C 13 31.365 0.100 A 48 ILE CG2 C 13 16.722 0.100 A 48 ILE N N 15 115.863 0.100 A 49 GLU H H 1 7.175 0.020 A 49 GLU HA H 1 3.920 0.020 A 49 GLU HBx H 1 1.916 0.020 A 49 GLU HBy H 1 2.073 0.020 A 49 GLU HGy H 1 2.276 0.020 A 49 GLU HGx H 1 2.055 0.020 A 49 GLU C C 13 179.914 0.100 A 49 GLU CA C 13 59.535 0.100 A 49 GLU CB C 13 28.995 0.100 A 49 GLU CG C 13 35.842 0.100 A 49 GLU N N 15 116.853 0.100 A 50 TYR H H 1 7.676 0.020 A 50 TYR HA H 1 3.774 0.020 A 50 TYR HB2 H 1 2.447 0.020 A 50 TYR HB3 H 1 3.076 0.020 A 50 TYR HD1 H 1 7.163 0.020 A 50 TYR HD2 H 1 7.163 0.020 A 50 TYR HE1 H 1 6.633 0.020 A 50 TYR HE2 H 1 6.633 0.020 A 50 TYR C C 13 178.462 0.100 A 50 TYR CA C 13 64.368 0.100 A 50 TYR CB C 13 37.345 0.100 A 50 TYR CD1 C 13 132.409 0.100 A 50 TYR CD2 C 13 132.409 0.100 A 50 TYR CE1 C 13 118.343 0.100 A 50 TYR CE2 C 13 118.343 0.100 A 50 TYR N N 15 117.578 0.100 A 51 PHE H H 1 9.013 0.020 A 51 PHE HA H 1 4.711 0.020 A 51 PHE HB2 H 1 3.216 0.020 A 51 PHE HB3 H 1 3.327 0.020 A 51 PHE HD1 H 1 6.933 0.020 A 51 PHE HD2 H 1 6.933 0.020 A 51 PHE HE1 H 1 6.989 0.020 A 51 PHE HE2 H 1 6.989 0.020 A 51 PHE HZ H 1 6.887 0.020 A 51 PHE C C 13 178.720 0.100 A 51 PHE CA C 13 58.958 0.100 A 51 PHE CB C 13 37.771 0.100 A 51 PHE CD1 C 13 129.209 0.100 A 51 PHE CD2 C 13 129.209 0.100 A 51 PHE CE1 C 13 131.465 0.100 A 51 PHE CE2 C 13 131.465 0.100 A 51 PHE CZ C 13 129.087 0.100 A 51 PHE N N 15 119.480 0.100 A 52 LEU H H 1 8.906 0.020 A 52 LEU HA H 1 4.093 0.020 A 52 LEU HB2 H 1 1.984 0.020 A 52 LEU HB3 H 1 1.520 0.020 A 52 LEU HDx% H 1 0.932 0.020 A 52 LEU HDy% H 1 0.973 0.020 A 52 LEU HG H 1 1.866 0.020 A 52 LEU C C 13 180.229 0.100 A 52 LEU CA C 13 58.252 0.100 A 52 LEU CB C 13 42.160 0.100 A 52 LEU CD1 C 13 25.523 0.100 A 52 LEU CD2 C 13 23.868 0.100 A 52 LEU CG C 13 26.663 0.100 A 52 LEU N N 15 120.365 0.100 A 53 ARG H H 1 7.846 0.020 A 53 ARG HA H 1 3.929 0.020 A 53 ARG HB2 H 1 1.735 0.020 A 53 ARG HB3 H 1 1.944 0.020 A 53 ARG HDy H 1 2.936 0.020 A 53 ARG HDx H 1 2.636 0.020 A 53 ARG HGy H 1 1.944 0.020 A 53 ARG HGx H 1 1.563 0.020 A 53 ARG C C 13 179.087 0.100 A 53 ARG CA C 13 59.580 0.100 A 53 ARG CB C 13 31.418 0.100 A 53 ARG CD C 13 43.972 0.100 A 53 ARG CG C 13 27.302 0.100 A 53 ARG N N 15 119.294 0.100 A 54 ALA H H 1 8.892 0.020 A 54 ALA HA H 1 3.693 0.020 A 54 ALA HB% H 1 1.618 0.020 A 54 ALA C C 13 177.631 0.100 A 54 ALA CA C 13 55.115 0.100 A 54 ALA CB C 13 17.612 0.100 A 54 ALA N N 15 121.351 0.100 A 55 LYS H H 1 8.626 0.020 A 55 LYS HA H 1 3.835 0.020 A 55 LYS HB2 H 1 1.933 0.020 A 55 LYS HB3 H 1 2.156 0.020 A 55 LYS HDx H 1 1.673 0.020 A 55 LYS HDy H 1 1.708 0.020 A 55 LYS HE2 H 1 3.082 0.020 A 55 LYS HE3 H 1 3.082 0.020 A 55 LYS HGy H 1 1.709 0.020 A 55 LYS HGx H 1 1.481 0.020 A 55 LYS C C 13 176.970 0.100 A 55 LYS CA C 13 60.725 0.100 A 55 LYS CB C 13 32.602 0.100 A 55 LYS CD C 13 29.151 0.100 A 55 LYS CE C 13 42.182 0.100 A 55 LYS CG C 13 25.577 0.100 A 55 LYS N N 15 117.135 0.100 A 56 LYS H H 1 7.652 0.020 A 56 LYS HA H 1 4.171 0.020 A 56 LYS HB2 H 1 1.949 0.020 A 56 LYS HB3 H 1 1.949 0.020 A 56 LYS HD2 H 1 1.706 0.020 A 56 LYS HD3 H 1 1.706 0.020 A 56 LYS HE2 H 1 2.982 0.020 A 56 LYS HE3 H 1 2.982 0.020 A 56 LYS HGy H 1 1.634 0.020 A 56 LYS HGx H 1 1.484 0.020 A 56 LYS C C 13 180.037 0.100 A 56 LYS CA C 13 59.606 0.100 A 56 LYS CB C 13 32.349 0.100 A 56 LYS CD C 13 29.242 0.100 A 56 LYS CE C 13 41.964 0.100 A 56 LYS CG C 13 25.084 0.100 A 56 LYS N N 15 116.695 0.100 A 57 VAL H H 1 7.583 0.020 A 57 VAL HA H 1 3.753 0.020 A 57 VAL HB H 1 1.839 0.020 A 57 VAL HGx% H 1 0.824 0.020 A 57 VAL HGy% H 1 0.973 0.020 A 57 VAL C C 13 178.174 0.100 A 57 VAL CA C 13 66.226 0.100 A 57 VAL CB C 13 31.424 0.100 A 57 VAL CG1 C 13 22.248 0.100 A 57 VAL CG2 C 13 22.746 0.100 A 57 VAL N N 15 120.809 0.100 A 58 PHE H H 1 8.871 0.020 A 58 PHE HA H 1 4.521 0.020 A 58 PHE HB2 H 1 2.841 0.020 A 58 PHE HB3 H 1 3.631 0.020 A 58 PHE HD1 H 1 6.956 0.020 A 58 PHE HD2 H 1 6.956 0.020 A 58 PHE HE1 H 1 7.075 0.020 A 58 PHE HE2 H 1 7.075 0.020 A 58 PHE HZ H 1 6.843 0.020 A 58 PHE C C 13 179.187 0.100 A 58 PHE CA C 13 59.849 0.100 A 58 PHE CB C 13 37.753 0.100 A 58 PHE CD1 C 13 130.820 0.100 A 58 PHE CD2 C 13 130.820 0.100 A 58 PHE CE1 C 13 130.657 0.100 A 58 PHE CE2 C 13 130.657 0.100 A 58 PHE CZ C 13 128.812 0.100 A 58 PHE N N 15 118.864 0.100 A 59 ASP H H 1 9.157 0.020 A 59 ASP HA H 1 4.444 0.020 A 59 ASP HB2 H 1 2.814 0.020 A 59 ASP HB3 H 1 2.560 0.020 A 59 ASP C C 13 180.066 0.100 A 59 ASP CA C 13 57.201 0.100 A 59 ASP CB C 13 39.713 0.100 A 59 ASP N N 15 119.714 0.100 A 60 ALA H H 1 7.742 0.020 A 60 ALA HA H 1 4.087 0.020 A 60 ALA HB% H 1 1.594 0.020 A 60 ALA C C 13 179.389 0.100 A 60 ALA CA C 13 54.760 0.100 A 60 ALA CB C 13 18.025 0.100 A 60 ALA N N 15 124.290 0.100 A 61 GLU H H 1 7.908 0.020 A 61 GLU HA H 1 4.259 0.020 A 61 GLU HBy H 1 2.491 0.020 A 61 GLU HBx H 1 1.949 0.020 A 61 GLU HGy H 1 2.496 0.020 A 61 GLU HGx H 1 2.122 0.020 A 61 GLU C C 13 175.970 0.100 A 61 GLU CA C 13 55.049 0.100 A 61 GLU CB C 13 29.724 0.100 A 61 GLU CG C 13 35.649 0.100 A 61 GLU N N 15 114.493 0.100 A 62 HIS H H 1 7.830 0.020 A 62 HIS HA H 1 4.264 0.020 A 62 HIS HBx H 1 3.448 0.020 A 62 HIS HBy H 1 3.541 0.020 A 62 HIS HD2 H 1 7.261 0.020 A 62 HIS HE1 H 1 8.436 0.020 A 62 HIS C C 13 173.916 0.100 A 62 HIS CA C 13 56.531 0.100 A 62 HIS CB C 13 26.039 0.100 A 62 HIS CD2 C 13 119.749 0.100 A 62 HIS CE1 C 13 136.156 0.100 A 62 HIS N N 15 115.130 0.100 A 62 HIS ND1 N 15 182.997 0.100 A 62 HIS NE2 N 15 175.409 0.100 A 63 ASP H H 1 8.521 0.020 A 63 ASP HA H 1 4.854 0.020 A 63 ASP HBy H 1 3.029 0.020 A 63 ASP HBx H 1 2.607 0.020 A 63 ASP C C 13 176.143 0.100 A 63 ASP CA C 13 52.127 0.100 A 63 ASP CB C 13 40.068 0.100 A 63 ASP N N 15 118.507 0.100 A 64 THR H H 1 7.907 0.020 A 64 THR HA H 1 3.869 0.020 A 64 THR HB H 1 4.108 0.020 A 64 THR HG2% H 1 1.207 0.020 A 64 THR C C 13 176.814 0.100 A 64 THR CA C 13 65.198 0.100 A 64 THR CB C 13 68.315 0.100 A 64 THR CG2 C 13 21.854 0.100 A 64 THR N N 15 119.037 0.100 A 65 ASP H H 1 8.375 0.020 A 65 ASP HA H 1 4.287 0.020 A 65 ASP HBx H 1 2.455 0.020 A 65 ASP HBy H 1 2.608 0.020 A 65 ASP C C 13 178.326 0.100 A 65 ASP CA C 13 57.350 0.100 A 65 ASP CB C 13 41.121 0.100 A 65 ASP N N 15 122.892 0.100 A 66 GLY H H 1 8.234 0.020 A 66 GLY HAy H 1 2.722 0.020 A 66 GLY HAx H 1 1.567 0.020 A 66 GLY C C 13 175.861 0.100 A 66 GLY CA C 13 46.136 0.100 A 66 GLY N N 15 109.334 0.100 A 67 ALA H H 1 7.949 0.020 A 67 ALA HA H 1 3.892 0.020 A 67 ALA HB% H 1 1.476 0.020 A 67 ALA C C 13 179.384 0.100 A 67 ALA CA C 13 55.960 0.100 A 67 ALA CB C 13 18.611 0.100 A 67 ALA N N 15 122.888 0.100 A 68 ARG H H 1 7.917 0.020 A 68 ARG HA H 1 3.993 0.020 A 68 ARG HB2 H 1 1.912 0.020 A 68 ARG HB3 H 1 1.912 0.020 A 68 ARG HD2 H 1 3.177 0.020 A 68 ARG HD3 H 1 3.177 0.020 A 68 ARG HGy H 1 1.757 0.020 A 68 ARG HGx H 1 1.571 0.020 A 68 ARG C C 13 179.355 0.100 A 68 ARG CA C 13 59.234 0.100 A 68 ARG CB C 13 29.799 0.100 A 68 ARG CD C 13 43.233 0.100 A 68 ARG CG C 13 27.434 0.100 A 68 ARG N N 15 118.221 0.100 A 69 ARG H H 1 7.749 0.020 A 69 ARG HA H 1 3.923 0.020 A 69 ARG HBy H 1 1.590 0.020 A 69 ARG HBx H 1 1.528 0.020 A 69 ARG HDy H 1 3.028 0.020 A 69 ARG HDx H 1 2.809 0.020 A 69 ARG HGy H 1 1.591 0.020 A 69 ARG HGx H 1 1.432 0.020 A 69 ARG C C 13 179.120 0.100 A 69 ARG CA C 13 59.310 0.100 A 69 ARG CB C 13 29.189 0.100 A 69 ARG CD C 13 43.253 0.100 A 69 ARG CG C 13 27.725 0.100 A 69 ARG N N 15 120.551 0.100 A 70 ALA H H 1 8.245 0.020 A 70 ALA HA H 1 4.016 0.020 A 70 ALA HB% H 1 1.588 0.020 A 70 ALA C C 13 178.438 0.100 A 70 ALA CA C 13 55.536 0.100 A 70 ALA CB C 13 17.216 0.100 A 70 ALA N N 15 121.098 0.100 A 71 ALA H H 1 8.565 0.020 A 71 ALA HA H 1 4.047 0.020 A 71 ALA HB% H 1 1.509 0.020 A 71 ALA C C 13 180.219 0.100 A 71 ALA CA C 13 55.083 0.100 A 71 ALA CB C 13 18.198 0.100 A 71 ALA N N 15 119.333 0.100 A 72 LYS H H 1 8.108 0.020 A 72 LYS HA H 1 4.107 0.020 A 72 LYS HBy H 1 1.993 0.020 A 72 LYS HBx H 1 1.874 0.020 A 72 LYS HD2 H 1 1.715 0.020 A 72 LYS HD3 H 1 1.715 0.020 A 72 LYS HE2 H 1 2.957 0.020 A 72 LYS HE3 H 1 2.957 0.020 A 72 LYS HGy H 1 1.442 0.020 A 72 LYS HGx H 1 1.369 0.020 A 72 LYS C C 13 179.155 0.100 A 72 LYS CA C 13 59.271 0.100 A 72 LYS CB C 13 31.786 0.100 A 72 LYS CD C 13 29.182 0.100 A 72 LYS CE C 13 42.091 0.100 A 72 LYS CG C 13 24.563 0.100 A 72 LYS N N 15 121.188 0.100 A 73 SER H H 1 8.057 0.020 A 73 SER HA H 1 3.957 0.020 A 73 SER HBy H 1 2.987 0.020 A 73 SER HBx H 1 2.560 0.020 A 73 SER C C 13 176.394 0.100 A 73 SER CA C 13 62.753 0.100 A 73 SER CB C 13 60.718 0.100 A 73 SER N N 15 116.976 0.100 A 74 LEU H H 1 8.341 0.020 A 74 LEU HA H 1 3.831 0.020 A 74 LEU HBy H 1 1.800 0.020 A 74 LEU HBx H 1 1.701 0.020 A 74 LEU HDx% H 1 0.872 0.020 A 74 LEU HDy% H 1 1.056 0.020 A 74 LEU HG H 1 1.579 0.020 A 74 LEU C C 13 176.704 0.100 A 74 LEU CA C 13 58.545 0.100 A 74 LEU CB C 13 41.862 0.100 A 74 LEU CD1 C 13 25.025 0.100 A 74 LEU CD2 C 13 26.021 0.100 A 74 LEU CG C 13 27.298 0.100 A 74 LEU N N 15 123.741 0.100 A 75 SER H H 1 8.055 0.020 A 75 SER HA H 1 4.277 0.020 A 75 SER HB2 H 1 4.069 0.020 A 75 SER HB3 H 1 4.069 0.020 A 75 SER C C 13 177.668 0.100 A 75 SER CA C 13 61.926 0.100 A 75 SER CB C 13 62.702 0.100 A 75 SER N N 15 113.508 0.100 A 76 GLU H H 1 7.874 0.020 A 76 GLU HA H 1 4.041 0.020 A 76 GLU HBy H 1 2.107 0.020 A 76 GLU HBx H 1 1.999 0.020 A 76 GLU HGx H 1 2.202 0.020 A 76 GLU HGy H 1 2.480 0.020 A 76 GLU C C 13 178.836 0.100 A 76 GLU CA C 13 58.928 0.100 A 76 GLU CB C 13 29.684 0.100 A 76 GLU CG C 13 36.289 0.100 A 76 GLU N N 15 119.999 0.100 A 77 ALA H H 1 8.043 0.020 A 77 ALA HA H 1 4.242 0.020 A 77 ALA HB% H 1 1.471 0.020 A 77 ALA C C 13 180.005 0.100 A 77 ALA CA C 13 55.031 0.100 A 77 ALA CB C 13 18.237 0.100 A 77 ALA N N 15 123.551 0.100 A 78 TYR H H 1 8.699 0.020 A 78 TYR HA H 1 4.418 0.020 A 78 TYR HB2 H 1 3.047 0.020 A 78 TYR HB3 H 1 3.175 0.020 A 78 TYR HD1 H 1 7.133 0.020 A 78 TYR HD2 H 1 7.133 0.020 A 78 TYR HE1 H 1 6.800 0.020 A 78 TYR HE2 H 1 6.800 0.020 A 78 TYR C C 13 178.901 0.100 A 78 TYR CA C 13 60.302 0.100 A 78 TYR CB C 13 37.416 0.100 A 78 TYR CD1 C 13 132.160 0.100 A 78 TYR CD2 C 13 132.160 0.100 A 78 TYR CE1 C 13 117.886 0.100 A 78 TYR CE2 C 13 117.886 0.100 A 78 TYR N N 15 116.371 0.100 A 79 GLN H H 1 7.667 0.020 A 79 GLN HA H 1 4.212 0.020 A 79 GLN HB2 H 1 2.229 0.020 A 79 GLN HB3 H 1 2.229 0.020 A 79 GLN HE21 H 1 7.439 0.020 A 79 GLN HE22 H 1 6.870 0.020 A 79 GLN HGy H 1 2.629 0.020 A 79 GLN HGx H 1 2.465 0.020 A 79 GLN C C 13 177.778 0.100 A 79 GLN CA C 13 57.922 0.100 A 79 GLN CB C 13 28.659 0.100 A 79 GLN CG C 13 34.124 0.100 A 79 GLN N N 15 116.649 0.100 A 79 GLN NE2 N 15 111.896 0.100 A 80 LYS H H 1 7.766 0.020 A 80 LYS HA H 1 4.293 0.020 A 80 LYS HB2 H 1 2.074 0.020 A 80 LYS HB3 H 1 2.074 0.020 A 80 LYS HD2 H 1 1.739 0.020 A 80 LYS HD3 H 1 1.739 0.020 A 80 LYS HE2 H 1 3.003 0.020 A 80 LYS HE3 H 1 3.003 0.020 A 80 LYS HGy H 1 1.642 0.020 A 80 LYS HGx H 1 1.519 0.020 A 80 LYS C C 13 178.038 0.100 A 80 LYS CA C 13 57.474 0.100 A 80 LYS CB C 13 32.816 0.100 A 80 LYS CD C 13 29.033 0.100 A 80 LYS CE C 13 42.043 0.100 A 80 LYS CG C 13 24.961 0.100 A 80 LYS N N 15 118.855 0.100 A 81 VAL H H 1 7.821 0.020 A 81 VAL HA H 1 4.076 0.020 A 81 VAL HB H 1 2.239 0.020 A 81 VAL HGx% H 1 0.999 0.020 A 81 VAL HGy% H 1 1.048 0.020 A 81 VAL C C 13 176.805 0.100 A 81 VAL CA C 13 63.409 0.100 A 81 VAL CB C 13 32.423 0.100 A 81 VAL CG1 C 13 21.293 0.100 A 81 VAL CG2 C 13 21.480 0.100 A 81 VAL N N 15 117.863 0.100 A 82 GLU H H 1 8.329 0.020 A 82 GLU HA H 1 4.277 0.020 A 82 GLU HBy H 1 2.095 0.020 A 82 GLU HBx H 1 2.051 0.020 A 82 GLU HGy H 1 2.364 0.020 A 82 GLU HGx H 1 2.314 0.020 A 82 GLU C C 13 177.559 0.100 A 82 GLU CA C 13 57.300 0.100 A 82 GLU CB C 13 29.927 0.100 A 82 GLU CG C 13 36.109 0.100 A 82 GLU N N 15 122.552 0.100 A 83 GLY H H 1 8.309 0.020 A 83 GLY HA2 H 1 4.050 0.020 A 83 GLY HA3 H 1 4.050 0.020 A 83 GLY C C 13 174.590 0.100 A 83 GLY CA C 13 45.530 0.100 A 83 GLY N N 15 109.040 0.100 A 84 SER H H 1 8.180 0.020 A 84 SER HA H 1 4.495 0.020 A 84 SER HBy H 1 3.976 0.020 A 84 SER HBx H 1 3.921 0.020 A 84 SER C C 13 175.217 0.100 A 84 SER CA C 13 58.580 0.100 A 84 SER CB C 13 63.827 0.100 A 84 SER N N 15 115.258 0.100 A 85 GLY H H 1 8.472 0.020 A 85 GLY HA2 H 1 3.982 0.020 A 85 GLY HA3 H 1 3.982 0.020 A 85 GLY C C 13 174.063 0.100 A 85 GLY CA C 13 45.395 0.100 A 85 GLY N N 15 110.681 0.100 A 86 ASP H H 1 8.272 0.020 A 86 ASP HA H 1 4.597 0.020 A 86 ASP HBy H 1 2.714 0.020 A 86 ASP HBx H 1 2.630 0.020 A 86 ASP C C 13 176.761 0.100 A 86 ASP CA C 13 54.451 0.100 A 86 ASP CB C 13 41.069 0.100 A 86 ASP N N 15 120.537 0.100 A 87 LYS H H 1 8.344 0.020 A 87 LYS HA H 1 4.246 0.020 A 87 LYS HBy H 1 1.877 0.020 A 87 LYS HBx H 1 1.778 0.020 A 87 LYS HD2 H 1 1.676 0.020 A 87 LYS HD3 H 1 1.676 0.020 A 87 LYS HE2 H 1 2.950 0.020 A 87 LYS HE3 H 1 2.950 0.020 A 87 LYS HG2 H 1 1.424 0.020 A 87 LYS HG3 H 1 1.424 0.020 A 87 LYS C C 13 177.342 0.100 A 87 LYS CA C 13 56.545 0.100 A 87 LYS CB C 13 32.302 0.100 A 87 LYS CD C 13 28.974 0.100 A 87 LYS CE C 13 41.954 0.100 A 87 LYS CG C 13 24.583 0.100 A 87 LYS N N 15 121.608 0.100 A 88 GLY H H 1 8.449 0.020 A 88 GLY HA2 H 1 3.927 0.020 A 88 GLY HA3 H 1 3.927 0.020 A 88 GLY C C 13 174.216 0.100 A 88 GLY CA C 13 45.339 0.100 A 88 GLY N N 15 108.711 0.100 A 89 LYS H H 1 7.958 0.020 A 89 LYS HA H 1 4.266 0.020 A 89 LYS HBy H 1 1.739 0.020 A 89 LYS HBx H 1 1.698 0.020 A 89 LYS HD2 H 1 1.647 0.020 A 89 LYS HD3 H 1 1.647 0.020 A 89 LYS HE2 H 1 2.950 0.020 A 89 LYS HE3 H 1 2.950 0.020 A 89 LYS HGx H 1 1.294 0.020 A 89 LYS HGy H 1 1.373 0.020 A 89 LYS C C 13 176.464 0.100 A 89 LYS CA C 13 56.214 0.100 A 89 LYS CB C 13 32.824 0.100 A 89 LYS CD C 13 29.028 0.100 A 89 LYS CE C 13 42.095 0.100 A 89 LYS CG C 13 24.593 0.100 A 89 LYS N N 15 120.508 0.100 A 90 ILE H H 1 8.005 0.020 A 90 ILE HA H 1 4.091 0.020 A 90 ILE HB H 1 1.750 0.020 A 90 ILE HD1% H 1 0.795 0.020 A 90 ILE HG1y H 1 1.349 0.020 A 90 ILE HG1x H 1 1.097 0.020 A 90 ILE HG2% H 1 0.755 0.020 A 90 ILE C C 13 175.896 0.100 A 90 ILE CA C 13 61.022 0.100 A 90 ILE CB C 13 38.488 0.100 A 90 ILE CD1 C 13 12.741 0.100 A 90 ILE CG1 C 13 27.059 0.100 A 90 ILE CG2 C 13 17.290 0.100 A 90 ILE N N 15 121.127 0.100 A 91 PHE H H 1 8.283 0.020 A 91 PHE HA H 1 4.615 0.020 A 91 PHE HBy H 1 3.127 0.020 A 91 PHE HBx H 1 2.976 0.020 A 91 PHE HD1 H 1 7.245 0.020 A 91 PHE HD2 H 1 7.245 0.020 A 91 PHE HE1 H 1 7.325 0.020 A 91 PHE HE2 H 1 7.325 0.020 A 91 PHE C C 13 175.327 0.100 A 91 PHE CA C 13 57.565 0.100 A 91 PHE CB C 13 39.457 0.100 A 91 PHE CD1 C 13 131.667 0.100 A 91 PHE CD2 C 13 131.667 0.100 A 91 PHE CE1 C 13 131.498 0.100 A 91 PHE CE2 C 13 131.498 0.100 A 91 PHE N N 15 123.843 0.100 A 92 GLN H H 1 8.212 0.020 A 92 GLN HA H 1 4.296 0.020 A 92 GLN HBy H 1 2.030 0.020 A 92 GLN HBx H 1 1.933 0.020 A 92 GLN HE2y H 1 7.533 0.020 A 92 GLN HE2x H 1 6.836 0.020 A 92 GLN HG2 H 1 2.281 0.020 A 92 GLN HG3 H 1 2.281 0.020 A 92 GLN C C 13 175.338 0.100 A 92 GLN CA C 13 55.492 0.100 A 92 GLN CB C 13 29.708 0.100 A 92 GLN CG C 13 33.515 0.100 A 92 GLN N N 15 122.349 0.100 A 92 GLN NE2 N 15 112.181 0.100 A 93 LYS H H 1 8.364 0.020 A 93 LYS HA H 1 4.250 0.020 A 93 LYS HBy H 1 1.810 0.020 A 93 LYS HBx H 1 1.722 0.020 A 93 LYS HD2 H 1 1.681 0.020 A 93 LYS HD3 H 1 1.681 0.020 A 93 LYS HE2 H 1 2.993 0.020 A 93 LYS HE3 H 1 2.993 0.020 A 93 LYS HG2 H 1 1.428 0.020 A 93 LYS HG3 H 1 1.428 0.020 A 93 LYS C C 13 176.492 0.100 A 93 LYS CA C 13 56.272 0.100 A 93 LYS CB C 13 33.055 0.100 A 93 LYS CD C 13 29.040 0.100 A 93 LYS CE C 13 42.011 0.100 A 93 LYS CG C 13 24.619 0.100 A 93 LYS N N 15 123.137 0.100 A 94 GLU H H 1 8.571 0.020 A 94 GLU HA H 1 4.246 0.020 A 94 GLU HBx H 1 1.959 0.020 A 94 GLU HBy H 1 2.040 0.020 A 94 GLU HG2 H 1 2.267 0.020 A 94 GLU HG3 H 1 2.267 0.020 A 94 GLU C C 13 177.008 0.100 A 94 GLU CA C 13 56.848 0.100 A 94 GLU CB C 13 30.054 0.100 A 94 GLU CG C 13 35.974 0.100 A 94 GLU N N 15 122.671 0.100 A 95 GLY H H 1 8.490 0.020 A 95 GLY HAy H 1 4.007 0.020 A 95 GLY HAx H 1 3.897 0.020 A 95 GLY C C 13 174.070 0.100 A 95 GLY CA C 13 45.191 0.100 A 95 GLY N N 15 110.337 0.100 A 96 GLU H H 1 8.142 0.020 A 96 GLU HA H 1 4.339 0.020 A 96 GLU HBy H 1 2.063 0.020 A 96 GLU HBx H 1 1.930 0.020 A 96 GLU HG2 H 1 2.233 0.020 A 96 GLU HG3 H 1 2.233 0.020 A 96 GLU C C 13 176.463 0.100 A 96 GLU CA C 13 56.204 0.100 A 96 GLU CB C 13 30.433 0.100 A 96 GLU CG C 13 36.249 0.100 A 96 GLU N N 15 120.183 0.100 A 97 SER H H 1 8.381 0.020 A 97 SER HA H 1 4.472 0.020 A 97 SER HB2 H 1 3.820 0.020 A 97 SER HB3 H 1 3.820 0.020 A 97 SER C C 13 174.162 0.100 A 97 SER CA C 13 58.070 0.100 A 97 SER CB C 13 63.710 0.100 A 97 SER N N 15 116.979 0.100 A 98 ILE H H 1 8.216 0.020 A 98 ILE HA H 1 4.201 0.020 A 98 ILE HB H 1 1.865 0.020 A 98 ILE HD1% H 1 0.835 0.020 A 98 ILE HG1y H 1 1.430 0.020 A 98 ILE HG1x H 1 1.159 0.020 A 98 ILE HG2% H 1 0.883 0.020 A 98 ILE C C 13 175.921 0.100 A 98 ILE CA C 13 60.947 0.100 A 98 ILE CB C 13 38.616 0.100 A 98 ILE CD1 C 13 12.883 0.100 A 98 ILE CG1 C 13 27.007 0.100 A 98 ILE CG2 C 13 17.520 0.100 A 98 ILE N N 15 122.626 0.100 A 99 LEU H H 1 8.326 0.020 A 99 LEU HA H 1 4.399 0.020 A 99 LEU HB2 H 1 1.603 0.020 A 99 LEU HB3 H 1 1.603 0.020 A 99 LEU HDx% H 1 0.902 0.020 A 99 LEU HDy% H 1 0.842 0.020 A 99 LEU HG H 1 1.601 0.020 A 99 LEU C C 13 176.093 0.100 A 99 LEU CA C 13 54.853 0.100 A 99 LEU CB C 13 42.135 0.100 A 99 LEU CD1 C 13 24.905 0.100 A 99 LEU CD2 C 13 23.400 0.100 A 99 LEU CG C 13 26.798 0.100 A 99 LEU N N 15 126.765 0.100 A 100 GLU H H 1 7.876 0.020 A 100 GLU HA H 1 4.096 0.020 A 100 GLU HBx H 1 1.865 0.020 A 100 GLU HBy H 1 2.018 0.020 A 100 GLU HG2 H 1 2.167 0.020 A 100 GLU HG3 H 1 2.167 0.020 A 100 GLU C C 13 180.861 0.100 A 100 GLU CA C 13 57.855 0.100 A 100 GLU CB C 13 31.211 0.100 A 100 GLU CG C 13 36.547 0.100 A 100 GLU N N 15 126.946 0.100 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 ASP H A 6 GLU H 1.0 0.0 3.96 2 2 A 5 ASP H A 3 SER HBy 1.0 0.0 5.35 3 3 A 5 ASP H A 4 PRO HDx 1.0 0.0 4.85 4 4 A 5 ASP H A 4 PRO HBy 1.0 0.0 4.42 5 5 A 5 ASP H A 4 PRO HGx 1.0 0.0 4.88 6 6 A 6 GLU H A 6 GLU HGy 1.0 0.0 4.91 7 7 A 4 PRO HA A 7 ASN HD21 1.0 0.0 4.75 8 8 A 7 ASN H A 8 ILE H 1.0 0.0 4.29 9 9 A 6 GLU H A 7 ASN H 1.0 0.0 3.89 10 10 A 4 PRO HA A 7 ASN H 1.0 0.0 4.58 11 11 A 7 ASN H A 6 GLU HBy 1.0 0.0 4.36 12 12 A 9 ALA HB% A 10 LYS H 1.0 0.0 3.99 13 13 A 90 ILE HA A 91 PHE H 1.0 0.0 3.40 14 14 A 91 PHE H A 91 PHE HBy 1.0 0.0 4.38 15 15 A 91 PHE H A 91 PHE HBx 1.0 0.0 4.38 16 16 A 91 PHE H A 90 ILE HB 1.0 0.0 4.44 17 17 A 91 PHE H A 90 ILE HG2% 1.0 0.0 4.60 18 18 A 91 PHE HA A 92 GLN H 1.0 0.0 3.61 19 19 A 97 SER HA A 98 ILE H 1.0 0.0 3.51 20 20 A 98 ILE H A 98 ILE HB 1.0 0.0 4.20 21 21 A 92 GLN HA A 93 LYS H 1.0 0.0 3.53 22 22 A 74 LEU H A 74 LEU HBy 1.0 0.0 3.71 23 23 A 14 ALA H A 15 TYR H 1.0 0.0 4.24 24 24 A 14 ALA H A 13 LYS H 1.0 0.0 3.65 25 25 A 14 ALA H A 13 LYS HB2 1.0 0.0 3.60 26 25 A 14 ALA H A 13 LYS HB3 1.0 0.0 3.60 27 26 A 14 ALA H A 14 ALA HB% 1.0 0.0 3.22 28 27 A 11 PHE H A 12 GLU H 1.0 0.0 4.69 29 28 A 10 LYS H A 11 PHE H 1.0 0.0 4.19 30 29 A 11 PHE H A 11 PHE HD% 1.0 0.0 4.85 31 30 A 11 PHE H A 8 ILE HA 1.0 0.0 4.99 32 31 A 11 PHE H A 10 LYS HBx 1.0 0.0 4.56 33 32 A 9 ALA HB% A 11 PHE H 1.0 0.0 5.53 34 33 A 11 PHE H A 10 LYS HD2 1.0 0.0 5.97 35 33 A 11 PHE H A 10 LYS HD3 1.0 0.0 5.97 36 34 A 19 GLU H A 20 GLU H 1.0 0.0 4.20 37 35 A 20 GLU H A 21 LEU H 1.0 0.0 4.23 38 36 A 20 GLU H A 20 GLU HBy 1.0 0.0 4.05 39 37 A 20 GLU H A 20 GLU HGx 1.0 0.0 4.38 40 38 A 20 GLU H A 20 GLU HBx 1.0 0.0 4.05 41 39 A 15 TYR H A 16 LYS H 1.0 0.0 4.64 42 40 A 16 LYS H A 12 GLU HA 1.0 0.0 4.85 43 41 A 16 LYS H A 13 LYS HA 1.0 0.0 5.05 44 42 A 16 LYS H A 15 TYR HB3 1.0 0.0 4.02 45 43 A 16 LYS H A 15 TYR HB2 1.0 0.0 4.56 46 44 A 16 LYS H A 16 LYS HB2 1.0 0.0 3.46 47 44 A 16 LYS H A 16 LYS HB3 1.0 0.0 3.46 48 45 A 16 LYS H A 16 LYS HGy 1.0 0.0 4.74 49 46 A 75 SER H A 76 GLU H 1.0 0.0 3.56 50 47 A 17 LYS H A 17 LYS HG2 1.0 0.0 4.94 51 47 A 17 LYS H A 17 LYS HG3 1.0 0.0 4.94 52 48 A 19 GLU H A 18 ALA H 1.0 0.0 3.96 53 49 A 19 GLU H A 16 LYS HA 1.0 0.0 4.49 54 50 A 19 GLU H A 19 GLU HBy 1.0 0.0 3.77 55 51 A 19 GLU H A 19 GLU HBx 1.0 0.0 3.77 56 52 A 19 GLU H A 18 ALA HB% 1.0 0.0 3.93 57 53 A 76 GLU H A 75 SER HB2 1.0 0.0 3.53 58 53 A 76 GLU H A 75 SER HB3 1.0 0.0 3.53 59 54 A 76 GLU H A 76 GLU HGy 1.0 0.0 4.13 60 55 A 76 GLU H A 76 GLU HBy 1.0 0.0 3.70 61 56 A 21 LEU H A 22 ASN H 1.0 0.0 4.79 62 57 A 23 GLN HE21 A 23 GLN HB2 1.0 0.0 5.10 63 57 A 23 GLN HB3 A 23 GLN HE21 1.0 0.0 5.10 64 58 A 23 GLN HE21 A 21 LEU HB2 1.0 0.0 5.13 65 58 A 23 GLN HE21 A 21 LEU HB3 1.0 0.0 5.13 66 59 A 23 GLN HE21 A 21 LEU HDx% 1.0 0.0 4.91 67 60 A 22 ASN H A 23 GLN H 1.0 0.0 4.05 68 61 A 23 GLN H A 22 ASN HA 1.0 0.0 3.72 69 62 A 23 GLN H A 23 GLN HGx 1.0 0.0 4.33 70 63 A 23 GLN H A 23 GLN HB2 1.0 0.0 3.50 71 63 A 23 GLN HB3 A 23 GLN H 1.0 0.0 3.50 72 64 A 23 GLN H A 21 LEU HB2 1.0 0.0 4.57 73 64 A 21 LEU HB3 A 23 GLN H 1.0 0.0 4.57 74 65 A 18 ALA HB% A 23 GLN H 1.0 0.0 4.50 75 66 A 24 GLY H A 25 GLU H 1.0 0.0 4.81 76 67 A 24 GLY H A 23 GLN HA 1.0 0.0 3.39 77 68 A 24 GLY H A 23 GLN HB2 1.0 0.0 4.80 78 68 A 23 GLN HB3 A 24 GLY H 1.0 0.0 4.80 79 69 A 27 MET H A 28 GLY H 1.0 0.0 3.96 80 70 A 27 MET H A 26 LEU H 1.0 0.0 4.17 81 71 A 27 MET H A 24 GLY HA2 1.0 0.0 4.76 82 72 A 27 MET H A 27 MET HB2 1.0 0.0 3.70 83 73 A 27 MET H A 27 MET HGy 1.0 0.0 4.40 84 74 A 27 MET H A 27 MET HB3 1.0 0.0 3.99 85 75 A 27 MET H A 27 MET HGx 1.0 0.0 4.40 86 76 A 27 MET H A 26 LEU HBy 1.0 0.0 4.48 87 77 A 18 ALA HB% A 27 MET H 1.0 0.0 3.92 88 78 A 27 MET H A 26 LEU HBx 1.0 0.0 4.48 89 79 A 27 MET H A 57 VAL HGx% 1.0 0.0 4.98 90 80 A 36 LEU H A 37 GLU H 1.0 0.0 3.95 91 81 A 29 ARG H A 30 ALA H 1.0 0.0 4.17 92 82 A 30 ALA H A 29 ARG HB2 1.0 0.0 3.97 93 82 A 30 ALA H A 29 ARG HB3 1.0 0.0 3.97 94 83 A 30 ALA H A 30 ALA HB% 1.0 0.0 3.51 95 84 A 47 ALA H A 48 ILE H 1.0 0.0 3.91 96 85 A 30 ALA H A 31 LEU H 1.0 0.0 3.80 97 86 A 31 LEU H A 28 GLY HA2 1.0 0.0 4.80 98 87 A 31 LEU H A 31 LEU HG 1.0 0.0 3.28 99 88 A 30 ALA HB% A 31 LEU H 1.0 0.0 3.39 100 89 A 31 LEU H A 31 LEU HB2 1.0 0.0 4.08 101 90 A 48 ILE H A 48 ILE HG1x 1.0 0.0 4.11 102 91 A 32 TYR H A 33 ASN H 1.0 0.0 3.72 103 92 A 31 LEU H A 32 TYR H 1.0 0.0 3.64 104 93 A 32 TYR H A 32 TYR HD% 1.0 0.0 4.79 105 94 A 32 TYR H A 29 ARG HA 1.0 0.0 4.41 106 95 A 32 TYR H A 32 TYR HB2 1.0 0.0 3.68 107 96 A 32 TYR H A 31 LEU HB3 1.0 0.0 3.94 108 97 A 31 LEU HB2 A 32 TYR H 1.0 0.0 3.49 109 98 A 32 TYR H A 31 LEU HDx% 1.0 0.0 5.25 110 99 A 30 ALA HA A 33 ASN HD22 1.0 0.0 5.15 111 99 A 30 ALA HA A 33 ASN HD21 1.0 0.0 5.15 112 100 A 30 ALA HB% A 33 ASN HD22 1.0 0.0 5.44 113 100 A 30 ALA HB% A 33 ASN HD21 1.0 0.0 5.44 114 101 A 33 ASN H A 33 ASN HD22 1.0 0.0 5.07 115 101 A 33 ASN H A 33 ASN HD21 1.0 0.0 5.07 116 102 A 33 ASN H A 29 ARG HA 1.0 0.0 4.48 117 103 A 33 ASN H A 30 ALA HA 1.0 0.0 4.75 118 104 A 33 ASN H A 32 TYR HB3 1.0 0.0 3.99 119 105 A 33 ASN H A 33 ASN HB2 1.0 0.0 3.98 120 105 A 33 ASN H A 33 ASN HB3 1.0 0.0 3.98 121 106 A 71 ALA H A 72 LYS H 1.0 0.0 3.63 122 107 A 34 ILE H A 35 GLY H 1.0 0.0 4.02 123 108 A 72 LYS H A 72 LYS HBy 1.0 0.0 3.48 124 109 A 34 ILE H A 34 ILE HB 1.0 0.0 3.77 125 110 A 34 ILE H A 34 ILE HG2% 1.0 0.0 4.55 126 111 A 41 MET H A 42 GLY H 1.0 0.0 3.59 127 112 A 35 GLY H A 32 TYR HA 1.0 0.0 4.75 128 113 A 42 GLY H A 40 LYS HA 1.0 0.0 5.29 129 114 A 35 GLY H A 50 TYR HB2 1.0 0.0 4.95 130 115 A 35 GLY H A 34 ILE HB 1.0 0.0 4.00 131 116 A 35 GLY H A 34 ILE HG2% 1.0 0.0 4.67 132 117 A 36 LEU H A 35 GLY H 1.0 0.0 4.14 133 118 A 36 LEU H A 36 LEU HB2 1.0 0.0 3.76 134 119 A 36 LEU H A 36 LEU HG 1.0 0.0 3.51 135 120 A 37 GLU H A 38 LYS H 1.0 0.0 3.76 136 121 A 37 GLU H A 34 ILE HA 1.0 0.0 4.54 137 122 A 37 GLU H A 37 GLU HGy 1.0 0.0 4.28 138 123 A 37 GLU H A 36 LEU HB2 1.0 0.0 3.55 139 124 A 69 ARG H A 69 ARG HBy 1.0 0.0 3.73 140 125 A 37 GLU H A 36 LEU HB3 1.0 0.0 4.41 141 126 A 37 GLU H A 36 LEU HDx% 1.0 0.0 5.20 142 127 A 37 GLU H A 36 LEU HDy% 1.0 0.0 5.73 143 128 A 63 ASP H A 63 ASP HBy 1.0 0.0 4.05 144 129 A 63 ASP H A 63 ASP HBx 1.0 0.0 4.05 145 130 A 38 LYS H A 37 GLU HBx 1.0 0.0 4.80 146 131 A 38 LYS H A 38 LYS HGy 1.0 0.0 4.63 147 132 A 38 LYS H A 38 LYS HDx 1.0 0.0 5.28 148 133 A 38 LYS H A 47 ALA HB% 1.0 0.0 4.94 149 134 A 38 LYS H A 38 LYS HGx 1.0 0.0 4.63 150 135 A 34 ILE HG2% A 38 LYS H 1.0 0.0 4.98 151 136 A 36 LEU HA A 39 ASN HD21 1.0 0.0 5.00 152 137 A 36 LEU HDy% A 39 ASN HD21 1.0 0.0 5.23 153 138 A 38 LYS H A 39 ASN H 1.0 0.0 3.73 154 139 A 39 ASN H A 40 LYS H 1.0 0.0 3.86 155 140 A 36 LEU HA A 39 ASN H 1.0 0.0 4.45 156 141 A 39 ASN H A 39 ASN HB3 1.0 0.0 3.76 157 142 A 39 ASN H A 39 ASN HB2 1.0 0.0 3.51 158 143 A 47 ALA HB% A 39 ASN H 1.0 0.0 3.90 159 144 A 40 LYS H A 39 ASN HB3 1.0 0.0 3.98 160 145 A 40 LYS H A 40 LYS HGy 1.0 0.0 4.73 161 146 A 40 LYS H A 40 LYS HD2 1.0 0.0 5.12 162 146 A 40 LYS H A 40 LYS HD3 1.0 0.0 5.12 163 147 A 40 LYS H A 40 LYS HGx 1.0 0.0 4.73 164 148 A 41 MET H A 40 LYS H 1.0 0.0 3.51 165 149 A 41 MET H A 38 LYS HA 1.0 0.0 4.67 166 150 A 41 MET H A 41 MET HGy 1.0 0.0 4.34 167 151 A 41 MET H A 41 MET HBy 1.0 0.0 4.13 168 152 A 41 MET H A 41 MET HBx 1.0 0.0 4.13 169 153 A 41 MET H A 40 LYS HBy 1.0 0.0 4.47 170 154 A 41 MET H A 40 LYS HD2 1.0 0.0 6.30 171 154 A 41 MET H A 40 LYS HD3 1.0 0.0 6.30 172 155 A 43 LYS H A 43 LYS HBy 1.0 0.0 4.19 173 156 A 43 LYS H A 43 LYS HBx 1.0 0.0 4.19 174 157 A 43 LYS H A 43 LYS HG2 1.0 0.0 3.87 175 157 A 43 LYS H A 43 LYS HG3 1.0 0.0 3.87 176 158 A 44 VAL H A 45 LYS H 1.0 0.0 3.63 177 159 A 44 VAL H A 43 LYS HA 1.0 0.0 3.29 178 160 A 44 VAL H A 44 VAL HB 1.0 0.0 3.29 179 161 A 44 VAL H A 45 LYS HD2 1.0 0.0 5.68 180 161 A 44 VAL H A 45 LYS HD3 1.0 0.0 5.68 181 162 A 44 VAL H A 43 LYS HG2 1.0 0.0 4.77 182 162 A 43 LYS HG3 A 44 VAL H 1.0 0.0 4.77 183 163 A 44 VAL H A 44 VAL HGy% 1.0 0.0 3.10 184 164 A 45 LYS H A 46 GLU H 1.0 0.0 3.49 185 165 A 45 LYS H A 43 LYS HA 1.0 0.0 4.85 186 166 A 45 LYS H A 45 LYS HB2 1.0 0.0 3.26 187 167 A 45 LYS H A 45 LYS HGy 1.0 0.0 4.49 188 168 A 45 LYS H A 45 LYS HGx 1.0 0.0 4.49 189 169 A 45 LYS H A 48 ILE HD1% 1.0 0.0 6.14 190 170 A 46 GLU H A 46 GLU HGy 1.0 0.0 4.06 191 171 A 46 GLU H A 45 LYS HB2 1.0 0.0 3.62 192 172 A 47 ALA H A 46 GLU H 1.0 0.0 3.54 193 173 A 48 ILE H A 48 ILE HB 1.0 0.0 3.31 194 174 A 48 ILE H A 44 VAL HGx% 1.0 0.0 5.06 195 175 A 48 ILE H A 49 GLU H 1.0 0.0 3.78 196 176 A 49 GLU H A 46 GLU HA 1.0 0.0 4.14 197 177 A 49 GLU H A 49 GLU HGy 1.0 0.0 4.16 198 178 A 48 ILE HB A 49 GLU H 1.0 0.0 3.69 199 179 A 49 GLU H A 49 GLU HBx 1.0 0.0 3.99 200 180 A 49 GLU H A 48 ILE HG2% 1.0 0.0 4.00 201 181 A 48 ILE HD1% A 49 GLU H 1.0 0.0 5.75 202 182 A 50 TYR H A 51 PHE H 1.0 0.0 3.75 203 183 A 49 GLU H A 50 TYR H 1.0 0.0 3.43 204 184 A 50 TYR H A 47 ALA HA 1.0 0.0 4.81 205 185 A 50 TYR H A 50 TYR HB3 1.0 0.0 4.20 206 186 A 50 TYR HB2 A 50 TYR H 1.0 0.0 3.74 207 187 A 50 TYR H A 49 GLU HBy 1.0 0.0 4.11 208 188 A 50 TYR H A 49 GLU HBx 1.0 0.0 4.11 209 189 A 49 GLU H A 51 PHE H 1.0 0.0 5.01 210 190 A 51 PHE H A 50 TYR HD% 1.0 0.0 5.46 211 191 A 51 PHE H A 51 PHE HB2 1.0 0.0 3.87 212 192 A 50 TYR HB2 A 51 PHE H 1.0 0.0 4.51 213 193 A 48 ILE HG2% A 51 PHE H 1.0 0.0 5.78 214 194 A 51 PHE H A 74 LEU HDx% 1.0 0.0 6.02 215 195 A 49 GLU HA A 52 LEU H 1.0 0.0 4.44 216 196 A 52 LEU H A 51 PHE HB3 1.0 0.0 4.54 217 197 A 51 PHE HB2 A 52 LEU H 1.0 0.0 4.17 218 198 A 52 LEU H A 52 LEU HB2 1.0 0.0 3.49 219 199 A 52 LEU H A 52 LEU HG 1.0 0.0 3.62 220 200 A 52 LEU H A 52 LEU HB3 1.0 0.0 3.96 221 201 A 52 LEU H A 52 LEU HDx% 1.0 0.0 4.45 222 202 A 52 LEU H A 53 ARG H 1.0 0.0 3.54 223 203 A 53 ARG H A 50 TYR HA 1.0 0.0 4.41 224 204 A 52 LEU HB2 A 53 ARG H 1.0 0.0 3.27 225 205 A 53 ARG H A 53 ARG HB2 1.0 0.0 3.58 226 206 A 53 ARG H A 53 ARG HGx 1.0 0.0 4.30 227 207 A 52 LEU HDx% A 53 ARG H 1.0 0.0 5.45 228 208 A 53 ARG H A 52 LEU HDy% 1.0 0.0 5.92 229 209 A 53 ARG H A 54 ALA H 1.0 0.0 3.72 230 210 A 54 ALA H A 51 PHE HA 1.0 0.0 4.68 231 211 A 32 TYR HA A 54 ALA H 1.0 0.0 6.04 232 212 A 54 ALA H A 52 LEU HA 1.0 0.0 6.30 233 213 A 54 ALA H A 53 ARG HB3 1.0 0.0 4.16 234 214 A 54 ALA H A 54 ALA HB% 1.0 0.0 3.32 235 215 A 31 LEU HDx% A 54 ALA H 1.0 0.0 4.61 236 216 A 54 ALA H A 55 LYS H 1.0 0.0 3.79 237 217 A 55 LYS H A 56 LYS H 1.0 0.0 3.86 238 218 A 52 LEU HA A 55 LYS H 1.0 0.0 4.37 239 219 A 55 LYS H A 55 LYS HB3 1.0 0.0 3.58 240 220 A 55 LYS H A 55 LYS HB2 1.0 0.0 3.50 241 221 A 54 ALA HB% A 55 LYS H 1.0 0.0 3.51 242 222 A 54 ALA H A 56 LYS H 1.0 0.0 5.13 243 223 A 56 LYS H A 58 PHE H 1.0 0.0 5.53 244 224 A 56 LYS H A 53 ARG HA 1.0 0.0 4.50 245 225 A 78 TYR HB2 A 79 GLN H 1.0 0.0 4.21 246 226 A 79 GLN H A 79 GLN HGy 1.0 0.0 4.27 247 227 A 79 GLN H A 79 GLN HB2 1.0 0.0 3.20 248 227 A 79 GLN H A 79 GLN HB3 1.0 0.0 3.20 249 228 A 56 LYS H A 56 LYS HB2 1.0 0.0 3.06 250 228 A 56 LYS H A 56 LYS HB3 1.0 0.0 3.06 251 229 A 54 ALA HB% A 56 LYS H 1.0 0.0 5.16 252 230 A 58 PHE H A 57 VAL H 1.0 0.0 3.84 253 231 A 57 VAL H A 56 LYS HB2 1.0 0.0 3.68 254 231 A 56 LYS HB3 A 57 VAL H 1.0 0.0 3.68 255 232 A 57 VAL H A 57 VAL HB 1.0 0.0 3.43 256 233 A 54 ALA HB% A 57 VAL H 1.0 0.0 5.54 257 234 A 57 VAL H A 60 ALA HB% 1.0 0.0 6.30 258 235 A 58 PHE H A 58 PHE HD% 1.0 0.0 4.81 259 236 A 58 PHE H A 58 PHE HB2 1.0 0.0 4.07 260 237 A 58 PHE H A 57 VAL HB 1.0 0.0 3.97 261 238 A 54 ALA HB% A 58 PHE H 1.0 0.0 5.53 262 239 A 58 PHE H A 60 ALA HB% 1.0 0.0 5.99 263 240 A 58 PHE H A 67 ALA HB% 1.0 0.0 6.30 264 241 A 58 PHE H A 59 ASP H 1.0 0.0 4.16 265 242 A 58 PHE HB2 A 59 ASP H 1.0 0.0 4.16 266 243 A 60 ALA HB% A 59 ASP H 1.0 0.0 5.04 267 244 A 67 ALA HB% A 59 ASP H 1.0 0.0 5.47 268 245 A 59 ASP H A 60 ALA H 1.0 0.0 3.76 269 246 A 60 ALA H A 57 VAL HA 1.0 0.0 4.24 270 247 A 60 ALA H A 59 ASP HB2 1.0 0.0 3.80 271 248 A 60 ALA H A 59 ASP HB3 1.0 0.0 4.12 272 249 A 58 PHE HA A 61 GLU H 1.0 0.0 4.89 273 250 A 61 GLU H A 61 GLU HBy 1.0 0.0 3.94 274 251 A 61 GLU H A 61 GLU HGx 1.0 0.0 4.60 275 252 A 61 GLU H A 61 GLU HBx 1.0 0.0 3.94 276 253 A 57 VAL HGx% A 61 GLU H 1.0 0.0 5.25 277 254 A 63 ASP H A 62 HIS H 1.0 0.0 3.75 278 255 A 62 HIS H A 59 ASP HA 1.0 0.0 4.37 279 256 A 62 HIS H A 61 GLU HBy 1.0 0.0 5.17 280 257 A 62 HIS H A 61 GLU HBx 1.0 0.0 5.17 281 258 A 60 ALA HB% A 62 HIS H 1.0 0.0 5.06 282 259 A 63 ASP H A 58 PHE HA 1.0 0.0 5.00 283 260 A 63 ASP H A 58 PHE HB3 1.0 0.0 5.02 284 261 A 63 ASP HA A 64 THR H 1.0 0.0 3.28 285 262 A 64 THR H A 65 ASP H 1.0 0.0 3.81 286 263 A 65 ASP H A 65 ASP HBy 1.0 0.0 3.81 287 264 A 65 ASP H A 65 ASP HBx 1.0 0.0 3.81 288 265 A 65 ASP H A 64 THR HG2% 1.0 0.0 4.99 289 266 A 65 ASP HBx A 66 GLY H 1.0 0.0 4.17 290 267 A 66 GLY H A 67 ALA H 1.0 0.0 3.59 291 268 A 58 PHE HB3 A 67 ALA H 1.0 0.0 4.05 292 269 A 58 PHE HB2 A 67 ALA H 1.0 0.0 4.48 293 270 A 68 ARG H A 68 ARG HB2 1.0 0.0 3.21 294 270 A 68 ARG H A 68 ARG HB3 1.0 0.0 3.21 295 271 A 68 ARG H A 68 ARG HGy 1.0 0.0 4.32 296 272 A 69 ARG H A 70 ALA H 1.0 0.0 3.62 297 273 A 69 ARG H A 68 ARG H 1.0 0.0 3.61 298 274 A 69 ARG H A 68 ARG HB2 1.0 0.0 3.72 299 274 A 69 ARG H A 68 ARG HB3 1.0 0.0 3.72 300 275 A 71 ALA H A 70 ALA H 1.0 0.0 3.73 301 276 A 70 ALA H A 70 ALA HB% 1.0 0.0 3.26 302 277 A 72 LYS H A 72 LYS HBx 1.0 0.0 3.48 303 278 A 72 LYS H A 71 ALA HB% 1.0 0.0 3.56 304 279 A 73 SER H A 73 SER HBy 1.0 0.0 4.29 305 280 A 73 SER H A 72 LYS HBy 1.0 0.0 4.20 306 281 A 70 ALA HB% A 73 SER H 1.0 0.0 4.99 307 282 A 73 SER H A 72 LYS HGx 1.0 0.0 5.81 308 283 A 74 LEU H A 73 SER H 1.0 0.0 3.53 309 284 A 74 LEU H A 71 ALA HA 1.0 0.0 4.00 310 285 A 74 LEU H A 73 SER HBy 1.0 0.0 4.67 311 286 A 74 LEU H A 74 LEU HG 1.0 0.0 3.90 312 287 A 74 LEU H A 74 LEU HDy% 1.0 0.0 4.76 313 288 A 74 LEU H A 74 LEU HDx% 1.0 0.0 4.59 314 289 A 74 LEU H A 75 SER H 1.0 0.0 3.59 315 290 A 75 SER H A 75 SER HB2 1.0 0.0 3.09 316 290 A 75 SER H A 75 SER HB3 1.0 0.0 3.09 317 291 A 75 SER H A 74 LEU HBx 1.0 0.0 3.89 318 292 A 75 SER H A 74 LEU HG 1.0 0.0 5.13 319 293 A 76 GLU H A 77 ALA HB% 1.0 0.0 5.00 320 294 A 76 GLU H A 77 ALA H 1.0 0.0 3.63 321 295 A 77 ALA H A 74 LEU HA 1.0 0.0 4.42 322 296 A 77 ALA H A 76 GLU HBy 1.0 0.0 4.18 323 297 A 77 ALA HB% A 77 ALA H 1.0 0.0 3.16 324 298 A 77 ALA H A 78 TYR H 1.0 0.0 3.58 325 299 A 79 GLN H A 78 TYR H 1.0 0.0 3.65 326 300 A 78 TYR H A 75 SER HA 1.0 0.0 4.43 327 301 A 78 TYR H A 78 TYR HB3 1.0 0.0 3.85 328 302 A 78 TYR HB2 A 78 TYR H 1.0 0.0 3.50 329 303 A 77 ALA HB% A 78 TYR H 1.0 0.0 3.58 330 304 A 74 LEU HDy% A 78 TYR H 1.0 0.0 6.01 331 305 A 78 TYR H A 81 VAL HGy% 1.0 0.0 5.50 332 306 A 76 GLU HA A 79 GLN HE21 1.0 0.0 4.94 333 307 A 79 GLN HE21 A 79 GLN HB2 1.0 0.0 5.45 334 307 A 79 GLN HB3 A 79 GLN HE21 1.0 0.0 5.45 335 308 A 79 GLN H A 76 GLU HA 1.0 0.0 4.26 336 309 A 79 GLN H A 78 TYR HB3 1.0 0.0 4.55 337 310 A 79 GLN H A 79 GLN HGx 1.0 0.0 4.27 338 311 A 76 GLU HA A 79 GLN HE22 1.0 0.0 5.25 339 312 A 80 LYS H A 81 VAL HA 1.0 0.0 5.34 340 313 A 80 LYS H A 79 GLN HB2 1.0 0.0 3.85 341 313 A 79 GLN HB3 A 80 LYS H 1.0 0.0 3.85 342 314 A 80 LYS H A 80 LYS HB2 1.0 0.0 3.23 343 314 A 80 LYS H A 80 LYS HB3 1.0 0.0 3.23 344 315 A 80 LYS H A 80 LYS HGy 1.0 0.0 4.39 345 316 A 80 LYS H A 80 LYS HGx 1.0 0.0 4.39 346 317 A 81 VAL HGy% A 80 LYS H 1.0 0.0 4.45 347 318 A 81 VAL H A 82 GLU H 1.0 0.0 3.71 348 319 A 81 VAL H A 78 TYR HA 1.0 0.0 4.36 349 320 A 81 VAL H A 81 VAL HB 1.0 0.0 3.51 350 321 A 81 VAL H A 80 LYS HB2 1.0 0.0 3.70 351 321 A 80 LYS HB3 A 81 VAL H 1.0 0.0 3.70 352 322 A 81 VAL HGy% A 81 VAL H 1.0 0.0 3.28 353 323 A 82 GLU H A 78 TYR HA 1.0 0.0 5.12 354 324 A 82 GLU H A 81 VAL HB 1.0 0.0 3.86 355 325 A 83 GLY H A 82 GLU HBy 1.0 0.0 5.48 356 326 A 89 LYS H A 89 LYS HGy 1.0 0.0 5.39 357 327 A 89 LYS HA A 90 ILE H 1.0 0.0 3.39 358 328 A 90 ILE H A 90 ILE HD1% 1.0 0.0 5.02 359 329 A 98 ILE HA A 99 LEU H 1.0 0.0 3.42 360 330 A 98 ILE HB A 99 LEU H 1.0 0.0 5.04 361 331 A 99 LEU H A 99 LEU HB2 1.0 0.0 3.84 362 331 A 99 LEU H A 99 LEU HB3 1.0 0.0 3.84 363 332 A 99 LEU H A 99 LEU HG 1.0 0.0 4.39 364 333 A 99 LEU H A 99 LEU HDx% 1.0 0.0 6.18 365 334 A 99 LEU H A 99 LEU HDy% 1.0 0.0 6.09 366 335 A 99 LEU HA A 100 GLU H 1.0 0.0 3.56 367 336 A 100 GLU H A 99 LEU HB2 1.0 0.0 4.96 368 336 A 99 LEU HB3 A 100 GLU H 1.0 0.0 4.96 369 337 A 99 LEU HG A 100 GLU H 1.0 0.0 5.52 370 338 A 93 LYS HA A 94 GLU H 1.0 0.0 3.45 371 339 A 94 GLU H A 94 GLU HG2 1.0 0.0 4.68 372 339 A 94 GLU H A 94 GLU HG3 1.0 0.0 4.68 373 340 A 96 GLU H A 96 GLU HG2 1.0 0.0 4.76 374 340 A 96 GLU H A 96 GLU HG3 1.0 0.0 4.76 375 341 A 97 SER H A 97 SER HB2 1.0 0.0 4.40 376 341 A 97 SER H A 97 SER HB3 1.0 0.0 4.40 377 342 A 98 ILE H A 97 SER HB2 1.0 0.0 4.70 378 342 A 98 ILE H A 97 SER HB3 1.0 0.0 4.70 379 343 A 98 ILE H A 98 ILE HG1y 1.0 0.0 4.71 380 344 A 98 ILE H A 98 ILE HG1x 1.0 0.0 4.71 381 345 A 98 ILE H A 98 ILE HG2% 1.0 0.0 4.77 382 346 A 91 PHE H A 91 PHE HD% 1.0 0.0 5.08 383 347 A 93 LYS H A 93 LYS HG2 1.0 0.0 4.92 384 347 A 93 LYS H A 93 LYS HG3 1.0 0.0 4.92 385 348 A 18 ALA H A 17 LYS HB2 1.0 0.0 4.96 386 348 A 18 ALA H A 17 LYS HB3 1.0 0.0 4.96 387 349 A 21 LEU HDx% A 23 GLN H 1.0 0.0 5.34 388 350 A 32 TYR H A 32 TYR HB3 1.0 0.0 3.77 389 351 A 35 GLY H A 51 PHE HD% 1.0 0.0 6.04 390 352 A 35 GLY H A 51 PHE HE% 1.0 0.0 6.26 391 353 A 35 GLY H A 50 TYR HD% 1.0 0.0 5.27 392 354 A 36 LEU HDy% A 39 ASN HD22 1.0 0.0 5.51 393 355 A 44 VAL HGx% A 39 ASN HD22 1.0 0.0 5.55 394 356 A 41 MET H A 43 LYS H 1.0 0.0 4.44 395 357 A 41 MET H A 39 ASN H 1.0 0.0 5.10 396 358 A 47 ALA H A 49 GLU H 1.0 0.0 5.46 397 359 A 52 LEU H A 51 PHE HD% 1.0 0.0 5.40 398 360 A 74 LEU HDx% A 55 LYS H 1.0 0.0 5.26 399 361 A 51 PHE HA A 55 LYS H 1.0 0.0 5.44 400 362 A 63 ASP H A 61 GLU H 1.0 0.0 5.31 401 363 A 63 ASP H A 61 GLU HBx 1.0 0.0 4.88 402 364 A 63 ASP H A 67 ALA HB% 1.0 0.0 5.46 403 365 A 63 ASP H A 61 GLU HBy 1.0 0.0 4.88 404 366 A 38 LYS H A 39 ASN HB2 1.0 0.0 6.30 405 367 A 63 ASP H A 58 PHE HD% 1.0 0.0 5.42 406 368 A 58 PHE HD% A 66 GLY H 1.0 0.0 5.59 407 369 A 48 ILE HD1% A 78 TYR H 1.0 0.0 4.86 408 370 A 48 ILE HG2% A 78 TYR H 1.0 0.0 5.86 409 371 A 78 TYR H A 75 SER HB2 1.0 0.0 5.95 410 371 A 75 SER HB3 A 78 TYR H 1.0 0.0 5.95 411 372 A 78 TYR H A 76 GLU HA 1.0 0.0 6.14 412 373 A 78 TYR H A 79 GLN HB2 1.0 0.0 5.17 413 373 A 79 GLN HB3 A 78 TYR H 1.0 0.0 5.17 414 374 A 80 LYS H A 82 GLU H 1.0 0.0 5.17 415 375 A 78 TYR H A 80 LYS H 1.0 0.0 5.20 416 376 A 48 ILE HD1% A 81 VAL H 1.0 0.0 5.52 417 377 A 13 LYS H A 13 LYS HD2 1.0 0.0 5.70 418 377 A 13 LYS H A 13 LYS HD3 1.0 0.0 5.70 419 378 A 13 LYS H A 13 LYS HGx 1.0 0.0 5.12 420 379 A 13 LYS H A 12 GLU HBy 1.0 0.0 4.65 421 380 A 13 LYS H A 12 GLU H 1.0 0.0 4.99 422 381 A 38 LYS H A 38 LYS HDy 1.0 0.0 5.28 423 382 A 99 LEU HDx% A 100 GLU H 1.0 0.0 5.48 424 383 A 99 LEU HDy% A 100 GLU H 1.0 0.0 6.16 425 384 A 47 ALA H A 38 LYS HBy 1.0 0.0 4.49 426 385 A 43 LYS H A 39 ASN HA 1.0 0.0 4.75 427 386 A 23 GLN H A 23 GLN HGy 1.0 0.0 4.33 428 387 A 19 GLU H A 17 LYS H 1.0 0.0 6.01 429 388 A 37 GLU H A 34 ILE HG2% 1.0 0.0 5.34 430 389 A 37 GLU H A 37 GLU HGx 1.0 0.0 4.28 431 390 A 40 LYS H A 40 LYS HBx 1.0 0.0 4.11 432 391 A 41 MET H A 40 LYS HBx 1.0 0.0 4.47 433 392 A 33 ASN H A 32 TYR HB2 1.0 0.0 4.44 434 393 A 78 TYR HB2 A 77 ALA H 1.0 0.0 5.31 435 394 A 44 VAL HGx% A 77 ALA H 1.0 0.0 5.78 436 395 A 74 LEU HDy% A 77 ALA H 1.0 0.0 6.17 437 396 A 48 ILE HD1% A 77 ALA H 1.0 0.0 5.75 438 397 A 75 SER H A 74 LEU HBy 1.0 0.0 3.89 439 398 A 38 LYS H A 8 ILE HD1% 1.0 0.0 4.90 440 399 A 31 LEU HB3 A 35 GLY H 1.0 0.0 5.96 441 400 A 35 GLY H A 33 ASN HB2 1.0 0.0 6.30 442 400 A 33 ASN HB3 A 35 GLY H 1.0 0.0 6.30 443 401 A 35 GLY H A 36 LEU HB2 1.0 0.0 6.30 444 402 A 31 LEU H A 31 LEU HDy% 1.0 0.0 4.65 445 403 A 72 LYS H A 69 ARG HA 1.0 0.0 4.19 446 404 A 53 ARG HB2 A 54 ALA H 1.0 0.0 4.03 447 405 A 31 LEU HB2 A 54 ALA H 1.0 0.0 4.55 448 406 A 5 ASP H A 4 PRO HDy 1.0 0.0 4.85 449 407 A 4 PRO HA A 7 ASN HD22 1.0 0.0 5.40 450 408 A 7 ASN H A 6 GLU HBx 1.0 0.0 4.36 451 409 A 10 LYS H A 7 ASN HA 1.0 0.0 5.32 452 410 A 14 ALA H A 11 PHE HA 1.0 0.0 4.08 453 411 A 67 ALA H A 68 ARG HB2 1.0 0.0 5.20 454 411 A 67 ALA H A 68 ARG HB3 1.0 0.0 5.20 455 412 A 67 ALA H A 63 ASP HBy 1.0 0.0 5.63 456 413 A 58 PHE HD% A 67 ALA H 1.0 0.0 5.17 457 414 A 20 GLU H A 17 LYS HA 1.0 0.0 4.97 458 415 A 19 GLU H A 17 LYS HA 1.0 0.0 5.26 459 416 A 13 LYS H A 10 LYS HA 1.0 0.0 5.06 460 417 A 50 TYR HB3 A 52 LEU H 1.0 0.0 5.21 461 418 A 16 LYS H A 16 LYS HD2 1.0 0.0 5.02 462 418 A 16 LYS H A 16 LYS HD3 1.0 0.0 5.02 463 419 A 76 GLU H A 76 GLU HGx 1.0 0.0 4.13 464 420 A 27 MET H A 26 LEU HG 1.0 0.0 4.91 465 421 A 29 ARG H A 29 ARG HGy 1.0 0.0 5.32 466 422 A 31 LEU H A 54 ALA HB% 1.0 0.0 4.67 467 423 A 48 ILE H A 45 LYS HA 1.0 0.0 4.43 468 424 A 32 TYR H A 54 ALA HB% 1.0 0.0 3.60 469 425 A 34 ILE H A 33 ASN HB2 1.0 0.0 3.91 470 425 A 33 ASN HB3 A 34 ILE H 1.0 0.0 3.91 471 426 A 34 ILE H A 31 LEU HA 1.0 0.0 5.05 472 427 A 72 LYS H A 72 LYS HGx 1.0 0.0 5.48 473 428 A 35 GLY H A 50 TYR HB3 1.0 0.0 4.35 474 429 A 42 GLY H A 39 ASN HA 1.0 0.0 4.85 475 430 A 69 ARG H A 69 ARG HBx 1.0 0.0 3.73 476 431 A 69 ARG H A 67 ALA HB% 1.0 0.0 5.35 477 432 A 38 LYS H A 37 GLU HBy 1.0 0.0 4.80 478 433 A 39 ASN HD22 A 51 PHE HZ 1.0 0.0 4.97 479 434 A 39 ASN HD21 A 51 PHE HE% 1.0 0.0 5.26 480 435 A 38 LYS HA A 43 LYS H 1.0 0.0 5.37 481 436 A 43 LYS H A 44 VAL H 1.0 0.0 4.57 482 437 A 45 LYS H A 44 VAL HB 1.0 0.0 3.64 483 438 A 45 LYS H A 45 LYS HD2 1.0 0.0 4.69 484 438 A 45 LYS H A 45 LYS HD3 1.0 0.0 4.69 485 439 A 46 GLU H A 45 LYS HD2 1.0 0.0 4.63 486 439 A 45 LYS HD3 A 46 GLU H 1.0 0.0 4.63 487 440 A 47 ALA H A 44 VAL HA 1.0 0.0 4.09 488 441 A 47 ALA H A 38 LYS HBx 1.0 0.0 4.49 489 442 A 47 ALA H A 45 LYS HA 1.0 0.0 5.17 490 443 A 50 TYR H A 35 GLY HAy 1.0 0.0 6.02 491 444 A 50 TYR H A 35 GLY HAx 1.0 0.0 6.02 492 445 A 51 PHE H A 48 ILE HA 1.0 0.0 4.46 493 446 A 51 PHE H A 74 LEU HDy% 1.0 0.0 5.44 494 447 A 51 PHE H A 54 ALA HB% 1.0 0.0 5.86 495 448 A 51 PHE H A 74 LEU HG 1.0 0.0 6.22 496 449 A 51 PHE H A 50 TYR HB3 1.0 0.0 4.64 497 450 A 52 LEU H A 48 ILE HA 1.0 0.0 5.47 498 451 A 74 LEU HDx% A 52 LEU H 1.0 0.0 4.43 499 452 A 74 LEU HDx% A 53 ARG H 1.0 0.0 5.47 500 453 A 50 TYR HA A 54 ALA H 1.0 0.0 5.19 501 454 A 31 LEU HB3 A 54 ALA H 1.0 0.0 5.41 502 455 A 55 LYS H A 55 LYS HGx 1.0 0.0 4.69 503 456 A 55 LYS H A 55 LYS HGy 1.0 0.0 4.69 504 457 A 56 LYS H A 55 LYS HB3 1.0 0.0 3.78 505 458 A 56 LYS H A 57 VAL HGy% 1.0 0.0 4.92 506 459 A 59 ASP H A 55 LYS HA 1.0 0.0 5.44 507 460 A 57 VAL HGx% A 60 ALA H 1.0 0.0 5.28 508 461 A 60 ALA H A 56 LYS HA 1.0 0.0 4.91 509 462 A 60 ALA H A 61 GLU H 1.0 0.0 3.54 510 463 A 63 ASP H A 59 ASP HA 1.0 0.0 5.49 511 464 A 68 ARG H A 68 ARG HGx 1.0 0.0 4.32 512 465 A 68 ARG H A 64 THR HA 1.0 0.0 4.78 513 466 A 70 ALA H A 67 ALA HA 1.0 0.0 4.61 514 467 A 70 ALA H A 69 ARG HBx 1.0 0.0 4.76 515 468 A 74 LEU H A 71 ALA HB% 1.0 0.0 4.90 516 469 A 74 LEU H A 74 LEU HBx 1.0 0.0 3.71 517 470 A 75 SER H A 71 ALA HB% 1.0 0.0 4.81 518 471 A 77 ALA H A 76 GLU HBx 1.0 0.0 4.18 519 472 A 77 ALA H A 79 GLN HB2 1.0 0.0 6.30 520 472 A 79 GLN HB3 A 77 ALA H 1.0 0.0 6.30 521 473 A 77 ALA H A 73 SER HA 1.0 0.0 5.37 522 474 A 76 GLU H A 78 TYR H 1.0 0.0 5.24 523 475 A 78 TYR H A 81 VAL H 1.0 0.0 6.28 524 476 A 80 LYS H A 78 TYR HA 1.0 0.0 4.85 525 477 A 81 VAL H A 77 ALA HA 1.0 0.0 5.49 526 478 A 81 VAL H A 79 GLN HA 1.0 0.0 5.73 527 479 A 89 LYS H A 89 LYS HGx 1.0 0.0 5.39 528 480 A 91 PHE H A 90 ILE H 1.0 0.0 4.34 529 481 A 92 GLN H A 92 GLN HG2 1.0 0.0 5.27 530 481 A 92 GLN H A 92 GLN HG3 1.0 0.0 5.27 531 482 A 94 GLU H A 93 LYS HD2 1.0 0.0 6.17 532 482 A 94 GLU H A 93 LYS HD3 1.0 0.0 6.17 533 483 A 5 ASP H A 4 PRO HBx 1.0 0.0 4.42 534 484 A 40 LYS H A 40 LYS HBy 1.0 0.0 4.11 535 485 A 80 LYS HB2 A 80 LYS HD2 1.0 0.0 3.82 536 485 A 80 LYS HB3 A 80 LYS HD2 1.0 0.0 3.82 537 485 A 80 LYS HD3 A 80 LYS HB2 1.0 0.0 3.82 538 485 A 80 LYS HB3 A 80 LYS HD3 1.0 0.0 3.82 539 486 A 5 ASP H A 4 PRO HGy 1.0 0.0 4.88 540 487 A 58 PHE HE% A 29 ARG HGy 1.0 0.0 5.16 541 488 A 8 ILE HD1% A 5 ASP HA 1.0 0.0 4.13 542 489 A 5 ASP H A 5 ASP HBy 1.0 0.0 4.27 543 490 A 5 ASP H A 5 ASP HBx 1.0 0.0 4.27 544 491 A 6 GLU H A 5 ASP HBx 1.0 0.0 4.89 545 492 A 76 GLU HA A 79 GLN HGx 1.0 0.0 5.01 546 493 A 71 ALA HB% A 68 ARG HA 1.0 0.0 3.35 547 494 A 76 GLU H A 76 GLU HBx 1.0 0.0 3.70 548 495 A 12 GLU H A 12 GLU HGy 1.0 0.0 4.80 549 496 A 20 GLU H A 20 GLU HGy 1.0 0.0 4.38 550 497 A 8 ILE HG2% A 12 GLU HGy 1.0 0.0 4.45 551 498 A 21 LEU H A 20 GLU HBy 1.0 0.0 5.24 552 499 A 12 GLU H A 12 GLU HGx 1.0 0.0 4.80 553 500 A 9 ALA HB% A 7 ASN HA 1.0 0.0 5.70 554 501 A 8 ILE H A 8 ILE HB 1.0 0.0 4.15 555 502 A 8 ILE HB A 9 ALA H 1.0 0.0 4.44 556 503 A 5 ASP HA A 8 ILE HB 1.0 0.0 4.15 557 504 A 44 VAL HGx% A 44 VAL HA 1.0 0.0 3.45 558 505 A 8 ILE H A 8 ILE HD1% 1.0 0.0 4.94 559 506 A 8 ILE HA A 8 ILE HD1% 1.0 0.0 4.85 560 507 A 8 ILE HD1% A 38 LYS HEx 1.0 0.0 4.84 561 508 A 8 ILE HD1% A 8 ILE HB 1.0 0.0 3.65 562 509 A 34 ILE HG2% A 8 ILE HD1% 1.0 0.0 3.98 563 510 A 48 ILE H A 48 ILE HG2% 1.0 0.0 4.16 564 511 A 8 ILE HG2% A 9 ALA H 1.0 0.0 4.43 565 512 A 8 ILE HG2% A 9 ALA HA 1.0 0.0 4.30 566 513 A 48 ILE HG2% A 49 GLU HA 1.0 0.0 3.99 567 514 A 8 ILE HA A 8 ILE HG2% 1.0 0.0 3.83 568 515 A 48 ILE HG2% A 48 ILE HA 1.0 0.0 3.57 569 516 A 8 ILE HG2% A 38 LYS HEx 1.0 0.0 5.40 570 517 A 8 ILE HG2% A 12 GLU HGx 1.0 0.0 4.45 571 518 A 34 ILE HG2% A 8 ILE HG2% 1.0 0.0 3.59 572 519 A 9 ALA HB% A 9 ALA H 1.0 0.0 3.24 573 520 A 9 ALA HB% A 6 GLU HA 1.0 0.0 3.58 574 521 A 18 ALA HB% A 23 GLN HB2 1.0 0.0 3.55 575 521 A 18 ALA HB% A 23 GLN HB3 1.0 0.0 3.55 576 522 A 80 LYS H A 77 ALA HA 1.0 0.0 4.20 577 523 A 61 GLU HA A 61 GLU HGy 1.0 0.0 4.19 578 524 A 61 GLU HA A 61 GLU HGx 1.0 0.0 4.19 579 525 A 77 ALA HA A 80 LYS HB2 1.0 0.0 4.59 580 525 A 80 LYS HB3 A 77 ALA HA 1.0 0.0 4.59 581 526 A 92 GLN HA A 92 GLN HG2 1.0 0.0 4.15 582 526 A 92 GLN HA A 92 GLN HG3 1.0 0.0 4.15 583 527 A 87 LYS HA A 87 LYS HG2 1.0 0.0 4.21 584 527 A 87 LYS HA A 87 LYS HG3 1.0 0.0 4.21 585 528 A 72 LYS H A 72 LYS HGy 1.0 0.0 5.48 586 529 A 73 SER H A 72 LYS HGy 1.0 0.0 5.81 587 530 A 10 LYS H A 10 LYS HGy 1.0 0.0 5.02 588 531 A 72 LYS HA A 72 LYS HGy 1.0 0.0 4.29 589 532 A 89 LYS HA A 89 LYS HD2 1.0 0.0 4.54 590 532 A 89 LYS HA A 89 LYS HD3 1.0 0.0 4.54 591 533 A 15 TYR H A 14 ALA HB% 1.0 0.0 4.74 592 534 A 14 ALA HB% A 11 PHE HA 1.0 0.0 4.09 593 535 A 37 GLU HA A 40 LYS HD2 1.0 0.0 4.79 594 535 A 40 LYS HD3 A 37 GLU HA 1.0 0.0 4.79 595 536 A 72 LYS HA A 72 LYS HD2 1.0 0.0 5.47 596 536 A 72 LYS HA A 72 LYS HD3 1.0 0.0 5.47 597 537 A 45 LYS HA A 45 LYS HD2 1.0 0.0 4.29 598 537 A 45 LYS HD3 A 45 LYS HA 1.0 0.0 4.29 599 538 A 44 VAL HGx% A 80 LYS HD2 1.0 0.0 4.12 600 538 A 44 VAL HGx% A 80 LYS HD3 1.0 0.0 4.12 601 539 A 11 PHE H A 10 LYS HBy 1.0 0.0 4.56 602 540 A 10 LYS H A 10 LYS HBx 1.0 0.0 4.13 603 541 A 7 ASN HA A 10 LYS HBy 1.0 0.0 4.66 604 542 A 7 ASN HA A 10 LYS HBx 1.0 0.0 4.66 605 543 A 67 ALA HB% A 67 ALA H 1.0 0.0 3.12 606 544 A 67 ALA HB% A 68 ARG H 1.0 0.0 3.55 607 545 A 18 ALA HB% A 27 MET HGy 1.0 0.0 4.27 608 546 A 18 ALA HA A 23 GLN HB2 1.0 0.0 4.02 609 546 A 23 GLN HB3 A 18 ALA HA 1.0 0.0 4.02 610 547 A 19 GLU HA A 19 GLU HGy 1.0 0.0 4.35 611 548 A 16 LYS HA A 19 GLU HGy 1.0 0.0 6.30 612 549 A 20 GLU HA A 19 GLU HGy 1.0 0.0 6.30 613 550 A 6 GLU H A 6 GLU HBy 1.0 0.0 4.18 614 551 A 49 GLU H A 49 GLU HGx 1.0 0.0 4.16 615 552 A 19 GLU HA A 19 GLU HGx 1.0 0.0 4.35 616 553 A 16 LYS HA A 19 GLU HGx 1.0 0.0 6.30 617 554 A 20 GLU HA A 19 GLU HGx 1.0 0.0 6.30 618 555 A 49 GLU HA A 49 GLU HGx 1.0 0.0 4.30 619 556 A 21 LEU H A 21 LEU HDx% 1.0 0.0 5.54 620 557 A 21 LEU HDx% A 23 GLN HE22 1.0 0.0 4.36 621 558 A 21 LEU HDx% A 18 ALA HA 1.0 0.0 4.35 622 559 A 21 LEU HDx% A 21 LEU HB2 1.0 0.0 3.28 623 559 A 21 LEU HB3 A 21 LEU HDx% 1.0 0.0 3.28 624 560 A 21 LEU H A 21 LEU HB2 1.0 0.0 4.37 625 560 A 21 LEU H A 21 LEU HB3 1.0 0.0 4.37 626 561 A 21 LEU HB3 A 23 GLN HGx 1.0 0.0 4.37 627 561 A 21 LEU HB2 A 23 GLN HGx 1.0 0.0 4.37 628 562 A 28 GLY H A 57 VAL HGx% 1.0 0.0 4.03 629 563 A 21 LEU HA A 21 LEU HDy% 1.0 0.0 3.00 630 564 A 57 VAL HGx% A 57 VAL HA 1.0 0.0 3.38 631 565 A 21 LEU HDy% A 23 GLN HGx 1.0 0.0 6.30 632 566 A 27 MET HB3 A 57 VAL HGx% 1.0 0.0 4.09 633 567 A 21 LEU H A 21 LEU HG 1.0 0.0 4.42 634 568 A 26 LEU H A 26 LEU HG 1.0 0.0 4.51 635 569 A 23 GLN HA A 23 GLN HGy 1.0 0.0 4.37 636 570 A 21 LEU HB3 A 23 GLN HGy 1.0 0.0 4.37 637 570 A 23 GLN HGy A 21 LEU HB2 1.0 0.0 4.37 638 571 A 21 LEU HDy% A 23 GLN HGy 1.0 0.0 6.30 639 572 A 23 GLN HA A 23 GLN HGx 1.0 0.0 4.37 640 573 A 24 GLY HA2 A 27 MET HB2 1.0 0.0 4.92 641 574 A 24 GLY HA2 A 27 MET HB3 1.0 0.0 5.16 642 575 A 24 GLY HA2 A 57 VAL HGx% 1.0 0.0 5.11 643 576 A 12 GLU HA A 15 TYR HD% 1.0 0.0 5.58 644 577 A 12 GLU HA A 15 TYR HB3 1.0 0.0 4.35 645 578 A 46 GLU HA A 46 GLU HGx 1.0 0.0 3.94 646 579 A 12 GLU HA A 12 GLU HGx 1.0 0.0 4.27 647 580 A 13 LYS HA A 13 LYS HD2 1.0 0.0 4.92 648 580 A 13 LYS HA A 13 LYS HD3 1.0 0.0 4.92 649 581 A 49 GLU H A 49 GLU HBy 1.0 0.0 3.99 650 582 A 25 GLU H A 25 GLU HGy 1.0 0.0 5.30 651 583 A 57 VAL HGx% A 61 GLU HGy 1.0 0.0 5.15 652 584 A 29 ARG H A 26 LEU HA 1.0 0.0 5.09 653 585 A 49 GLU H A 52 LEU HDx% 1.0 0.0 5.06 654 586 A 23 GLN HE22 A 26 LEU HDx% 1.0 0.0 5.00 655 587 A 26 LEU HA A 26 LEU HDx% 1.0 0.0 4.47 656 588 A 26 LEU HDx% A 23 GLN HB2 1.0 0.0 3.73 657 588 A 23 GLN HB3 A 26 LEU HDx% 1.0 0.0 3.73 658 589 A 26 LEU HDx% A 26 LEU HBy 1.0 0.0 3.57 659 590 A 26 LEU HDx% A 26 LEU HBx 1.0 0.0 3.57 660 591 A 27 MET H A 26 LEU HDy% 1.0 0.0 5.24 661 592 A 26 LEU HA A 26 LEU HDy% 1.0 0.0 3.08 662 593 A 26 LEU HDy% A 29 ARG HDx 1.0 0.0 4.40 663 594 A 26 LEU HDy% A 26 LEU HBy 1.0 0.0 3.83 664 595 A 26 LEU HDy% A 26 LEU HBx 1.0 0.0 3.83 665 596 A 26 LEU HG A 26 LEU HA 1.0 0.0 4.47 666 597 A 26 LEU HG A 23 GLN HB2 1.0 0.0 4.39 667 597 A 23 GLN HB3 A 26 LEU HG 1.0 0.0 4.39 668 598 A 30 ALA H A 27 MET HA 1.0 0.0 4.36 669 599 A 53 ARG HA A 53 ARG HGy 1.0 0.0 4.03 670 600 A 49 GLU HA A 52 LEU HDx% 1.0 0.0 3.73 671 601 A 27 MET HB3 A 27 MET HE% 1.0 0.0 5.01 672 602 A 23 GLN H A 27 MET HE% 1.0 0.0 4.58 673 603 A 27 MET H A 27 MET HE% 1.0 0.0 4.71 674 604 A 15 TYR HD% A 27 MET HE% 1.0 0.0 4.69 675 605 A 27 MET HE% A 15 TYR HE% 1.0 0.0 3.79 676 606 A 19 GLU HA A 27 MET HE% 1.0 0.0 3.57 677 607 A 27 MET HE% A 24 GLY HA3 1.0 0.0 4.81 678 608 A 27 MET HA A 27 MET HE% 1.0 0.0 5.24 679 609 A 24 GLY HA2 A 27 MET HE% 1.0 0.0 3.77 680 610 A 57 VAL HGy% A 27 MET HE% 1.0 0.0 3.81 681 611 A 57 VAL HGx% A 27 MET HE% 1.0 0.0 3.85 682 612 A 28 GLY H A 27 MET HB2 1.0 0.0 5.22 683 613 A 28 GLY HA3 A 29 ARG HB2 1.0 0.0 5.58 684 613 A 29 ARG HB3 A 28 GLY HA3 1.0 0.0 5.58 685 614 A 28 GLY HA2 A 31 LEU HG 1.0 0.0 5.00 686 615 A 28 GLY HA2 A 57 VAL HB 1.0 0.0 4.79 687 616 A 28 GLY HA2 A 54 ALA HB% 1.0 0.0 5.00 688 617 A 29 ARG HA A 58 PHE HE% 1.0 0.0 4.69 689 618 A 29 ARG HA A 32 TYR HB3 1.0 0.0 3.94 690 619 A 29 ARG HA A 32 TYR HB2 1.0 0.0 4.27 691 620 A 29 ARG HA A 29 ARG HGx 1.0 0.0 4.25 692 621 A 29 ARG H A 29 ARG HGx 1.0 0.0 5.32 693 622 A 58 PHE HE% A 29 ARG HGx 1.0 0.0 5.16 694 623 A 29 ARG H A 29 ARG HB2 1.0 0.0 3.94 695 623 A 29 ARG H A 29 ARG HB3 1.0 0.0 3.94 696 624 A 29 ARG HB2 A 29 ARG HDx 1.0 0.0 4.38 697 624 A 29 ARG HB3 A 29 ARG HDx 1.0 0.0 4.38 698 625 A 26 LEU HDy% A 29 ARG HB2 1.0 0.0 4.85 699 625 A 29 ARG HB3 A 26 LEU HDy% 1.0 0.0 4.85 700 626 A 26 LEU HA A 29 ARG HDy 1.0 0.0 4.79 701 627 A 29 ARG HB3 A 29 ARG HDy 1.0 0.0 4.38 702 627 A 29 ARG HDy A 29 ARG HB2 1.0 0.0 4.38 703 628 A 26 LEU HDy% A 29 ARG HDy 1.0 0.0 4.40 704 629 A 68 ARG HB2 A 68 ARG HD2 1.0 0.0 3.79 705 629 A 68 ARG HB3 A 68 ARG HD2 1.0 0.0 3.79 706 629 A 68 ARG HD3 A 68 ARG HB2 1.0 0.0 3.79 707 629 A 68 ARG HB3 A 68 ARG HD3 1.0 0.0 3.79 708 630 A 15 TYR H A 30 ALA HB% 1.0 0.0 5.02 709 631 A 29 ARG H A 30 ALA HB% 1.0 0.0 5.20 710 632 A 30 ALA HB% A 33 ASN H 1.0 0.0 5.55 711 633 A 30 ALA HB% A 15 TYR HA 1.0 0.0 4.34 712 634 A 15 TYR HB3 A 30 ALA HB% 1.0 0.0 4.38 713 635 A 15 TYR HB2 A 30 ALA HB% 1.0 0.0 3.94 714 636 A 30 ALA HA A 33 ASN HB2 1.0 0.0 4.37 715 636 A 30 ALA HA A 33 ASN HB3 1.0 0.0 4.37 716 637 A 47 ALA HB% A 39 ASN HA 1.0 0.0 3.94 717 638 A 44 VAL HGy% A 39 ASN HA 1.0 0.0 4.13 718 639 A 50 TYR HD% A 31 LEU HA 1.0 0.0 4.12 719 640 A 31 LEU HDy% A 31 LEU HA 1.0 0.0 3.73 720 641 A 36 LEU H A 36 LEU HDx% 1.0 0.0 4.12 721 642 A 31 LEU H A 31 LEU HDx% 1.0 0.0 3.94 722 643 A 36 LEU HDx% A 33 ASN HA 1.0 0.0 3.58 723 644 A 28 GLY HA2 A 31 LEU HDx% 1.0 0.0 4.29 724 645 A 36 LEU HB2 A 36 LEU HDx% 1.0 0.0 3.09 725 646 A 31 LEU HDx% A 53 ARG HB2 1.0 0.0 4.14 726 647 A 31 LEU HB2 A 31 LEU HDx% 1.0 0.0 3.69 727 648 A 52 LEU HB3 A 53 ARG H 1.0 0.0 4.37 728 649 A 52 LEU HB3 A 52 LEU HDx% 1.0 0.0 3.92 729 650 A 28 GLY HA2 A 31 LEU HB3 1.0 0.0 6.15 730 651 A 32 TYR HB2 A 31 LEU HB3 1.0 0.0 6.30 731 652 A 31 LEU HG A 15 TYR HD% 1.0 0.0 4.54 732 653 A 75 SER HA A 75 SER HB2 1.0 0.0 2.94 733 653 A 75 SER HB3 A 75 SER HA 1.0 0.0 2.94 734 654 A 11 PHE HD% A 34 ILE HA 1.0 0.0 5.04 735 655 A 34 ILE HA A 34 ILE HG1y 1.0 0.0 4.34 736 656 A 34 ILE HA A 34 ILE HG1x 1.0 0.0 4.34 737 657 A 12 GLU HA A 34 ILE HD1% 1.0 0.0 3.84 738 658 A 31 LEU HA A 34 ILE HD1% 1.0 0.0 3.84 739 659 A 34 ILE HD1% A 11 PHE HBy 1.0 0.0 4.30 740 660 A 34 ILE HD1% A 11 PHE HBx 1.0 0.0 4.30 741 661 A 34 ILE HD1% A 12 GLU HGy 1.0 0.0 4.38 742 662 A 34 ILE HD1% A 12 GLU HGx 1.0 0.0 4.38 743 663 A 34 ILE HB A 34 ILE HD1% 1.0 0.0 3.79 744 664 A 34 ILE HG2% A 34 ILE HD1% 1.0 0.0 3.22 745 665 A 34 ILE HG2% A 34 ILE HA 1.0 0.0 3.85 746 666 A 34 ILE HG2% A 38 LYS HEy 1.0 0.0 4.47 747 667 A 34 ILE HG2% A 38 LYS HEx 1.0 0.0 4.47 748 668 A 45 LYS H A 45 LYS HB3 1.0 0.0 3.74 749 669 A 48 ILE H A 48 ILE HG1y 1.0 0.0 4.11 750 670 A 17 LYS H A 17 LYS HB2 1.0 0.0 3.56 751 670 A 17 LYS H A 17 LYS HB3 1.0 0.0 3.56 752 671 A 47 ALA HA A 35 GLY HAx 1.0 0.0 4.36 753 672 A 50 TYR HB2 A 35 GLY HAx 1.0 0.0 4.98 754 673 A 50 TYR HB2 A 35 GLY HAy 1.0 0.0 4.98 755 674 A 36 LEU HB3 A 36 LEU HDx% 1.0 0.0 4.25 756 675 A 36 LEU H A 36 LEU HDy% 1.0 0.0 4.68 757 676 A 36 LEU HDy% A 32 TYR HE% 1.0 0.0 4.60 758 677 A 36 LEU HDy% A 36 LEU HA 1.0 0.0 3.22 759 678 A 36 LEU HB2 A 36 LEU HDy% 1.0 0.0 4.09 760 679 A 36 LEU HB3 A 36 LEU HDy% 1.0 0.0 3.43 761 680 A 36 LEU HB2 A 33 ASN HA 1.0 0.0 4.74 762 681 A 38 LYS HA A 41 MET HBx 1.0 0.0 5.15 763 682 A 38 LYS HA A 8 ILE HD1% 1.0 0.0 4.80 764 683 A 40 LYS H A 39 ASN HB2 1.0 0.0 4.38 765 684 A 39 ASN HB2 A 51 PHE HZ 1.0 0.0 4.84 766 685 A 36 LEU HA A 39 ASN HB2 1.0 0.0 4.23 767 686 A 36 LEU HA A 39 ASN HB3 1.0 0.0 4.18 768 687 A 47 ALA HB% A 39 ASN HB3 1.0 0.0 4.27 769 688 A 37 GLU HA A 40 LYS HGy 1.0 0.0 4.69 770 689 A 37 GLU HA A 40 LYS HGx 1.0 0.0 4.69 771 690 A 44 VAL HGx% A 80 LYS HB2 1.0 0.0 4.70 772 690 A 44 VAL HGx% A 80 LYS HB3 1.0 0.0 4.70 773 691 A 44 VAL HGy% A 80 LYS HB2 1.0 0.0 5.43 774 691 A 44 VAL HGy% A 80 LYS HB3 1.0 0.0 5.43 775 692 A 81 VAL HGy% A 80 LYS HB2 1.0 0.0 5.31 776 692 A 81 VAL HGy% A 80 LYS HB3 1.0 0.0 5.31 777 693 A 41 MET HA A 41 MET HGy 1.0 0.0 4.33 778 694 A 41 MET HA A 41 MET HGx 1.0 0.0 4.33 779 695 A 43 LYS HG3 A 41 MET HBx 1.0 0.0 4.96 780 695 A 41 MET HBx A 43 LYS HG2 1.0 0.0 4.96 781 696 A 38 LYS HA A 41 MET HGy 1.0 0.0 5.19 782 697 A 41 MET HE% A 41 MET HGy 1.0 0.0 4.66 783 698 A 5 ASP H A 41 MET HE% 1.0 0.0 4.60 784 699 A 41 MET H A 41 MET HE% 1.0 0.0 4.74 785 700 A 41 MET HA A 41 MET HE% 1.0 0.0 4.61 786 701 A 5 ASP HA A 41 MET HE% 1.0 0.0 4.25 787 702 A 38 LYS HA A 41 MET HE% 1.0 0.0 3.83 788 703 A 41 MET HE% A 43 LYS HEy 1.0 0.0 4.18 789 704 A 41 MET HE% A 43 LYS HEx 1.0 0.0 4.18 790 705 A 8 ILE HD1% A 41 MET HE% 1.0 0.0 3.30 791 706 A 41 MET H A 41 MET HGx 1.0 0.0 4.34 792 707 A 38 LYS HA A 41 MET HGx 1.0 0.0 5.19 793 708 A 41 MET HE% A 41 MET HGx 1.0 0.0 4.66 794 709 A 43 LYS HA A 43 LYS HG2 1.0 0.0 3.97 795 709 A 43 LYS HG3 A 43 LYS HA 1.0 0.0 3.97 796 710 A 43 LYS HG3 A 41 MET HBy 1.0 0.0 4.96 797 710 A 41 MET HBy A 43 LYS HG2 1.0 0.0 4.96 798 711 A 15 TYR HD% A 16 LYS HD2 1.0 0.0 4.83 799 711 A 16 LYS HD3 A 15 TYR HD% 1.0 0.0 4.83 800 712 A 16 LYS HA A 16 LYS HD2 1.0 0.0 4.39 801 712 A 16 LYS HA A 16 LYS HD3 1.0 0.0 4.39 802 713 A 87 LYS HD2 A 87 LYS HG2 1.0 0.0 2.71 803 713 A 87 LYS HD3 A 87 LYS HG2 1.0 0.0 2.71 804 713 A 87 LYS HG3 A 87 LYS HD2 1.0 0.0 2.71 805 713 A 87 LYS HG3 A 87 LYS HD3 1.0 0.0 2.71 806 714 A 93 LYS HD2 A 93 LYS HG2 1.0 0.0 2.91 807 714 A 93 LYS HD3 A 93 LYS HG2 1.0 0.0 2.91 808 714 A 93 LYS HG3 A 93 LYS HD2 1.0 0.0 2.91 809 714 A 93 LYS HG3 A 93 LYS HD3 1.0 0.0 2.91 810 715 A 48 ILE H A 44 VAL HA 1.0 0.0 5.00 811 716 A 45 LYS H A 44 VAL HGx% 1.0 0.0 4.39 812 717 A 81 VAL HGy% A 82 GLU H 1.0 0.0 4.23 813 718 A 43 LYS H A 44 VAL HGy% 1.0 0.0 4.77 814 719 A 43 LYS HA A 44 VAL HGy% 1.0 0.0 4.92 815 720 A 81 VAL HGy% A 78 TYR HA 1.0 0.0 3.58 816 721 A 81 VAL HGy% A 81 VAL HA 1.0 0.0 3.30 817 722 A 44 VAL HGy% A 44 VAL HA 1.0 0.0 3.27 818 723 A 81 VAL HGy% A 45 LYS HE2 1.0 0.0 5.60 819 723 A 81 VAL HGy% A 45 LYS HE3 1.0 0.0 5.60 820 724 A 44 VAL HGx% A 77 ALA HB% 1.0 0.0 3.30 821 725 A 44 VAL HGx% A 77 ALA HA 1.0 0.0 3.96 822 726 A 17 LYS H A 16 LYS HB2 1.0 0.0 3.96 823 726 A 16 LYS HB3 A 17 LYS H 1.0 0.0 3.96 824 727 A 13 LYS HA A 16 LYS HB2 1.0 0.0 4.13 825 727 A 13 LYS HA A 16 LYS HB3 1.0 0.0 4.13 826 728 A 13 LYS HB2 A 13 LYS HD2 1.0 0.0 3.90 827 728 A 13 LYS HB3 A 13 LYS HD2 1.0 0.0 3.90 828 728 A 13 LYS HD3 A 13 LYS HB2 1.0 0.0 3.90 829 728 A 13 LYS HB3 A 13 LYS HD3 1.0 0.0 3.90 830 729 A 56 LYS HB3 A 56 LYS HD2 1.0 0.0 3.85 831 729 A 56 LYS HB2 A 56 LYS HD2 1.0 0.0 3.85 832 729 A 56 LYS HD3 A 56 LYS HB2 1.0 0.0 3.85 833 729 A 56 LYS HB3 A 56 LYS HD3 1.0 0.0 3.85 834 730 A 31 LEU H A 27 MET HA 1.0 0.0 5.40 835 731 A 44 VAL HGx% A 45 LYS HA 1.0 0.0 4.59 836 732 A 44 VAL HGy% A 80 LYS HE2 1.0 0.0 5.02 837 732 A 44 VAL HGy% A 80 LYS HE3 1.0 0.0 5.02 838 733 A 73 SER H A 72 LYS HBx 1.0 0.0 4.20 839 734 A 46 GLU H A 46 GLU HGx 1.0 0.0 4.06 840 735 A 47 ALA H A 47 ALA HB% 1.0 0.0 3.22 841 736 A 48 ILE H A 47 ALA HB% 1.0 0.0 3.73 842 737 A 47 ALA HB% A 44 VAL HA 1.0 0.0 3.32 843 738 A 47 ALA HB% A 35 GLY HAx 1.0 0.0 5.04 844 739 A 47 ALA HB% A 39 ASN HB2 1.0 0.0 3.80 845 740 A 47 ALA HA A 35 GLY HAy 1.0 0.0 4.36 846 741 A 50 TYR HB2 A 47 ALA HA 1.0 0.0 5.19 847 742 A 48 ILE HB A 45 LYS HA 1.0 0.0 4.23 848 743 A 48 ILE HA A 48 ILE HG1y 1.0 0.0 3.97 849 744 A 77 ALA HB% A 48 ILE HA 1.0 0.0 4.74 850 745 A 48 ILE HA A 48 ILE HG1x 1.0 0.0 3.97 851 746 A 48 ILE HD1% A 45 LYS HA 1.0 0.0 3.65 852 747 A 48 ILE HD1% A 48 ILE HA 1.0 0.0 4.15 853 748 A 48 ILE HD1% A 77 ALA HB% 1.0 0.0 3.69 854 749 A 48 ILE HG2% A 51 PHE HD% 1.0 0.0 4.82 855 750 A 77 ALA HB% A 48 ILE HG1y 1.0 0.0 4.09 856 751 A 49 GLU HA A 49 GLU HGy 1.0 0.0 4.30 857 752 A 52 LEU H A 50 TYR HA 1.0 0.0 5.25 858 753 A 52 LEU HB2 A 50 TYR HA 1.0 0.0 6.30 859 754 A 50 TYR HA A 53 ARG HB2 1.0 0.0 4.25 860 755 A 52 LEU HDx% A 52 LEU HA 1.0 0.0 4.29 861 756 A 52 LEU HB2 A 52 LEU HDx% 1.0 0.0 3.53 862 757 A 49 GLU HA A 52 LEU HB3 1.0 0.0 5.04 863 758 A 52 LEU HB3 A 53 ARG HA 1.0 0.0 5.34 864 759 A 52 LEU H A 52 LEU HDy% 1.0 0.0 4.39 865 760 A 52 LEU HDy% A 52 LEU HA 1.0 0.0 3.03 866 761 A 52 LEU HB3 A 52 LEU HDy% 1.0 0.0 3.37 867 762 A 49 GLU HA A 52 LEU HB2 1.0 0.0 4.35 868 763 A 52 LEU HG A 52 LEU HA 1.0 0.0 4.36 869 764 A 48 ILE HG2% A 52 LEU HG 1.0 0.0 4.22 870 765 A 74 LEU HDx% A 52 LEU HG 1.0 0.0 4.50 871 766 A 53 ARG H A 53 ARG HGy 1.0 0.0 4.30 872 767 A 53 ARG HA A 53 ARG HGx 1.0 0.0 4.03 873 768 A 51 PHE HB3 A 74 LEU HG 1.0 0.0 4.44 874 769 A 51 PHE HB2 A 74 LEU HG 1.0 0.0 3.99 875 770 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.61 876 770 A 13 LYS H A 13 LYS HB3 1.0 0.0 3.61 877 771 A 50 TYR HA A 53 ARG HB3 1.0 0.0 5.03 878 772 A 50 TYR HA A 53 ARG HDx 1.0 0.0 4.70 879 773 A 31 LEU HDy% A 53 ARG HDx 1.0 0.0 5.07 880 774 A 60 ALA HB% A 61 GLU H 1.0 0.0 3.82 881 775 A 60 ALA HB% A 60 ALA H 1.0 0.0 3.01 882 776 A 32 TYR HD% A 54 ALA HB% 1.0 0.0 4.08 883 777 A 70 ALA HB% A 51 PHE HD% 1.0 0.0 4.24 884 778 A 58 PHE HD% A 70 ALA HB% 1.0 0.0 4.49 885 779 A 51 PHE HA A 54 ALA HB% 1.0 0.0 3.75 886 780 A 32 TYR HB2 A 54 ALA HB% 1.0 0.0 3.69 887 781 A 31 LEU HB3 A 54 ALA HB% 1.0 0.0 3.66 888 782 A 57 VAL H A 54 ALA HA 1.0 0.0 4.88 889 783 A 28 GLY HA2 A 54 ALA HA 1.0 0.0 4.37 890 784 A 31 LEU HB3 A 54 ALA HA 1.0 0.0 4.75 891 785 A 31 LEU HG A 54 ALA HA 1.0 0.0 5.28 892 786 A 57 VAL HB A 54 ALA HA 1.0 0.0 4.16 893 787 A 57 VAL HGy% A 54 ALA HA 1.0 0.0 4.60 894 788 A 31 LEU HDx% A 54 ALA HA 1.0 0.0 3.95 895 789 A 58 PHE H A 55 LYS HA 1.0 0.0 4.62 896 790 A 58 PHE HB2 A 55 LYS HA 1.0 0.0 4.41 897 791 A 55 LYS HA A 55 LYS HGy 1.0 0.0 4.02 898 792 A 54 ALA HB% A 55 LYS HA 1.0 0.0 4.59 899 793 A 55 LYS HA A 55 LYS HGx 1.0 0.0 4.02 900 794 A 18 ALA HB% A 27 MET HGx 1.0 0.0 4.27 901 795 A 52 LEU HA A 55 LYS HB3 1.0 0.0 4.63 902 796 A 59 ASP HB2 A 56 LYS HA 1.0 0.0 4.12 903 797 A 56 LYS HA A 56 LYS HGy 1.0 0.0 4.15 904 798 A 56 LYS HA A 56 LYS HGx 1.0 0.0 4.15 905 799 A 16 LYS H A 16 LYS HGx 1.0 0.0 4.74 906 800 A 18 ALA H A 17 LYS HG2 1.0 0.0 5.34 907 800 A 17 LYS HG3 A 18 ALA H 1.0 0.0 5.34 908 801 A 7 ASN HA A 10 LYS HD2 1.0 0.0 5.16 909 801 A 10 LYS HD3 A 7 ASN HA 1.0 0.0 5.16 910 802 A 57 VAL HA A 56 LYS HB2 1.0 0.0 4.78 911 802 A 56 LYS HB3 A 57 VAL HA 1.0 0.0 4.78 912 803 A 58 PHE H A 57 VAL HGy% 1.0 0.0 4.59 913 804 A 57 VAL H A 57 VAL HGy% 1.0 0.0 3.28 914 805 A 53 ARG HA A 57 VAL HGy% 1.0 0.0 4.75 915 806 A 57 VAL HA A 57 VAL HGy% 1.0 0.0 3.21 916 807 A 28 GLY HA2 A 57 VAL HGy% 1.0 0.0 5.06 917 808 A 57 VAL HGy% A 56 LYS HB2 1.0 0.0 4.19 918 808 A 56 LYS HB3 A 57 VAL HGy% 1.0 0.0 4.19 919 809 A 57 VAL HGx% A 58 PHE H 1.0 0.0 4.40 920 810 A 57 VAL HGx% A 57 VAL H 1.0 0.0 4.35 921 811 A 57 VAL HGx% A 58 PHE HA 1.0 0.0 4.78 922 812 A 57 VAL HGx% A 24 GLY HA3 1.0 0.0 4.46 923 813 A 57 VAL HGx% A 28 GLY HA2 1.0 0.0 4.27 924 814 A 57 VAL HGx% A 28 GLY HA3 1.0 0.0 3.98 925 815 A 67 ALA HB% A 59 ASP HA 1.0 0.0 4.41 926 816 A 59 ASP H A 59 ASP HB3 1.0 0.0 4.17 927 817 A 59 ASP HB3 A 56 LYS HA 1.0 0.0 4.51 928 818 A 60 ALA HB% A 59 ASP HB3 1.0 0.0 5.21 929 819 A 59 ASP H A 59 ASP HB2 1.0 0.0 4.17 930 820 A 60 ALA HB% A 57 VAL HA 1.0 0.0 3.51 931 821 A 57 VAL HGx% A 61 GLU HGx 1.0 0.0 5.15 932 822 A 58 PHE HA A 61 GLU HBy 1.0 0.0 5.25 933 823 A 58 PHE HA A 63 ASP HBx 1.0 0.0 5.04 934 824 A 58 PHE HB3 A 63 ASP HBx 1.0 0.0 5.07 935 825 A 58 PHE HD% A 63 ASP HBy 1.0 0.0 4.74 936 826 A 58 PHE HA A 63 ASP HBy 1.0 0.0 5.04 937 827 A 58 PHE HB3 A 63 ASP HBy 1.0 0.0 5.07 938 828 A 65 ASP H A 64 THR HB 1.0 0.0 4.18 939 829 A 64 THR H A 64 THR HB 1.0 0.0 3.79 940 830 A 67 ALA HB% A 64 THR HA 1.0 0.0 3.53 941 831 A 64 THR H A 64 THR HG2% 1.0 0.0 3.65 942 832 A 64 THR HG2% A 65 ASP HA 1.0 0.0 4.33 943 833 A 64 THR HG2% A 64 THR HA 1.0 0.0 3.34 944 834 A 64 THR HG2% A 68 ARG HD2 1.0 0.0 4.55 945 834 A 64 THR HG2% A 68 ARG HD3 1.0 0.0 4.55 946 835 A 68 ARG H A 65 ASP HA 1.0 0.0 4.32 947 836 A 65 ASP HA A 68 ARG HB2 1.0 0.0 3.65 948 836 A 68 ARG HB3 A 65 ASP HA 1.0 0.0 3.65 949 837 A 80 LYS HA A 80 LYS HD2 1.0 0.0 5.48 950 837 A 80 LYS HD3 A 80 LYS HA 1.0 0.0 5.48 951 838 A 80 LYS HA A 80 LYS HGx 1.0 0.0 4.19 952 839 A 81 VAL HGx% A 82 GLU HA 1.0 0.0 4.40 953 840 A 65 ASP HBy A 66 GLY H 1.0 0.0 4.17 954 841 A 67 ALA HB% A 58 PHE HB3 1.0 0.0 3.98 955 842 A 71 ALA HB% A 55 LYS HE2 1.0 0.0 3.71 956 842 A 71 ALA HB% A 55 LYS HE3 1.0 0.0 3.71 957 843 A 58 PHE HB2 A 67 ALA HA 1.0 0.0 4.51 958 844 A 70 ALA HB% A 67 ALA HA 1.0 0.0 3.78 959 845 A 71 ALA H A 68 ARG HA 1.0 0.0 4.45 960 846 A 68 ARG HA A 68 ARG HGy 1.0 0.0 4.46 961 847 A 68 ARG H A 68 ARG HD2 1.0 0.0 5.13 962 847 A 68 ARG H A 68 ARG HD3 1.0 0.0 5.13 963 848 A 70 ALA H A 69 ARG HBy 1.0 0.0 4.76 964 849 A 71 ALA H A 70 ALA HB% 1.0 0.0 3.82 965 850 A 70 ALA HB% A 58 PHE HE% 1.0 0.0 4.19 966 851 A 55 LYS HB2 A 70 ALA HB% 1.0 0.0 3.74 967 852 A 70 ALA HA A 73 SER HBy 1.0 0.0 4.57 968 853 A 71 ALA H A 71 ALA HB% 1.0 0.0 3.07 969 854 A 75 SER H A 71 ALA HA 1.0 0.0 5.30 970 855 A 71 ALA HA A 74 LEU HDy% 1.0 0.0 4.94 971 856 A 74 LEU HDx% A 71 ALA HA 1.0 0.0 4.02 972 857 A 17 LYS HB2 A 17 LYS HE2 1.0 0.0 5.22 973 857 A 17 LYS HE3 A 17 LYS HB2 1.0 0.0 5.22 974 857 A 17 LYS HB3 A 17 LYS HE3 1.0 0.0 5.22 975 857 A 17 LYS HB3 A 17 LYS HE2 1.0 0.0 5.22 976 858 A 72 LYS HE3 A 72 LYS HBx 1.0 0.0 5.73 977 858 A 72 LYS HBx A 72 LYS HE2 1.0 0.0 5.73 978 859 A 21 LEU HDx% A 17 LYS HD2 1.0 0.0 5.44 979 859 A 21 LEU HDx% A 17 LYS HD3 1.0 0.0 5.44 980 860 A 76 GLU H A 73 SER HA 1.0 0.0 4.54 981 861 A 74 LEU H A 73 SER HBx 1.0 0.0 4.67 982 862 A 73 SER H A 73 SER HBx 1.0 0.0 4.29 983 863 A 74 LEU HA A 78 TYR H 1.0 0.0 4.90 984 864 A 77 ALA HB% A 74 LEU HA 1.0 0.0 3.83 985 865 A 74 LEU HDx% A 74 LEU HA 1.0 0.0 3.97 986 866 A 74 LEU HDx% A 78 TYR HD% 1.0 0.0 5.35 987 867 A 74 LEU HDx% A 78 TYR HE% 1.0 0.0 4.43 988 868 A 74 LEU HDx% A 51 PHE HB3 1.0 0.0 4.27 989 869 A 51 PHE HB2 A 74 LEU HDx% 1.0 0.0 4.23 990 870 A 74 LEU HDx% A 74 LEU HBy 1.0 0.0 3.59 991 871 A 71 ALA HA A 74 LEU HBx 1.0 0.0 4.13 992 872 A 51 PHE HB3 A 74 LEU HBx 1.0 0.0 5.17 993 873 A 52 LEU H A 74 LEU HDy% 1.0 0.0 4.33 994 874 A 48 ILE H A 74 LEU HDy% 1.0 0.0 5.29 995 875 A 75 SER H A 74 LEU HDy% 1.0 0.0 5.81 996 876 A 74 LEU HDy% A 74 LEU HA 1.0 0.0 3.69 997 877 A 74 LEU HDy% A 48 ILE HA 1.0 0.0 4.01 998 878 A 51 PHE HB2 A 74 LEU HDy% 1.0 0.0 4.02 999 879 A 74 LEU HDy% A 74 LEU HBx 1.0 0.0 4.19 1000 880 A 74 LEU HDy% A 77 ALA HB% 1.0 0.0 4.20 1001 881 A 51 PHE HB3 A 74 LEU HBy 1.0 0.0 5.17 1002 882 A 74 LEU HDy% A 74 LEU HBy 1.0 0.0 4.19 1003 883 A 78 TYR HB2 A 75 SER HA 1.0 0.0 4.42 1004 884 A 81 VAL HA A 82 GLU H 1.0 0.0 3.63 1005 885 A 81 VAL HA A 81 VAL HGx% 1.0 0.0 3.38 1006 886 A 77 ALA HB% A 48 ILE HG1x 1.0 0.0 4.09 1007 887 A 48 ILE HD1% A 78 TYR HA 1.0 0.0 3.94 1008 888 A 79 GLN HA A 79 GLN HGx 1.0 0.0 4.18 1009 889 A 79 GLN HA A 79 GLN HGy 1.0 0.0 4.18 1010 890 A 76 GLU HA A 79 GLN HGy 1.0 0.0 5.01 1011 891 A 80 LYS HA A 80 LYS HGy 1.0 0.0 4.19 1012 892 A 77 ALA HA A 80 LYS HD2 1.0 0.0 4.26 1013 892 A 77 ALA HA A 80 LYS HD3 1.0 0.0 4.26 1014 893 A 81 VAL HA A 80 LYS HB2 1.0 0.0 4.61 1015 893 A 81 VAL HA A 80 LYS HB3 1.0 0.0 4.61 1016 894 A 81 VAL HGy% A 78 TYR HD% 1.0 0.0 4.45 1017 895 A 81 VAL HGy% A 45 LYS HA 1.0 0.0 4.11 1018 896 A 48 ILE HD1% A 81 VAL HGy% 1.0 0.0 3.11 1019 897 A 82 GLU H A 81 VAL HGx% 1.0 0.0 4.25 1020 898 A 81 VAL H A 81 VAL HGx% 1.0 0.0 4.14 1021 899 A 81 VAL HGx% A 78 TYR HD% 1.0 0.0 4.76 1022 900 A 78 TYR HA A 81 VAL HGx% 1.0 0.0 4.30 1023 901 A 81 VAL HGx% A 45 LYS HE2 1.0 0.0 4.43 1024 901 A 45 LYS HE3 A 81 VAL HGx% 1.0 0.0 4.43 1025 902 A 78 TYR HA A 81 VAL HB 1.0 0.0 4.34 1026 903 A 81 VAL HB A 82 GLU HA 1.0 0.0 5.58 1027 904 A 48 ILE HD1% A 81 VAL HB 1.0 0.0 5.03 1028 905 A 82 GLU H A 82 GLU HGy 1.0 0.0 5.39 1029 906 A 83 GLY H A 82 GLU HGy 1.0 0.0 5.88 1030 907 A 82 GLU H A 82 GLU HGx 1.0 0.0 5.39 1031 908 A 83 GLY H A 82 GLU HGx 1.0 0.0 5.88 1032 909 A 94 GLU HA A 94 GLU HG2 1.0 0.0 4.40 1033 909 A 94 GLU HG3 A 94 GLU HA 1.0 0.0 4.40 1034 910 A 87 LYS H A 87 LYS HG2 1.0 0.0 5.27 1035 910 A 87 LYS HG3 A 87 LYS H 1.0 0.0 5.27 1036 911 A 90 ILE HB A 90 ILE H 1.0 0.0 4.12 1037 912 A 90 ILE HA A 90 ILE HG2% 1.0 0.0 3.72 1038 913 A 89 LYS HA A 90 ILE HD1% 1.0 0.0 5.01 1039 914 A 90 ILE HA A 90 ILE HD1% 1.0 0.0 4.60 1040 915 A 90 ILE HB A 90 ILE HD1% 1.0 0.0 4.05 1041 916 A 90 ILE HG2% A 90 ILE H 1.0 0.0 4.64 1042 917 A 8 ILE HD1% A 38 LYS HEy 1.0 0.0 4.84 1043 918 A 96 GLU HA A 96 GLU HG2 1.0 0.0 4.30 1044 918 A 96 GLU HG3 A 96 GLU HA 1.0 0.0 4.30 1045 919 A 98 ILE HA A 98 ILE HG2% 1.0 0.0 4.03 1046 920 A 98 ILE HA A 98 ILE HD1% 1.0 0.0 4.80 1047 921 A 99 LEU H A 98 ILE HG2% 1.0 0.0 5.23 1048 922 A 12 GLU H A 8 ILE HG2% 1.0 0.0 5.04 1049 923 A 22 ASN H A 19 GLU HA 1.0 0.0 4.82 1050 924 A 19 GLU H A 19 GLU HGx 1.0 0.0 5.21 1051 925 A 19 GLU H A 19 GLU HGy 1.0 0.0 5.21 1052 926 A 23 GLN HE21 A 26 LEU HDx% 1.0 0.0 4.96 1053 927 A 26 LEU H A 26 LEU HDx% 1.0 0.0 5.02 1054 928 A 27 MET HB3 A 31 LEU HDx% 1.0 0.0 5.79 1055 929 A 30 ALA HB% A 34 ILE HD1% 1.0 0.0 5.02 1056 930 A 28 GLY HA3 A 54 ALA HA 1.0 0.0 4.92 1057 931 A 13 LYS HB2 A 13 LYS HE2 1.0 0.0 5.15 1058 931 A 13 LYS HB3 A 13 LYS HE2 1.0 0.0 5.15 1059 931 A 13 LYS HE3 A 13 LYS HB2 1.0 0.0 5.15 1060 931 A 13 LYS HB3 A 13 LYS HE3 1.0 0.0 5.15 1061 932 A 56 LYS HB3 A 56 LYS HE2 1.0 0.0 5.48 1062 932 A 56 LYS HB2 A 56 LYS HE2 1.0 0.0 5.48 1063 932 A 56 LYS HE3 A 56 LYS HB2 1.0 0.0 5.48 1064 932 A 56 LYS HB3 A 56 LYS HE3 1.0 0.0 5.48 1065 933 A 56 LYS H A 56 LYS HD2 1.0 0.0 5.24 1066 933 A 56 LYS H A 56 LYS HD3 1.0 0.0 5.24 1067 934 A 59 ASP H A 58 PHE HB3 1.0 0.0 4.97 1068 935 A 6 GLU H A 5 ASP HBy 1.0 0.0 4.89 1069 936 A 65 ASP HA A 68 ARG HD2 1.0 0.0 5.07 1070 936 A 68 ARG HD3 A 65 ASP HA 1.0 0.0 5.07 1071 937 A 17 LYS HE2 A 17 LYS HG2 1.0 0.0 4.40 1072 937 A 17 LYS HE3 A 17 LYS HG2 1.0 0.0 4.40 1073 937 A 17 LYS HG3 A 17 LYS HE2 1.0 0.0 4.40 1074 937 A 17 LYS HG3 A 17 LYS HE3 1.0 0.0 4.40 1075 938 A 83 GLY H A 82 GLU HBx 1.0 0.0 5.48 1076 939 A 12 GLU HA A 15 TYR HB2 1.0 0.0 4.87 1077 940 A 34 ILE HG2% A 38 LYS HGx 1.0 0.0 4.92 1078 941 A 34 ILE HG2% A 38 LYS HGy 1.0 0.0 4.92 1079 942 A 13 LYS HA A 16 LYS HD2 1.0 0.0 6.30 1080 942 A 13 LYS HA A 16 LYS HD3 1.0 0.0 6.30 1081 943 A 17 LYS HA A 16 LYS HD2 1.0 0.0 6.30 1082 943 A 17 LYS HA A 16 LYS HD3 1.0 0.0 6.30 1083 944 A 10 LYS H A 10 LYS HBy 1.0 0.0 4.13 1084 945 A 10 LYS HE3 A 10 LYS HBy 1.0 0.0 5.39 1085 945 A 10 LYS HBy A 10 LYS HE2 1.0 0.0 5.39 1086 946 A 43 LYS HG3 A 43 LYS HEy 1.0 0.0 4.35 1087 946 A 43 LYS HEy A 43 LYS HG2 1.0 0.0 4.35 1088 947 A 77 ALA HB% A 78 TYR HD% 1.0 0.0 5.08 1089 948 A 77 ALA HB% A 39 ASN HD22 1.0 0.0 5.17 1090 949 A 74 LEU HG A 78 TYR HE% 1.0 0.0 5.13 1091 950 A 74 LEU HG A 78 TYR HD% 1.0 0.0 6.30 1092 951 A 20 GLU H A 19 GLU HGy 1.0 0.0 5.35 1093 952 A 20 GLU H A 19 GLU HGx 1.0 0.0 5.35 1094 953 A 10 LYS H A 10 LYS HGx 1.0 0.0 5.02 1095 954 A 51 PHE HB2 A 70 ALA HB% 1.0 0.0 5.51 1096 955 A 53 ARG HA A 56 LYS HE2 1.0 0.0 5.99 1097 955 A 53 ARG HA A 56 LYS HE3 1.0 0.0 5.99 1098 956 A 69 ARG HA A 72 LYS HE2 1.0 0.0 6.21 1099 956 A 69 ARG HA A 72 LYS HE3 1.0 0.0 6.21 1100 957 A 72 LYS HE3 A 72 LYS HBy 1.0 0.0 5.73 1101 957 A 72 LYS HBy A 72 LYS HE2 1.0 0.0 5.73 1102 958 A 36 LEU HDy% A 51 PHE HE% 1.0 0.0 3.66 1103 959 A 48 ILE HD1% A 48 ILE HB 1.0 0.0 3.44 1104 960 A 48 ILE HG2% A 77 ALA HB% 1.0 0.0 4.47 1105 961 A 48 ILE HG2% A 52 LEU H 1.0 0.0 5.00 1106 962 A 18 ALA HB% A 26 LEU H 1.0 0.0 4.86 1107 963 A 17 LYS HA A 17 LYS HD2 1.0 0.0 3.95 1108 963 A 17 LYS HA A 17 LYS HD3 1.0 0.0 3.95 1109 964 A 17 LYS HA A 17 LYS HG2 1.0 0.0 3.84 1110 964 A 17 LYS HG3 A 17 LYS HA 1.0 0.0 3.84 1111 965 A 48 ILE H A 48 ILE HD1% 1.0 0.0 4.20 1112 966 A 21 LEU HDx% A 17 LYS HE2 1.0 0.0 4.68 1113 966 A 21 LEU HDx% A 17 LYS HE3 1.0 0.0 4.68 1114 967 A 53 ARG H A 53 ARG HDx 1.0 0.0 5.06 1115 968 A 53 ARG H A 53 ARG HDy 1.0 0.0 5.06 1116 969 A 27 MET H A 26 LEU HDx% 1.0 0.0 4.77 1117 970 A 28 GLY H A 31 LEU HDx% 1.0 0.0 5.34 1118 971 A 31 LEU HDx% A 28 GLY HA3 1.0 0.0 5.06 1119 972 A 75 SER H A 74 LEU HDx% 1.0 0.0 4.92 1120 973 A 31 LEU HDy% A 53 ARG HDy 1.0 0.0 5.07 1121 974 A 99 LEU HDy% A 99 LEU HA 1.0 0.0 4.33 1122 975 A 99 LEU HDx% A 99 LEU HB2 1.0 0.0 4.28 1123 975 A 99 LEU HB3 A 99 LEU HDx% 1.0 0.0 4.28 1124 976 A 99 LEU HDy% A 99 LEU HB2 1.0 0.0 4.03 1125 976 A 99 LEU HB3 A 99 LEU HDy% 1.0 0.0 4.03 1126 977 A 6 GLU H A 6 GLU HGx 1.0 0.0 4.91 1127 978 A 25 GLU H A 25 GLU HGx 1.0 0.0 5.30 1128 979 A 35 GLY H A 34 ILE HD1% 1.0 0.0 4.97 1129 980 A 34 ILE HG2% A 8 ILE HB 1.0 0.0 5.50 1130 981 A 50 TYR HA A 53 ARG HDy 1.0 0.0 4.70 1131 982 A 50 TYR HA A 31 LEU HDy% 1.0 0.0 5.51 1132 983 A 5 ASP H A 3 SER HBx 1.0 0.0 5.35 1133 984 A 5 ASP HA A 8 ILE HG2% 1.0 0.0 5.05 1134 985 A 6 GLU H A 6 GLU HBx 1.0 0.0 4.18 1135 986 A 12 GLU H A 9 ALA HA 1.0 0.0 5.15 1136 987 A 10 LYS HE3 A 10 LYS HBx 1.0 0.0 5.39 1137 987 A 10 LYS HBx A 10 LYS HE2 1.0 0.0 5.39 1138 988 A 10 LYS HA A 10 LYS HD2 1.0 0.0 5.21 1139 988 A 10 LYS HD3 A 10 LYS HA 1.0 0.0 5.21 1140 989 A 13 LYS H A 12 GLU HBx 1.0 0.0 4.65 1141 990 A 9 ALA HA A 12 GLU HGy 1.0 0.0 4.98 1142 991 A 12 GLU HA A 12 GLU HGy 1.0 0.0 4.27 1143 992 A 9 ALA HA A 12 GLU HGx 1.0 0.0 4.98 1144 993 A 13 LYS H A 13 LYS HGy 1.0 0.0 5.12 1145 994 A 16 LYS HB3 A 16 LYS HD2 1.0 0.0 3.65 1146 994 A 16 LYS HB2 A 16 LYS HD2 1.0 0.0 3.65 1147 994 A 16 LYS HD3 A 16 LYS HB2 1.0 0.0 3.65 1148 994 A 16 LYS HB3 A 16 LYS HD3 1.0 0.0 3.65 1149 995 A 21 LEU HDx% A 17 LYS HA 1.0 0.0 5.85 1150 996 A 17 LYS HD3 A 17 LYS HG2 1.0 0.0 2.56 1151 996 A 17 LYS HD2 A 17 LYS HG2 1.0 0.0 2.56 1152 996 A 17 LYS HG3 A 17 LYS HD2 1.0 0.0 2.56 1153 996 A 17 LYS HG3 A 17 LYS HD3 1.0 0.0 2.56 1154 997 A 23 GLN H A 18 ALA HA 1.0 0.0 4.86 1155 998 A 18 ALA H A 18 ALA HB% 1.0 0.0 3.56 1156 999 A 21 LEU HA A 21 LEU HG 1.0 0.0 4.00 1157 1000 A 21 LEU HB2 A 23 GLN HB2 1.0 0.0 4.77 1158 1000 A 21 LEU HB3 A 23 GLN HB2 1.0 0.0 4.77 1159 1000 A 23 GLN HB3 A 21 LEU HB2 1.0 0.0 4.77 1160 1000 A 23 GLN HB3 A 21 LEU HB3 1.0 0.0 4.77 1161 1001 A 21 LEU HDx% A 17 LYS HG2 1.0 0.0 3.84 1162 1001 A 17 LYS HG3 A 21 LEU HDx% 1.0 0.0 3.84 1163 1002 A 21 LEU HDy% A 21 LEU HB2 1.0 0.0 3.38 1164 1002 A 21 LEU HB3 A 21 LEU HDy% 1.0 0.0 3.38 1165 1003 A 21 LEU HA A 23 GLN HGx 1.0 0.0 6.30 1166 1004 A 21 LEU HA A 23 GLN HGy 1.0 0.0 6.30 1167 1005 A 27 MET HB2 A 24 GLY HA3 1.0 0.0 4.96 1168 1006 A 15 TYR H A 12 GLU HA 1.0 0.0 5.19 1169 1007 A 18 ALA HB% A 26 LEU HDx% 1.0 0.0 4.13 1170 1008 A 18 ALA HA A 26 LEU HDx% 1.0 0.0 4.83 1171 1009 A 18 ALA HA A 26 LEU HDy% 1.0 0.0 4.35 1172 1010 A 26 LEU HDy% A 23 GLN HB2 1.0 0.0 4.60 1173 1010 A 23 GLN HB3 A 26 LEU HDy% 1.0 0.0 4.60 1174 1011 A 27 MET HB2 A 27 MET HE% 1.0 0.0 4.48 1175 1012 A 24 GLY H A 27 MET HE% 1.0 0.0 4.86 1176 1013 A 28 GLY HA2 A 58 PHE HE% 1.0 0.0 5.44 1177 1014 A 29 ARG HA A 29 ARG HGy 1.0 0.0 4.25 1178 1015 A 32 TYR HD% A 29 ARG HA 1.0 0.0 5.25 1179 1016 A 29 ARG HB2 A 33 ASN HD22 1.0 0.0 5.13 1180 1016 A 29 ARG HB3 A 33 ASN HD22 1.0 0.0 5.13 1181 1016 A 33 ASN HD21 A 29 ARG HB2 1.0 0.0 5.13 1182 1016 A 29 ARG HB3 A 33 ASN HD21 1.0 0.0 5.13 1183 1017 A 32 TYR HD% A 29 ARG HB2 1.0 0.0 5.66 1184 1017 A 29 ARG HB3 A 32 TYR HD% 1.0 0.0 5.66 1185 1018 A 58 PHE HE% A 29 ARG HB2 1.0 0.0 6.04 1186 1018 A 29 ARG HB3 A 58 PHE HE% 1.0 0.0 6.04 1187 1019 A 26 LEU HA A 29 ARG HDx 1.0 0.0 4.79 1188 1020 A 31 LEU HDx% A 31 LEU HA 1.0 0.0 4.92 1189 1021 A 34 ILE HB A 31 LEU HA 1.0 0.0 4.27 1190 1022 A 31 LEU HB3 A 31 LEU HDx% 1.0 0.0 4.32 1191 1023 A 31 LEU HDx% A 54 ALA HB% 1.0 0.0 4.04 1192 1024 A 31 LEU HDx% A 53 ARG HB3 1.0 0.0 3.38 1193 1025 A 36 LEU HDx% A 51 PHE HZ 1.0 0.0 4.87 1194 1026 A 36 LEU HG A 33 ASN HA 1.0 0.0 4.55 1195 1027 A 34 ILE HA A 34 ILE HD1% 1.0 0.0 4.35 1196 1028 A 11 PHE HD% A 34 ILE HD1% 1.0 0.0 4.95 1197 1029 A 34 ILE H A 34 ILE HD1% 1.0 0.0 4.37 1198 1030 A 38 LYS HA A 41 MET HBy 1.0 0.0 5.15 1199 1031 A 8 ILE HG2% A 38 LYS HEy 1.0 0.0 5.40 1200 1032 A 39 ASN HA A 44 VAL HA 1.0 0.0 4.40 1201 1033 A 41 MET H A 39 ASN HA 1.0 0.0 5.23 1202 1034 A 44 VAL H A 39 ASN HA 1.0 0.0 5.71 1203 1035 A 39 ASN HB3 A 51 PHE HE% 1.0 0.0 5.21 1204 1036 A 39 ASN HB2 A 51 PHE HE% 1.0 0.0 5.13 1205 1037 A 40 LYS HA A 40 LYS HD2 1.0 0.0 5.07 1206 1037 A 40 LYS HA A 40 LYS HD3 1.0 0.0 5.07 1207 1038 A 41 MET HE% A 43 LYS HG2 1.0 0.0 5.05 1208 1038 A 43 LYS HG3 A 41 MET HE% 1.0 0.0 5.05 1209 1039 A 46 GLU H A 44 VAL HA 1.0 0.0 5.23 1210 1040 A 47 ALA H A 44 VAL HGx% 1.0 0.0 5.25 1211 1041 A 44 VAL HGx% A 80 LYS H 1.0 0.0 6.26 1212 1042 A 44 VAL HGx% A 81 VAL H 1.0 0.0 6.30 1213 1043 A 44 VAL HGy% A 80 LYS HD2 1.0 0.0 3.80 1214 1043 A 44 VAL HGy% A 80 LYS HD3 1.0 0.0 3.80 1215 1044 A 44 VAL HGy% A 77 ALA HA 1.0 0.0 5.95 1216 1045 A 45 LYS H A 44 VAL HGy% 1.0 0.0 4.68 1217 1046 A 30 ALA HB% A 27 MET HA 1.0 0.0 3.95 1218 1047 A 46 GLU HA A 46 GLU HGy 1.0 0.0 3.94 1219 1048 A 50 TYR HD% A 46 GLU HBx 1.0 0.0 5.45 1220 1049 A 50 TYR HD% A 46 GLU HBy 1.0 0.0 5.45 1221 1050 A 47 ALA HA A 51 PHE HE% 1.0 0.0 5.53 1222 1051 A 47 ALA HB% A 35 GLY HAy 1.0 0.0 5.04 1223 1052 A 47 ALA HB% A 36 LEU HA 1.0 0.0 4.81 1224 1053 A 47 ALA HB% A 51 PHE HD% 1.0 0.0 4.92 1225 1054 A 47 ALA HB% A 46 GLU H 1.0 0.0 4.95 1226 1055 A 31 LEU HDx% A 50 TYR HA 1.0 0.0 5.51 1227 1056 A 74 LEU HDx% A 52 LEU HA 1.0 0.0 3.89 1228 1057 A 52 LEU HA A 74 LEU HDy% 1.0 0.0 4.50 1229 1058 A 49 GLU HA A 52 LEU HG 1.0 0.0 5.40 1230 1059 A 52 LEU HB2 A 52 LEU HDy% 1.0 0.0 3.69 1231 1060 A 53 ARG H A 53 ARG HB3 1.0 0.0 4.22 1232 1061 A 53 ARG HB3 A 31 LEU HDy% 1.0 0.0 5.07 1233 1062 A 31 LEU HB2 A 54 ALA HA 1.0 0.0 4.61 1234 1063 A 53 ARG HB2 A 54 ALA HA 1.0 0.0 4.96 1235 1064 A 53 ARG HB3 A 54 ALA HA 1.0 0.0 5.17 1236 1065 A 54 ALA HA A 56 LYS HB2 1.0 0.0 5.86 1237 1065 A 56 LYS HB3 A 54 ALA HA 1.0 0.0 5.86 1238 1066 A 54 ALA HB% A 28 GLY HA3 1.0 0.0 5.19 1239 1067 A 32 TYR HB3 A 54 ALA HB% 1.0 0.0 4.08 1240 1068 A 32 TYR HA A 54 ALA HB% 1.0 0.0 4.62 1241 1069 A 54 ALA HB% A 51 PHE HD% 1.0 0.0 4.78 1242 1070 A 53 ARG H A 54 ALA HB% 1.0 0.0 5.32 1243 1071 A 55 LYS HA A 58 PHE HE% 1.0 0.0 4.91 1244 1072 A 55 LYS HB3 A 70 ALA HB% 1.0 0.0 4.39 1245 1073 A 56 LYS HA A 56 LYS HD2 1.0 0.0 4.91 1246 1073 A 56 LYS HA A 56 LYS HD3 1.0 0.0 4.91 1247 1074 A 59 ASP H A 56 LYS HA 1.0 0.0 4.67 1248 1075 A 57 VAL HA A 61 GLU H 1.0 0.0 5.37 1249 1076 A 57 VAL HB A 28 GLY HA3 1.0 0.0 4.94 1250 1077 A 27 MET HB2 A 57 VAL HGx% 1.0 0.0 4.50 1251 1078 A 58 PHE HB3 A 55 LYS HA 1.0 0.0 4.86 1252 1079 A 60 ALA HB% A 59 ASP HB2 1.0 0.0 6.16 1253 1080 A 58 PHE HA A 61 GLU HBx 1.0 0.0 5.25 1254 1081 A 61 GLU H A 61 GLU HGy 1.0 0.0 4.60 1255 1082 A 67 ALA H A 63 ASP HBx 1.0 0.0 5.63 1256 1083 A 63 ASP HA A 64 THR HG2% 1.0 0.0 4.73 1257 1084 A 58 PHE HB3 A 67 ALA HA 1.0 0.0 4.60 1258 1085 A 58 PHE HB2 A 67 ALA HB% 1.0 0.0 3.99 1259 1086 A 67 ALA HB% A 55 LYS HE2 1.0 0.0 4.06 1260 1086 A 67 ALA HB% A 55 LYS HE3 1.0 0.0 4.06 1261 1087 A 77 ALA HB% A 78 TYR HA 1.0 0.0 5.04 1262 1088 A 72 LYS H A 68 ARG HA 1.0 0.0 5.25 1263 1089 A 68 ARG HA A 68 ARG HD2 1.0 0.0 4.96 1264 1089 A 68 ARG HA A 68 ARG HD3 1.0 0.0 4.96 1265 1090 A 68 ARG HA A 68 ARG HGx 1.0 0.0 4.46 1266 1091 A 51 PHE HD% A 70 ALA HA 1.0 0.0 5.03 1267 1092 A 51 PHE HE% A 70 ALA HA 1.0 0.0 5.57 1268 1093 A 72 LYS H A 70 ALA HA 1.0 0.0 5.37 1269 1094 A 73 SER H A 70 ALA HA 1.0 0.0 5.55 1270 1095 A 70 ALA HB% A 55 LYS HA 1.0 0.0 4.07 1271 1096 A 71 ALA HA A 74 LEU HBy 1.0 0.0 4.13 1272 1097 A 72 LYS HA A 72 LYS HGx 1.0 0.0 4.29 1273 1098 A 43 LYS HG3 A 43 LYS HEx 1.0 0.0 4.35 1274 1098 A 43 LYS HEx A 43 LYS HG2 1.0 0.0 4.35 1275 1099 A 74 LEU HG A 74 LEU HA 1.0 0.0 4.21 1276 1100 A 51 PHE HB2 A 74 LEU HA 1.0 0.0 5.02 1277 1101 A 51 PHE HB3 A 74 LEU HA 1.0 0.0 5.24 1278 1102 A 74 LEU HA A 48 ILE HA 1.0 0.0 5.48 1279 1103 A 74 LEU HA A 78 TYR HD% 1.0 0.0 5.20 1280 1104 A 74 LEU HDx% A 74 LEU HBx 1.0 0.0 3.59 1281 1105 A 74 LEU HDx% A 48 ILE HA 1.0 0.0 4.25 1282 1106 A 71 ALA H A 74 LEU HDx% 1.0 0.0 6.10 1283 1107 A 52 LEU HG A 74 LEU HDy% 1.0 0.0 3.81 1284 1108 A 48 ILE HB A 74 LEU HDy% 1.0 0.0 4.82 1285 1109 A 52 LEU HB2 A 74 LEU HDy% 1.0 0.0 5.37 1286 1110 A 78 TYR HB2 A 74 LEU HDy% 1.0 0.0 5.47 1287 1111 A 51 PHE HB3 A 74 LEU HDy% 1.0 0.0 4.29 1288 1112 A 75 SER HA A 78 TYR HB3 1.0 0.0 4.91 1289 1113 A 21 LEU H A 20 GLU HBx 1.0 0.0 5.24 1290 1114 A 76 GLU HA A 79 GLN HB2 1.0 0.0 4.25 1291 1114 A 79 GLN HB3 A 76 GLU HA 1.0 0.0 4.25 1292 1115 A 80 LYS HA A 79 GLN HB2 1.0 0.0 4.40 1293 1115 A 79 GLN HB3 A 80 LYS HA 1.0 0.0 4.40 1294 1116 A 80 LYS HGy A 79 GLN HB2 1.0 0.0 5.20 1295 1116 A 79 GLN HB3 A 80 LYS HGy 1.0 0.0 5.20 1296 1117 A 79 GLN HB2 A 80 LYS HGx 1.0 0.0 5.20 1297 1117 A 79 GLN HB3 A 80 LYS HGx 1.0 0.0 5.20 1298 1118 A 80 LYS H A 80 LYS HD2 1.0 0.0 4.70 1299 1118 A 80 LYS H A 80 LYS HD3 1.0 0.0 4.70 1300 1119 A 77 ALA HA A 80 LYS HE2 1.0 0.0 4.24 1301 1119 A 77 ALA HA A 80 LYS HE3 1.0 0.0 4.24 1302 1120 A 81 VAL HGy% A 77 ALA HA 1.0 0.0 4.65 1303 1121 A 45 LYS HA A 81 VAL HGx% 1.0 0.0 4.78 1304 1122 A 83 GLY HA3 A 82 GLU HBy 1.0 0.0 5.85 1305 1122 A 82 GLU HBy A 83 GLY HA2 1.0 0.0 5.85 1306 1123 A 83 GLY HA3 A 82 GLU HBx 1.0 0.0 5.85 1307 1123 A 82 GLU HBx A 83 GLY HA2 1.0 0.0 5.85 1308 1124 A 70 ALA HA A 73 SER HBx 1.0 0.0 4.57 1309 1125 A 81 VAL HB A 79 GLN HA 1.0 0.0 5.67 1310 1126 A 91 PHE HA A 91 PHE HD% 1.0 0.0 3.76 1311 1127 A 32 TYR HE% A 70 ALA HA 1.0 0.0 2.80 1312 1128 A 32 TYR HE% A 73 SER HBy 1.0 0.0 3.55 1313 1129 A 32 TYR HE% A 73 SER HBx 1.0 0.0 3.55 1314 1130 A 70 ALA HB% A 32 TYR HE% 1.0 0.0 3.73 1315 1131 A 36 LEU HDx% A 32 TYR HE% 1.0 0.0 3.15 1316 1132 A 11 PHE HD% A 8 ILE HA 1.0 0.0 4.13 1317 1133 A 74 LEU HDy% A 78 TYR HE% 1.0 0.0 3.07 1318 1134 A 48 ILE HG2% A 78 TYR HE% 1.0 0.0 2.99 1319 1135 A 48 ILE HD1% A 78 TYR HE% 1.0 0.0 3.26 1320 1136 A 78 TYR H A 78 TYR HD% 1.0 0.0 3.60 1321 1137 A 78 TYR HA A 78 TYR HD% 1.0 0.0 2.74 1322 1138 A 75 SER HA A 78 TYR HD% 1.0 0.0 3.20 1323 1139 A 32 TYR HD% A 32 TYR HA 1.0 0.0 3.35 1324 1140 A 32 TYR HD% A 70 ALA HA 1.0 0.0 3.58 1325 1141 A 32 TYR HD% A 70 ALA HB% 1.0 0.0 3.04 1326 1142 A 74 LEU HDy% A 78 TYR HD% 1.0 0.0 4.34 1327 1143 A 48 ILE HG2% A 78 TYR HD% 1.0 0.0 4.19 1328 1144 A 48 ILE HD1% A 78 TYR HD% 1.0 0.0 3.19 1329 1145 A 27 MET HA A 15 TYR HE% 1.0 0.0 3.70 1330 1146 A 31 LEU HG A 15 TYR HE% 1.0 0.0 4.04 1331 1147 A 31 LEU HDx% A 15 TYR HE% 1.0 0.0 2.90 1332 1148 A 31 LEU HDy% A 15 TYR HE% 1.0 0.0 3.38 1333 1149 A 16 LYS H A 15 TYR HD% 1.0 0.0 3.75 1334 1150 A 50 TYR H A 50 TYR HD% 1.0 0.0 3.41 1335 1151 A 15 TYR HD% A 27 MET HA 1.0 0.0 3.09 1336 1152 A 31 LEU HB3 A 50 TYR HD% 1.0 0.0 2.96 1337 1153 A 30 ALA HB% A 15 TYR HD% 1.0 0.0 3.11 1338 1154 A 50 TYR HD% A 31 LEU HDy% 1.0 0.0 3.13 1339 1155 A 36 LEU H A 51 PHE HE% 1.0 0.0 3.91 1340 1156 A 32 TYR HA A 51 PHE HE% 1.0 0.0 3.91 1341 1157 A 36 LEU HA A 51 PHE HE% 1.0 0.0 4.35 1342 1158 A 77 ALA HB% A 51 PHE HE% 1.0 0.0 3.42 1343 1159 A 36 LEU HG A 51 PHE HE% 1.0 0.0 3.84 1344 1160 A 47 ALA HB% A 51 PHE HE% 1.0 0.0 3.57 1345 1161 A 36 LEU HDx% A 51 PHE HE% 1.0 0.0 3.89 1346 1162 A 51 PHE HA A 51 PHE HD% 1.0 0.0 3.20 1347 1163 A 32 TYR HA A 51 PHE HD% 1.0 0.0 3.56 1348 1164 A 74 LEU HA A 51 PHE HD% 1.0 0.0 3.83 1349 1165 A 74 LEU HG A 51 PHE HD% 1.0 0.0 4.00 1350 1166 A 77 ALA HB% A 51 PHE HD% 1.0 0.0 4.14 1351 1167 A 74 LEU HDy% A 51 PHE HD% 1.0 0.0 4.09 1352 1168 A 74 LEU HDx% A 51 PHE HD% 1.0 0.0 4.08 1353 1169 A 58 PHE HA A 58 PHE HE% 1.0 0.0 4.68 1354 1170 A 54 ALA HB% A 58 PHE HE% 1.0 0.0 3.72 1355 1171 A 58 PHE HD% A 58 PHE HA 1.0 0.0 3.45 1356 1172 A 58 PHE HD% A 67 ALA HA 1.0 0.0 4.14 1357 1173 A 54 ALA HB% A 58 PHE HD% 1.0 0.0 3.95 1358 1174 A 29 ARG HA A 58 PHE HZ 1.0 0.0 3.35 1359 1175 A 58 PHE HZ A 29 ARG HGy 1.0 0.0 4.12 1360 1176 A 58 PHE HZ A 29 ARG HB2 1.0 0.0 4.23 1361 1176 A 29 ARG HB3 A 58 PHE HZ 1.0 0.0 4.23 1362 1177 A 58 PHE HZ A 29 ARG HGx 1.0 0.0 4.12 1363 1178 A 54 ALA HB% A 58 PHE HZ 1.0 0.0 5.25 1364 1179 A 62 HIS H A 62 HIS HD2 1.0 0.0 3.72 1365 1180 A 62 HIS HD2 A 62 HIS HA 1.0 0.0 3.74 1366 1181 A 62 HIS HD2 A 62 HIS HBy 1.0 0.0 4.01 1367 1182 A 50 TYR HE% A 38 LYS HEy 1.0 0.0 3.94 1368 1183 A 34 ILE HD1% A 50 TYR HE% 1.0 0.0 3.28 1369 1184 A 31 LEU HDy% A 50 TYR HE% 1.0 0.0 3.21 1370 1185 A 34 ILE HG2% A 50 TYR HE% 1.0 0.0 3.43 1371 1186 A 78 TYR HA A 78 TYR HE% 1.0 0.0 4.71 1372 1187 A 75 SER HA A 78 TYR HE% 1.0 0.0 4.76 1373 1188 A 14 ALA HB% A 11 PHE HD% 1.0 0.0 4.14 1374 1189 A 91 PHE HA A 91 PHE HE% 1.0 0.0 4.49 1375 1190 A 34 ILE HG2% A 50 TYR HD% 1.0 0.0 4.04 1376 1191 A 30 ALA HB% A 15 TYR HE% 1.0 0.0 3.81 1377 1192 A 27 MET HB2 A 15 TYR HE% 1.0 0.0 3.86 1378 1193 A 51 PHE H A 51 PHE HD% 1.0 0.0 4.08 1379 1194 A 15 TYR HD% A 15 TYR HA 1.0 0.0 3.48 1380 1195 A 32 TYR HD% A 36 LEU HDx% 1.0 0.0 3.68 1381 1196 A 31 LEU HDx% A 15 TYR HD% 1.0 0.0 4.88 1382 1197 A 31 LEU HDx% A 50 TYR HD% 1.0 0.0 5.38 1383 1198 A 34 ILE HB A 50 TYR HD% 1.0 0.0 3.79 1384 1199 A 58 PHE HD% A 63 ASP HBx 1.0 0.0 4.74 1385 1200 A 58 PHE HE% A 28 GLY HA3 1.0 0.0 4.27 1386 1201 A 36 LEU HDy% A 51 PHE HZ 1.0 0.0 3.30 1387 1202 A 47 ALA HB% A 51 PHE HZ 1.0 0.0 4.15 1388 1203 A 39 ASN HB3 A 51 PHE HZ 1.0 0.0 4.88 1389 1204 A 36 LEU HA A 51 PHE HZ 1.0 0.0 3.46 1390 1205 A 11 PHE HE% A 37 GLU HGx 1.0 0.0 4.30 1391 1206 A 11 PHE HE% A 37 GLU HGy 1.0 0.0 4.30 1392 1207 A 11 PHE HD% A 11 PHE HA 1.0 0.0 3.34 1393 1208 A 27 MET HB3 A 15 TYR HE% 1.0 0.0 2.94 1394 1209 A 73 SER H A 32 TYR HE% 1.0 0.0 3.85 1395 1210 A 50 TYR HE% A 38 LYS HEx 1.0 0.0 3.94 1396 1211 A 74 LEU HA A 78 TYR HE% 1.0 0.0 4.54 1397 1212 A 51 PHE HD% A 48 ILE HA 1.0 0.0 3.50 1398 1213 A 51 PHE HE% A 32 TYR HE% 1.0 0.0 4.48 1399 1214 A 51 PHE HE% A 39 ASN HD22 1.0 0.0 4.71 1400 1215 A 36 LEU HG A 51 PHE HZ 1.0 0.0 4.39 1401 1216 A 58 PHE HD% A 55 LYS HA 1.0 0.0 3.87 1402 1217 A 29 ARG H A 58 PHE HE% 1.0 0.0 4.33 1403 1218 A 32 TYR HB3 A 58 PHE HZ 1.0 0.0 5.73 1404 1219 A 29 ARG H A 58 PHE HZ 1.0 0.0 4.28 1405 1220 A 50 TYR HD% A 34 ILE HD1% 1.0 0.0 4.11 1406 1221 A 31 LEU HB2 A 50 TYR HD% 1.0 0.0 4.58 1407 1222 A 50 TYR HD% A 53 ARG HB2 1.0 0.0 5.07 1408 1223 A 57 VAL HGy% A 15 TYR HE% 1.0 0.0 3.93 1409 1224 A 33 ASN H A 32 TYR HD% 1.0 0.0 3.98 1410 1225 A 47 ALA HA A 50 TYR HD% 1.0 0.0 4.21 1411 1226 A 50 TYR HD% A 50 TYR HA 1.0 0.0 3.56 1412 1227 A 8 ILE HG2% A 50 TYR HE% 1.0 0.0 5.46 1413 1228 A 8 ILE HD1% A 50 TYR HE% 1.0 0.0 6.08 1414 1229 A 81 VAL HGx% A 78 TYR HE% 1.0 0.0 4.57 1415 1230 A 62 HIS HD2 A 62 HIS HBx 1.0 0.0 4.01 1416 1231 A 39 ASN HD21 A 51 PHE HZ 1.0 0.0 4.44 1417 1232 A 3 SER H A 6 GLU HBx 1.0 0.0 5.02 1418 1232 A 3 SER H A 6 GLU HBy 1.0 0.0 5.02 1419 1233 A 3 SER HBx A 4 PRO HGx 1.0 0.0 4.89 1420 1233 A 3 SER HBy A 4 PRO HGx 1.0 0.0 4.89 1421 1233 A 4 PRO HGy A 3 SER HBy 1.0 0.0 4.89 1422 1233 A 3 SER HBx A 4 PRO HGy 1.0 0.0 4.89 1423 1234 A 3 SER HBy A 4 PRO HDx 1.0 0.0 2.87 1424 1234 A 3 SER HBx A 4 PRO HDx 1.0 0.0 2.87 1425 1234 A 4 PRO HDy A 3 SER HBy 1.0 0.0 2.87 1426 1234 A 3 SER HBx A 4 PRO HDy 1.0 0.0 2.87 1427 1235 A 5 ASP H A 3 SER HBy 1.0 0.0 4.44 1428 1235 A 5 ASP H A 3 SER HBx 1.0 0.0 4.44 1429 1236 A 3 SER HBy A 6 GLU HBx 1.0 0.0 5.54 1430 1236 A 3 SER HBx A 6 GLU HBx 1.0 0.0 5.54 1431 1236 A 6 GLU HBy A 3 SER HBy 1.0 0.0 5.54 1432 1236 A 6 GLU HBy A 3 SER HBx 1.0 0.0 5.54 1433 1237 A 4 PRO HA A 7 ASN HBy 1.0 0.0 4.64 1434 1237 A 4 PRO HA A 7 ASN HBx 1.0 0.0 4.64 1435 1238 A 5 ASP H A 4 PRO HBx 1.0 0.0 3.86 1436 1238 A 5 ASP H A 4 PRO HBy 1.0 0.0 3.86 1437 1239 A 5 ASP HA A 4 PRO HBx 1.0 0.0 6.10 1438 1239 A 5 ASP HA A 4 PRO HBy 1.0 0.0 6.10 1439 1240 A 37 GLU HA A 4 PRO HBx 1.0 0.0 5.11 1440 1240 A 37 GLU HA A 4 PRO HBy 1.0 0.0 5.11 1441 1241 A 5 ASP H A 4 PRO HGx 1.0 0.0 4.05 1442 1241 A 5 ASP H A 4 PRO HGy 1.0 0.0 4.05 1443 1242 A 5 ASP HA A 4 PRO HGx 1.0 0.0 6.10 1444 1242 A 5 ASP HA A 4 PRO HGy 1.0 0.0 6.10 1445 1243 A 4 PRO HGy A 41 MET HGx 1.0 0.0 4.21 1446 1243 A 4 PRO HGx A 41 MET HGx 1.0 0.0 4.21 1447 1243 A 41 MET HGy A 4 PRO HGx 1.0 0.0 4.21 1448 1243 A 4 PRO HGy A 41 MET HGy 1.0 0.0 4.21 1449 1244 A 5 ASP H A 4 PRO HDx 1.0 0.0 4.14 1450 1244 A 5 ASP H A 4 PRO HDy 1.0 0.0 4.14 1451 1245 A 4 PRO HDy A 5 ASP HBy 1.0 0.0 5.90 1452 1245 A 4 PRO HDx A 5 ASP HBy 1.0 0.0 5.90 1453 1245 A 5 ASP HBx A 4 PRO HDx 1.0 0.0 5.90 1454 1245 A 4 PRO HDy A 5 ASP HBx 1.0 0.0 5.90 1455 1246 A 5 ASP H A 5 ASP HBy 1.0 0.0 3.72 1456 1246 A 5 ASP H A 5 ASP HBx 1.0 0.0 3.72 1457 1247 A 5 ASP HA A 8 ILE HG1x 1.0 0.0 4.24 1458 1247 A 5 ASP HA A 8 ILE HG1y 1.0 0.0 4.24 1459 1248 A 5 ASP HA A 37 GLU HBx 1.0 0.0 6.10 1460 1248 A 5 ASP HA A 37 GLU HBy 1.0 0.0 6.10 1461 1249 A 8 ILE HD1% A 5 ASP HBy 1.0 0.0 5.18 1462 1249 A 8 ILE HD1% A 5 ASP HBx 1.0 0.0 5.18 1463 1250 A 6 GLU H A 6 GLU HGx 1.0 0.0 4.18 1464 1250 A 6 GLU H A 6 GLU HGy 1.0 0.0 4.18 1465 1251 A 6 GLU HA A 6 GLU HGx 1.0 0.0 3.84 1466 1251 A 6 GLU HA A 6 GLU HGy 1.0 0.0 3.84 1467 1252 A 7 ASN H A 6 GLU HBx 1.0 0.0 3.80 1468 1252 A 7 ASN H A 6 GLU HBy 1.0 0.0 3.80 1469 1253 A 7 ASN H A 7 ASN HBy 1.0 0.0 3.57 1470 1253 A 7 ASN H A 7 ASN HBx 1.0 0.0 3.57 1471 1254 A 7 ASN HA A 10 LYS HBx 1.0 0.0 4.08 1472 1254 A 7 ASN HA A 10 LYS HBy 1.0 0.0 4.08 1473 1255 A 8 ILE H A 8 ILE HG1x 1.0 0.0 5.72 1474 1255 A 8 ILE H A 8 ILE HG1y 1.0 0.0 5.72 1475 1256 A 8 ILE HG2% A 12 GLU HBx 1.0 0.0 5.52 1476 1256 A 8 ILE HG2% A 12 GLU HBy 1.0 0.0 5.52 1477 1257 A 8 ILE HG2% A 12 GLU HGy 1.0 0.0 3.91 1478 1257 A 8 ILE HG2% A 12 GLU HGx 1.0 0.0 3.91 1479 1258 A 8 ILE HG2% A 37 GLU HGy 1.0 0.0 6.10 1480 1258 A 8 ILE HG2% A 37 GLU HGx 1.0 0.0 6.10 1481 1259 A 8 ILE HG2% A 38 LYS HDx 1.0 0.0 5.91 1482 1259 A 8 ILE HG2% A 38 LYS HDy 1.0 0.0 5.91 1483 1260 A 8 ILE HG2% A 38 LYS HEy 1.0 0.0 4.48 1484 1260 A 8 ILE HG2% A 38 LYS HEx 1.0 0.0 4.48 1485 1261 A 34 ILE HA A 8 ILE HG1x 1.0 0.0 4.98 1486 1261 A 34 ILE HA A 8 ILE HG1y 1.0 0.0 4.98 1487 1262 A 34 ILE HG2% A 8 ILE HG1x 1.0 0.0 3.96 1488 1262 A 34 ILE HG2% A 8 ILE HG1y 1.0 0.0 3.96 1489 1263 A 8 ILE HD1% A 37 GLU HBx 1.0 0.0 3.72 1490 1263 A 8 ILE HD1% A 37 GLU HBy 1.0 0.0 3.72 1491 1264 A 8 ILE HD1% A 38 LYS HGy 1.0 0.0 4.92 1492 1264 A 8 ILE HD1% A 38 LYS HGx 1.0 0.0 4.92 1493 1265 A 8 ILE HD1% A 38 LYS HDx 1.0 0.0 4.08 1494 1265 A 8 ILE HD1% A 38 LYS HDy 1.0 0.0 4.08 1495 1266 A 8 ILE HD1% A 38 LYS HEy 1.0 0.0 3.93 1496 1266 A 8 ILE HD1% A 38 LYS HEx 1.0 0.0 3.93 1497 1267 A 9 ALA HA A 12 GLU HBx 1.0 0.0 3.96 1498 1267 A 9 ALA HA A 12 GLU HBy 1.0 0.0 3.96 1499 1268 A 9 ALA HA A 12 GLU HGy 1.0 0.0 4.22 1500 1268 A 9 ALA HA A 12 GLU HGx 1.0 0.0 4.22 1501 1269 A 10 LYS H A 10 LYS HGx 1.0 0.0 4.33 1502 1269 A 10 LYS H A 10 LYS HGy 1.0 0.0 4.33 1503 1270 A 10 LYS HBy A 10 LYS HE2 1.0 0.0 4.66 1504 1270 A 10 LYS HBx A 10 LYS HE2 1.0 0.0 4.66 1505 1270 A 10 LYS HE3 A 10 LYS HBx 1.0 0.0 4.66 1506 1270 A 10 LYS HE3 A 10 LYS HBy 1.0 0.0 4.66 1507 1271 A 11 PHE H A 10 LYS HBx 1.0 0.0 3.91 1508 1271 A 11 PHE H A 10 LYS HBy 1.0 0.0 3.91 1509 1272 A 11 PHE H A 10 LYS HGx 1.0 0.0 4.80 1510 1272 A 11 PHE H A 10 LYS HGy 1.0 0.0 4.80 1511 1273 A 11 PHE H A 11 PHE HBy 1.0 0.0 3.82 1512 1273 A 11 PHE H A 11 PHE HBx 1.0 0.0 3.82 1513 1274 A 30 ALA HB% A 11 PHE HBy 1.0 0.0 5.04 1514 1274 A 30 ALA HB% A 11 PHE HBx 1.0 0.0 5.04 1515 1275 A 34 ILE H A 11 PHE HBy 1.0 0.0 5.63 1516 1275 A 34 ILE H A 11 PHE HBx 1.0 0.0 5.63 1517 1276 A 11 PHE HBx A 34 ILE HG1x 1.0 0.0 3.78 1518 1276 A 11 PHE HBy A 34 ILE HG1x 1.0 0.0 3.78 1519 1276 A 34 ILE HG1y A 11 PHE HBy 1.0 0.0 3.78 1520 1276 A 11 PHE HBx A 34 ILE HG1y 1.0 0.0 3.78 1521 1277 A 34 ILE HD1% A 11 PHE HBy 1.0 0.0 3.78 1522 1277 A 34 ILE HD1% A 11 PHE HBx 1.0 0.0 3.78 1523 1278 A 11 PHE HD% A 34 ILE HG1x 1.0 0.0 4.18 1524 1278 A 11 PHE HD% A 34 ILE HG1y 1.0 0.0 4.18 1525 1279 A 11 PHE HE% A 37 GLU HGy 1.0 0.0 3.71 1526 1279 A 11 PHE HE% A 37 GLU HGx 1.0 0.0 3.71 1527 1280 A 12 GLU H A 12 GLU HGy 1.0 0.0 4.20 1528 1280 A 12 GLU H A 12 GLU HGx 1.0 0.0 4.20 1529 1281 A 12 GLU HA A 12 GLU HGy 1.0 0.0 3.69 1530 1281 A 12 GLU HA A 12 GLU HGx 1.0 0.0 3.69 1531 1282 A 13 LYS H A 12 GLU HBx 1.0 0.0 4.08 1532 1282 A 13 LYS H A 12 GLU HBy 1.0 0.0 4.08 1533 1283 A 34 ILE HD1% A 12 GLU HGy 1.0 0.0 3.72 1534 1283 A 34 ILE HD1% A 12 GLU HGx 1.0 0.0 3.72 1535 1284 A 13 LYS HA A 13 LYS HGx 1.0 0.0 3.89 1536 1284 A 13 LYS HA A 13 LYS HGy 1.0 0.0 3.89 1537 1285 A 13 LYS HE3 A 13 LYS HGx 1.0 0.0 3.70 1538 1285 A 13 LYS HGy A 13 LYS HE2 1.0 0.0 3.70 1539 1285 A 13 LYS HE3 A 13 LYS HGy 1.0 0.0 3.70 1540 1285 A 13 LYS HE2 A 13 LYS HGx 1.0 0.0 3.70 1541 1286 A 15 TYR HD% A 16 LYS HGx 1.0 0.0 3.71 1542 1286 A 15 TYR HD% A 16 LYS HGy 1.0 0.0 3.71 1543 1287 A 15 TYR HE% A 16 LYS HGx 1.0 0.0 4.64 1544 1287 A 15 TYR HE% A 16 LYS HGy 1.0 0.0 4.64 1545 1288 A 15 TYR HE% A 27 MET HGy 1.0 0.0 3.84 1546 1288 A 15 TYR HE% A 27 MET HGx 1.0 0.0 3.84 1547 1289 A 16 LYS H A 16 LYS HGx 1.0 0.0 4.15 1548 1289 A 16 LYS H A 16 LYS HGy 1.0 0.0 4.15 1549 1290 A 16 LYS HA A 16 LYS HGx 1.0 0.0 3.91 1550 1290 A 16 LYS HA A 16 LYS HGy 1.0 0.0 3.91 1551 1291 A 17 LYS HA A 20 GLU HBx 1.0 0.0 4.26 1552 1291 A 17 LYS HA A 20 GLU HBy 1.0 0.0 4.26 1553 1292 A 17 LYS HA A 20 GLU HGy 1.0 0.0 5.04 1554 1292 A 17 LYS HA A 20 GLU HGx 1.0 0.0 5.04 1555 1293 A 18 ALA HA A 23 GLN HGx 1.0 0.0 5.34 1556 1293 A 18 ALA HA A 23 GLN HGy 1.0 0.0 5.34 1557 1294 A 18 ALA HA A 27 MET HGy 1.0 0.0 6.10 1558 1294 A 18 ALA HA A 27 MET HGx 1.0 0.0 6.10 1559 1295 A 18 ALA HB% A 26 LEU HBy 1.0 0.0 3.57 1560 1295 A 18 ALA HB% A 26 LEU HBx 1.0 0.0 3.57 1561 1296 A 18 ALA HB% A 27 MET HGy 1.0 0.0 3.52 1562 1296 A 18 ALA HB% A 27 MET HGx 1.0 0.0 3.52 1563 1297 A 19 GLU H A 19 GLU HBx 1.0 0.0 3.30 1564 1297 A 19 GLU H A 19 GLU HBy 1.0 0.0 3.30 1565 1298 A 19 GLU H A 19 GLU HGy 1.0 0.0 4.50 1566 1298 A 19 GLU H A 19 GLU HGx 1.0 0.0 4.50 1567 1299 A 19 GLU HA A 19 GLU HGy 1.0 0.0 3.77 1568 1299 A 19 GLU HA A 19 GLU HGx 1.0 0.0 3.77 1569 1300 A 20 GLU H A 19 GLU HGy 1.0 0.0 4.71 1570 1300 A 20 GLU H A 19 GLU HGx 1.0 0.0 4.71 1571 1301 A 20 GLU H A 20 GLU HBx 1.0 0.0 3.43 1572 1301 A 20 GLU H A 20 GLU HBy 1.0 0.0 3.43 1573 1302 A 20 GLU H A 20 GLU HGy 1.0 0.0 3.68 1574 1302 A 20 GLU H A 20 GLU HGx 1.0 0.0 3.68 1575 1303 A 20 GLU HA A 20 GLU HGy 1.0 0.0 3.89 1576 1303 A 20 GLU HA A 20 GLU HGx 1.0 0.0 3.89 1577 1304 A 21 LEU H A 20 GLU HBx 1.0 0.0 4.47 1578 1304 A 21 LEU H A 20 GLU HBy 1.0 0.0 4.47 1579 1305 A 21 LEU HDy% A 20 GLU HBx 1.0 0.0 5.50 1580 1305 A 21 LEU HDy% A 20 GLU HBy 1.0 0.0 5.50 1581 1306 A 21 LEU H A 20 GLU HGy 1.0 0.0 4.91 1582 1306 A 21 LEU H A 20 GLU HGx 1.0 0.0 4.91 1583 1307 A 21 LEU HDy% A 20 GLU HGy 1.0 0.0 6.10 1584 1307 A 21 LEU HDy% A 20 GLU HGx 1.0 0.0 6.10 1585 1308 A 21 LEU HA A 23 GLN HGx 1.0 0.0 5.55 1586 1308 A 21 LEU HA A 23 GLN HGy 1.0 0.0 5.55 1587 1309 A 21 LEU HDx% A 23 GLN HGx 1.0 0.0 5.50 1588 1309 A 21 LEU HDx% A 23 GLN HGy 1.0 0.0 5.50 1589 1310 A 21 LEU HDy% A 23 GLN HGx 1.0 0.0 5.55 1590 1310 A 21 LEU HDy% A 23 GLN HGy 1.0 0.0 5.55 1591 1311 A 23 GLN H A 23 GLN HGx 1.0 0.0 3.64 1592 1311 A 23 GLN H A 23 GLN HGy 1.0 0.0 3.64 1593 1312 A 23 GLN HB2 A 26 LEU HBy 1.0 0.0 4.45 1594 1312 A 23 GLN HB3 A 26 LEU HBy 1.0 0.0 4.45 1595 1312 A 26 LEU HBx A 23 GLN HB2 1.0 0.0 4.45 1596 1312 A 23 GLN HB3 A 26 LEU HBx 1.0 0.0 4.45 1597 1313 A 24 GLY H A 23 GLN HGx 1.0 0.0 4.98 1598 1313 A 24 GLY H A 23 GLN HGy 1.0 0.0 4.98 1599 1314 A 26 LEU HDx% A 23 GLN HGx 1.0 0.0 4.41 1600 1314 A 26 LEU HDx% A 23 GLN HGy 1.0 0.0 4.41 1601 1315 A 24 GLY HA3 A 61 GLU HGy 1.0 0.0 5.29 1602 1315 A 24 GLY HA3 A 61 GLU HGx 1.0 0.0 5.29 1603 1316 A 25 GLU H A 25 GLU HGx 1.0 0.0 4.64 1604 1316 A 25 GLU H A 25 GLU HGy 1.0 0.0 4.64 1605 1317 A 25 GLU H A 61 GLU HGy 1.0 0.0 6.10 1606 1317 A 25 GLU H A 61 GLU HGx 1.0 0.0 6.10 1607 1318 A 26 LEU HDx% A 25 GLU HGx 1.0 0.0 5.22 1608 1318 A 26 LEU HDx% A 25 GLU HGy 1.0 0.0 5.22 1609 1319 A 26 LEU HDy% A 25 GLU HGx 1.0 0.0 4.94 1610 1319 A 26 LEU HDy% A 25 GLU HGy 1.0 0.0 4.94 1611 1320 A 26 LEU HA A 29 ARG HDx 1.0 0.0 4.18 1612 1320 A 26 LEU HA A 29 ARG HDy 1.0 0.0 4.18 1613 1321 A 26 LEU HDx% A 26 LEU HBy 1.0 0.0 3.11 1614 1321 A 26 LEU HDx% A 26 LEU HBx 1.0 0.0 3.11 1615 1322 A 26 LEU HDy% A 26 LEU HBy 1.0 0.0 3.33 1616 1322 A 26 LEU HDy% A 26 LEU HBx 1.0 0.0 3.33 1617 1323 A 27 MET H A 26 LEU HBy 1.0 0.0 3.83 1618 1323 A 27 MET H A 26 LEU HBx 1.0 0.0 3.83 1619 1324 A 26 LEU HDy% A 29 ARG HGx 1.0 0.0 5.94 1620 1324 A 26 LEU HDy% A 29 ARG HGy 1.0 0.0 5.94 1621 1325 A 26 LEU HDy% A 29 ARG HDx 1.0 0.0 3.77 1622 1325 A 26 LEU HDy% A 29 ARG HDy 1.0 0.0 3.77 1623 1326 A 27 MET H A 27 MET HGy 1.0 0.0 3.64 1624 1326 A 27 MET H A 27 MET HGx 1.0 0.0 3.64 1625 1327 A 27 MET HA A 27 MET HGy 1.0 0.0 3.73 1626 1327 A 27 MET HA A 27 MET HGx 1.0 0.0 3.73 1627 1328 A 29 ARG H A 29 ARG HGx 1.0 0.0 4.47 1628 1328 A 29 ARG H A 29 ARG HGy 1.0 0.0 4.47 1629 1329 A 29 ARG H A 29 ARG HDx 1.0 0.0 5.10 1630 1329 A 29 ARG H A 29 ARG HDy 1.0 0.0 5.10 1631 1330 A 29 ARG HB2 A 29 ARG HDx 1.0 0.0 3.63 1632 1330 A 29 ARG HB3 A 29 ARG HDx 1.0 0.0 3.63 1633 1330 A 29 ARG HDy A 29 ARG HB2 1.0 0.0 3.63 1634 1330 A 29 ARG HB3 A 29 ARG HDy 1.0 0.0 3.63 1635 1331 A 58 PHE HE% A 29 ARG HGx 1.0 0.0 4.47 1636 1331 A 58 PHE HE% A 29 ARG HGy 1.0 0.0 4.47 1637 1332 A 58 PHE HZ A 29 ARG HDx 1.0 0.0 5.29 1638 1332 A 58 PHE HZ A 29 ARG HDy 1.0 0.0 5.29 1639 1333 A 31 LEU HA A 34 ILE HG1x 1.0 0.0 5.10 1640 1333 A 31 LEU HA A 34 ILE HG1y 1.0 0.0 5.10 1641 1334 A 31 LEU HB3 A 53 ARG HDx 1.0 0.0 4.81 1642 1334 A 31 LEU HB3 A 53 ARG HDy 1.0 0.0 4.81 1643 1335 A 31 LEU HDx% A 53 ARG HGx 1.0 0.0 4.55 1644 1335 A 31 LEU HDx% A 53 ARG HGy 1.0 0.0 4.55 1645 1336 A 31 LEU HDx% A 53 ARG HDx 1.0 0.0 5.30 1646 1336 A 31 LEU HDx% A 53 ARG HDy 1.0 0.0 5.30 1647 1337 A 32 TYR HE% A 69 ARG HDy 1.0 0.0 4.04 1648 1337 A 32 TYR HE% A 69 ARG HDx 1.0 0.0 4.04 1649 1338 A 32 TYR HE% A 73 SER HBy 1.0 0.0 2.95 1650 1338 A 32 TYR HE% A 73 SER HBx 1.0 0.0 2.95 1651 1339 A 34 ILE H A 34 ILE HG1x 1.0 0.0 4.09 1652 1339 A 34 ILE H A 34 ILE HG1y 1.0 0.0 4.09 1653 1340 A 34 ILE H A 35 GLY HAx 1.0 0.0 5.94 1654 1340 A 34 ILE H A 35 GLY HAy 1.0 0.0 5.94 1655 1341 A 34 ILE HA A 34 ILE HG1x 1.0 0.0 3.75 1656 1341 A 34 ILE HA A 34 ILE HG1y 1.0 0.0 3.75 1657 1342 A 34 ILE HG2% A 35 GLY HAx 1.0 0.0 4.95 1658 1342 A 34 ILE HG2% A 35 GLY HAy 1.0 0.0 4.95 1659 1343 A 34 ILE HG2% A 38 LYS HBx 1.0 0.0 6.08 1660 1343 A 34 ILE HG2% A 38 LYS HBy 1.0 0.0 6.08 1661 1344 A 34 ILE HG2% A 38 LYS HDx 1.0 0.0 4.65 1662 1344 A 34 ILE HG2% A 38 LYS HDy 1.0 0.0 4.65 1663 1345 A 34 ILE HG2% A 38 LYS HEy 1.0 0.0 3.85 1664 1345 A 34 ILE HG2% A 38 LYS HEx 1.0 0.0 3.85 1665 1346 A 35 GLY H A 34 ILE HG1x 1.0 0.0 5.42 1666 1346 A 35 GLY H A 34 ILE HG1y 1.0 0.0 5.42 1667 1347 A 38 LYS H A 35 GLY HAx 1.0 0.0 5.16 1668 1347 A 38 LYS H A 35 GLY HAy 1.0 0.0 5.16 1669 1348 A 35 GLY HAy A 38 LYS HBx 1.0 0.0 4.97 1670 1348 A 35 GLY HAx A 38 LYS HBx 1.0 0.0 4.97 1671 1348 A 38 LYS HBy A 35 GLY HAx 1.0 0.0 4.97 1672 1348 A 35 GLY HAy A 38 LYS HBy 1.0 0.0 4.97 1673 1349 A 47 ALA HA A 35 GLY HAx 1.0 0.0 3.76 1674 1349 A 47 ALA HA A 35 GLY HAy 1.0 0.0 3.76 1675 1350 A 47 ALA HB% A 35 GLY HAx 1.0 0.0 4.39 1676 1350 A 47 ALA HB% A 35 GLY HAy 1.0 0.0 4.39 1677 1351 A 50 TYR H A 35 GLY HAx 1.0 0.0 5.10 1678 1351 A 50 TYR H A 35 GLY HAy 1.0 0.0 5.10 1679 1352 A 51 PHE HD% A 35 GLY HAx 1.0 0.0 4.15 1680 1352 A 51 PHE HD% A 35 GLY HAy 1.0 0.0 4.15 1681 1353 A 51 PHE HE% A 35 GLY HAx 1.0 0.0 4.00 1682 1353 A 51 PHE HE% A 35 GLY HAy 1.0 0.0 4.00 1683 1354 A 51 PHE HZ A 35 GLY HAx 1.0 0.0 4.41 1684 1354 A 51 PHE HZ A 35 GLY HAy 1.0 0.0 4.41 1685 1355 A 37 GLU H A 37 GLU HBx 1.0 0.0 3.87 1686 1355 A 37 GLU H A 37 GLU HBy 1.0 0.0 3.87 1687 1356 A 37 GLU H A 37 GLU HGy 1.0 0.0 3.62 1688 1356 A 37 GLU H A 37 GLU HGx 1.0 0.0 3.62 1689 1357 A 37 GLU HA A 40 LYS HGx 1.0 0.0 4.13 1690 1357 A 37 GLU HA A 40 LYS HGy 1.0 0.0 4.13 1691 1358 A 37 GLU HA A 40 LYS HEy 1.0 0.0 5.16 1692 1358 A 37 GLU HA A 40 LYS HEx 1.0 0.0 5.16 1693 1359 A 38 LYS H A 37 GLU HBx 1.0 0.0 3.87 1694 1359 A 38 LYS H A 37 GLU HBy 1.0 0.0 3.87 1695 1360 A 38 LYS H A 37 GLU HGy 1.0 0.0 5.74 1696 1360 A 38 LYS H A 37 GLU HGx 1.0 0.0 5.74 1697 1361 A 38 LYS H A 38 LYS HBx 1.0 0.0 3.55 1698 1361 A 38 LYS H A 38 LYS HBy 1.0 0.0 3.55 1699 1362 A 38 LYS H A 38 LYS HGy 1.0 0.0 4.00 1700 1362 A 38 LYS H A 38 LYS HGx 1.0 0.0 4.00 1701 1363 A 38 LYS H A 38 LYS HDx 1.0 0.0 4.57 1702 1363 A 38 LYS H A 38 LYS HDy 1.0 0.0 4.57 1703 1364 A 38 LYS HA A 38 LYS HGy 1.0 0.0 3.93 1704 1364 A 38 LYS HA A 38 LYS HGx 1.0 0.0 3.93 1705 1365 A 38 LYS HA A 38 LYS HDx 1.0 0.0 3.73 1706 1365 A 38 LYS HA A 38 LYS HDy 1.0 0.0 3.73 1707 1366 A 38 LYS HA A 41 MET HBy 1.0 0.0 4.29 1708 1366 A 38 LYS HA A 41 MET HBx 1.0 0.0 4.29 1709 1367 A 38 LYS HA A 41 MET HGx 1.0 0.0 4.53 1710 1367 A 38 LYS HA A 41 MET HGy 1.0 0.0 4.53 1711 1368 A 38 LYS HA A 43 LYS HBx 1.0 0.0 4.61 1712 1368 A 38 LYS HA A 43 LYS HBy 1.0 0.0 4.61 1713 1369 A 38 LYS HBx A 38 LYS HEy 1.0 0.0 5.41 1714 1369 A 38 LYS HBy A 38 LYS HEy 1.0 0.0 5.41 1715 1369 A 38 LYS HEx A 38 LYS HBx 1.0 0.0 5.41 1716 1369 A 38 LYS HEx A 38 LYS HBy 1.0 0.0 5.41 1717 1370 A 39 ASN H A 38 LYS HBx 1.0 0.0 3.92 1718 1370 A 39 ASN H A 38 LYS HBy 1.0 0.0 3.92 1719 1371 A 39 ASN HA A 38 LYS HBx 1.0 0.0 4.76 1720 1371 A 39 ASN HA A 38 LYS HBy 1.0 0.0 4.76 1721 1372 A 47 ALA HA A 38 LYS HBx 1.0 0.0 4.19 1722 1372 A 47 ALA HA A 38 LYS HBy 1.0 0.0 4.19 1723 1373 A 47 ALA HB% A 38 LYS HBx 1.0 0.0 3.56 1724 1373 A 47 ALA HB% A 38 LYS HBy 1.0 0.0 3.56 1725 1374 A 38 LYS HEx A 46 GLU HBy 1.0 0.0 5.62 1726 1374 A 38 LYS HEy A 46 GLU HBy 1.0 0.0 5.62 1727 1374 A 46 GLU HBx A 38 LYS HEy 1.0 0.0 5.62 1728 1374 A 38 LYS HEx A 46 GLU HBx 1.0 0.0 5.62 1729 1375 A 50 TYR HE% A 38 LYS HEy 1.0 0.0 3.32 1730 1375 A 50 TYR HE% A 38 LYS HEx 1.0 0.0 3.32 1731 1376 A 40 LYS H A 40 LYS HBx 1.0 0.0 3.60 1732 1376 A 40 LYS H A 40 LYS HBy 1.0 0.0 3.60 1733 1377 A 40 LYS HA A 40 LYS HGx 1.0 0.0 3.60 1734 1377 A 40 LYS HA A 40 LYS HGy 1.0 0.0 3.60 1735 1378 A 40 LYS HA A 40 LYS HEy 1.0 0.0 6.10 1736 1378 A 40 LYS HA A 40 LYS HEx 1.0 0.0 6.10 1737 1379 A 40 LYS HBy A 40 LYS HD2 1.0 0.0 3.61 1738 1379 A 40 LYS HD3 A 40 LYS HBx 1.0 0.0 3.61 1739 1379 A 40 LYS HD3 A 40 LYS HBy 1.0 0.0 3.61 1740 1379 A 40 LYS HBx A 40 LYS HD2 1.0 0.0 3.61 1741 1380 A 40 LYS HBy A 40 LYS HEy 1.0 0.0 4.70 1742 1380 A 40 LYS HBx A 40 LYS HEy 1.0 0.0 4.70 1743 1380 A 40 LYS HEx A 40 LYS HBx 1.0 0.0 4.70 1744 1380 A 40 LYS HEx A 40 LYS HBy 1.0 0.0 4.70 1745 1381 A 41 MET H A 40 LYS HGx 1.0 0.0 5.55 1746 1381 A 41 MET H A 40 LYS HGy 1.0 0.0 5.55 1747 1382 A 41 MET H A 41 MET HBy 1.0 0.0 3.46 1748 1382 A 41 MET H A 41 MET HBx 1.0 0.0 3.46 1749 1383 A 41 MET H A 42 GLY HAy 1.0 0.0 5.96 1750 1383 A 41 MET H A 42 GLY HAx 1.0 0.0 5.96 1751 1384 A 41 MET HA A 41 MET HGx 1.0 0.0 3.77 1752 1384 A 41 MET HA A 41 MET HGy 1.0 0.0 3.77 1753 1385 A 43 LYS H A 41 MET HBy 1.0 0.0 4.74 1754 1385 A 43 LYS H A 41 MET HBx 1.0 0.0 4.74 1755 1386 A 41 MET HBx A 43 LYS HG2 1.0 0.0 4.35 1756 1386 A 41 MET HBy A 43 LYS HG2 1.0 0.0 4.35 1757 1386 A 43 LYS HG3 A 41 MET HBy 1.0 0.0 4.35 1758 1386 A 43 LYS HG3 A 41 MET HBx 1.0 0.0 4.35 1759 1387 A 41 MET HE% A 43 LYS HEx 1.0 0.0 3.60 1760 1387 A 41 MET HE% A 43 LYS HEy 1.0 0.0 3.60 1761 1388 A 44 VAL H A 42 GLY HAy 1.0 0.0 6.10 1762 1388 A 44 VAL H A 42 GLY HAx 1.0 0.0 6.10 1763 1389 A 44 VAL HGy% A 42 GLY HAy 1.0 0.0 4.21 1764 1389 A 44 VAL HGy% A 42 GLY HAx 1.0 0.0 4.21 1765 1390 A 43 LYS H A 43 LYS HBx 1.0 0.0 3.51 1766 1390 A 43 LYS H A 43 LYS HBy 1.0 0.0 3.51 1767 1391 A 43 LYS H A 43 LYS HDx 1.0 0.0 4.91 1768 1391 A 43 LYS H A 43 LYS HDy 1.0 0.0 4.91 1769 1392 A 43 LYS HA A 43 LYS HDx 1.0 0.0 5.29 1770 1392 A 43 LYS HA A 43 LYS HDy 1.0 0.0 5.29 1771 1393 A 43 LYS HBy A 43 LYS HDx 1.0 0.0 3.48 1772 1393 A 43 LYS HDy A 43 LYS HBx 1.0 0.0 3.48 1773 1393 A 43 LYS HBy A 43 LYS HDy 1.0 0.0 3.48 1774 1393 A 43 LYS HBx A 43 LYS HDx 1.0 0.0 3.48 1775 1394 A 44 VAL H A 43 LYS HBx 1.0 0.0 4.33 1776 1394 A 44 VAL H A 43 LYS HBy 1.0 0.0 4.33 1777 1395 A 43 LYS HEx A 43 LYS HG2 1.0 0.0 3.65 1778 1395 A 43 LYS HEy A 43 LYS HG2 1.0 0.0 3.65 1779 1395 A 43 LYS HG3 A 43 LYS HEx 1.0 0.0 3.65 1780 1395 A 43 LYS HG3 A 43 LYS HEy 1.0 0.0 3.65 1781 1396 A 44 VAL HGx% A 48 ILE HG1x 1.0 0.0 5.06 1782 1396 A 44 VAL HGx% A 48 ILE HG1y 1.0 0.0 5.06 1783 1397 A 45 LYS H A 45 LYS HGx 1.0 0.0 3.65 1784 1397 A 45 LYS H A 45 LYS HGy 1.0 0.0 3.65 1785 1398 A 45 LYS H A 48 ILE HG1x 1.0 0.0 5.69 1786 1398 A 45 LYS H A 48 ILE HG1y 1.0 0.0 5.69 1787 1399 A 45 LYS HA A 45 LYS HGx 1.0 0.0 3.77 1788 1399 A 45 LYS HA A 45 LYS HGy 1.0 0.0 3.77 1789 1400 A 45 LYS HE3 A 45 LYS HGx 1.0 0.0 3.71 1790 1400 A 45 LYS HE2 A 45 LYS HGx 1.0 0.0 3.71 1791 1400 A 45 LYS HGy A 45 LYS HE2 1.0 0.0 3.71 1792 1400 A 45 LYS HE3 A 45 LYS HGy 1.0 0.0 3.71 1793 1401 A 46 GLU H A 45 LYS HGx 1.0 0.0 5.25 1794 1401 A 46 GLU H A 45 LYS HGy 1.0 0.0 5.25 1795 1402 A 46 GLU H A 46 GLU HBy 1.0 0.0 3.35 1796 1402 A 46 GLU H A 46 GLU HBx 1.0 0.0 3.35 1797 1403 A 46 GLU H A 46 GLU HGy 1.0 0.0 3.50 1798 1403 A 46 GLU H A 46 GLU HGx 1.0 0.0 3.50 1799 1404 A 46 GLU HA A 46 GLU HGy 1.0 0.0 3.41 1800 1404 A 46 GLU HA A 46 GLU HGx 1.0 0.0 3.41 1801 1405 A 46 GLU HA A 49 GLU HBy 1.0 0.0 3.63 1802 1405 A 46 GLU HA A 49 GLU HBx 1.0 0.0 3.63 1803 1406 A 46 GLU HA A 49 GLU HGy 1.0 0.0 4.09 1804 1406 A 46 GLU HA A 49 GLU HGx 1.0 0.0 4.09 1805 1407 A 47 ALA H A 46 GLU HBy 1.0 0.0 3.50 1806 1407 A 47 ALA H A 46 GLU HBx 1.0 0.0 3.50 1807 1408 A 47 ALA HB% A 46 GLU HBy 1.0 0.0 4.24 1808 1408 A 47 ALA HB% A 46 GLU HBx 1.0 0.0 4.24 1809 1409 A 50 TYR HE% A 46 GLU HBy 1.0 0.0 3.69 1810 1409 A 50 TYR HE% A 46 GLU HBx 1.0 0.0 3.69 1811 1410 A 50 TYR HD% A 46 GLU HGy 1.0 0.0 5.07 1812 1410 A 50 TYR HD% A 46 GLU HGx 1.0 0.0 5.07 1813 1411 A 48 ILE H A 48 ILE HG1x 1.0 0.0 3.45 1814 1411 A 48 ILE H A 48 ILE HG1y 1.0 0.0 3.45 1815 1412 A 48 ILE HA A 48 ILE HG1x 1.0 0.0 3.41 1816 1412 A 48 ILE HA A 48 ILE HG1y 1.0 0.0 3.41 1817 1413 A 48 ILE HG2% A 49 GLU HGy 1.0 0.0 4.84 1818 1413 A 48 ILE HG2% A 49 GLU HGx 1.0 0.0 4.84 1819 1414 A 49 GLU H A 48 ILE HG1x 1.0 0.0 5.05 1820 1414 A 49 GLU H A 48 ILE HG1y 1.0 0.0 5.05 1821 1415 A 74 LEU HDy% A 48 ILE HG1x 1.0 0.0 3.98 1822 1415 A 74 LEU HDy% A 48 ILE HG1y 1.0 0.0 3.98 1823 1416 A 77 ALA HB% A 48 ILE HG1x 1.0 0.0 3.43 1824 1416 A 77 ALA HB% A 48 ILE HG1y 1.0 0.0 3.43 1825 1417 A 78 TYR HE% A 48 ILE HG1x 1.0 0.0 4.80 1826 1417 A 78 TYR HE% A 48 ILE HG1y 1.0 0.0 4.80 1827 1418 A 49 GLU H A 49 GLU HBy 1.0 0.0 3.48 1828 1418 A 49 GLU H A 49 GLU HBx 1.0 0.0 3.48 1829 1419 A 49 GLU H A 49 GLU HGy 1.0 0.0 3.60 1830 1419 A 49 GLU H A 49 GLU HGx 1.0 0.0 3.60 1831 1420 A 50 TYR HA A 49 GLU HBy 1.0 0.0 5.34 1832 1420 A 50 TYR HA A 49 GLU HBx 1.0 0.0 5.34 1833 1421 A 50 TYR HA A 53 ARG HGx 1.0 0.0 5.10 1834 1421 A 50 TYR HA A 53 ARG HGy 1.0 0.0 5.10 1835 1422 A 50 TYR HD% A 53 ARG HGx 1.0 0.0 6.10 1836 1422 A 50 TYR HD% A 53 ARG HGy 1.0 0.0 6.10 1837 1423 A 51 PHE HB2 A 74 LEU HBy 1.0 0.0 4.99 1838 1423 A 51 PHE HB2 A 74 LEU HBx 1.0 0.0 4.99 1839 1424 A 51 PHE HB3 A 74 LEU HBy 1.0 0.0 4.53 1840 1424 A 51 PHE HB3 A 74 LEU HBx 1.0 0.0 4.53 1841 1425 A 51 PHE HD% A 73 SER HBy 1.0 0.0 5.01 1842 1425 A 51 PHE HD% A 73 SER HBx 1.0 0.0 5.01 1843 1426 A 51 PHE HE% A 73 SER HBy 1.0 0.0 4.12 1844 1426 A 51 PHE HE% A 73 SER HBx 1.0 0.0 4.12 1845 1427 A 51 PHE HZ A 73 SER HBy 1.0 0.0 5.34 1846 1427 A 51 PHE HZ A 73 SER HBx 1.0 0.0 5.34 1847 1428 A 52 LEU HA A 55 LYS HDx 1.0 0.0 4.82 1848 1428 A 52 LEU HA A 55 LYS HDy 1.0 0.0 4.82 1849 1429 A 53 ARG H A 53 ARG HGx 1.0 0.0 3.61 1850 1429 A 53 ARG H A 53 ARG HGy 1.0 0.0 3.61 1851 1430 A 53 ARG HA A 53 ARG HGx 1.0 0.0 3.23 1852 1430 A 53 ARG HA A 53 ARG HGy 1.0 0.0 3.23 1853 1431 A 53 ARG HA A 53 ARG HDx 1.0 0.0 4.88 1854 1431 A 53 ARG HA A 53 ARG HDy 1.0 0.0 4.88 1855 1432 A 53 ARG HB3 A 53 ARG HDx 1.0 0.0 3.68 1856 1432 A 53 ARG HB3 A 53 ARG HDy 1.0 0.0 3.68 1857 1433 A 55 LYS H A 55 LYS HGx 1.0 0.0 4.11 1858 1433 A 55 LYS H A 55 LYS HGy 1.0 0.0 4.11 1859 1434 A 55 LYS HB3 A 55 LYS HDx 1.0 0.0 3.75 1860 1434 A 55 LYS HB3 A 55 LYS HDy 1.0 0.0 3.75 1861 1435 A 55 LYS HE3 A 55 LYS HGx 1.0 0.0 3.68 1862 1435 A 55 LYS HE2 A 55 LYS HGx 1.0 0.0 3.68 1863 1435 A 55 LYS HGy A 55 LYS HE2 1.0 0.0 3.68 1864 1435 A 55 LYS HE3 A 55 LYS HGy 1.0 0.0 3.68 1865 1436 A 56 LYS H A 55 LYS HGx 1.0 0.0 5.40 1866 1436 A 56 LYS H A 55 LYS HGy 1.0 0.0 5.40 1867 1437 A 58 PHE H A 55 LYS HGx 1.0 0.0 5.95 1868 1437 A 58 PHE H A 55 LYS HGy 1.0 0.0 5.95 1869 1438 A 58 PHE HB2 A 55 LYS HGx 1.0 0.0 5.29 1870 1438 A 58 PHE HB2 A 55 LYS HGy 1.0 0.0 5.29 1871 1439 A 59 ASP H A 55 LYS HGx 1.0 0.0 5.11 1872 1439 A 59 ASP H A 55 LYS HGy 1.0 0.0 5.11 1873 1440 A 67 ALA H A 55 LYS HGx 1.0 0.0 4.96 1874 1440 A 67 ALA H A 55 LYS HGy 1.0 0.0 4.96 1875 1441 A 67 ALA HA A 55 LYS HGx 1.0 0.0 4.37 1876 1441 A 67 ALA HA A 55 LYS HGy 1.0 0.0 4.37 1877 1442 A 56 LYS H A 55 LYS HDx 1.0 0.0 5.34 1878 1442 A 56 LYS H A 55 LYS HDy 1.0 0.0 5.34 1879 1443 A 71 ALA H A 55 LYS HDx 1.0 0.0 4.45 1880 1443 A 71 ALA H A 55 LYS HDy 1.0 0.0 4.45 1881 1444 A 71 ALA HA A 55 LYS HDx 1.0 0.0 4.41 1882 1444 A 71 ALA HA A 55 LYS HDy 1.0 0.0 4.41 1883 1445 A 56 LYS H A 56 LYS HGx 1.0 0.0 4.59 1884 1445 A 56 LYS H A 56 LYS HGy 1.0 0.0 4.59 1885 1446 A 57 VAL H A 56 LYS HGx 1.0 0.0 5.90 1886 1446 A 57 VAL H A 56 LYS HGy 1.0 0.0 5.90 1887 1447 A 57 VAL HA A 56 LYS HGx 1.0 0.0 5.00 1888 1447 A 57 VAL HA A 56 LYS HGy 1.0 0.0 5.00 1889 1448 A 59 ASP HB2 A 56 LYS HGx 1.0 0.0 5.68 1890 1448 A 59 ASP HB2 A 56 LYS HGy 1.0 0.0 5.68 1891 1449 A 57 VAL HGx% A 61 GLU HBx 1.0 0.0 4.98 1892 1449 A 57 VAL HGx% A 61 GLU HBy 1.0 0.0 4.98 1893 1450 A 57 VAL HGx% A 61 GLU HGy 1.0 0.0 4.30 1894 1450 A 57 VAL HGx% A 61 GLU HGx 1.0 0.0 4.30 1895 1451 A 58 PHE HA A 61 GLU HBx 1.0 0.0 4.59 1896 1451 A 58 PHE HA A 61 GLU HBy 1.0 0.0 4.59 1897 1452 A 58 PHE HA A 63 ASP HBx 1.0 0.0 4.44 1898 1452 A 58 PHE HA A 63 ASP HBy 1.0 0.0 4.44 1899 1453 A 58 PHE HB3 A 63 ASP HBx 1.0 0.0 4.39 1900 1453 A 58 PHE HB3 A 63 ASP HBy 1.0 0.0 4.39 1901 1454 A 58 PHE HD% A 63 ASP HBx 1.0 0.0 4.06 1902 1454 A 58 PHE HD% A 63 ASP HBy 1.0 0.0 4.06 1903 1455 A 58 PHE HD% A 66 GLY HAy 1.0 0.0 4.20 1904 1455 A 58 PHE HD% A 66 GLY HAx 1.0 0.0 4.20 1905 1456 A 58 PHE HZ A 66 GLY HAy 1.0 0.0 5.53 1906 1456 A 58 PHE HZ A 66 GLY HAx 1.0 0.0 5.53 1907 1457 A 60 ALA HB% A 61 GLU HGy 1.0 0.0 4.42 1908 1457 A 60 ALA HB% A 61 GLU HGx 1.0 0.0 4.42 1909 1458 A 61 GLU H A 61 GLU HBx 1.0 0.0 3.44 1910 1458 A 61 GLU H A 61 GLU HBy 1.0 0.0 3.44 1911 1459 A 61 GLU H A 61 GLU HGy 1.0 0.0 3.97 1912 1459 A 61 GLU H A 61 GLU HGx 1.0 0.0 3.97 1913 1460 A 61 GLU H A 63 ASP HBx 1.0 0.0 5.87 1914 1460 A 61 GLU H A 63 ASP HBy 1.0 0.0 5.87 1915 1461 A 62 HIS H A 61 GLU HBx 1.0 0.0 4.46 1916 1461 A 62 HIS H A 61 GLU HBy 1.0 0.0 4.46 1917 1462 A 63 ASP H A 61 GLU HBx 1.0 0.0 4.27 1918 1462 A 63 ASP H A 61 GLU HBy 1.0 0.0 4.27 1919 1463 A 61 GLU HBy A 63 ASP HBx 1.0 0.0 4.96 1920 1463 A 63 ASP HBy A 61 GLU HBx 1.0 0.0 4.96 1921 1463 A 61 GLU HBy A 63 ASP HBy 1.0 0.0 4.96 1922 1463 A 61 GLU HBx A 63 ASP HBx 1.0 0.0 4.96 1923 1464 A 62 HIS HD2 A 62 HIS HBy 1.0 0.0 3.49 1924 1464 A 62 HIS HD2 A 62 HIS HBx 1.0 0.0 3.49 1925 1465 A 63 ASP H A 63 ASP HBx 1.0 0.0 3.55 1926 1465 A 63 ASP H A 63 ASP HBy 1.0 0.0 3.55 1927 1466 A 64 THR H A 63 ASP HBx 1.0 0.0 4.70 1928 1466 A 64 THR H A 63 ASP HBy 1.0 0.0 4.70 1929 1467 A 66 GLY H A 63 ASP HBx 1.0 0.0 4.19 1930 1467 A 66 GLY H A 63 ASP HBy 1.0 0.0 4.19 1931 1468 A 67 ALA H A 63 ASP HBx 1.0 0.0 4.79 1932 1468 A 67 ALA H A 63 ASP HBy 1.0 0.0 4.79 1933 1469 A 65 ASP HA A 68 ARG HGx 1.0 0.0 4.92 1934 1469 A 65 ASP HA A 68 ARG HGy 1.0 0.0 4.92 1935 1470 A 69 ARG H A 66 GLY HAy 1.0 0.0 4.60 1936 1470 A 69 ARG H A 66 GLY HAx 1.0 0.0 4.60 1937 1471 A 68 ARG H A 68 ARG HGx 1.0 0.0 3.74 1938 1471 A 68 ARG H A 68 ARG HGy 1.0 0.0 3.74 1939 1472 A 68 ARG HA A 68 ARG HGx 1.0 0.0 3.93 1940 1472 A 68 ARG HA A 68 ARG HGy 1.0 0.0 3.93 1941 1473 A 69 ARG H A 68 ARG HGx 1.0 0.0 5.13 1942 1473 A 69 ARG H A 68 ARG HGy 1.0 0.0 5.13 1943 1474 A 69 ARG H A 69 ARG HBy 1.0 0.0 3.16 1944 1474 A 69 ARG H A 69 ARG HBx 1.0 0.0 3.16 1945 1475 A 69 ARG H A 69 ARG HGy 1.0 0.0 4.67 1946 1475 A 69 ARG H A 69 ARG HGx 1.0 0.0 4.67 1947 1476 A 69 ARG HA A 69 ARG HGy 1.0 0.0 3.57 1948 1476 A 69 ARG HA A 69 ARG HGx 1.0 0.0 3.57 1949 1477 A 69 ARG HA A 69 ARG HDy 1.0 0.0 5.13 1950 1477 A 69 ARG HA A 69 ARG HDx 1.0 0.0 5.13 1951 1478 A 69 ARG HA A 72 LYS HBx 1.0 0.0 4.11 1952 1478 A 69 ARG HA A 72 LYS HBy 1.0 0.0 4.11 1953 1479 A 69 ARG HBy A 69 ARG HDy 1.0 0.0 3.39 1954 1479 A 69 ARG HDx A 69 ARG HBy 1.0 0.0 3.39 1955 1479 A 69 ARG HDx A 69 ARG HBx 1.0 0.0 3.39 1956 1479 A 69 ARG HBx A 69 ARG HDy 1.0 0.0 3.39 1957 1480 A 70 ALA H A 69 ARG HBy 1.0 0.0 4.01 1958 1480 A 70 ALA H A 69 ARG HBx 1.0 0.0 4.01 1959 1481 A 70 ALA HA A 69 ARG HBy 1.0 0.0 5.61 1960 1481 A 70 ALA HA A 69 ARG HBx 1.0 0.0 5.61 1961 1482 A 70 ALA HA A 73 SER HBy 1.0 0.0 3.97 1962 1482 A 70 ALA HA A 73 SER HBx 1.0 0.0 3.97 1963 1483 A 71 ALA HA A 74 LEU HBy 1.0 0.0 3.56 1964 1483 A 71 ALA HA A 74 LEU HBx 1.0 0.0 3.56 1965 1484 A 72 LYS H A 72 LYS HGx 1.0 0.0 4.57 1966 1484 A 72 LYS H A 72 LYS HGy 1.0 0.0 4.57 1967 1485 A 72 LYS HBx A 72 LYS HE2 1.0 0.0 4.97 1968 1485 A 72 LYS HBy A 72 LYS HE2 1.0 0.0 4.97 1969 1485 A 72 LYS HE3 A 72 LYS HBx 1.0 0.0 4.97 1970 1485 A 72 LYS HE3 A 72 LYS HBy 1.0 0.0 4.97 1971 1486 A 73 SER H A 72 LYS HBx 1.0 0.0 3.56 1972 1486 A 73 SER H A 72 LYS HBy 1.0 0.0 3.56 1973 1487 A 73 SER HA A 72 LYS HBx 1.0 0.0 5.19 1974 1487 A 73 SER HA A 72 LYS HBy 1.0 0.0 5.19 1975 1488 A 73 SER H A 72 LYS HGx 1.0 0.0 5.03 1976 1488 A 73 SER H A 72 LYS HGy 1.0 0.0 5.03 1977 1489 A 73 SER H A 73 SER HBy 1.0 0.0 3.55 1978 1489 A 73 SER H A 73 SER HBx 1.0 0.0 3.55 1979 1490 A 73 SER HA A 76 GLU HBx 1.0 0.0 3.89 1980 1490 A 73 SER HA A 76 GLU HBy 1.0 0.0 3.89 1981 1491 A 74 LEU H A 73 SER HBy 1.0 0.0 3.90 1982 1491 A 74 LEU H A 73 SER HBx 1.0 0.0 3.90 1983 1492 A 74 LEU H A 74 LEU HBy 1.0 0.0 3.20 1984 1492 A 74 LEU H A 74 LEU HBx 1.0 0.0 3.20 1985 1493 A 74 LEU HDy% A 74 LEU HBy 1.0 0.0 3.43 1986 1493 A 74 LEU HDy% A 74 LEU HBx 1.0 0.0 3.43 1987 1494 A 78 TYR HE% A 74 LEU HBy 1.0 0.0 3.54 1988 1494 A 78 TYR HE% A 74 LEU HBx 1.0 0.0 3.54 1989 1495 A 76 GLU H A 76 GLU HBx 1.0 0.0 3.19 1990 1495 A 76 GLU H A 76 GLU HBy 1.0 0.0 3.19 1991 1496 A 76 GLU H A 76 GLU HGx 1.0 0.0 3.41 1992 1496 A 76 GLU H A 76 GLU HGy 1.0 0.0 3.41 1993 1497 A 76 GLU HA A 76 GLU HGx 1.0 0.0 3.49 1994 1497 A 76 GLU HA A 76 GLU HGy 1.0 0.0 3.49 1995 1498 A 76 GLU HA A 79 GLN HGx 1.0 0.0 4.32 1996 1498 A 76 GLU HA A 79 GLN HGy 1.0 0.0 4.32 1997 1499 A 77 ALA H A 76 GLU HBx 1.0 0.0 3.62 1998 1499 A 77 ALA H A 76 GLU HBy 1.0 0.0 3.62 1999 1500 A 77 ALA H A 76 GLU HGx 1.0 0.0 4.76 2000 1500 A 77 ALA H A 76 GLU HGy 1.0 0.0 4.76 2001 1501 A 79 GLN HE22 A 76 GLU HGx 1.0 0.0 6.10 2002 1501 A 79 GLN HE22 A 76 GLU HGy 1.0 0.0 6.10 2003 1502 A 77 ALA HA A 80 LYS HGx 1.0 0.0 4.60 2004 1502 A 77 ALA HA A 80 LYS HGy 1.0 0.0 4.60 2005 1503 A 79 GLN H A 79 GLN HGx 1.0 0.0 3.62 2006 1503 A 79 GLN H A 79 GLN HGy 1.0 0.0 3.62 2007 1504 A 79 GLN HA A 79 GLN HGx 1.0 0.0 3.55 2008 1504 A 79 GLN HA A 79 GLN HGy 1.0 0.0 3.55 2009 1505 A 79 GLN HA A 82 GLU HBx 1.0 0.0 4.50 2010 1505 A 79 GLN HA A 82 GLU HBy 1.0 0.0 4.50 2011 1506 A 79 GLN HB2 A 80 LYS HGx 1.0 0.0 4.57 2012 1506 A 79 GLN HB3 A 80 LYS HGx 1.0 0.0 4.57 2013 1506 A 80 LYS HGy A 79 GLN HB2 1.0 0.0 4.57 2014 1506 A 79 GLN HB3 A 80 LYS HGy 1.0 0.0 4.57 2015 1507 A 80 LYS H A 80 LYS HGx 1.0 0.0 3.75 2016 1507 A 80 LYS H A 80 LYS HGy 1.0 0.0 3.75 2017 1508 A 80 LYS HA A 80 LYS HGx 1.0 0.0 3.56 2018 1508 A 80 LYS HA A 80 LYS HGy 1.0 0.0 3.56 2019 1509 A 81 VAL HGx% A 82 GLU HGy 1.0 0.0 4.86 2020 1509 A 81 VAL HGx% A 82 GLU HGx 1.0 0.0 4.86 2021 1510 A 82 GLU H A 82 GLU HBx 1.0 0.0 3.64 2022 1510 A 82 GLU H A 82 GLU HBy 1.0 0.0 3.64 2023 1511 A 82 GLU H A 82 GLU HGy 1.0 0.0 4.48 2024 1511 A 82 GLU H A 82 GLU HGx 1.0 0.0 4.48 2025 1512 A 82 GLU HA A 82 GLU HGy 1.0 0.0 3.91 2026 1512 A 82 GLU HA A 82 GLU HGx 1.0 0.0 3.91 2027 1513 A 83 GLY H A 82 GLU HBx 1.0 0.0 4.64 2028 1513 A 83 GLY H A 82 GLU HBy 1.0 0.0 4.64 2029 1514 A 82 GLU HBy A 83 GLY HA2 1.0 0.0 5.06 2030 1514 A 82 GLU HBx A 83 GLY HA2 1.0 0.0 5.06 2031 1514 A 83 GLY HA3 A 82 GLU HBx 1.0 0.0 5.06 2032 1514 A 83 GLY HA3 A 82 GLU HBy 1.0 0.0 5.06 2033 1515 A 83 GLY H A 82 GLU HGy 1.0 0.0 5.01 2034 1515 A 83 GLY H A 82 GLU HGx 1.0 0.0 5.01 2035 1516 A 87 LYS H A 87 LYS HBy 1.0 0.0 3.83 2036 1516 A 87 LYS H A 87 LYS HBx 1.0 0.0 3.83 2037 1517 A 89 LYS H A 89 LYS HBy 1.0 0.0 3.80 2038 1517 A 89 LYS H A 89 LYS HBx 1.0 0.0 3.80 2039 1518 A 89 LYS H A 89 LYS HGy 1.0 0.0 4.60 2040 1518 A 89 LYS H A 89 LYS HGx 1.0 0.0 4.60 2041 1519 A 90 ILE H A 89 LYS HBy 1.0 0.0 4.41 2042 1519 A 90 ILE H A 89 LYS HBx 1.0 0.0 4.41 2043 1520 A 90 ILE H A 89 LYS HGy 1.0 0.0 4.76 2044 1520 A 90 ILE H A 89 LYS HGx 1.0 0.0 4.76 2045 1521 A 90 ILE H A 90 ILE HG1y 1.0 0.0 4.01 2046 1521 A 90 ILE H A 90 ILE HG1x 1.0 0.0 4.01 2047 1522 A 91 PHE H A 91 PHE HBx 1.0 0.0 3.62 2048 1522 A 91 PHE H A 91 PHE HBy 1.0 0.0 3.62 2049 1523 A 93 LYS H A 92 GLN HBy 1.0 0.0 4.69 2050 1523 A 93 LYS H A 92 GLN HBx 1.0 0.0 4.69 2051 1524 A 94 GLU H A 93 LYS HBy 1.0 0.0 4.61 2052 1524 A 94 GLU H A 93 LYS HBx 1.0 0.0 4.61 2053 1525 A 94 GLU H A 94 GLU HBx 1.0 0.0 3.79 2054 1525 A 94 GLU H A 94 GLU HBy 1.0 0.0 3.79 2055 1526 A 96 GLU H A 96 GLU HBy 1.0 0.0 3.76 2056 1526 A 96 GLU H A 96 GLU HBx 1.0 0.0 3.76 2057 1527 A 98 ILE H A 98 ILE HG1x 1.0 0.0 4.11 2058 1527 A 98 ILE H A 98 ILE HG1y 1.0 0.0 4.11 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLY C A 3 SER N A 3 SER CA A 3 SER C 1.0 -79.0 -52.8 PHI 2 2 A 3 SER N A 3 SER CA A 3 SER C A 4 PRO N 1.0 133.0 171.4 PSI 3 3 A 4 PRO C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -80.0 -57.2 PHI 4 4 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 GLU N 1.0 -50.5 -23.5 PSI 5 5 A 5 ASP C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -80.7 -60.7 PHI 6 6 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 ASN N 1.0 -46.8 -26.8 PSI 7 7 A 6 GLU C A 7 ASN N A 7 ASN CA A 7 ASN C 1.0 -76.3 -56.3 PHI 8 8 A 7 ASN N A 7 ASN CA A 7 ASN C A 8 ILE N 1.0 -48.7 -28.7 PSI 9 9 A 7 ASN C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -73.4 -53.4 PHI 10 10 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 ALA N 1.0 -53.8 -33.8 PSI 11 11 A 8 ILE C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -74.9 -54.9 PHI 12 12 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 LYS N 1.0 -50.7 -30.7 PSI 13 13 A 9 ALA C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -75.3 -55.3 PHI 14 14 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 PHE N 1.0 -51.2 -31.2 PSI 15 15 A 10 LYS C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -76.4 -56.4 PHI 16 16 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 GLU N 1.0 -49.0 -27.8 PSI 17 17 A 11 PHE C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -74.9 -54.9 PHI 18 18 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 LYS N 1.0 -48.8 -28.8 PSI 19 19 A 12 GLU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -76.5 -56.5 PHI 20 20 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 ALA N 1.0 -50.6 -30.6 PSI 21 21 A 13 LYS C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -76.3 -56.3 PHI 22 22 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 TYR N 1.0 -49.4 -29.4 PSI 23 23 A 14 ALA C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -74.3 -54.3 PHI 24 24 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 LYS N 1.0 -54.9 -33.5 PSI 25 25 A 15 TYR C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -76.0 -56.0 PHI 26 26 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LYS N 1.0 -48.3 -26.9 PSI 27 27 A 16 LYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -76.7 -56.7 PHI 28 28 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ALA N 1.0 -49.1 -29.1 PSI 29 29 A 17 LYS C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -75.3 -52.3 PHI 30 30 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLU N 1.0 -49.0 -29.0 PSI 31 31 A 18 ALA C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -75.4 -55.4 PHI 32 32 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 GLU N 1.0 -49.6 -29.6 PSI 33 33 A 19 GLU C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -75.5 -55.5 PHI 34 34 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LEU N 1.0 -39.4 -19.4 PSI 35 35 A 20 GLU C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -104.9 -78.3 PHI 36 36 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 ASN N 1.0 -14.0 29.8 PSI 37 37 A 21 LEU C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 47.2 77.0 PHI 38 38 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 GLN N 1.0 23.2 49.8 PSI 39 39 A 24 GLY C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -74.4 -54.4 PHI 40 40 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LEU N 1.0 -52.3 -26.9 PSI 41 41 A 25 GLU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -78.1 -58.1 PHI 42 42 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 MET N 1.0 -50.1 -28.3 PSI 43 43 A 26 LEU C A 27 MET N A 27 MET CA A 27 MET C 1.0 -74.8 -54.8 PHI 44 44 A 27 MET N A 27 MET CA A 27 MET C A 28 GLY N 1.0 -55.1 -35.1 PSI 45 45 A 27 MET C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -71.9 -51.9 PHI 46 46 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 ARG N 1.0 -50.3 -30.3 PSI 47 47 A 28 GLY C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -74.7 -54.7 PHI 48 48 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ALA N 1.0 -52.1 -32.1 PSI 49 49 A 29 ARG C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -76.2 -56.2 PHI 50 50 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 LEU N 1.0 -51.6 -31.6 PSI 51 51 A 30 ALA C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -74.9 -54.9 PHI 52 52 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 TYR N 1.0 -50.8 -30.8 PSI 53 53 A 31 LEU C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -73.5 -52.7 PHI 54 54 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 ASN N 1.0 -55.5 -35.5 PSI 55 55 A 32 TYR C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -73.9 -53.9 PHI 56 56 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 ILE N 1.0 -48.4 -28.4 PSI 57 57 A 33 ASN C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -76.3 -56.3 PHI 58 58 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 GLY N 1.0 -53.6 -33.6 PSI 59 59 A 34 ILE C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -73.5 -53.5 PHI 60 60 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 LEU N 1.0 -52.4 -32.4 PSI 61 61 A 35 GLY C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -75.0 -55.0 PHI 62 62 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLU N 1.0 -51.4 -31.4 PSI 63 63 A 36 LEU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -79.1 -59.1 PHI 64 64 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 LYS N 1.0 -48.5 -28.5 PSI 65 65 A 37 GLU C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -76.6 -56.6 PHI 66 66 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ASN N 1.0 -51.4 -27.4 PSI 67 67 A 38 LYS C A 39 ASN N A 39 ASN CA A 39 ASN C 1.0 -74.6 -54.6 PHI 68 68 A 39 ASN N A 39 ASN CA A 39 ASN C A 40 LYS N 1.0 -50.0 -30.0 PSI 69 69 A 39 ASN C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -74.1 -54.1 PHI 70 70 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 MET N 1.0 -38.6 -18.2 PSI 71 71 A 40 LYS C A 41 MET N A 41 MET CA A 41 MET C 1.0 -98.9 -75.3 PHI 72 72 A 41 MET N A 41 MET CA A 41 MET C A 42 GLY N 1.0 -19.4 13.2 PSI 73 73 A 42 GLY C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -97.9 -77.1 PHI 74 74 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 VAL N 1.0 56.6 88.0 PSI 75 75 A 43 LYS C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -76.7 -56.7 PHI 76 76 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 LYS N 1.0 -51.0 -26.8 PSI 77 77 A 44 VAL C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -70.8 -50.8 PHI 78 78 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 GLU N 1.0 -54.3 -34.3 PSI 79 79 A 45 LYS C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -79.2 -59.2 PHI 80 80 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ALA N 1.0 -49.0 -29.0 PSI 81 81 A 46 GLU C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -75.0 -55.0 PHI 82 82 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ILE N 1.0 -50.9 -30.9 PSI 83 83 A 47 ALA C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -72.2 -52.2 PHI 84 84 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 GLU N 1.0 -53.8 -33.8 PSI 85 85 A 48 ILE C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -74.4 -54.4 PHI 86 86 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 TYR N 1.0 -50.8 -30.8 PSI 87 87 A 49 GLU C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -72.7 -52.7 PHI 88 88 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 PHE N 1.0 -52.7 -32.7 PSI 89 89 A 50 TYR C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -76.5 -56.5 PHI 90 90 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 LEU N 1.0 -49.4 -29.0 PSI 91 91 A 51 PHE C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -74.7 -54.7 PHI 92 92 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ARG N 1.0 -50.2 -30.2 PSI 93 93 A 52 LEU C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -76.8 -56.8 PHI 94 94 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 ALA N 1.0 -52.3 -32.3 PSI 95 95 A 53 ARG C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -75.7 -55.7 PHI 96 96 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 LYS N 1.0 -48.9 -28.9 PSI 97 97 A 54 ALA C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -72.5 -52.5 PHI 98 98 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LYS N 1.0 -52.3 -32.3 PSI 99 99 A 55 LYS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -73.1 -53.1 PHI 100 100 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 VAL N 1.0 -51.0 -31.0 PSI 101 101 A 56 LYS C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -75.9 -55.9 PHI 102 102 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 PHE N 1.0 -54.1 -34.1 PSI 103 103 A 57 VAL C A 58 PHE N A 58 PHE CA A 58 PHE C 1.0 -74.9 -54.9 PHI 104 104 A 58 PHE N A 58 PHE CA A 58 PHE C A 59 ASP N 1.0 -52.3 -25.5 PSI 105 105 A 58 PHE C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -75.8 -55.8 PHI 106 106 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 ALA N 1.0 -49.5 -29.5 PSI 107 107 A 59 ASP C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -76.0 -56.0 PHI 108 108 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLU N 1.0 -36.9 -16.5 PSI 109 109 A 60 ALA C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -104.8 -73.6 PHI 110 110 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 HIS N 1.0 -12.8 22.6 PSI 111 111 A 61 GLU C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 47.4 71.2 PHI 112 112 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 ASP N 1.0 22.0 51.2 PSI 113 113 A 62 HIS C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -114.5 -83.7 PHI 114 114 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 THR N 1.0 67.5 100.7 PSI 115 115 A 63 ASP C A 64 THR N A 64 THR CA A 64 THR C 1.0 -76.5 -49.1 PHI 116 116 A 64 THR N A 64 THR CA A 64 THR C A 65 ASP N 1.0 -50.7 -23.7 PSI 117 117 A 64 THR C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -72.8 -52.8 PHI 118 118 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 GLY N 1.0 -57.6 -33.6 PSI 119 119 A 65 ASP C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 -74.5 -54.5 PHI 120 120 A 66 GLY N A 66 GLY CA A 66 GLY C A 67 ALA N 1.0 -51.0 -31.0 PSI 121 121 A 66 GLY C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -74.6 -54.6 PHI 122 122 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 ARG N 1.0 -52.1 -32.1 PSI 123 123 A 67 ALA C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -73.5 -53.5 PHI 124 124 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 ARG N 1.0 -52.4 -32.4 PSI 125 125 A 68 ARG C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -75.7 -55.7 PHI 126 126 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 ALA N 1.0 -52.9 -32.9 PSI 127 127 A 69 ARG C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -74.5 -54.5 PHI 128 128 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ALA N 1.0 -52.6 -29.2 PSI 129 129 A 70 ALA C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -74.3 -54.3 PHI 130 130 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 LYS N 1.0 -48.0 -28.0 PSI 131 131 A 71 ALA C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -76.1 -56.1 PHI 132 132 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 SER N 1.0 -49.1 -29.1 PSI 133 133 A 72 LYS C A 73 SER N A 73 SER CA A 73 SER C 1.0 -75.9 -55.9 PHI 134 134 A 73 SER N A 73 SER CA A 73 SER C A 74 LEU N 1.0 -50.7 -30.7 PSI 135 135 A 73 SER C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -74.1 -54.1 PHI 136 136 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 SER N 1.0 -53.7 -33.7 PSI 137 137 A 74 LEU C A 75 SER N A 75 SER CA A 75 SER C 1.0 -73.3 -53.3 PHI 138 138 A 75 SER N A 75 SER CA A 75 SER C A 76 GLU N 1.0 -49.2 -29.2 PSI 139 139 A 75 SER C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -76.6 -56.6 PHI 140 140 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ALA N 1.0 -49.3 -29.3 PSI 141 141 A 76 GLU C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -75.2 -55.2 PHI 142 142 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 TYR N 1.0 -53.8 -27.2 PSI 143 143 A 77 ALA C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -76.7 -56.7 PHI 144 144 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 GLN N 1.0 -45.6 -24.6 PSI 145 145 A 78 TYR C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -77.4 -56.6 PHI 146 146 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 LYS N 1.0 -43.9 -22.7 PSI 147 147 A 79 GLN C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -82.5 -59.5 PHI 148 148 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 VAL N 1.0 -44.1 -5.7 PSI stop_ save_ save_N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode N _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 5.4968 . 2 ppm 1H 10.9936 . 3 ppm 15N 24.1950 . stop_ save_ save_C_aliphatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode C_aliphatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 10.9936 . 2 ppm 1H 10.9936 . 3 ppm 13C 44.0066 . stop_ save_ save_C_aromatic _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode C_aromatic _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 5.4968 . 2 ppm 1H 10.9936 . 3 ppm 13C 44.0066 . stop_ save_