data_nef_c25868_2n8w 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 2N8W 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 ALA . . . 2 A 2 ASP . . . 3 A 3 GLU . . . 4 A 4 ASN . . . 5 A 5 ILE . . . 6 A 6 ALA . . . 7 A 7 LYS . . . 8 A 8 PHE . . . 9 A 9 GLU . . . 10 A 10 LYS . . . 11 A 11 ALA . . . 12 A 12 TYR . . . 13 A 13 LYS . . . 14 A 14 LYS . . . 15 A 15 ALA . . . 16 A 16 GLU . . . 17 A 17 GLU . . . 18 A 18 LEU . . . 19 A 19 ASN . . . 20 A 20 GLN . . . 21 A 21 GLY . . . 22 A 22 GLU . . . 23 A 23 LEU . . . 24 A 24 MET . . . 25 A 25 GLY . . . 26 A 26 ARG . . . 27 A 27 ALA . . . 28 A 28 LEU . . . 29 A 29 TYR . . . 30 A 30 ASN . . . 31 A 31 ILE . . . 32 A 32 GLY . . . 33 A 33 LEU . . . 34 A 34 GLU . . . 35 A 35 LYS . . . 36 A 36 ASN . . . 37 A 37 LYS . . . 38 A 38 MET . . . 39 A 39 GLY . . . 40 A 40 LYS . . . 41 A 41 ALA . . . 42 A 42 ARG . . . 43 A 43 GLU . . . 44 A 44 ALA . . . 45 A 45 ALA . . . 46 A 46 GLU . . . 47 A 47 TYR . . . 48 A 48 PHE . . . 49 A 49 PHE . . . 50 A 50 ARG . . . 51 A 51 ALA . . . 52 A 52 ALA . . . 53 A 53 ILE . . . 54 A 54 VAL . . . 55 A 55 PHE . . . 56 A 56 TYR . . . 57 A 57 LYS . . . 58 A 58 GLU . . . 59 A 59 HIS . . . 60 A 60 ASP . . . 61 A 61 THR . . . 62 A 62 ASP . . . 63 A 63 GLY . . . 64 A 64 LEU . . . 65 A 65 ARG . . . 66 A 66 ARG . . . 67 A 67 ALA . . . 68 A 68 ALA . . . 69 A 69 LYS . . . 70 A 70 SER . . . 71 A 71 LEU . . . 72 A 72 LYS . . . 73 A 73 GLU . . . 74 A 74 ALA . . . 75 A 75 ILE . . . 76 A 76 THR . . . 77 A 77 ALA . . . 78 A 78 ILE . . . 79 A 79 PRO . . . 80 A 80 GLU . . . 81 A 81 GLU . . . 82 A 82 GLU . . . 83 A 83 GLY . . . 84 A 84 ARG . . . 85 A 85 LYS . . . 86 A 86 GLU . . . 87 A 87 ALA . . . 88 A 88 LYS . . . 89 A 89 GLU . . . 90 A 90 MET . . . 91 A 91 ALA . . . 92 A 92 LYS . . . 93 A 93 LYS . . . 94 A 94 ALA . . . 95 A 95 GLU . . . 96 A 96 GLU . . . 97 A 97 TRP . . . 98 A 98 LEU . . . 99 A 99 GLN . . . 100 A 100 ALA . . . 101 A 101 GLU . . . 102 A 102 GLN . . . 103 A 103 ASN . . . 104 A 104 ASN . . . 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 ASP HA H 1 4.574 0.010 A 2 ASP HBx H 1 2.602 0.010 A 2 ASP HBy H 1 2.719 0.010 A 2 ASP C C 13 176.630 0.100 A 2 ASP CA C 13 55.042 0.100 A 2 ASP CB C 13 40.901 0.100 A 3 GLU H H 1 8.889 0.010 A 3 GLU HA H 1 4.180 0.010 A 3 GLU HBx H 1 1.958 0.010 A 3 GLU HBy H 1 2.027 0.010 A 3 GLU HG2 H 1 2.275 0.010 A 3 GLU HG3 H 1 2.275 0.010 A 3 GLU CA C 13 57.896 0.100 A 3 GLU CB C 13 29.407 0.100 A 3 GLU CG C 13 36.117 0.100 A 3 GLU N N 15 121.683 0.100 A 4 ASN HA H 1 4.445 0.010 A 4 ASN HBy H 1 2.821 0.010 A 4 ASN HBx H 1 2.642 0.010 A 4 ASN HD2y H 1 7.870 0.010 A 4 ASN HD2x H 1 6.968 0.010 A 4 ASN C C 13 176.095 0.100 A 4 ASN CA C 13 54.645 0.100 A 4 ASN CB C 13 37.806 0.100 A 4 ASN ND2 N 15 113.293 0.100 A 5 ILE H H 1 8.018 0.010 A 5 ILE HA H 1 3.877 0.010 A 5 ILE HB H 1 1.943 0.010 A 5 ILE HD1% H 1 0.826 0.010 A 5 ILE HG1y H 1 1.606 0.010 A 5 ILE HG1x H 1 1.107 0.010 A 5 ILE HG2% H 1 0.884 0.010 A 5 ILE CA C 13 64.081 0.100 A 5 ILE CB C 13 37.691 0.100 A 5 ILE CD1 C 13 13.400 0.100 A 5 ILE CG1 C 13 29.059 0.100 A 5 ILE CG2 C 13 17.211 0.100 A 5 ILE N N 15 119.355 0.100 A 6 ALA H H 1 8.041 0.010 A 6 ALA HA H 1 4.249 0.010 A 6 ALA HB% H 1 1.406 0.010 A 6 ALA CA C 13 54.171 0.100 A 6 ALA CB C 13 18.244 0.100 A 6 ALA N N 15 123.430 0.100 A 7 LYS HA H 1 4.030 0.010 A 7 LYS HBy H 1 1.679 0.010 A 7 LYS HBx H 1 1.635 0.010 A 7 LYS HD2 H 1 1.515 0.010 A 7 LYS HD3 H 1 1.515 0.010 A 7 LYS HE2 H 1 2.788 0.010 A 7 LYS HE3 H 1 2.788 0.010 A 7 LYS HGx H 1 1.120 0.010 A 7 LYS HGy H 1 1.286 0.010 A 7 LYS C C 13 178.778 0.100 A 7 LYS CA C 13 58.754 0.100 A 7 LYS CB C 13 32.013 0.100 A 7 LYS CD C 13 29.184 0.100 A 7 LYS CE C 13 41.922 0.100 A 7 LYS CG C 13 24.594 0.100 A 8 PHE H H 1 7.908 0.010 A 8 PHE HA H 1 4.674 0.010 A 8 PHE HBx H 1 2.980 0.010 A 8 PHE HBy H 1 3.324 0.010 A 8 PHE HD1 H 1 7.190 0.010 A 8 PHE HD2 H 1 7.190 0.010 A 8 PHE HE1 H 1 7.334 0.010 A 8 PHE HE2 H 1 7.334 0.010 A 8 PHE HZ H 1 7.294 0.010 A 8 PHE C C 13 177.470 0.100 A 8 PHE CA C 13 59.155 0.100 A 8 PHE CB C 13 39.276 0.100 A 8 PHE CD1 C 13 131.169 0.100 A 8 PHE CD2 C 13 131.169 0.100 A 8 PHE CE1 C 13 131.444 0.100 A 8 PHE CE2 C 13 131.444 0.100 A 8 PHE CZ C 13 129.791 0.100 A 8 PHE N N 15 120.439 0.100 A 9 GLU HA H 1 4.129 0.010 A 9 GLU HB2 H 1 2.044 0.010 A 9 GLU HB3 H 1 2.044 0.010 A 9 GLU HGx H 1 2.173 0.010 A 9 GLU HGy H 1 2.412 0.010 A 9 GLU CA C 13 59.112 0.100 A 9 GLU CB C 13 29.794 0.100 A 9 GLU CG C 13 36.747 0.100 A 11 ALA H H 1 7.945 0.010 A 11 ALA HA H 1 4.206 0.010 A 11 ALA HB% H 1 1.582 0.010 A 11 ALA CA C 13 54.170 0.100 A 11 ALA CB C 13 18.261 0.100 A 11 ALA N N 15 122.712 0.100 A 12 TYR HA H 1 4.121 0.010 A 12 TYR HB2 H 1 3.043 0.010 A 12 TYR HB3 H 1 3.204 0.010 A 12 TYR HD1 H 1 7.140 0.010 A 12 TYR HD2 H 1 7.140 0.010 A 12 TYR HE1 H 1 6.738 0.010 A 12 TYR HE2 H 1 6.738 0.010 A 12 TYR CA C 13 59.166 0.100 A 12 TYR CB C 13 38.000 0.100 A 12 TYR CD1 C 13 132.711 0.100 A 12 TYR CD2 C 13 132.711 0.100 A 12 TYR CE1 C 13 118.280 0.100 A 12 TYR CE2 C 13 118.280 0.100 A 13 LYS H H 1 8.017 0.010 A 13 LYS HA H 1 4.040 0.010 A 13 LYS HB2 H 1 1.876 0.010 A 13 LYS HB3 H 1 1.876 0.010 A 13 LYS HD2 H 1 1.703 0.010 A 13 LYS HD3 H 1 1.703 0.010 A 13 LYS HE2 H 1 2.956 0.010 A 13 LYS HE3 H 1 2.956 0.010 A 13 LYS HG2 H 1 1.559 0.010 A 13 LYS HG3 H 1 1.559 0.010 A 13 LYS CA C 13 57.813 0.100 A 13 LYS CB C 13 32.327 0.100 A 13 LYS CD C 13 29.406 0.100 A 13 LYS CE C 13 41.958 0.100 A 13 LYS CG C 13 25.098 0.100 A 13 LYS N N 15 120.452 0.100 A 14 LYS H H 1 8.011 0.010 A 14 LYS HA H 1 4.154 0.010 A 14 LYS HB2 H 1 1.869 0.010 A 14 LYS HB3 H 1 1.869 0.010 A 14 LYS HD2 H 1 1.694 0.010 A 14 LYS HD3 H 1 1.694 0.010 A 14 LYS HE2 H 1 2.946 0.010 A 14 LYS HE3 H 1 2.946 0.010 A 14 LYS HG2 H 1 1.485 0.010 A 14 LYS HG3 H 1 1.485 0.010 A 14 LYS CA C 13 57.675 0.100 A 14 LYS CB C 13 32.196 0.100 A 14 LYS CD C 13 28.571 0.100 A 14 LYS CE C 13 41.915 0.100 A 14 LYS CG C 13 24.433 0.100 A 15 ALA HA H 1 4.272 0.010 A 15 ALA HB% H 1 1.435 0.010 A 15 ALA C C 13 179.056 0.100 A 15 ALA CA C 13 53.971 0.100 A 15 ALA CB C 13 18.684 0.100 A 16 GLU H H 1 8.599 0.010 A 16 GLU HA H 1 4.215 0.010 A 16 GLU HB2 H 1 2.058 0.010 A 16 GLU HB3 H 1 2.058 0.010 A 16 GLU C C 13 179.176 0.100 A 16 GLU CA C 13 58.499 0.100 A 16 GLU CB C 13 29.915 0.100 A 16 GLU N N 15 120.136 0.100 A 17 GLU H H 1 8.009 0.010 A 17 GLU HA H 1 4.074 0.010 A 17 GLU HB2 H 1 2.106 0.010 A 17 GLU HB3 H 1 2.106 0.010 A 17 GLU HGx H 1 2.241 0.010 A 17 GLU HGy H 1 2.410 0.010 A 17 GLU CA C 13 58.104 0.100 A 17 GLU CB C 13 29.718 0.100 A 17 GLU CG C 13 36.150 0.100 A 17 GLU N N 15 120.683 0.100 A 18 LEU H H 1 7.614 0.010 A 18 LEU HA H 1 4.330 0.010 A 18 LEU HB2 H 1 1.618 0.010 A 18 LEU HB3 H 1 1.618 0.010 A 18 LEU HDx% H 1 0.853 0.010 A 18 LEU HDy% H 1 0.831 0.010 A 18 LEU HG H 1 1.691 0.010 A 18 LEU CA C 13 54.498 0.100 A 18 LEU CB C 13 41.969 0.100 A 18 LEU CD1 C 13 25.108 0.100 A 18 LEU CD2 C 13 22.543 0.100 A 18 LEU CG C 13 26.808 0.100 A 19 ASN HA H 1 4.409 0.010 A 19 ASN HBx H 1 2.737 0.010 A 19 ASN HBy H 1 3.058 0.010 A 19 ASN HD21 H 1 7.579 0.010 A 19 ASN HD22 H 1 6.871 0.010 A 19 ASN C C 13 174.609 0.100 A 19 ASN CA C 13 53.676 0.100 A 19 ASN CB C 13 37.825 0.100 A 19 ASN ND2 N 15 112.471 0.100 A 20 GLN H H 1 8.340 0.010 A 20 GLN HA H 1 4.460 0.010 A 20 GLN HB2 H 1 2.074 0.010 A 20 GLN HB3 H 1 2.074 0.010 A 20 GLN HE21 H 1 7.403 0.010 A 20 GLN HE22 H 1 6.603 0.010 A 20 GLN HGx H 1 2.253 0.010 A 20 GLN HGy H 1 2.315 0.010 A 20 GLN C C 13 176.659 0.100 A 20 GLN CA C 13 54.688 0.100 A 20 GLN CB C 13 28.164 0.100 A 20 GLN CG C 13 33.567 0.100 A 20 GLN N N 15 118.736 0.100 A 20 GLN NE2 N 15 110.504 0.100 A 21 GLY H H 1 8.455 0.010 A 21 GLY HAx H 1 3.774 0.010 A 21 GLY HAy H 1 3.911 0.010 A 21 GLY CA C 13 47.053 0.100 A 21 GLY N N 15 111.864 0.100 A 23 LEU HA H 1 4.263 0.010 A 23 LEU HBy H 1 1.829 0.010 A 23 LEU HBx H 1 1.532 0.010 A 23 LEU HDx% H 1 0.927 0.010 A 23 LEU HDy% H 1 0.886 0.010 A 23 LEU HG H 1 1.710 0.010 A 23 LEU C C 13 179.620 0.100 A 23 LEU CA C 13 56.394 0.100 A 23 LEU CB C 13 41.551 0.100 A 23 LEU CD1 C 13 25.084 0.100 A 23 LEU CD2 C 13 22.675 0.100 A 23 LEU CG C 13 27.198 0.100 A 24 MET H H 1 8.219 0.010 A 24 MET HA H 1 4.077 0.010 A 24 MET HBx H 1 2.137 0.010 A 24 MET HBy H 1 2.326 0.010 A 24 MET HE% H 1 2.032 0.010 A 24 MET HGx H 1 2.076 0.010 A 24 MET HGy H 1 2.425 0.010 A 24 MET CB C 13 34.035 0.100 A 24 MET CE C 13 16.850 0.100 A 24 MET CG C 13 32.168 0.100 A 24 MET N N 15 120.657 0.100 A 25 GLY H H 1 8.589 0.010 A 25 GLY HA2 H 1 3.183 0.010 A 25 GLY HA3 H 1 2.856 0.010 A 25 GLY C C 13 175.016 0.100 A 25 GLY CA C 13 47.771 0.100 A 25 GLY N N 15 106.956 0.100 A 26 ARG H H 1 8.297 0.010 A 26 ARG HA H 1 4.216 0.010 A 26 ARG HB2 H 1 2.009 0.010 A 26 ARG HB3 H 1 2.009 0.010 A 26 ARG HDx H 1 3.207 0.010 A 26 ARG HDy H 1 3.291 0.010 A 26 ARG HGy H 1 2.071 0.010 A 26 ARG HGx H 1 1.820 0.010 A 26 ARG C C 13 177.966 0.100 A 26 ARG CA C 13 59.727 0.100 A 26 ARG CB C 13 30.263 0.100 A 26 ARG CD C 13 43.496 0.100 A 26 ARG CG C 13 28.008 0.100 A 26 ARG N N 15 119.970 0.100 A 27 ALA H H 1 7.816 0.010 A 27 ALA HA H 1 4.264 0.010 A 27 ALA HB% H 1 1.738 0.010 A 27 ALA C C 13 179.878 0.100 A 27 ALA CA C 13 55.700 0.100 A 27 ALA CB C 13 18.323 0.100 A 27 ALA N N 15 121.499 0.100 A 28 LEU H H 1 8.066 0.010 A 28 LEU HA H 1 4.027 0.010 A 28 LEU HBy H 1 1.995 0.010 A 28 LEU HBx H 1 1.568 0.010 A 28 LEU HDx% H 1 0.733 0.010 A 28 LEU HDy% H 1 0.692 0.010 A 28 LEU HG H 1 1.953 0.010 A 28 LEU C C 13 178.158 0.100 A 28 LEU CA C 13 58.094 0.100 A 28 LEU CB C 13 42.254 0.100 A 28 LEU CD1 C 13 26.093 0.100 A 28 LEU CD2 C 13 22.313 0.100 A 28 LEU CG C 13 26.361 0.100 A 28 LEU N N 15 117.285 0.100 A 29 TYR H H 1 8.568 0.010 A 29 TYR HA H 1 3.994 0.010 A 29 TYR HB2 H 1 3.192 0.010 A 29 TYR HB3 H 1 3.407 0.010 A 29 TYR HD1 H 1 7.169 0.010 A 29 TYR HD2 H 1 7.169 0.010 A 29 TYR HE1 H 1 6.666 0.010 A 29 TYR HE2 H 1 6.666 0.010 A 29 TYR C C 13 176.382 0.100 A 29 TYR CA C 13 62.667 0.100 A 29 TYR CB C 13 38.910 0.100 A 29 TYR CD1 C 13 132.103 0.100 A 29 TYR CD2 C 13 132.103 0.100 A 29 TYR CE1 C 13 118.612 0.100 A 29 TYR CE2 C 13 118.612 0.100 A 29 TYR N N 15 119.594 0.100 A 30 ASN H H 1 8.290 0.010 A 30 ASN HA H 1 4.261 0.010 A 30 ASN HB2 H 1 2.418 0.010 A 30 ASN HB3 H 1 2.418 0.010 A 30 ASN HD21 H 1 6.843 0.010 A 30 ASN HD22 H 1 6.843 0.010 A 30 ASN C C 13 178.521 0.100 A 30 ASN CA C 13 55.924 0.100 A 30 ASN CB C 13 36.463 0.100 A 30 ASN N N 15 116.978 0.100 A 30 ASN ND2 N 15 111.515 0.100 A 31 ILE H H 1 8.006 0.010 A 31 ILE HA H 1 3.357 0.010 A 31 ILE HB H 1 1.450 0.010 A 31 ILE HD1% H 1 0.713 0.010 A 31 ILE HG1x H 1 0.722 0.010 A 31 ILE HG1y H 1 1.904 0.010 A 31 ILE HG2% H 1 -0.212 0.010 A 31 ILE C C 13 178.007 0.100 A 31 ILE CA C 13 66.197 0.100 A 31 ILE CB C 13 37.686 0.100 A 31 ILE CD1 C 13 13.403 0.100 A 31 ILE CG1 C 13 30.434 0.100 A 31 ILE CG2 C 13 16.135 0.100 A 31 ILE N N 15 122.107 0.100 A 32 GLY H H 1 7.880 0.010 A 32 GLY HA2 H 1 3.000 0.010 A 32 GLY HA3 H 1 2.755 0.010 A 32 GLY C C 13 175.187 0.100 A 32 GLY CA C 13 48.520 0.100 A 32 GLY N N 15 107.810 0.100 A 33 LEU H H 1 8.117 0.010 A 33 LEU HA H 1 4.056 0.010 A 33 LEU HB2 H 1 2.105 0.010 A 33 LEU HB3 H 1 1.395 0.010 A 33 LEU HDx% H 1 0.983 0.010 A 33 LEU HDy% H 1 0.874 0.010 A 33 LEU HG H 1 1.535 0.010 A 33 LEU C C 13 180.635 0.100 A 33 LEU CA C 13 58.151 0.100 A 33 LEU CB C 13 41.677 0.100 A 33 LEU CD1 C 13 25.834 0.100 A 33 LEU CD2 C 13 22.012 0.100 A 33 LEU CG C 13 25.859 0.100 A 33 LEU N N 15 120.587 0.100 A 34 GLU H H 1 7.763 0.010 A 34 GLU HA H 1 3.973 0.010 A 34 GLU HB2 H 1 2.076 0.010 A 34 GLU HB3 H 1 2.076 0.010 A 34 GLU HGx H 1 2.249 0.010 A 34 GLU HGy H 1 2.454 0.010 A 34 GLU C C 13 179.479 0.100 A 34 GLU CA C 13 58.862 0.100 A 34 GLU CB C 13 29.151 0.100 A 34 GLU CG C 13 35.864 0.100 A 34 GLU N N 15 120.332 0.100 A 35 LYS H H 1 8.573 0.010 A 35 LYS HA H 1 3.913 0.010 A 35 LYS HBx H 1 1.859 0.010 A 35 LYS HBy H 1 1.926 0.010 A 35 LYS HDy H 1 1.584 0.010 A 35 LYS HDx H 1 1.385 0.010 A 35 LYS HEx H 1 2.492 0.010 A 35 LYS HEy H 1 2.657 0.010 A 35 LYS HGx H 1 1.012 0.010 A 35 LYS HGy H 1 1.444 0.010 A 35 LYS C C 13 179.149 0.100 A 35 LYS CA C 13 57.842 0.100 A 35 LYS CB C 13 30.714 0.100 A 35 LYS CD C 13 28.086 0.100 A 35 LYS CE C 13 42.359 0.100 A 35 LYS CG C 13 25.265 0.100 A 35 LYS N N 15 118.642 0.100 A 36 ASN H H 1 8.348 0.010 A 36 ASN HA H 1 4.308 0.010 A 36 ASN HBx H 1 2.827 0.010 A 36 ASN HBy H 1 2.909 0.010 A 36 ASN HD21 H 1 7.662 0.010 A 36 ASN HD22 H 1 6.727 0.010 A 36 ASN C C 13 179.782 0.100 A 36 ASN CA C 13 55.659 0.100 A 36 ASN CB C 13 38.192 0.100 A 36 ASN N N 15 119.047 0.100 A 36 ASN ND2 N 15 109.009 0.100 A 37 LYS H H 1 7.956 0.010 A 37 LYS HA H 1 4.084 0.010 A 37 LYS HB2 H 1 2.009 0.010 A 37 LYS HB3 H 1 2.009 0.010 A 37 LYS HD2 H 1 1.674 0.010 A 37 LYS HD3 H 1 1.674 0.010 A 37 LYS HE2 H 1 2.922 0.010 A 37 LYS HE3 H 1 2.922 0.010 A 37 LYS HGx H 1 1.516 0.010 A 37 LYS HGy H 1 1.653 0.010 A 37 LYS C C 13 177.938 0.100 A 37 LYS CA C 13 59.290 0.100 A 37 LYS CB C 13 32.209 0.100 A 37 LYS CD C 13 29.199 0.100 A 37 LYS CE C 13 41.789 0.100 A 37 LYS CG C 13 25.112 0.100 A 37 LYS N N 15 121.477 0.100 A 38 MET H H 1 7.394 0.010 A 38 MET HA H 1 4.519 0.010 A 38 MET HB2 H 1 2.098 0.010 A 38 MET HB3 H 1 2.361 0.010 A 38 MET HE% H 1 2.123 0.010 A 38 MET HGy H 1 2.777 0.010 A 38 MET HGx H 1 2.677 0.010 A 38 MET C C 13 175.847 0.100 A 38 MET CA C 13 55.264 0.100 A 38 MET CB C 13 33.388 0.100 A 38 MET CE C 13 16.882 0.100 A 38 MET CG C 13 31.869 0.100 A 38 MET N N 15 114.976 0.100 A 39 GLY H H 1 7.906 0.010 A 39 GLY HAx H 1 3.939 0.010 A 39 GLY HAy H 1 4.225 0.010 A 39 GLY C C 13 174.994 0.100 A 39 GLY CA C 13 45.751 0.100 A 39 GLY N N 15 107.575 0.100 A 40 LYS H H 1 7.958 0.010 A 40 LYS HA H 1 4.736 0.010 A 40 LYS HBx H 1 1.712 0.010 A 40 LYS HBy H 1 1.959 0.010 A 40 LYS HDx H 1 1.574 0.010 A 40 LYS HDy H 1 1.731 0.010 A 40 LYS HEx H 1 2.970 0.010 A 40 LYS HEy H 1 3.072 0.010 A 40 LYS HG2 H 1 1.310 0.010 A 40 LYS HG3 H 1 1.310 0.010 A 40 LYS C C 13 175.847 0.100 A 40 LYS CA C 13 53.380 0.100 A 40 LYS CB C 13 30.422 0.100 A 40 LYS CD C 13 29.187 0.100 A 40 LYS CE C 13 42.297 0.100 A 40 LYS CG C 13 24.095 0.100 A 40 LYS N N 15 122.563 0.100 A 41 ALA H H 1 7.487 0.010 A 41 ALA HA H 1 4.135 0.010 A 41 ALA HB% H 1 1.464 0.010 A 41 ALA C C 13 178.736 0.100 A 41 ALA CA C 13 55.729 0.100 A 41 ALA CB C 13 19.966 0.100 A 41 ALA N N 15 123.662 0.100 A 42 ARG H H 1 8.864 0.010 A 42 ARG HA H 1 4.000 0.010 A 42 ARG HBy H 1 2.090 0.010 A 42 ARG HBx H 1 1.847 0.010 A 42 ARG HDx H 1 3.186 0.010 A 42 ARG HDy H 1 3.281 0.010 A 42 ARG HGy H 1 1.825 0.010 A 42 ARG HGx H 1 1.687 0.010 A 42 ARG C C 13 178.901 0.100 A 42 ARG CA C 13 58.797 0.100 A 42 ARG CB C 13 28.874 0.100 A 42 ARG CD C 13 42.813 0.100 A 42 ARG CG C 13 27.152 0.100 A 42 ARG N N 15 118.612 0.100 A 43 GLU H H 1 8.062 0.010 A 43 GLU HA H 1 4.123 0.010 A 43 GLU HB2 H 1 2.032 0.010 A 43 GLU HB3 H 1 2.032 0.010 A 43 GLU HGx H 1 2.293 0.010 A 43 GLU HGy H 1 2.427 0.010 A 43 GLU C C 13 178.901 0.100 A 43 GLU CA C 13 59.438 0.100 A 43 GLU CB C 13 29.934 0.100 A 43 GLU CG C 13 37.084 0.100 A 43 GLU N N 15 120.194 0.100 A 44 ALA H H 1 8.627 0.010 A 44 ALA HA H 1 3.573 0.010 A 44 ALA HB% H 1 1.277 0.010 A 44 ALA C C 13 177.911 0.100 A 44 ALA CA C 13 55.762 0.100 A 44 ALA CB C 13 18.548 0.100 A 44 ALA N N 15 121.369 0.100 A 45 ALA H H 1 8.310 0.010 A 45 ALA HA H 1 4.085 0.010 A 45 ALA HB% H 1 1.526 0.010 A 45 ALA C C 13 178.078 0.100 A 45 ALA CA C 13 55.576 0.100 A 45 ALA CB C 13 17.440 0.100 A 45 ALA N N 15 117.108 0.100 A 46 GLU H H 1 7.451 0.010 A 46 GLU HA H 1 3.919 0.010 A 46 GLU HB2 H 1 2.072 0.010 A 46 GLU HB3 H 1 2.072 0.010 A 46 GLU HGx H 1 2.062 0.010 A 46 GLU HGy H 1 2.242 0.010 A 46 GLU C C 13 179.341 0.100 A 46 GLU CA C 13 59.757 0.100 A 46 GLU CB C 13 29.137 0.100 A 46 GLU CG C 13 35.710 0.100 A 46 GLU N N 15 115.941 0.100 A 47 TYR H H 1 7.746 0.010 A 47 TYR HA H 1 3.845 0.010 A 47 TYR HB2 H 1 2.461 0.010 A 47 TYR HB3 H 1 3.091 0.010 A 47 TYR HD1 H 1 7.175 0.010 A 47 TYR HD2 H 1 7.175 0.010 A 47 TYR HE1 H 1 6.682 0.010 A 47 TYR HE2 H 1 6.682 0.010 A 47 TYR C C 13 178.544 0.100 A 47 TYR CA C 13 64.664 0.100 A 47 TYR CB C 13 37.314 0.100 A 47 TYR CD1 C 13 132.385 0.100 A 47 TYR CD2 C 13 132.385 0.100 A 47 TYR CE1 C 13 118.313 0.100 A 47 TYR CE2 C 13 118.313 0.100 A 47 TYR N N 15 117.925 0.100 A 48 PHE H H 1 9.054 0.010 A 48 PHE HA H 1 4.748 0.010 A 48 PHE HB2 H 1 3.175 0.010 A 48 PHE HB3 H 1 3.590 0.010 A 48 PHE HD1 H 1 6.935 0.010 A 48 PHE HD2 H 1 6.935 0.010 A 48 PHE HE1 H 1 6.908 0.010 A 48 PHE HE2 H 1 6.908 0.010 A 48 PHE HZ H 1 6.863 0.010 A 48 PHE C C 13 178.227 0.100 A 48 PHE CA C 13 59.553 0.100 A 48 PHE CB C 13 38.149 0.100 A 48 PHE CD1 C 13 130.038 0.100 A 48 PHE CD2 C 13 130.038 0.100 A 48 PHE CE1 C 13 131.670 0.100 A 48 PHE CE2 C 13 131.670 0.100 A 48 PHE CZ C 13 129.095 0.100 A 48 PHE N N 15 118.758 0.100 A 49 PHE H H 1 8.981 0.010 A 49 PHE HA H 1 4.498 0.010 A 49 PHE HB2 H 1 3.444 0.010 A 49 PHE HB3 H 1 3.295 0.010 A 49 PHE HD1 H 1 7.171 0.010 A 49 PHE HD2 H 1 7.171 0.010 A 49 PHE HE1 H 1 7.265 0.010 A 49 PHE HE2 H 1 7.265 0.010 A 49 PHE HZ H 1 7.310 0.010 A 49 PHE C C 13 176.645 0.100 A 49 PHE CA C 13 61.221 0.100 A 49 PHE CB C 13 40.289 0.100 A 49 PHE CD1 C 13 131.344 0.100 A 49 PHE CD2 C 13 131.344 0.100 A 49 PHE CE1 C 13 131.728 0.100 A 49 PHE CE2 C 13 131.728 0.100 A 49 PHE CZ C 13 129.289 0.100 A 49 PHE N N 15 120.234 0.100 A 50 ARG H H 1 8.450 0.010 A 50 ARG HA H 1 3.780 0.010 A 50 ARG HB2 H 1 1.767 0.010 A 50 ARG HB3 H 1 1.947 0.010 A 50 ARG HDy H 1 2.846 0.010 A 50 ARG HDx H 1 2.706 0.010 A 50 ARG HGx H 1 1.611 0.010 A 50 ARG HGy H 1 2.056 0.010 A 50 ARG C C 13 179.369 0.100 A 50 ARG CA C 13 59.829 0.100 A 50 ARG CB C 13 30.523 0.100 A 50 ARG CD C 13 43.682 0.100 A 50 ARG CG C 13 27.653 0.100 A 50 ARG N N 15 117.925 0.100 A 51 ALA H H 1 8.697 0.010 A 51 ALA HA H 1 3.716 0.010 A 51 ALA HB% H 1 1.693 0.010 A 51 ALA C C 13 177.085 0.100 A 51 ALA CA C 13 55.098 0.100 A 51 ALA CB C 13 17.266 0.100 A 51 ALA N N 15 120.897 0.100 A 52 ALA H H 1 8.483 0.010 A 52 ALA HA H 1 4.069 0.010 A 52 ALA HB% H 1 1.755 0.010 A 52 ALA C C 13 178.067 0.100 A 52 ALA CA C 13 56.108 0.100 A 52 ALA CB C 13 17.253 0.100 A 52 ALA N N 15 120.007 0.100 A 53 ILE H H 1 8.033 0.010 A 53 ILE HA H 1 3.183 0.010 A 53 ILE HB H 1 1.736 0.010 A 53 ILE HD1% H 1 0.601 0.010 A 53 ILE HG12 H 1 0.763 0.010 A 53 ILE HG13 H 1 1.361 0.010 A 53 ILE HG2% H 1 0.723 0.010 A 53 ILE C C 13 178.323 0.100 A 53 ILE CA C 13 65.765 0.100 A 53 ILE CB C 13 38.476 0.100 A 53 ILE CD1 C 13 14.124 0.100 A 53 ILE CG1 C 13 29.420 0.100 A 53 ILE CG2 C 13 16.779 0.100 A 53 ILE N N 15 116.864 0.100 A 54 VAL H H 1 7.126 0.010 A 54 VAL HA H 1 3.491 0.010 A 54 VAL HB H 1 1.790 0.010 A 54 VAL HGx% H 1 0.801 0.010 A 54 VAL HGy% H 1 0.916 0.010 A 54 VAL C C 13 178.200 0.100 A 54 VAL CA C 13 66.376 0.100 A 54 VAL CB C 13 31.408 0.100 A 54 VAL CG1 C 13 22.234 0.100 A 54 VAL CG2 C 13 22.844 0.100 A 54 VAL N N 15 119.604 0.100 A 55 PHE H H 1 9.061 0.010 A 55 PHE HA H 1 4.536 0.010 A 55 PHE HB2 H 1 2.827 0.010 A 55 PHE HB3 H 1 3.729 0.010 A 55 PHE HD1 H 1 7.008 0.010 A 55 PHE HD2 H 1 7.008 0.010 A 55 PHE HE1 H 1 7.121 0.010 A 55 PHE HE2 H 1 7.121 0.010 A 55 PHE HZ H 1 6.846 0.010 A 55 PHE C C 13 178.571 0.100 A 55 PHE CA C 13 59.487 0.100 A 55 PHE CB C 13 38.157 0.100 A 55 PHE CD1 C 13 130.943 0.100 A 55 PHE CD2 C 13 130.943 0.100 A 55 PHE CE1 C 13 130.796 0.100 A 55 PHE CE2 C 13 130.796 0.100 A 55 PHE CZ C 13 128.745 0.100 A 55 PHE N N 15 118.386 0.100 A 56 TYR H H 1 8.975 0.010 A 56 TYR HA H 1 4.351 0.010 A 56 TYR HB2 H 1 3.021 0.010 A 56 TYR HB3 H 1 2.663 0.010 A 56 TYR HD1 H 1 6.419 0.010 A 56 TYR HD2 H 1 6.419 0.010 A 56 TYR HE1 H 1 6.469 0.010 A 56 TYR HE2 H 1 6.469 0.010 A 56 TYR C C 13 178.871 0.100 A 56 TYR CA C 13 59.494 0.100 A 56 TYR CB C 13 37.803 0.100 A 56 TYR CD1 C 13 131.669 0.100 A 56 TYR CD2 C 13 131.669 0.100 A 56 TYR CE1 C 13 117.696 0.100 A 56 TYR CE2 C 13 117.696 0.100 A 56 TYR N N 15 119.488 0.100 A 57 LYS H H 1 7.753 0.010 A 57 LYS HA H 1 3.463 0.010 A 57 LYS HB2 H 1 1.844 0.010 A 57 LYS HB3 H 1 1.844 0.010 A 57 LYS HD2 H 1 1.538 0.010 A 57 LYS HD3 H 1 1.538 0.010 A 57 LYS HE2 H 1 2.863 0.010 A 57 LYS HE3 H 1 2.863 0.010 A 57 LYS HGx H 1 1.288 0.010 A 57 LYS HGy H 1 1.409 0.010 A 57 LYS C C 13 178.103 0.100 A 57 LYS CA C 13 58.845 0.100 A 57 LYS CB C 13 31.725 0.100 A 57 LYS CD C 13 29.122 0.100 A 57 LYS CE C 13 41.815 0.100 A 57 LYS CG C 13 24.744 0.100 A 57 LYS N N 15 121.083 0.100 A 58 GLU H H 1 7.849 0.010 A 58 GLU HA H 1 4.157 0.010 A 58 GLU HBy H 1 2.403 0.010 A 58 GLU HBx H 1 1.911 0.010 A 58 GLU HGx H 1 2.180 0.010 A 58 GLU HGy H 1 2.413 0.010 A 58 GLU C C 13 175.655 0.100 A 58 GLU CA C 13 55.134 0.100 A 58 GLU CB C 13 29.640 0.100 A 58 GLU CG C 13 36.015 0.100 A 58 GLU N N 15 114.098 0.100 A 59 HIS H H 1 7.659 0.010 A 59 HIS HA H 1 4.210 0.010 A 59 HIS HB2 H 1 3.454 0.010 A 59 HIS HB3 H 1 3.454 0.010 A 59 HIS HD2 H 1 7.098 0.010 A 59 HIS HE1 H 1 8.272 0.010 A 59 HIS C C 13 173.784 0.100 A 59 HIS CA C 13 56.411 0.100 A 59 HIS CB C 13 25.838 0.100 A 59 HIS CD2 C 13 119.893 0.100 A 59 HIS CE1 C 13 136.159 0.100 A 59 HIS N N 15 115.781 0.100 A 60 ASP H H 1 8.660 0.010 A 60 ASP HA H 1 4.859 0.010 A 60 ASP HB2 H 1 3.045 0.010 A 60 ASP HB3 H 1 2.557 0.010 A 60 ASP C C 13 175.847 0.100 A 60 ASP CA C 13 51.803 0.100 A 60 ASP CB C 13 40.131 0.100 A 60 ASP N N 15 118.780 0.100 A 61 THR H H 1 7.955 0.010 A 61 THR HA H 1 3.763 0.010 A 61 THR HB H 1 4.071 0.010 A 61 THR HG2% H 1 1.240 0.010 A 61 THR C C 13 175.886 0.100 A 61 THR CA C 13 66.159 0.100 A 61 THR CB C 13 68.168 0.100 A 61 THR CG2 C 13 22.749 0.100 A 61 THR N N 15 118.884 0.100 A 62 ASP H H 1 8.298 0.010 A 62 ASP HA H 1 4.262 0.010 A 62 ASP HBx H 1 2.460 0.010 A 62 ASP HBy H 1 2.604 0.010 A 62 ASP C C 13 178.461 0.100 A 62 ASP CA C 13 57.449 0.100 A 62 ASP CB C 13 40.935 0.100 A 62 ASP N N 15 121.668 0.100 A 63 GLY H H 1 8.018 0.010 A 63 GLY HA2 H 1 2.728 0.010 A 63 GLY HA3 H 1 1.447 0.010 A 63 GLY C C 13 175.517 0.100 A 63 GLY CA C 13 46.059 0.100 A 63 GLY N N 15 109.003 0.100 A 64 LEU H H 1 8.073 0.010 A 64 LEU HA H 1 4.082 0.010 A 64 LEU HB2 H 1 1.528 0.010 A 64 LEU HB3 H 1 2.007 0.010 A 64 LEU HDx% H 1 1.344 0.010 A 64 LEU HDy% H 1 1.059 0.010 A 64 LEU HG H 1 1.697 0.010 A 64 LEU C C 13 177.333 0.100 A 64 LEU CA C 13 58.493 0.100 A 64 LEU CB C 13 42.107 0.100 A 64 LEU CD1 C 13 23.504 0.100 A 64 LEU CD2 C 13 26.247 0.100 A 64 LEU CG C 13 27.612 0.100 A 64 LEU N N 15 122.504 0.100 A 65 ARG H H 1 8.491 0.010 A 65 ARG HA H 1 3.892 0.010 A 65 ARG HB2 H 1 1.930 0.010 A 65 ARG HB3 H 1 1.930 0.010 A 65 ARG HDx H 1 3.196 0.010 A 65 ARG HDy H 1 3.241 0.010 A 65 ARG HGy H 1 1.731 0.010 A 65 ARG HGx H 1 1.565 0.010 A 65 ARG C C 13 179.045 0.100 A 65 ARG CA C 13 59.855 0.100 A 65 ARG CB C 13 29.935 0.100 A 65 ARG CD C 13 43.115 0.100 A 65 ARG CG C 13 28.099 0.100 A 65 ARG N N 15 118.626 0.100 A 66 ARG H H 1 7.601 0.010 A 66 ARG HA H 1 3.967 0.010 A 66 ARG HB2 H 1 1.580 0.010 A 66 ARG HB3 H 1 1.580 0.010 A 66 ARG HDx H 1 2.747 0.010 A 66 ARG HDy H 1 2.958 0.010 A 66 ARG HGy H 1 1.580 0.010 A 66 ARG HGx H 1 1.437 0.010 A 66 ARG C C 13 178.943 0.100 A 66 ARG CA C 13 59.213 0.100 A 66 ARG CB C 13 29.551 0.100 A 66 ARG CD C 13 43.289 0.100 A 66 ARG CG C 13 27.699 0.100 A 66 ARG N N 15 119.009 0.100 A 67 ALA H H 1 8.681 0.010 A 67 ALA HA H 1 4.177 0.010 A 67 ALA HB% H 1 1.892 0.010 A 67 ALA C C 13 178.654 0.100 A 67 ALA CA C 13 56.094 0.100 A 67 ALA CB C 13 17.879 0.100 A 67 ALA N N 15 122.174 0.100 A 68 ALA H H 1 9.060 0.010 A 68 ALA HA H 1 3.951 0.010 A 68 ALA HB% H 1 1.467 0.010 A 68 ALA C C 13 179.562 0.100 A 68 ALA CA C 13 55.565 0.100 A 68 ALA CB C 13 17.841 0.100 A 68 ALA N N 15 119.208 0.100 A 69 LYS H H 1 7.997 0.010 A 69 LYS HA H 1 3.990 0.010 A 69 LYS HB2 H 1 1.952 0.010 A 69 LYS HB3 H 1 1.952 0.010 A 69 LYS HD2 H 1 1.647 0.010 A 69 LYS HD3 H 1 1.647 0.010 A 69 LYS HE2 H 1 2.909 0.010 A 69 LYS HE3 H 1 2.909 0.010 A 69 LYS HG2 H 1 1.337 0.010 A 69 LYS HG3 H 1 1.337 0.010 A 69 LYS C C 13 178.929 0.100 A 69 LYS CA C 13 59.535 0.100 A 69 LYS CB C 13 32.110 0.100 A 69 LYS CD C 13 29.267 0.100 A 69 LYS CE C 13 41.820 0.100 A 69 LYS CG C 13 24.631 0.100 A 69 LYS N N 15 119.434 0.100 A 70 SER H H 1 8.105 0.010 A 70 SER HA H 1 3.908 0.010 A 70 SER HBy H 1 2.927 0.010 A 70 SER HBx H 1 2.235 0.010 A 70 SER C C 13 175.957 0.100 A 70 SER CA C 13 62.776 0.100 A 70 SER CB C 13 60.389 0.100 A 70 SER N N 15 116.406 0.100 A 71 LEU H H 1 8.315 0.010 A 71 LEU HA H 1 4.081 0.010 A 71 LEU HB2 H 1 1.970 0.010 A 71 LEU HB3 H 1 1.807 0.010 A 71 LEU HDx% H 1 1.092 0.010 A 71 LEU HDy% H 1 1.104 0.010 A 71 LEU HG H 1 1.750 0.010 A 71 LEU C C 13 176.893 0.100 A 71 LEU CA C 13 58.977 0.100 A 71 LEU CB C 13 42.444 0.100 A 71 LEU CD1 C 13 24.465 0.100 A 71 LEU CD2 C 13 26.086 0.100 A 71 LEU CG C 13 28.219 0.100 A 71 LEU N N 15 123.712 0.100 A 72 LYS H H 1 7.785 0.010 A 72 LYS HA H 1 3.862 0.010 A 72 LYS HB2 H 1 1.966 0.010 A 72 LYS HB3 H 1 1.966 0.010 A 72 LYS HD2 H 1 1.656 0.010 A 72 LYS HD3 H 1 1.656 0.010 A 72 LYS HE2 H 1 2.912 0.010 A 72 LYS HE3 H 1 2.912 0.010 A 72 LYS HGx H 1 1.413 0.010 A 72 LYS HGy H 1 1.562 0.010 A 72 LYS C C 13 179.617 0.100 A 72 LYS CA C 13 59.540 0.100 A 72 LYS CB C 13 31.990 0.100 A 72 LYS CD C 13 29.205 0.100 A 72 LYS CE C 13 41.738 0.100 A 72 LYS CG C 13 25.362 0.100 A 72 LYS N N 15 117.431 0.100 A 73 GLU H H 1 7.920 0.010 A 73 GLU HA H 1 4.019 0.010 A 73 GLU HB2 H 1 2.023 0.010 A 73 GLU HB3 H 1 2.023 0.010 A 73 GLU HGx H 1 2.245 0.010 A 73 GLU HGy H 1 2.473 0.010 A 73 GLU C C 13 178.475 0.100 A 73 GLU CA C 13 58.645 0.100 A 73 GLU CB C 13 29.409 0.100 A 73 GLU CG C 13 36.486 0.100 A 73 GLU N N 15 117.402 0.100 A 74 ALA H H 1 8.010 0.010 A 74 ALA HA H 1 4.319 0.010 A 74 ALA HB% H 1 1.679 0.010 A 74 ALA C C 13 178.839 0.100 A 74 ALA CA C 13 54.378 0.100 A 74 ALA CB C 13 17.530 0.100 A 74 ALA N N 15 122.211 0.100 A 75 ILE H H 1 7.405 0.010 A 75 ILE HA H 1 3.415 0.010 A 75 ILE HB H 1 1.878 0.010 A 75 ILE HD1% H 1 0.876 0.010 A 75 ILE HG1y H 1 2.003 0.010 A 75 ILE HG1x H 1 0.912 0.010 A 75 ILE HG2% H 1 0.884 0.010 A 75 ILE C C 13 177.333 0.100 A 75 ILE CA C 13 65.814 0.100 A 75 ILE CB C 13 38.197 0.100 A 75 ILE CD1 C 13 14.607 0.100 A 75 ILE CG1 C 13 29.084 0.100 A 75 ILE CG2 C 13 17.800 0.100 A 75 ILE N N 15 113.486 0.100 A 76 THR H H 1 7.217 0.010 A 76 THR HA H 1 3.963 0.010 A 76 THR HB H 1 4.303 0.010 A 76 THR HG2% H 1 1.291 0.010 A 76 THR C C 13 174.609 0.100 A 76 THR CA C 13 63.773 0.100 A 76 THR CB C 13 68.757 0.100 A 76 THR CG2 C 13 21.845 0.100 A 76 THR N N 15 105.977 0.100 A 77 ALA H H 1 7.486 0.010 A 77 ALA HA H 1 4.417 0.010 A 77 ALA HB% H 1 1.481 0.010 A 77 ALA C C 13 177.085 0.100 A 77 ALA CA C 13 51.628 0.100 A 77 ALA CB C 13 19.781 0.100 A 77 ALA N N 15 122.534 0.100 A 78 ILE H H 1 7.428 0.010 A 78 ILE HA H 1 4.212 0.010 A 78 ILE HB H 1 1.831 0.010 A 78 ILE HD1% H 1 0.720 0.010 A 78 ILE HG1y H 1 2.092 0.010 A 78 ILE HG1x H 1 0.627 0.010 A 78 ILE HG2% H 1 0.995 0.010 A 78 ILE C C 13 174.939 0.100 A 78 ILE CA C 13 59.798 0.100 A 78 ILE CB C 13 39.616 0.100 A 78 ILE CD1 C 13 15.478 0.100 A 78 ILE CG1 C 13 28.064 0.100 A 78 ILE CG2 C 13 17.033 0.100 A 78 ILE N N 15 123.223 0.100 A 79 PRO HA H 1 4.438 0.010 A 79 PRO HBy H 1 2.378 0.010 A 79 PRO HBx H 1 1.951 0.010 A 79 PRO HDx H 1 3.873 0.010 A 79 PRO HDy H 1 4.253 0.010 A 79 PRO HGy H 1 2.149 0.010 A 79 PRO HGx H 1 2.072 0.010 A 79 PRO CA C 13 64.085 0.100 A 79 PRO CB C 13 32.309 0.100 A 79 PRO CD C 13 51.282 0.100 A 79 PRO CG C 13 27.473 0.100 A 83 GLY H H 1 7.613 0.010 A 83 GLY HA2 H 1 3.996 0.010 A 83 GLY HA3 H 1 3.996 0.010 A 83 GLY C C 13 175.765 0.100 A 83 GLY CA C 13 46.491 0.100 A 83 GLY N N 15 105.726 0.100 A 84 ARG HA H 1 3.884 0.010 A 84 ARG HBx H 1 1.722 0.010 A 84 ARG HBy H 1 1.977 0.010 A 84 ARG HDx H 1 3.133 0.010 A 84 ARG HDy H 1 3.320 0.010 A 84 ARG HG2 H 1 1.870 0.010 A 84 ARG HG3 H 1 1.870 0.010 A 84 ARG CA C 13 60.321 0.100 A 84 ARG CB C 13 30.827 0.100 A 84 ARG CD C 13 43.705 0.100 A 84 ARG CG C 13 28.198 0.100 A 86 GLU H H 1 7.965 0.010 A 86 GLU HA H 1 3.984 0.010 A 86 GLU HBy H 1 2.142 0.010 A 86 GLU HBx H 1 1.942 0.010 A 86 GLU HGy H 1 2.448 0.010 A 86 GLU HGx H 1 2.142 0.010 A 86 GLU C C 13 179.163 0.100 A 86 GLU CA C 13 59.196 0.100 A 86 GLU CB C 13 28.928 0.100 A 86 GLU CG C 13 36.148 0.100 A 87 ALA H H 1 8.108 0.010 A 87 ALA HA H 1 4.199 0.010 A 87 ALA HB% H 1 1.333 0.010 A 87 ALA C C 13 178.980 0.100 A 87 ALA CA C 13 54.669 0.100 A 87 ALA CB C 13 18.413 0.100 A 87 ALA N N 15 122.092 0.100 A 88 LYS H H 1 8.501 0.010 A 88 LYS HA H 1 3.893 0.010 A 88 LYS HBx H 1 1.897 0.010 A 88 LYS HBy H 1 1.954 0.010 A 88 LYS HD2 H 1 1.646 0.010 A 88 LYS HD3 H 1 1.646 0.010 A 88 LYS HEx H 1 2.829 0.010 A 88 LYS HEy H 1 2.914 0.010 A 88 LYS HGx H 1 1.439 0.010 A 88 LYS HGy H 1 1.650 0.010 A 88 LYS C C 13 179.341 0.100 A 88 LYS CA C 13 60.003 0.100 A 88 LYS CB C 13 32.226 0.100 A 88 LYS CD C 13 29.576 0.100 A 88 LYS CE C 13 41.745 0.100 A 88 LYS CG C 13 26.146 0.100 A 88 LYS N N 15 118.808 0.100 A 89 GLU H H 1 7.544 0.010 A 89 GLU HA H 1 3.995 0.010 A 89 GLU HBx H 1 1.968 0.010 A 89 GLU HBy H 1 2.076 0.010 A 89 GLU HGx H 1 2.258 0.010 A 89 GLU HGy H 1 2.311 0.010 A 89 GLU C C 13 179.017 0.100 A 89 GLU CA C 13 58.943 0.100 A 89 GLU CB C 13 28.832 0.100 A 89 GLU CG C 13 35.729 0.100 A 89 GLU N N 15 119.454 0.100 A 90 MET H H 1 7.600 0.010 A 90 MET HA H 1 3.284 0.010 A 90 MET HB2 H 1 2.062 0.010 A 90 MET HB3 H 1 1.398 0.010 A 90 MET HE% H 1 1.829 0.010 A 90 MET HG2 H 1 0.936 0.010 A 90 MET HG3 H 1 2.261 0.010 A 90 MET C C 13 177.003 0.100 A 90 MET CA C 13 59.168 0.100 A 90 MET CB C 13 33.468 0.100 A 90 MET CE C 13 17.082 0.100 A 90 MET CG C 13 32.023 0.100 A 90 MET N N 15 119.262 0.100 A 91 ALA H H 1 8.212 0.010 A 91 ALA HA H 1 3.868 0.010 A 91 ALA HB% H 1 1.389 0.010 A 91 ALA C C 13 179.039 0.100 A 91 ALA CA C 13 55.030 0.100 A 91 ALA CB C 13 18.084 0.100 A 91 ALA N N 15 120.041 0.100 A 92 LYS H H 1 7.819 0.010 A 92 LYS HA H 1 3.922 0.010 A 92 LYS HB2 H 1 1.823 0.010 A 92 LYS HB3 H 1 1.823 0.010 A 92 LYS HE2 H 1 2.904 0.010 A 92 LYS HE3 H 1 2.904 0.010 A 92 LYS HGx H 1 1.290 0.010 A 92 LYS HGy H 1 1.450 0.010 A 92 LYS C C 13 178.874 0.100 A 92 LYS CA C 13 59.121 0.100 A 92 LYS CB C 13 32.243 0.100 A 92 LYS CD C 13 29.118 0.100 A 92 LYS CE C 13 41.831 0.100 A 92 LYS CG C 13 24.609 0.100 A 92 LYS N N 15 118.442 0.100 A 93 LYS H H 1 7.449 0.010 A 93 LYS HA H 1 3.577 0.010 A 93 LYS HB2 H 1 1.598 0.010 A 93 LYS HB3 H 1 1.031 0.010 A 93 LYS HDx H 1 1.524 0.010 A 93 LYS HDy H 1 1.632 0.010 A 93 LYS HE2 H 1 2.903 0.010 A 93 LYS HE3 H 1 2.903 0.010 A 93 LYS HGx H 1 1.048 0.010 A 93 LYS HGy H 1 1.205 0.010 A 93 LYS C C 13 176.618 0.100 A 93 LYS CA C 13 58.126 0.100 A 93 LYS CB C 13 31.145 0.100 A 93 LYS CD C 13 28.469 0.100 A 93 LYS CE C 13 41.815 0.100 A 93 LYS CG C 13 24.436 0.100 A 93 LYS N N 15 119.228 0.100 A 94 ALA H H 1 7.698 0.010 A 94 ALA HA H 1 3.781 0.010 A 94 ALA HB% H 1 1.338 0.010 A 94 ALA C C 13 178.736 0.100 A 94 ALA CA C 13 54.878 0.100 A 94 ALA CB C 13 17.243 0.100 A 94 ALA N N 15 117.825 0.100 A 95 GLU H H 1 7.907 0.010 A 95 GLU HA H 1 3.909 0.010 A 95 GLU HB2 H 1 2.024 0.010 A 95 GLU HB3 H 1 2.024 0.010 A 95 GLU HGy H 1 2.386 0.010 A 95 GLU HGx H 1 2.171 0.010 A 95 GLU C C 13 178.984 0.100 A 95 GLU CA C 13 59.380 0.100 A 95 GLU CB C 13 29.476 0.100 A 95 GLU CG C 13 36.472 0.100 A 95 GLU N N 15 115.361 0.100 A 96 GLU H H 1 7.815 0.010 A 96 GLU HA H 1 3.949 0.010 A 96 GLU HBx H 1 1.948 0.010 A 96 GLU HBy H 1 2.078 0.010 A 96 GLU HGy H 1 2.437 0.010 A 96 GLU HGx H 1 2.148 0.010 A 96 GLU C C 13 180.249 0.100 A 96 GLU CA C 13 59.197 0.100 A 96 GLU CB C 13 28.880 0.100 A 96 GLU CG C 13 36.351 0.100 A 96 GLU N N 15 121.608 0.100 A 97 TRP H H 1 8.069 0.010 A 97 TRP HA H 1 4.398 0.010 A 97 TRP HB2 H 1 3.198 0.010 A 97 TRP HB3 H 1 2.278 0.010 A 97 TRP HD1 H 1 6.675 0.010 A 97 TRP HE1 H 1 9.730 0.010 A 97 TRP HE3 H 1 7.026 0.010 A 97 TRP HH2 H 1 6.864 0.010 A 97 TRP HZ2 H 1 7.358 0.010 A 97 TRP HZ3 H 1 6.448 0.010 A 97 TRP C C 13 178.007 0.100 A 97 TRP CA C 13 57.736 0.100 A 97 TRP CB C 13 27.978 0.100 A 97 TRP CD1 C 13 123.661 0.100 A 97 TRP CE3 C 13 119.302 0.100 A 97 TRP CH2 C 13 124.612 0.100 A 97 TRP CZ2 C 13 113.127 0.100 A 97 TRP CZ3 C 13 119.735 0.100 A 97 TRP N N 15 122.511 0.100 A 97 TRP NE1 N 15 126.697 0.100 A 98 LEU H H 1 8.077 0.010 A 98 LEU HA H 1 4.083 0.010 A 98 LEU HBy H 1 1.906 0.010 A 98 LEU HBx H 1 1.600 0.010 A 98 LEU HDx% H 1 0.886 0.010 A 98 LEU HDy% H 1 0.924 0.010 A 98 LEU HG H 1 1.629 0.010 A 98 LEU C C 13 178.599 0.100 A 98 LEU CA C 13 57.654 0.100 A 98 LEU CB C 13 41.965 0.100 A 98 LEU CD1 C 13 24.079 0.100 A 98 LEU CD2 C 13 25.638 0.100 A 98 LEU CG C 13 26.824 0.100 A 98 LEU N N 15 119.235 0.100 A 99 GLN H H 1 8.077 0.010 A 99 GLN HA H 1 4.116 0.010 A 99 GLN HB2 H 1 2.183 0.010 A 99 GLN HB3 H 1 2.183 0.010 A 99 GLN HE2y H 1 7.538 0.010 A 99 GLN HE2x H 1 6.819 0.010 A 99 GLN HGx H 1 2.480 0.010 A 99 GLN HGy H 1 2.523 0.010 A 99 GLN C C 13 177.636 0.100 A 99 GLN CA C 13 57.720 0.100 A 99 GLN CB C 13 28.246 0.100 A 99 GLN CG C 13 33.744 0.100 A 99 GLN N N 15 117.609 0.100 A 99 GLN NE2 N 15 111.874 0.100 A 100 ALA H H 1 7.944 0.010 A 100 ALA HA H 1 4.305 0.010 A 100 ALA HB% H 1 1.724 0.010 A 100 ALA C C 13 179.424 0.100 A 100 ALA CA C 13 54.053 0.100 A 100 ALA CB C 13 18.553 0.100 A 100 ALA N N 15 122.106 0.100 A 101 GLU H H 1 8.162 0.010 A 101 GLU HA H 1 4.356 0.010 A 101 GLU HBy H 1 2.229 0.010 A 101 GLU HBx H 1 2.145 0.010 A 101 GLU HGx H 1 2.352 0.010 A 101 GLU HGy H 1 2.563 0.010 A 101 GLU C C 13 177.415 0.100 A 101 GLU CA C 13 57.013 0.100 A 101 GLU CB C 13 30.399 0.100 A 101 GLU CG C 13 36.458 0.100 A 101 GLU N N 15 117.817 0.100 A 102 GLN H H 1 8.094 0.010 A 102 GLN HA H 1 4.334 0.010 A 102 GLN HBy H 1 2.147 0.010 A 102 GLN HBx H 1 2.086 0.010 A 102 GLN HE21 H 1 7.402 0.010 A 102 GLN HE22 H 1 6.841 0.010 A 102 GLN HGx H 1 2.397 0.010 A 102 GLN HGy H 1 2.459 0.010 A 102 GLN C C 13 175.755 0.100 A 102 GLN CA C 13 56.327 0.100 A 102 GLN CB C 13 29.294 0.100 A 102 GLN CG C 13 33.999 0.100 A 102 GLN N N 15 118.194 0.100 A 102 GLN NE2 N 15 111.439 0.100 A 103 ASN H H 1 8.149 0.010 A 103 ASN HA H 1 4.790 0.010 A 103 ASN HBx H 1 2.760 0.010 A 103 ASN HBy H 1 2.912 0.010 A 103 ASN HD21 H 1 7.630 0.010 A 103 ASN HD22 H 1 6.924 0.010 A 103 ASN C C 13 173.949 0.100 A 103 ASN CA C 13 53.029 0.100 A 103 ASN CB C 13 39.050 0.100 A 103 ASN N N 15 119.032 0.100 A 103 ASN ND2 N 15 112.936 0.100 A 104 ASN H H 1 7.912 0.010 A 104 ASN HA H 1 4.500 0.010 A 104 ASN HBx H 1 2.709 0.010 A 104 ASN HBy H 1 2.781 0.010 A 104 ASN HD2y H 1 7.508 0.010 A 104 ASN HD2x H 1 6.799 0.010 A 104 ASN C C 13 179.479 0.100 A 104 ASN CA C 13 54.774 0.100 A 104 ASN CB C 13 40.226 0.100 A 104 ASN N N 15 124.359 0.100 A 104 ASN ND2 N 15 112.491 0.100 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 69 LYS H A 98 LEU HDx% 1.0 0.0 5.90 2 2 A 12 TYR HB2 A 13 LYS H 1.0 0.0 5.72 3 3 A 13 LYS H A 12 TYR HB3 1.0 0.0 5.41 4 4 A 24 MET H A 25 GLY H 1.0 0.0 4.64 5 5 A 15 ALA HB% A 16 GLU H 1.0 0.0 4.56 6 6 A 16 GLU H A 17 GLU H 1.0 0.0 4.58 7 7 A 16 GLU H A 17 GLU HA 1.0 0.0 5.08 8 8 A 16 GLU H A 16 GLU HB2 1.0 0.0 4.18 9 8 A 16 GLU H A 16 GLU HB3 1.0 0.0 4.18 10 9 A 17 GLU H A 17 GLU HB2 1.0 0.0 4.03 11 9 A 17 GLU H A 17 GLU HB3 1.0 0.0 4.03 12 10 A 17 GLU H A 17 GLU HGy 1.0 0.0 5.13 13 11 A 20 GLN H A 20 GLN HB2 1.0 0.0 4.21 14 11 A 20 GLN H A 20 GLN HB3 1.0 0.0 4.21 15 12 A 20 GLN H A 20 GLN HGx 1.0 0.0 5.79 16 13 A 20 GLN H A 20 GLN HGy 1.0 0.0 5.79 17 14 A 20 GLN H A 18 LEU HB2 1.0 0.0 5.26 18 14 A 20 GLN H A 18 LEU HB3 1.0 0.0 5.26 19 15 A 20 GLN HE22 A 23 LEU HDx% 1.0 0.0 6.30 20 16 A 18 LEU HDy% A 20 GLN HE21 1.0 0.0 6.30 21 17 A 20 GLN HE21 A 20 GLN HB2 1.0 0.0 5.88 22 17 A 20 GLN HB3 A 20 GLN HE21 1.0 0.0 5.88 23 18 A 21 GLY H A 20 GLN HB2 1.0 0.0 5.59 24 18 A 20 GLN HB3 A 21 GLY H 1.0 0.0 5.59 25 19 A 26 ARG H A 26 ARG HB2 1.0 0.0 4.13 26 19 A 26 ARG H A 26 ARG HB3 1.0 0.0 4.13 27 20 A 25 GLY H A 27 ALA H 1.0 0.0 6.09 28 21 A 26 ARG H A 27 ALA H 1.0 0.0 4.49 29 22 A 96 GLU H A 95 GLU HB2 1.0 0.0 3.33 30 22 A 95 GLU HB3 A 96 GLU H 1.0 0.0 3.33 31 23 A 96 GLU H A 96 GLU HGy 1.0 0.0 4.60 32 24 A 27 ALA H A 27 ALA HB% 1.0 0.0 3.81 33 25 A 96 GLU H A 94 ALA HB% 1.0 0.0 5.29 34 26 A 96 GLU H A 93 LYS HA 1.0 0.0 4.51 35 27 A 27 ALA H A 25 GLY HA2 1.0 0.0 5.68 36 28 A 96 GLU H A 97 TRP HB2 1.0 0.0 6.30 37 29 A 96 GLU H A 93 LYS HB3 1.0 0.0 6.15 38 30 A 96 GLU H A 98 LEU HDy% 1.0 0.0 6.30 39 31 A 28 LEU H A 28 LEU HDy% 1.0 0.0 5.41 40 32 A 27 ALA HB% A 28 LEU H 1.0 0.0 4.00 41 33 A 28 LEU H A 28 LEU HBy 1.0 0.0 4.16 42 34 A 28 LEU H A 28 LEU HG 1.0 0.0 4.22 43 35 A 29 TYR H A 30 ASN H 1.0 0.0 4.27 44 36 A 28 LEU H A 29 TYR H 1.0 0.0 4.14 45 37 A 27 ALA H A 29 TYR H 1.0 0.0 5.74 46 38 A 29 TYR H A 48 PHE HD% 1.0 0.0 5.76 47 39 A 29 TYR H A 26 ARG HA 1.0 0.0 4.57 48 40 A 29 TYR H A 51 ALA HA 1.0 0.0 5.76 49 41 A 29 TYR H A 29 TYR HB3 1.0 0.0 3.90 50 42 A 29 TYR H A 29 TYR HB2 1.0 0.0 3.80 51 43 A 29 TYR H A 25 GLY HA3 1.0 0.0 5.97 52 44 A 29 TYR H A 28 LEU HDx% 1.0 0.0 5.59 53 45 A 28 LEU HDy% A 29 TYR H 1.0 0.0 5.91 54 46 A 29 TYR H A 28 LEU HBx 1.0 0.0 4.73 55 47 A 29 TYR H A 51 ALA HB% 1.0 0.0 4.06 56 48 A 29 TYR H A 28 LEU HBy 1.0 0.0 4.73 57 49 A 30 ASN H A 29 TYR HB2 1.0 0.0 4.78 58 50 A 30 ASN H A 29 TYR HB3 1.0 0.0 4.34 59 51 A 30 ASN H A 31 ILE H 1.0 0.0 4.27 60 52 A 31 ILE H A 31 ILE HG1x 1.0 0.0 4.84 61 53 A 74 ALA H A 75 ILE HD1% 1.0 0.0 5.29 62 54 A 74 ALA H A 71 LEU HDy% 1.0 0.0 5.68 63 55 A 31 ILE H A 31 ILE HB 1.0 0.0 3.92 64 56 A 74 ALA H A 36 ASN HD22 1.0 0.0 6.30 65 57 A 31 ILE H A 47 TYR HE% 1.0 0.0 6.30 66 58 A 48 PHE HD% A 74 ALA H 1.0 0.0 6.30 67 59 A 31 ILE H A 48 PHE HE% 1.0 0.0 6.30 68 60 A 74 ALA H A 48 PHE HE% 1.0 0.0 6.30 69 61 A 74 ALA H A 76 THR H 1.0 0.0 5.63 70 62 A 30 ASN H A 32 GLY H 1.0 0.0 5.75 71 63 A 32 GLY H A 47 TYR HD% 1.0 0.0 5.22 72 64 A 48 PHE HE% A 32 GLY H 1.0 0.0 5.22 73 65 A 31 ILE HB A 32 GLY H 1.0 0.0 4.29 74 66 A 32 GLY H A 30 ASN HB2 1.0 0.0 5.60 75 66 A 32 GLY H A 30 ASN HB3 1.0 0.0 5.60 76 67 A 32 GLY H A 47 TYR HB2 1.0 0.0 5.90 77 68 A 28 LEU HDy% A 32 GLY H 1.0 0.0 5.93 78 69 A 32 GLY H A 31 ILE HD1% 1.0 0.0 6.30 79 70 A 33 LEU H A 48 PHE HZ 1.0 0.0 4.87 80 71 A 32 GLY H A 33 LEU H 1.0 0.0 4.62 81 72 A 33 LEU H A 30 ASN HA 1.0 0.0 4.62 82 73 A 33 LEU H A 33 LEU HB2 1.0 0.0 3.93 83 74 A 33 LEU H A 33 LEU HG 1.0 0.0 3.82 84 75 A 34 GLU H A 36 ASN H 1.0 0.0 5.82 85 76 A 33 LEU H A 34 GLU H 1.0 0.0 4.37 86 77 A 34 GLU H A 31 ILE HA 1.0 0.0 5.00 87 78 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.41 88 79 A 33 LEU HB2 A 34 GLU H 1.0 0.0 4.04 89 80 A 33 LEU HG A 34 GLU H 1.0 0.0 5.57 90 81 A 34 GLU H A 33 LEU HB3 1.0 0.0 4.71 91 82 A 31 ILE HG2% A 35 LYS H 1.0 0.0 5.29 92 83 A 35 LYS H A 35 LYS HGx 1.0 0.0 4.73 93 84 A 35 LYS H A 35 LYS HGy 1.0 0.0 4.73 94 85 A 35 LYS H A 34 GLU HB2 1.0 0.0 4.05 95 85 A 35 LYS H A 34 GLU HB3 1.0 0.0 4.05 96 86 A 35 LYS H A 32 GLY HA2 1.0 0.0 5.59 97 87 A 34 GLU H A 35 LYS H 1.0 0.0 4.19 98 88 A 33 LEU H A 35 LYS H 1.0 0.0 5.57 99 89 A 20 GLN H A 18 LEU HDx% 1.0 0.0 6.30 100 90 A 20 GLN H A 23 LEU HDx% 1.0 0.0 6.30 101 91 A 36 ASN H A 36 ASN HBx 1.0 0.0 3.97 102 92 A 36 ASN H A 33 LEU HA 1.0 0.0 4.86 103 93 A 33 LEU HA A 36 ASN HD21 1.0 0.0 5.29 104 94 A 36 ASN HD21 A 36 ASN HA 1.0 0.0 6.09 105 95 A 36 ASN HD21 A 74 ALA HA 1.0 0.0 6.30 106 96 A 36 ASN HD21 A 44 ALA HB% 1.0 0.0 5.97 107 97 A 36 ASN HD21 A 74 ALA HB% 1.0 0.0 6.04 108 98 A 36 ASN HD21 A 73 GLU HB2 1.0 0.0 6.30 109 98 A 36 ASN HD21 A 73 GLU HB3 1.0 0.0 6.30 110 99 A 36 ASN HD22 A 33 LEU HA 1.0 0.0 6.30 111 100 A 36 ASN HD22 A 74 ALA HA 1.0 0.0 6.15 112 101 A 36 ASN HD22 A 74 ALA HB% 1.0 0.0 5.48 113 102 A 36 ASN HD22 A 77 ALA HB% 1.0 0.0 6.15 114 103 A 36 ASN HD22 A 44 ALA HB% 1.0 0.0 5.76 115 104 A 36 ASN HD22 A 33 LEU HDy% 1.0 0.0 6.28 116 105 A 37 LYS H A 36 ASN HBy 1.0 0.0 4.44 117 106 A 37 LYS H A 37 LYS HB2 1.0 0.0 3.34 118 106 A 37 LYS H A 37 LYS HB3 1.0 0.0 3.34 119 107 A 37 LYS H A 37 LYS HGx 1.0 0.0 4.79 120 108 A 44 ALA HB% A 37 LYS H 1.0 0.0 5.68 121 109 A 37 LYS H A 34 GLU HA 1.0 0.0 4.32 122 110 A 36 ASN H A 37 LYS H 1.0 0.0 4.06 123 111 A 38 MET H A 38 MET HB3 1.0 0.0 4.39 124 112 A 38 MET H A 38 MET HGy 1.0 0.0 4.44 125 113 A 38 MET H A 38 MET HGx 1.0 0.0 4.44 126 114 A 38 MET H A 35 LYS HA 1.0 0.0 4.49 127 115 A 36 ASN HA A 38 MET H 1.0 0.0 5.26 128 116 A 37 LYS H A 38 MET H 1.0 0.0 3.89 129 117 A 36 ASN H A 38 MET H 1.0 0.0 5.97 130 118 A 38 MET H A 38 MET HB2 1.0 0.0 3.81 131 119 A 38 MET H A 37 LYS HD2 1.0 0.0 6.30 132 119 A 38 MET H A 37 LYS HD3 1.0 0.0 6.30 133 120 A 38 MET H A 40 LYS HG2 1.0 0.0 5.72 134 120 A 38 MET H A 40 LYS HG3 1.0 0.0 5.72 135 121 A 39 GLY H A 40 LYS HG2 1.0 0.0 6.13 136 121 A 40 LYS HG3 A 39 GLY H 1.0 0.0 6.13 137 122 A 38 MET HB2 A 39 GLY H 1.0 0.0 5.26 138 123 A 38 MET HB3 A 39 GLY H 1.0 0.0 6.00 139 124 A 38 MET H A 39 GLY H 1.0 0.0 3.91 140 125 A 40 LYS H A 40 LYS HG2 1.0 0.0 3.93 141 125 A 40 LYS HG3 A 40 LYS H 1.0 0.0 3.93 142 126 A 38 MET HB3 A 40 LYS H 1.0 0.0 5.42 143 127 A 41 ALA H A 42 ARG H 1.0 0.0 4.24 144 128 A 41 ALA H A 45 ALA H 1.0 0.0 6.30 145 129 A 40 LYS H A 41 ALA H 1.0 0.0 4.77 146 130 A 44 ALA HB% A 41 ALA H 1.0 0.0 5.64 147 131 A 41 ALA H A 41 ALA HB% 1.0 0.0 3.28 148 132 A 41 ALA H A 40 LYS HBx 1.0 0.0 5.10 149 133 A 42 ARG H A 42 ARG HBy 1.0 0.0 3.94 150 134 A 42 ARG H A 42 ARG HBx 1.0 0.0 3.94 151 135 A 42 ARG H A 41 ALA HB% 1.0 0.0 4.07 152 136 A 42 ARG H A 78 ILE HG2% 1.0 0.0 5.37 153 137 A 42 ARG H A 43 GLU H 1.0 0.0 4.09 154 138 A 43 GLU H A 43 GLU HGy 1.0 0.0 4.48 155 139 A 43 GLU H A 43 GLU HGx 1.0 0.0 4.48 156 140 A 78 ILE HG2% A 43 GLU H 1.0 0.0 6.05 157 141 A 41 ALA H A 43 GLU H 1.0 0.0 5.85 158 142 A 44 ALA HB% A 44 ALA H 1.0 0.0 3.46 159 143 A 44 ALA H A 40 LYS HBx 1.0 0.0 4.81 160 144 A 44 ALA H A 43 GLU HB2 1.0 0.0 3.79 161 144 A 44 ALA H A 43 GLU HB3 1.0 0.0 3.79 162 145 A 44 ALA H A 43 GLU HGx 1.0 0.0 5.76 163 146 A 44 ALA H A 43 GLU HGy 1.0 0.0 5.76 164 147 A 47 TYR HB2 A 44 ALA H 1.0 0.0 6.30 165 148 A 44 ALA H A 41 ALA HA 1.0 0.0 4.30 166 149 A 48 PHE HD% A 44 ALA H 1.0 0.0 6.30 167 150 A 48 PHE HE% A 44 ALA H 1.0 0.0 6.30 168 151 A 47 TYR HD% A 44 ALA H 1.0 0.0 6.30 169 152 A 41 ALA H A 44 ALA H 1.0 0.0 5.66 170 153 A 44 ALA H A 47 TYR H 1.0 0.0 6.30 171 154 A 43 GLU H A 44 ALA H 1.0 0.0 3.81 172 155 A 42 ARG H A 44 ALA H 1.0 0.0 5.02 173 156 A 45 ALA H A 44 ALA H 1.0 0.0 3.91 174 157 A 48 PHE HD% A 45 ALA H 1.0 0.0 5.25 175 158 A 74 ALA HB% A 45 ALA H 1.0 0.0 4.51 176 159 A 45 ALA H A 46 GLU HB2 1.0 0.0 5.27 177 159 A 45 ALA H A 46 GLU HB3 1.0 0.0 5.27 178 160 A 45 ALA H A 45 ALA HB% 1.0 0.0 3.38 179 161 A 44 ALA HB% A 45 ALA H 1.0 0.0 3.75 180 162 A 45 ALA HB% A 46 GLU H 1.0 0.0 3.92 181 163 A 46 GLU H A 46 GLU HB2 1.0 0.0 3.44 182 163 A 46 GLU HB3 A 46 GLU H 1.0 0.0 3.44 183 164 A 46 GLU H A 46 GLU HGy 1.0 0.0 4.82 184 165 A 46 GLU H A 43 GLU HA 1.0 0.0 4.57 185 166 A 47 TYR H A 46 GLU H 1.0 0.0 3.95 186 167 A 45 ALA H A 46 GLU H 1.0 0.0 4.19 187 168 A 44 ALA H A 46 GLU H 1.0 0.0 6.06 188 169 A 46 GLU H A 48 PHE H 1.0 0.0 5.57 189 170 A 47 TYR H A 44 ALA HA 1.0 0.0 5.10 190 171 A 47 TYR H A 47 TYR HB3 1.0 0.0 4.38 191 172 A 47 TYR HB2 A 47 TYR H 1.0 0.0 3.94 192 173 A 47 TYR H A 46 GLU HB2 1.0 0.0 3.98 193 173 A 47 TYR H A 46 GLU HB3 1.0 0.0 3.98 194 174 A 47 TYR H A 48 PHE H 1.0 0.0 3.86 195 175 A 48 PHE HD% A 48 PHE H 1.0 0.0 4.28 196 176 A 48 PHE H A 45 ALA HA 1.0 0.0 4.59 197 177 A 52 ALA HA A 55 PHE H 1.0 0.0 4.85 198 178 A 48 PHE H A 44 ALA HA 1.0 0.0 4.88 199 179 A 48 PHE H A 48 PHE HB2 1.0 0.0 3.90 200 180 A 48 PHE H A 71 LEU HDx% 1.0 0.0 5.01 201 181 A 47 TYR HB2 A 48 PHE H 1.0 0.0 4.61 202 182 A 47 TYR H A 49 PHE H 1.0 0.0 5.84 203 183 A 49 PHE H A 49 PHE HD% 1.0 0.0 4.79 204 184 A 48 PHE HD% A 49 PHE H 1.0 0.0 5.49 205 185 A 45 ALA HA A 49 PHE H 1.0 0.0 4.96 206 186 A 49 PHE H A 46 GLU HA 1.0 0.0 4.63 207 187 A 49 PHE H A 48 PHE HB3 1.0 0.0 4.53 208 188 A 49 PHE H A 49 PHE HB2 1.0 0.0 3.71 209 189 A 49 PHE H A 49 PHE HB3 1.0 0.0 3.73 210 190 A 48 PHE HB2 A 49 PHE H 1.0 0.0 4.20 211 191 A 49 PHE H A 46 GLU HB2 1.0 0.0 5.20 212 191 A 46 GLU HB3 A 49 PHE H 1.0 0.0 5.20 213 192 A 46 GLU H A 49 PHE H 1.0 0.0 6.30 214 193 A 28 LEU HDx% A 50 ARG H 1.0 0.0 5.29 215 194 A 71 LEU HDx% A 50 ARG H 1.0 0.0 5.66 216 195 A 50 ARG H A 50 ARG HGx 1.0 0.0 4.34 217 196 A 50 ARG H A 50 ARG HB2 1.0 0.0 3.89 218 197 A 50 ARG H A 50 ARG HGy 1.0 0.0 4.34 219 198 A 50 ARG H A 50 ARG HB3 1.0 0.0 4.27 220 199 A 50 ARG H A 50 ARG HDx 1.0 0.0 5.75 221 200 A 50 ARG H A 50 ARG HDy 1.0 0.0 5.75 222 201 A 49 PHE HB3 A 50 ARG H 1.0 0.0 4.23 223 202 A 49 PHE HB2 A 50 ARG H 1.0 0.0 4.68 224 203 A 49 PHE HD% A 50 ARG H 1.0 0.0 5.01 225 204 A 49 PHE H A 50 ARG H 1.0 0.0 4.02 226 205 A 28 LEU HDx% A 51 ALA H 1.0 0.0 4.69 227 206 A 51 ALA HB% A 51 ALA H 1.0 0.0 3.35 228 207 A 50 ARG HB3 A 51 ALA H 1.0 0.0 4.91 229 208 A 29 TYR HB2 A 51 ALA H 1.0 0.0 5.74 230 209 A 51 ALA H A 29 TYR HA 1.0 0.0 5.97 231 210 A 52 ALA HA A 51 ALA H 1.0 0.0 6.30 232 211 A 51 ALA H A 49 PHE HA 1.0 0.0 6.09 233 212 A 48 PHE HD% A 51 ALA H 1.0 0.0 6.09 234 213 A 51 ALA H A 54 VAL H 1.0 0.0 5.43 235 214 A 51 ALA H A 53 ILE H 1.0 0.0 5.68 236 215 A 50 ARG H A 51 ALA H 1.0 0.0 3.95 237 216 A 49 PHE H A 51 ALA H 1.0 0.0 5.09 238 217 A 52 ALA H A 53 ILE HA 1.0 0.0 5.45 239 218 A 49 PHE HA A 52 ALA H 1.0 0.0 4.41 240 219 A 52 ALA H A 52 ALA HB% 1.0 0.0 3.27 241 220 A 52 ALA H A 67 ALA HB% 1.0 0.0 4.06 242 221 A 52 ALA H A 53 ILE HG13 1.0 0.0 4.88 243 222 A 71 LEU HDx% A 52 ALA H 1.0 0.0 5.85 244 223 A 28 LEU HDx% A 52 ALA H 1.0 0.0 5.63 245 224 A 54 VAL H A 52 ALA H 1.0 0.0 4.95 246 225 A 53 ILE H A 52 ALA H 1.0 0.0 4.07 247 226 A 51 ALA H A 52 ALA H 1.0 0.0 3.80 248 227 A 53 ILE H A 53 ILE HG2% 1.0 0.0 4.25 249 228 A 53 ILE H A 53 ILE HG12 1.0 0.0 4.54 250 229 A 53 ILE H A 54 VAL HGy% 1.0 0.0 5.42 251 230 A 53 ILE H A 53 ILE HG13 1.0 0.0 3.70 252 231 A 53 ILE H A 52 ALA HB% 1.0 0.0 3.60 253 232 A 53 ILE H A 53 ILE HB 1.0 0.0 3.83 254 233 A 53 ILE H A 54 VAL HA 1.0 0.0 5.79 255 234 A 53 ILE H A 50 ARG HA 1.0 0.0 4.67 256 235 A 49 PHE HA A 53 ILE H 1.0 0.0 5.85 257 236 A 54 VAL H A 53 ILE H 1.0 0.0 3.94 258 237 A 55 PHE H A 53 ILE H 1.0 0.0 5.66 259 238 A 54 VAL H A 55 PHE HA 1.0 0.0 6.30 260 239 A 51 ALA HA A 54 VAL H 1.0 0.0 4.66 261 240 A 25 GLY HA3 A 54 VAL H 1.0 0.0 6.30 262 241 A 54 VAL H A 55 PHE HB2 1.0 0.0 6.30 263 242 A 54 VAL H A 53 ILE HB 1.0 0.0 3.62 264 243 A 54 VAL H A 53 ILE HG13 1.0 0.0 5.30 265 244 A 54 VAL H A 53 ILE HG2% 1.0 0.0 4.23 266 245 A 54 VAL H A 53 ILE HD1% 1.0 0.0 5.18 267 246 A 55 PHE H A 55 PHE HB3 1.0 0.0 4.26 268 247 A 55 PHE H A 54 VAL HB 1.0 0.0 3.80 269 248 A 55 PHE H A 54 VAL HGx% 1.0 0.0 4.55 270 249 A 55 PHE H A 54 VAL HGy% 1.0 0.0 4.92 271 250 A 55 PHE H A 55 PHE HB2 1.0 0.0 3.98 272 251 A 55 PHE H A 54 VAL H 1.0 0.0 3.73 273 252 A 53 ILE HG2% A 56 TYR H 1.0 0.0 6.03 274 253 A 54 VAL HGx% A 56 TYR H 1.0 0.0 6.30 275 254 A 56 TYR H A 64 LEU HDy% 1.0 0.0 5.04 276 255 A 56 TYR H A 56 TYR HB3 1.0 0.0 3.69 277 256 A 55 PHE HB2 A 56 TYR H 1.0 0.0 4.36 278 257 A 56 TYR H A 56 TYR HB2 1.0 0.0 3.73 279 258 A 54 VAL HA A 56 TYR H 1.0 0.0 5.74 280 259 A 55 PHE HB3 A 56 TYR H 1.0 0.0 4.88 281 260 A 52 ALA HA A 56 TYR H 1.0 0.0 5.04 282 261 A 56 TYR H A 55 PHE HD% 1.0 0.0 5.53 283 262 A 54 VAL H A 56 TYR H 1.0 0.0 5.31 284 263 A 56 TYR H A 57 LYS H 1.0 0.0 4.09 285 264 A 53 ILE H A 56 TYR H 1.0 0.0 5.75 286 265 A 54 VAL H A 57 LYS H 1.0 0.0 5.17 287 266 A 53 ILE HA A 57 LYS H 1.0 0.0 5.83 288 267 A 56 TYR HB2 A 57 LYS H 1.0 0.0 4.86 289 268 A 56 TYR HB3 A 57 LYS H 1.0 0.0 4.23 290 269 A 57 LYS H A 57 LYS HB2 1.0 0.0 3.51 291 269 A 57 LYS H A 57 LYS HB3 1.0 0.0 3.51 292 270 A 57 LYS H A 57 LYS HGy 1.0 0.0 5.04 293 271 A 53 ILE HG2% A 57 LYS H 1.0 0.0 5.76 294 272 A 58 GLU H A 57 LYS HB2 1.0 0.0 3.87 295 272 A 57 LYS HB3 A 58 GLU H 1.0 0.0 3.87 296 273 A 58 GLU H A 58 GLU HBx 1.0 0.0 4.38 297 274 A 58 GLU H A 58 GLU HBy 1.0 0.0 4.38 298 275 A 54 VAL HGx% A 58 GLU H 1.0 0.0 5.89 299 276 A 58 GLU H A 60 ASP H 1.0 0.0 5.94 300 277 A 56 TYR H A 58 GLU H 1.0 0.0 5.84 301 278 A 57 LYS HA A 59 HIS H 1.0 0.0 4.86 302 279 A 59 HIS H A 58 GLU HBy 1.0 0.0 5.17 303 280 A 59 HIS H A 58 GLU HBx 1.0 0.0 5.17 304 281 A 59 HIS H A 56 TYR HD% 1.0 0.0 6.05 305 282 A 60 ASP H A 59 HIS H 1.0 0.0 4.14 306 283 A 55 PHE HD% A 60 ASP H 1.0 0.0 5.92 307 284 A 55 PHE HA A 60 ASP H 1.0 0.0 5.40 308 285 A 55 PHE HB3 A 60 ASP H 1.0 0.0 5.46 309 286 A 60 ASP H A 59 HIS HB2 1.0 0.0 5.66 310 286 A 60 ASP H A 59 HIS HB3 1.0 0.0 5.66 311 287 A 60 ASP H A 60 ASP HB2 1.0 0.0 4.22 312 288 A 60 ASP H A 60 ASP HB3 1.0 0.0 4.30 313 289 A 60 ASP H A 58 GLU HBy 1.0 0.0 5.26 314 290 A 60 ASP H A 58 GLU HBx 1.0 0.0 5.26 315 291 A 60 ASP H A 56 TYR HA 1.0 0.0 5.85 316 292 A 60 ASP HB3 A 61 THR H 1.0 0.0 5.06 317 293 A 60 ASP HB2 A 61 THR H 1.0 0.0 6.23 318 294 A 61 THR H A 61 THR HB 1.0 0.0 3.93 319 295 A 61 THR H A 62 ASP H 1.0 0.0 3.91 320 296 A 61 THR HB A 62 ASP H 1.0 0.0 4.03 321 297 A 62 ASP H A 62 ASP HBy 1.0 0.0 3.83 322 298 A 62 ASP H A 62 ASP HBx 1.0 0.0 3.83 323 299 A 62 ASP H A 63 GLY HA3 1.0 0.0 5.67 324 300 A 62 ASP H A 61 THR HG2% 1.0 0.0 5.11 325 301 A 63 GLY H A 64 LEU HB3 1.0 0.0 5.92 326 302 A 63 GLY H A 62 ASP HBx 1.0 0.0 4.35 327 303 A 63 GLY H A 62 ASP HBy 1.0 0.0 4.35 328 304 A 60 ASP HB2 A 63 GLY H 1.0 0.0 6.08 329 305 A 55 PHE HB3 A 63 GLY H 1.0 0.0 5.78 330 306 A 63 GLY H A 61 THR HA 1.0 0.0 6.30 331 307 A 62 ASP H A 63 GLY H 1.0 0.0 4.09 332 308 A 63 GLY H A 65 ARG H 1.0 0.0 5.60 333 309 A 98 LEU HDx% A 64 LEU H 1.0 0.0 6.04 334 310 A 98 LEU HDx% A 97 TRP H 1.0 0.0 6.30 335 311 A 64 LEU HDy% A 64 LEU H 1.0 0.0 4.89 336 312 A 64 LEU HDy% A 97 TRP H 1.0 0.0 5.39 337 313 A 97 TRP HB2 A 97 TRP H 1.0 0.0 3.83 338 314 A 64 LEU HB3 A 64 LEU H 1.0 0.0 3.53 339 315 A 97 TRP H A 97 TRP HB3 1.0 0.0 4.28 340 316 A 55 PHE HB3 A 64 LEU H 1.0 0.0 3.85 341 317 A 64 LEU H A 64 LEU HB2 1.0 0.0 3.66 342 318 A 64 LEU H A 64 LEU HDx% 1.0 0.0 4.32 343 319 A 65 ARG H A 64 LEU H 1.0 0.0 4.05 344 320 A 64 LEU H A 67 ALA H 1.0 0.0 5.61 345 321 A 65 ARG H A 62 ASP HA 1.0 0.0 4.82 346 322 A 65 ARG H A 65 ARG HB2 1.0 0.0 3.31 347 322 A 65 ARG H A 65 ARG HB3 1.0 0.0 3.31 348 323 A 64 LEU HDy% A 65 ARG H 1.0 0.0 5.34 349 324 A 75 ILE HG2% A 88 LYS H 1.0 0.0 4.73 350 325 A 63 GLY HA2 A 66 ARG H 1.0 0.0 4.87 351 326 A 66 ARG H A 66 ARG HB2 1.0 0.0 3.28 352 326 A 66 ARG H A 66 ARG HB3 1.0 0.0 3.28 353 327 A 90 MET H A 90 MET HG2 1.0 0.0 4.44 354 328 A 90 MET H A 90 MET HG3 1.0 0.0 3.90 355 329 A 90 MET H A 90 MET HB2 1.0 0.0 4.40 356 330 A 67 ALA H A 66 ARG H 1.0 0.0 3.94 357 331 A 65 ARG H A 66 ARG H 1.0 0.0 4.03 358 332 A 66 ARG H A 65 ARG HB2 1.0 0.0 3.78 359 332 A 65 ARG HB3 A 66 ARG H 1.0 0.0 3.78 360 333 A 90 MET H A 87 ALA HA 1.0 0.0 4.54 361 334 A 90 MET H A 91 ALA H 1.0 0.0 4.42 362 335 A 66 ARG H A 68 ALA H 1.0 0.0 5.75 363 336 A 98 LEU HDx% A 68 ALA H 1.0 0.0 5.51 364 337 A 68 ALA H A 68 ALA HB% 1.0 0.0 3.31 365 338 A 67 ALA HB% A 68 ALA H 1.0 0.0 3.76 366 339 A 69 LYS H A 68 ALA H 1.0 0.0 4.01 367 340 A 67 ALA H A 68 ALA H 1.0 0.0 4.04 368 341 A 69 LYS H A 67 ALA H 1.0 0.0 6.12 369 342 A 69 LYS H A 69 LYS HB2 1.0 0.0 3.26 370 342 A 69 LYS H A 69 LYS HB3 1.0 0.0 3.26 371 343 A 69 LYS H A 68 ALA HB% 1.0 0.0 3.75 372 344 A 69 LYS H A 69 LYS HG2 1.0 0.0 5.02 373 344 A 69 LYS H A 69 LYS HG3 1.0 0.0 5.02 374 345 A 69 LYS H A 71 LEU HDx% 1.0 0.0 6.30 375 346 A 68 ALA H A 70 SER H 1.0 0.0 6.03 376 347 A 70 SER H A 71 LEU H 1.0 0.0 4.09 377 348 A 70 SER H A 72 LYS H 1.0 0.0 5.85 378 349 A 48 PHE HD% A 70 SER H 1.0 0.0 6.30 379 350 A 48 PHE HE% A 70 SER H 1.0 0.0 6.30 380 351 A 70 SER H A 67 ALA HA 1.0 0.0 4.87 381 352 A 70 SER H A 69 LYS HB2 1.0 0.0 3.72 382 352 A 69 LYS HB3 A 70 SER H 1.0 0.0 3.72 383 353 A 70 SER H A 69 LYS HD2 1.0 0.0 5.38 384 353 A 70 SER H A 69 LYS HD3 1.0 0.0 5.38 385 354 A 68 ALA HB% A 70 SER H 1.0 0.0 5.18 386 355 A 70 SER H A 69 LYS HG2 1.0 0.0 5.27 387 355 A 69 LYS HG3 A 70 SER H 1.0 0.0 5.27 388 356 A 71 LEU HDx% A 71 LEU H 1.0 0.0 4.65 389 357 A 68 ALA HB% A 71 LEU H 1.0 0.0 5.22 390 358 A 71 LEU H A 71 LEU HB3 1.0 0.0 3.65 391 359 A 71 LEU H A 71 LEU HB2 1.0 0.0 3.59 392 360 A 71 LEU H A 70 SER HBx 1.0 0.0 4.99 393 361 A 71 LEU H A 70 SER HBy 1.0 0.0 4.99 394 362 A 48 PHE HB2 A 71 LEU H 1.0 0.0 5.42 395 363 A 48 PHE HB3 A 71 LEU H 1.0 0.0 5.20 396 364 A 71 LEU H A 68 ALA HA 1.0 0.0 4.56 397 365 A 48 PHE HD% A 71 LEU H 1.0 0.0 5.39 398 366 A 71 LEU H A 72 LYS H 1.0 0.0 3.99 399 367 A 69 LYS H A 71 LEU H 1.0 0.0 5.05 400 368 A 68 ALA H A 71 LEU H 1.0 0.0 6.30 401 369 A 71 LEU HDy% A 72 LYS H 1.0 0.0 5.13 402 370 A 72 LYS H A 72 LYS HGx 1.0 0.0 4.42 403 371 A 72 LYS H A 72 LYS HGy 1.0 0.0 4.42 404 372 A 72 LYS H A 71 LEU HB3 1.0 0.0 4.03 405 373 A 72 LYS H A 72 LYS HB2 1.0 0.0 3.30 406 373 A 72 LYS H A 72 LYS HB3 1.0 0.0 3.30 407 374 A 72 LYS H A 68 ALA HA 1.0 0.0 4.73 408 375 A 72 LYS H A 69 LYS HA 1.0 0.0 5.04 409 376 A 75 ILE HD1% A 73 GLU H 1.0 0.0 6.30 410 377 A 73 GLU H A 72 LYS HD2 1.0 0.0 5.52 411 377 A 73 GLU H A 72 LYS HD3 1.0 0.0 5.52 412 378 A 74 ALA HB% A 73 GLU H 1.0 0.0 5.70 413 379 A 73 GLU H A 73 GLU HGx 1.0 0.0 4.24 414 380 A 73 GLU H A 73 GLU HGy 1.0 0.0 4.24 415 381 A 73 GLU H A 73 GLU HB2 1.0 0.0 3.35 416 381 A 73 GLU HB3 A 73 GLU H 1.0 0.0 3.35 417 382 A 73 GLU H A 70 SER HA 1.0 0.0 4.54 418 383 A 74 ALA HA A 73 GLU H 1.0 0.0 6.03 419 384 A 74 ALA H A 75 ILE H 1.0 0.0 4.05 420 385 A 76 THR H A 75 ILE H 1.0 0.0 4.26 421 386 A 75 ILE H A 73 GLU HA 1.0 0.0 5.29 422 387 A 75 ILE H A 75 ILE HB 1.0 0.0 3.69 423 388 A 75 ILE HD1% A 75 ILE H 1.0 0.0 3.85 424 389 A 75 ILE H A 78 ILE HD1% 1.0 0.0 5.42 425 390 A 75 ILE H A 91 ALA HB% 1.0 0.0 5.16 426 391 A 45 ALA HB% A 75 ILE H 1.0 0.0 5.61 427 392 A 77 ALA HB% A 75 ILE H 1.0 0.0 6.30 428 393 A 76 THR H A 75 ILE HG2% 1.0 0.0 4.46 429 394 A 76 THR H A 74 ALA HB% 1.0 0.0 5.47 430 395 A 76 THR H A 75 ILE HB 1.0 0.0 3.93 431 396 A 76 THR H A 77 ALA H 1.0 0.0 3.81 432 397 A 75 ILE HB A 77 ALA H 1.0 0.0 5.58 433 398 A 77 ALA H A 78 ILE HB 1.0 0.0 5.97 434 399 A 74 ALA HA A 77 ALA H 1.0 0.0 4.46 435 400 A 77 ALA H A 75 ILE HA 1.0 0.0 5.45 436 401 A 77 ALA HB% A 77 ALA H 1.0 0.0 3.30 437 402 A 74 ALA HB% A 77 ALA H 1.0 0.0 5.07 438 403 A 78 ILE HD1% A 77 ALA H 1.0 0.0 5.73 439 404 A 75 ILE HG2% A 77 ALA H 1.0 0.0 5.43 440 405 A 78 ILE HD1% A 78 ILE H 1.0 0.0 4.38 441 406 A 78 ILE HG2% A 78 ILE H 1.0 0.0 4.78 442 407 A 41 ALA HB% A 78 ILE H 1.0 0.0 4.33 443 408 A 77 ALA HB% A 78 ILE H 1.0 0.0 4.75 444 409 A 78 ILE HB A 78 ILE H 1.0 0.0 3.71 445 410 A 78 ILE H A 78 ILE HG1y 1.0 0.0 4.58 446 411 A 75 ILE HA A 78 ILE H 1.0 0.0 4.99 447 412 A 78 ILE H A 76 THR HA 1.0 0.0 4.97 448 413 A 87 ALA H A 88 LYS HA 1.0 0.0 5.61 449 414 A 88 LYS H A 87 ALA H 1.0 0.0 4.44 450 415 A 88 LYS H A 87 ALA HB% 1.0 0.0 4.04 451 416 A 65 ARG H A 64 LEU HG 1.0 0.0 5.07 452 417 A 90 MET HG2 A 89 GLU H 1.0 0.0 5.49 453 418 A 87 ALA HB% A 89 GLU H 1.0 0.0 5.13 454 419 A 91 ALA HB% A 89 GLU H 1.0 0.0 5.66 455 420 A 89 GLU H A 88 LYS HGy 1.0 0.0 5.91 456 421 A 89 GLU H A 88 LYS HBy 1.0 0.0 4.71 457 422 A 89 GLU H A 89 GLU HBy 1.0 0.0 4.15 458 423 A 89 GLU H A 90 MET HA 1.0 0.0 6.06 459 424 A 87 ALA HA A 89 GLU H 1.0 0.0 5.45 460 425 A 91 ALA H A 89 GLU H 1.0 0.0 5.33 461 426 A 88 LYS H A 89 GLU H 1.0 0.0 4.07 462 427 A 75 ILE HD1% A 92 LYS H 1.0 0.0 6.02 463 428 A 71 LEU HDy% A 92 LYS H 1.0 0.0 6.09 464 429 A 91 ALA HB% A 92 LYS H 1.0 0.0 3.73 465 430 A 92 LYS H A 92 LYS HB2 1.0 0.0 3.27 466 430 A 92 LYS H A 92 LYS HB3 1.0 0.0 3.27 467 431 A 93 LYS HA A 92 LYS H 1.0 0.0 6.30 468 432 A 90 MET HA A 92 LYS H 1.0 0.0 6.30 469 433 A 92 LYS H A 93 LYS H 1.0 0.0 3.93 470 434 A 91 ALA H A 92 LYS H 1.0 0.0 4.16 471 435 A 91 ALA H A 93 LYS H 1.0 0.0 5.95 472 436 A 93 LYS H A 93 LYS HE2 1.0 0.0 6.30 473 436 A 93 LYS H A 93 LYS HE3 1.0 0.0 6.30 474 437 A 90 MET HB2 A 93 LYS H 1.0 0.0 5.33 475 438 A 93 LYS H A 92 LYS HB2 1.0 0.0 3.90 476 438 A 92 LYS HB3 A 93 LYS H 1.0 0.0 3.90 477 439 A 93 LYS H A 93 LYS HB2 1.0 0.0 3.78 478 440 A 91 ALA HB% A 93 LYS H 1.0 0.0 5.34 479 441 A 94 ALA HB% A 93 LYS H 1.0 0.0 5.63 480 442 A 93 LYS H A 93 LYS HGy 1.0 0.0 4.69 481 443 A 93 LYS HB3 A 93 LYS H 1.0 0.0 4.30 482 444 A 93 LYS H A 93 LYS HGx 1.0 0.0 4.69 483 445 A 93 LYS HB3 A 94 ALA H 1.0 0.0 4.13 484 446 A 94 ALA HB% A 94 ALA H 1.0 0.0 3.37 485 447 A 93 LYS HB2 A 94 ALA H 1.0 0.0 4.03 486 448 A 94 ALA H A 92 LYS HB2 1.0 0.0 5.12 487 448 A 92 LYS HB3 A 94 ALA H 1.0 0.0 5.12 488 449 A 90 MET HA A 94 ALA H 1.0 0.0 5.29 489 450 A 93 LYS H A 94 ALA H 1.0 0.0 3.84 490 451 A 94 ALA H A 49 PHE HE% 1.0 0.0 4.65 491 452 A 93 LYS H A 95 GLU H 1.0 0.0 5.51 492 453 A 93 LYS HA A 95 GLU H 1.0 0.0 6.01 493 454 A 95 GLU H A 95 GLU HB2 1.0 0.0 3.59 494 454 A 95 GLU HB3 A 95 GLU H 1.0 0.0 3.59 495 455 A 93 LYS HB3 A 95 GLU H 1.0 0.0 5.76 496 456 A 94 ALA HB% A 95 GLU H 1.0 0.0 3.97 497 457 A 97 TRP H A 56 TYR HE% 1.0 0.0 6.30 498 458 A 55 PHE HD% A 64 LEU H 1.0 0.0 5.15 499 459 A 96 GLU H A 97 TRP H 1.0 0.0 3.79 500 460 A 98 LEU HDy% A 98 LEU H 1.0 0.0 4.55 501 461 A 64 LEU HDx% A 98 LEU H 1.0 0.0 5.60 502 462 A 94 ALA HB% A 98 LEU H 1.0 0.0 6.08 503 463 A 98 LEU H A 98 LEU HBx 1.0 0.0 3.96 504 464 A 97 TRP HB3 A 98 LEU H 1.0 0.0 4.58 505 465 A 97 TRP HB2 A 98 LEU H 1.0 0.0 4.26 506 466 A 56 TYR HE% A 97 TRP HE1 1.0 0.0 4.58 507 467 A 97 TRP HE1 A 97 TRP HA 1.0 0.0 4.94 508 468 A 97 TRP HE1 A 93 LYS HE2 1.0 0.0 5.48 509 468 A 93 LYS HE3 A 97 TRP HE1 1.0 0.0 5.48 510 469 A 97 TRP HE1 A 93 LYS HDx 1.0 0.0 5.72 511 470 A 93 LYS HB3 A 97 TRP HE1 1.0 0.0 5.16 512 471 A 97 TRP H A 97 TRP HE1 1.0 0.0 6.15 513 472 A 99 GLN H A 99 GLN HGx 1.0 0.0 4.61 514 473 A 98 LEU HDx% A 99 GLN H 1.0 0.0 5.40 515 474 A 28 LEU H A 28 LEU HBx 1.0 0.0 4.16 516 475 A 99 GLN H A 99 GLN HB2 1.0 0.0 3.33 517 475 A 99 GLN H A 99 GLN HB3 1.0 0.0 3.33 518 476 A 94 ALA H A 95 GLU HB2 1.0 0.0 4.86 519 476 A 95 GLU HB3 A 94 ALA H 1.0 0.0 4.86 520 477 A 99 GLN H A 100 ALA H 1.0 0.0 3.66 521 478 A 100 ALA H A 101 GLU H 1.0 0.0 3.96 522 479 A 100 ALA H A 99 GLN HGx 1.0 0.0 5.87 523 480 A 100 ALA H A 99 GLN HGy 1.0 0.0 5.87 524 481 A 100 ALA H A 99 GLN HB2 1.0 0.0 3.78 525 481 A 99 GLN HB3 A 100 ALA H 1.0 0.0 3.78 526 482 A 100 ALA H A 100 ALA HB% 1.0 0.0 3.24 527 483 A 64 LEU HDy% A 100 ALA H 1.0 0.0 6.29 528 484 A 64 LEU HDy% A 101 GLU H 1.0 0.0 6.00 529 485 A 98 LEU HDx% A 101 GLU H 1.0 0.0 6.07 530 486 A 61 THR HG2% A 101 GLU H 1.0 0.0 6.04 531 487 A 101 GLU H A 100 ALA HB% 1.0 0.0 3.96 532 488 A 101 GLU H A 101 GLU HBx 1.0 0.0 3.91 533 489 A 101 GLU H A 101 GLU HGx 1.0 0.0 4.41 534 490 A 101 GLU H A 101 GLU HGy 1.0 0.0 4.41 535 491 A 101 GLU H A 98 LEU HA 1.0 0.0 4.55 536 492 A 56 TYR HD% A 101 GLU H 1.0 0.0 6.30 537 493 A 56 TYR HE% A 101 GLU H 1.0 0.0 6.30 538 494 A 102 GLN H A 102 GLN HGx 1.0 0.0 5.04 539 495 A 98 LEU HDx% A 102 GLN HE21 1.0 0.0 6.01 540 496 A 98 LEU HDy% A 102 GLN HE21 1.0 0.0 6.30 541 497 A 61 THR HG2% A 102 GLN HE21 1.0 0.0 6.30 542 498 A 102 GLN HE21 A 98 LEU HG 1.0 0.0 5.93 543 499 A 102 GLN HE21 A 102 GLN HBx 1.0 0.0 6.07 544 500 A 102 GLN HE21 A 102 GLN HBy 1.0 0.0 6.07 545 501 A 61 THR HB A 102 GLN HE21 1.0 0.0 5.91 546 502 A 98 LEU HA A 102 GLN HE21 1.0 0.0 6.25 547 503 A 102 GLN H A 102 GLN HE21 1.0 0.0 6.12 548 504 A 30 ASN HA A 30 ASN HD22 1.0 0.0 5.64 549 504 A 30 ASN HA A 30 ASN HD21 1.0 0.0 5.64 550 505 A 98 LEU HG A 102 GLN HE22 1.0 0.0 5.78 551 506 A 98 LEU HDy% A 102 GLN HE22 1.0 0.0 6.30 552 507 A 30 ASN HD21 A 26 ARG HGy 1.0 0.0 6.22 553 507 A 26 ARG HGy A 30 ASN HD22 1.0 0.0 6.22 554 508 A 11 ALA H A 11 ALA HB% 1.0 0.0 4.03 555 509 A 67 ALA H A 66 ARG HB2 1.0 0.0 3.98 556 509 A 67 ALA H A 66 ARG HB3 1.0 0.0 3.98 557 510 A 67 ALA HB% A 67 ALA H 1.0 0.0 3.64 558 511 A 67 ALA H A 63 GLY HA2 1.0 0.0 5.88 559 512 A 55 PHE HD% A 67 ALA H 1.0 0.0 5.92 560 513 A 67 ALA H A 29 TYR HD% 1.0 0.0 6.30 561 514 A 67 ALA H A 55 PHE HE% 1.0 0.0 6.30 562 515 A 33 LEU H A 33 LEU HB3 1.0 0.0 4.25 563 516 A 17 GLU H A 18 LEU H 1.0 0.0 5.67 564 517 A 25 GLY H A 26 ARG H 1.0 0.0 4.85 565 518 A 36 ASN H A 35 LYS H 1.0 0.0 3.94 566 519 A 48 PHE HE% A 36 ASN H 1.0 0.0 6.25 567 520 A 48 PHE HZ A 36 ASN H 1.0 0.0 6.30 568 521 A 45 ALA H A 47 TYR H 1.0 0.0 6.30 569 522 A 52 ALA H A 55 PHE HD% 1.0 0.0 5.69 570 523 A 52 ALA H A 97 TRP HZ3 1.0 0.0 6.30 571 524 A 52 ALA HA A 54 VAL H 1.0 0.0 6.30 572 525 A 58 GLU H A 59 HIS H 1.0 0.0 3.83 573 526 A 67 ALA H A 70 SER H 1.0 0.0 6.30 574 527 A 72 LYS H A 73 GLU H 1.0 0.0 3.86 575 528 A 72 LYS H A 75 ILE H 1.0 0.0 6.24 576 529 A 64 LEU H A 66 ARG H 1.0 0.0 5.13 577 530 A 2 ASP HA A 5 ILE H 1.0 0.0 5.65 578 531 A 27 ALA H A 28 LEU H 1.0 0.0 3.89 579 532 A 99 GLN H A 96 GLU HA 1.0 0.0 4.39 580 533 A 47 TYR HE% A 32 GLY H 1.0 0.0 6.26 581 534 A 33 LEU H A 31 ILE HA 1.0 0.0 6.23 582 535 A 30 ASN HA A 34 GLU H 1.0 0.0 6.25 583 536 A 48 PHE HE% A 34 GLU H 1.0 0.0 6.30 584 537 A 44 ALA H A 45 ALA HB% 1.0 0.0 5.02 585 538 A 71 LEU HDy% A 46 GLU H 1.0 0.0 6.16 586 539 A 44 ALA HB% A 46 GLU H 1.0 0.0 5.85 587 540 A 47 TYR HB2 A 46 GLU H 1.0 0.0 5.82 588 541 A 46 GLU H A 44 ALA HA 1.0 0.0 5.86 589 542 A 56 TYR H A 64 LEU HDx% 1.0 0.0 4.55 590 543 A 71 LEU HDx% A 49 PHE H 1.0 0.0 4.17 591 544 A 56 TYR H A 57 LYS HB2 1.0 0.0 5.24 592 544 A 56 TYR H A 57 LYS HB3 1.0 0.0 5.24 593 545 A 52 ALA HB% A 56 TYR H 1.0 0.0 5.23 594 546 A 56 TYR H A 64 LEU HB2 1.0 0.0 5.05 595 547 A 58 GLU H A 56 TYR HD% 1.0 0.0 6.24 596 548 A 58 GLU H A 56 TYR HA 1.0 0.0 6.07 597 549 A 59 HIS H A 60 ASP HB2 1.0 0.0 6.30 598 550 A 31 ILE H A 28 LEU HA 1.0 0.0 4.79 599 551 A 74 ALA H A 74 ALA HB% 1.0 0.0 3.38 600 552 A 74 ALA H A 73 GLU HB2 1.0 0.0 3.86 601 552 A 74 ALA H A 73 GLU HB3 1.0 0.0 3.86 602 553 A 31 ILE H A 30 ASN HB2 1.0 0.0 5.44 603 553 A 31 ILE H A 30 ASN HB3 1.0 0.0 5.44 604 554 A 87 ALA H A 86 GLU HBy 1.0 0.0 4.62 605 555 A 25 GLY H A 24 MET HBy 1.0 0.0 6.24 606 556 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.41 607 557 A 36 ASN H A 44 ALA HA 1.0 0.0 6.08 608 558 A 37 LYS H A 36 ASN HBx 1.0 0.0 4.44 609 559 A 38 MET H A 37 LYS HB2 1.0 0.0 4.15 610 559 A 37 LYS HB3 A 38 MET H 1.0 0.0 4.15 611 560 A 38 MET H A 40 LYS H 1.0 0.0 5.23 612 561 A 41 ALA H A 40 LYS HBy 1.0 0.0 5.10 613 562 A 41 ALA H A 43 GLU HB2 1.0 0.0 6.18 614 562 A 41 ALA H A 43 GLU HB3 1.0 0.0 6.18 615 563 A 42 ARG H A 78 ILE HD1% 1.0 0.0 5.22 616 564 A 44 ALA HB% A 42 ARG H 1.0 0.0 6.12 617 565 A 41 ALA HB% A 44 ALA H 1.0 0.0 4.96 618 566 A 49 PHE H A 71 LEU HG 1.0 0.0 4.81 619 567 A 49 PHE H A 90 MET HB3 1.0 0.0 5.74 620 568 A 45 ALA HB% A 49 PHE H 1.0 0.0 5.50 621 569 A 48 PHE H A 51 ALA H 1.0 0.0 5.65 622 570 A 52 ALA H A 53 ILE HD1% 1.0 0.0 6.07 623 571 A 59 HIS H A 56 TYR HA 1.0 0.0 4.59 624 572 A 61 THR H A 60 ASP HA 1.0 0.0 3.36 625 573 A 55 PHE HB2 A 64 LEU H 1.0 0.0 5.27 626 574 A 63 GLY HA3 A 67 ALA H 1.0 0.0 5.60 627 575 A 67 ALA H A 68 ALA HB% 1.0 0.0 6.16 628 576 A 72 LYS H A 72 LYS HE2 1.0 0.0 6.01 629 576 A 72 LYS H A 72 LYS HE3 1.0 0.0 6.01 630 577 A 78 ILE H A 78 ILE HG1x 1.0 0.0 4.58 631 578 A 64 LEU H A 64 LEU HG 1.0 0.0 5.18 632 579 A 97 TRP H A 100 ALA HB% 1.0 0.0 5.64 633 580 A 71 LEU HDy% A 90 MET H 1.0 0.0 5.29 634 581 A 90 MET HB2 A 91 ALA H 1.0 0.0 4.71 635 582 A 97 TRP HE1 A 93 LYS HDy 1.0 0.0 5.72 636 583 A 101 GLU H A 101 GLU HBy 1.0 0.0 3.91 637 584 A 30 ASN HD21 A 26 ARG HGx 1.0 0.0 6.22 638 584 A 26 ARG HGx A 30 ASN HD22 1.0 0.0 6.22 639 585 A 8 PHE H A 7 LYS HBx 1.0 0.0 5.42 640 586 A 8 PHE H A 7 LYS HBy 1.0 0.0 5.42 641 587 A 24 MET H A 23 LEU HDx% 1.0 0.0 5.65 642 588 A 24 MET H A 23 LEU HBx 1.0 0.0 5.08 643 589 A 24 MET H A 23 LEU HG 1.0 0.0 5.18 644 590 A 24 MET H A 23 LEU HBy 1.0 0.0 5.08 645 591 A 24 MET H A 24 MET HBx 1.0 0.0 4.18 646 592 A 24 MET H A 24 MET HBy 1.0 0.0 4.18 647 593 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.92 648 593 A 13 LYS H A 13 LYS HB3 1.0 0.0 3.92 649 594 A 29 TYR HD% A 30 ASN HD22 1.0 0.0 3.81 650 594 A 30 ASN HD21 A 29 TYR HD% 1.0 0.0 3.81 651 595 A 5 ILE HB A 2 ASP HBx 1.0 0.0 5.49 652 596 A 5 ILE HB A 2 ASP HBy 1.0 0.0 5.49 653 597 A 4 ASN HA A 7 LYS HBy 1.0 0.0 5.41 654 598 A 8 PHE HE% A 4 ASN HBy 1.0 0.0 5.92 655 599 A 8 PHE HE% A 4 ASN HBx 1.0 0.0 5.92 656 600 A 5 ILE H A 5 ILE HB 1.0 0.0 4.36 657 601 A 5 ILE HB A 6 ALA H 1.0 0.0 4.87 658 602 A 5 ILE H A 5 ILE HD1% 1.0 0.0 5.11 659 603 A 35 LYS H A 5 ILE HD1% 1.0 0.0 5.43 660 604 A 34 GLU H A 5 ILE HD1% 1.0 0.0 6.02 661 605 A 5 ILE HD1% A 8 PHE HD% 1.0 0.0 5.69 662 606 A 5 ILE HD1% A 5 ILE HA 1.0 0.0 4.57 663 607 A 35 LYS HA A 5 ILE HD1% 1.0 0.0 5.00 664 608 A 31 ILE HA A 5 ILE HD1% 1.0 0.0 5.25 665 609 A 5 ILE HD1% A 34 GLU HB2 1.0 0.0 4.08 666 609 A 34 GLU HB3 A 5 ILE HD1% 1.0 0.0 4.08 667 610 A 5 ILE HB A 5 ILE HD1% 1.0 0.0 3.79 668 611 A 31 ILE HG2% A 5 ILE HD1% 1.0 0.0 4.12 669 612 A 5 ILE HA A 5 ILE HG2% 1.0 0.0 3.81 670 613 A 75 ILE HG2% A 88 LYS HA 1.0 0.0 4.18 671 614 A 47 TYR HE% A 5 ILE HG2% 1.0 0.0 6.17 672 615 A 5 ILE HG2% A 6 ALA HA 1.0 0.0 4.40 673 616 A 6 ALA H A 6 ALA HB% 1.0 0.0 3.80 674 617 A 8 PHE HBx A 31 ILE HG1x 1.0 0.0 5.10 675 618 A 8 PHE HBx A 31 ILE HG1y 1.0 0.0 5.10 676 619 A 5 ILE HA A 8 PHE HBx 1.0 0.0 6.14 677 620 A 5 ILE HA A 8 PHE HBy 1.0 0.0 6.14 678 621 A 31 ILE HG1y A 8 PHE HBy 1.0 0.0 5.10 679 622 A 8 PHE HBy A 31 ILE HG1x 1.0 0.0 5.10 680 623 A 31 ILE HD1% A 9 GLU HA 1.0 0.0 4.55 681 624 A 12 TYR HB2 A 28 LEU H 1.0 0.0 6.30 682 625 A 15 ALA HB% A 12 TYR HD% 1.0 0.0 5.74 683 626 A 24 MET H A 15 ALA HB% 1.0 0.0 4.67 684 627 A 13 LYS H A 15 ALA HB% 1.0 0.0 5.38 685 628 A 15 ALA HB% A 17 GLU H 1.0 0.0 5.88 686 629 A 9 GLU HA A 9 GLU HGx 1.0 0.0 4.27 687 630 A 95 GLU HA A 95 GLU HGx 1.0 0.0 4.14 688 631 A 23 LEU HDx% A 20 GLN HGy 1.0 0.0 5.28 689 632 A 18 LEU HB3 A 20 GLN HGy 1.0 0.0 4.68 690 632 A 18 LEU HB2 A 20 GLN HGy 1.0 0.0 4.68 691 633 A 6 ALA HB% A 3 GLU HA 1.0 0.0 4.13 692 634 A 3 GLU HA A 3 GLU HG2 1.0 0.0 3.63 693 634 A 3 GLU HA A 3 GLU HG3 1.0 0.0 3.63 694 635 A 25 GLY H A 24 MET HE% 1.0 0.0 5.60 695 636 A 24 MET H A 24 MET HE% 1.0 0.0 5.67 696 637 A 12 TYR HD% A 24 MET HE% 1.0 0.0 5.19 697 638 A 24 MET HE% A 12 TYR HE% 1.0 0.0 4.22 698 639 A 24 MET HE% A 20 GLN HA 1.0 0.0 4.92 699 640 A 24 MET HE% A 23 LEU HA 1.0 0.0 4.69 700 641 A 24 MET HE% A 21 GLY HAy 1.0 0.0 4.80 701 642 A 24 MET HE% A 24 MET HA 1.0 0.0 4.99 702 643 A 24 MET HE% A 21 GLY HAx 1.0 0.0 4.80 703 644 A 54 VAL HGx% A 24 MET HE% 1.0 0.0 4.19 704 645 A 23 LEU HDx% A 24 MET HE% 1.0 0.0 4.01 705 646 A 15 ALA HB% A 24 MET HE% 1.0 0.0 4.75 706 647 A 13 LYS H A 24 MET HE% 1.0 0.0 6.18 707 648 A 25 GLY HA2 A 55 PHE HE% 1.0 0.0 5.33 708 649 A 25 GLY HA2 A 28 LEU H 1.0 0.0 6.24 709 650 A 51 ALA HA A 25 GLY HA3 1.0 0.0 5.28 710 651 A 26 ARG HA A 29 TYR HB2 1.0 0.0 4.41 711 652 A 26 ARG HA A 29 TYR HB3 1.0 0.0 4.23 712 653 A 28 LEU H A 26 ARG HA 1.0 0.0 5.85 713 654 A 26 ARG HA A 55 PHE HE% 1.0 0.0 4.58 714 655 A 27 ALA H A 26 ARG HB2 1.0 0.0 4.59 715 655 A 26 ARG HB3 A 27 ALA H 1.0 0.0 4.59 716 656 A 47 TYR HD% A 43 GLU HB2 1.0 0.0 5.15 717 656 A 47 TYR HD% A 43 GLU HB3 1.0 0.0 5.15 718 657 A 26 ARG HB2 A 30 ASN HD22 1.0 0.0 5.80 719 657 A 30 ASN HD21 A 26 ARG HB2 1.0 0.0 5.80 720 657 A 26 ARG HB3 A 30 ASN HD21 1.0 0.0 5.80 721 657 A 26 ARG HB3 A 30 ASN HD22 1.0 0.0 5.80 722 658 A 26 ARG HB3 A 26 ARG HDx 1.0 0.0 4.17 723 658 A 26 ARG HDx A 26 ARG HB2 1.0 0.0 4.17 724 659 A 26 ARG HA A 26 ARG HDx 1.0 0.0 5.19 725 660 A 55 PHE HZ A 26 ARG HDy 1.0 0.0 6.30 726 661 A 26 ARG HA A 26 ARG HDy 1.0 0.0 5.19 727 662 A 26 ARG HB3 A 26 ARG HDy 1.0 0.0 4.17 728 662 A 26 ARG HB2 A 26 ARG HDy 1.0 0.0 4.17 729 663 A 30 ASN HA A 29 TYR HD% 1.0 0.0 4.77 730 664 A 27 ALA HA A 30 ASN HB2 1.0 0.0 6.30 731 664 A 30 ASN HB3 A 27 ALA HA 1.0 0.0 6.30 732 665 A 12 TYR HB2 A 27 ALA HB% 1.0 0.0 4.61 733 666 A 28 LEU HDy% A 28 LEU HA 1.0 0.0 3.92 734 667 A 47 TYR HD% A 28 LEU HA 1.0 0.0 5.25 735 668 A 28 LEU HDy% A 12 TYR HE% 1.0 0.0 6.22 736 669 A 28 LEU HDx% A 50 ARG HB2 1.0 0.0 3.95 737 670 A 28 LEU HDx% A 50 ARG HB3 1.0 0.0 3.30 738 671 A 28 LEU HDx% A 50 ARG HDy 1.0 0.0 5.47 739 672 A 25 GLY HA2 A 28 LEU HDx% 1.0 0.0 4.45 740 673 A 51 ALA HA A 28 LEU HDx% 1.0 0.0 4.05 741 674 A 28 LEU HDx% A 28 LEU HA 1.0 0.0 4.66 742 675 A 28 LEU HDx% A 12 TYR HD% 1.0 0.0 4.40 743 676 A 28 LEU H A 28 LEU HDx% 1.0 0.0 4.34 744 677 A 25 GLY H A 28 LEU HDx% 1.0 0.0 6.08 745 678 A 32 GLY H A 29 TYR HA 1.0 0.0 5.40 746 679 A 28 LEU H A 29 TYR HA 1.0 0.0 6.30 747 680 A 33 LEU H A 29 TYR HA 1.0 0.0 6.30 748 681 A 48 PHE HD% A 29 TYR HA 1.0 0.0 4.32 749 682 A 48 PHE HE% A 29 TYR HA 1.0 0.0 4.90 750 683 A 51 ALA HB% A 29 TYR HA 1.0 0.0 4.42 751 684 A 29 TYR HB3 A 30 ASN HD22 1.0 0.0 5.64 752 684 A 29 TYR HB3 A 30 ASN HD21 1.0 0.0 5.64 753 685 A 29 TYR HB2 A 48 PHE HE% 1.0 0.0 5.96 754 686 A 29 TYR HB2 A 55 PHE HZ 1.0 0.0 6.03 755 687 A 31 ILE HA A 34 GLU HB2 1.0 0.0 4.88 756 687 A 31 ILE HA A 34 GLU HB3 1.0 0.0 4.88 757 688 A 31 ILE HA A 8 PHE HD% 1.0 0.0 5.63 758 689 A 31 ILE HB A 28 LEU HA 1.0 0.0 4.91 759 690 A 31 ILE HD1% A 31 ILE HG2% 1.0 0.0 3.35 760 691 A 31 ILE HB A 31 ILE HD1% 1.0 0.0 3.78 761 692 A 31 ILE HD1% A 9 GLU HGy 1.0 0.0 4.67 762 693 A 31 ILE HD1% A 9 GLU HGx 1.0 0.0 4.67 763 694 A 31 ILE HD1% A 8 PHE HBx 1.0 0.0 4.50 764 695 A 31 ILE HD1% A 8 PHE HBy 1.0 0.0 4.50 765 696 A 31 ILE HD1% A 31 ILE HA 1.0 0.0 4.95 766 697 A 31 ILE HD1% A 28 LEU HA 1.0 0.0 3.86 767 698 A 31 ILE HD1% A 12 TYR HD% 1.0 0.0 5.04 768 699 A 47 TYR HD% A 31 ILE HD1% 1.0 0.0 4.56 769 700 A 31 ILE H A 31 ILE HD1% 1.0 0.0 4.38 770 701 A 29 TYR H A 31 ILE HD1% 1.0 0.0 6.20 771 702 A 31 ILE H A 31 ILE HG1y 1.0 0.0 4.84 772 703 A 31 ILE HG2% A 31 ILE HG1x 1.0 0.0 4.22 773 704 A 31 ILE HG2% A 31 ILE HG1y 1.0 0.0 4.22 774 705 A 31 ILE HG2% A 34 GLU HB2 1.0 0.0 4.75 775 705 A 31 ILE HG2% A 34 GLU HB3 1.0 0.0 4.75 776 706 A 31 ILE HG2% A 35 LYS HEx 1.0 0.0 4.58 777 707 A 31 ILE HG2% A 35 LYS HEy 1.0 0.0 4.58 778 708 A 31 ILE HG2% A 32 GLY HA2 1.0 0.0 5.13 779 709 A 31 ILE HA A 31 ILE HG2% 1.0 0.0 3.85 780 710 A 31 ILE HG2% A 5 ILE HA 1.0 0.0 5.82 781 711 A 31 ILE HG2% A 35 LYS HA 1.0 0.0 6.30 782 712 A 31 ILE HG2% A 28 LEU HA 1.0 0.0 5.45 783 713 A 32 GLY H A 31 ILE HG2% 1.0 0.0 4.88 784 714 A 34 GLU H A 31 ILE HG2% 1.0 0.0 5.52 785 715 A 31 ILE H A 31 ILE HG2% 1.0 0.0 4.79 786 716 A 48 PHE HD% A 32 GLY HA3 1.0 0.0 5.81 787 717 A 47 TYR HB2 A 32 GLY HA3 1.0 0.0 5.10 788 718 A 47 TYR HB2 A 32 GLY HA2 1.0 0.0 5.11 789 719 A 48 PHE HD% A 32 GLY HA2 1.0 0.0 6.30 790 720 A 48 PHE HE% A 32 GLY HA2 1.0 0.0 6.30 791 721 A 48 PHE HZ A 32 GLY HA2 1.0 0.0 6.30 792 722 A 33 LEU HB2 A 30 ASN HD22 1.0 0.0 6.30 793 722 A 33 LEU HB2 A 30 ASN HD21 1.0 0.0 6.30 794 723 A 48 PHE HE% A 33 LEU HB2 1.0 0.0 6.30 795 724 A 48 PHE HZ A 33 LEU HB2 1.0 0.0 6.30 796 725 A 30 ASN HA A 33 LEU HB2 1.0 0.0 4.98 797 726 A 48 PHE HE% A 33 LEU HB3 1.0 0.0 6.30 798 727 A 48 PHE HZ A 33 LEU HB3 1.0 0.0 6.30 799 728 A 30 ASN HA A 33 LEU HB3 1.0 0.0 4.98 800 729 A 33 LEU HB3 A 33 LEU HDx% 1.0 0.0 3.44 801 730 A 33 LEU HB2 A 33 LEU HDx% 1.0 0.0 3.64 802 731 A 33 LEU HA A 33 LEU HDx% 1.0 0.0 4.42 803 732 A 30 ASN HA A 33 LEU HDx% 1.0 0.0 3.97 804 733 A 48 PHE HE% A 33 LEU HDx% 1.0 0.0 4.65 805 734 A 48 PHE HZ A 33 LEU HDx% 1.0 0.0 5.19 806 735 A 34 GLU H A 33 LEU HDx% 1.0 0.0 5.45 807 736 A 33 LEU H A 33 LEU HDx% 1.0 0.0 4.25 808 737 A 33 LEU HB3 A 33 LEU HDy% 1.0 0.0 3.63 809 738 A 33 LEU HB2 A 33 LEU HDy% 1.0 0.0 4.04 810 739 A 33 LEU HDy% A 36 ASN HBy 1.0 0.0 5.33 811 740 A 33 LEU HA A 33 LEU HDy% 1.0 0.0 3.33 812 741 A 48 PHE HZ A 33 LEU HDy% 1.0 0.0 3.44 813 742 A 33 LEU HDy% A 29 TYR HD% 1.0 0.0 5.20 814 743 A 36 ASN HD21 A 33 LEU HDy% 1.0 0.0 5.55 815 744 A 34 GLU H A 33 LEU HDy% 1.0 0.0 5.75 816 745 A 33 LEU H A 33 LEU HDy% 1.0 0.0 4.57 817 746 A 30 ASN H A 33 LEU HDx% 1.0 0.0 5.83 818 747 A 36 ASN H A 33 LEU HDy% 1.0 0.0 6.15 819 748 A 38 MET HB3 A 35 LYS HA 1.0 0.0 5.19 820 749 A 31 ILE HG2% A 35 LYS HDy 1.0 0.0 6.15 821 750 A 65 ARG HA A 65 ARG HGx 1.0 0.0 4.23 822 751 A 31 ILE HG2% A 35 LYS HDx 1.0 0.0 6.15 823 752 A 5 ILE HG2% A 35 LYS HEy 1.0 0.0 5.49 824 753 A 5 ILE HG2% A 35 LYS HEx 1.0 0.0 5.49 825 754 A 44 ALA HB% A 36 ASN HBy 1.0 0.0 4.28 826 755 A 36 ASN H A 36 ASN HBy 1.0 0.0 3.97 827 756 A 37 LYS HA A 37 LYS HB2 1.0 0.0 3.10 828 756 A 37 LYS HB3 A 37 LYS HA 1.0 0.0 3.10 829 757 A 37 LYS HB3 A 37 LYS HE2 1.0 0.0 4.79 830 757 A 37 LYS HE3 A 37 LYS HB2 1.0 0.0 4.79 831 757 A 37 LYS HB3 A 37 LYS HE3 1.0 0.0 4.79 832 757 A 37 LYS HB2 A 37 LYS HE2 1.0 0.0 4.79 833 758 A 14 LYS H A 14 LYS HG2 1.0 0.0 5.13 834 758 A 14 LYS H A 14 LYS HG3 1.0 0.0 5.13 835 759 A 14 LYS HE3 A 14 LYS HG2 1.0 0.0 4.13 836 759 A 14 LYS HE2 A 14 LYS HG2 1.0 0.0 4.13 837 759 A 14 LYS HG3 A 14 LYS HE2 1.0 0.0 4.13 838 759 A 14 LYS HG3 A 14 LYS HE3 1.0 0.0 4.13 839 760 A 13 LYS HE3 A 13 LYS HG2 1.0 0.0 4.37 840 760 A 13 LYS HE2 A 13 LYS HG2 1.0 0.0 4.37 841 760 A 13 LYS HG3 A 13 LYS HE2 1.0 0.0 4.37 842 760 A 13 LYS HG3 A 13 LYS HE3 1.0 0.0 4.37 843 761 A 38 MET HB2 A 40 LYS H 1.0 0.0 5.64 844 762 A 5 ILE HD1% A 38 MET HE% 1.0 0.0 3.90 845 763 A 38 MET H A 38 MET HE% 1.0 0.0 5.73 846 764 A 37 LYS H A 38 MET HE% 1.0 0.0 6.30 847 765 A 40 LYS H A 38 MET HE% 1.0 0.0 6.30 848 766 A 2 ASP HA A 38 MET HE% 1.0 0.0 5.29 849 767 A 38 MET HE% A 38 MET HA 1.0 0.0 5.79 850 768 A 35 LYS HA A 38 MET HE% 1.0 0.0 4.44 851 769 A 38 MET HE% A 40 LYS HEy 1.0 0.0 4.85 852 770 A 38 MET HE% A 38 MET HGy 1.0 0.0 4.49 853 771 A 38 MET HE% A 38 MET HGx 1.0 0.0 4.49 854 772 A 39 GLY H A 38 MET HGy 1.0 0.0 6.30 855 773 A 39 GLY H A 38 MET HGx 1.0 0.0 6.30 856 774 A 13 LYS HD2 A 13 LYS HE2 1.0 0.0 3.07 857 774 A 13 LYS HD3 A 13 LYS HE2 1.0 0.0 3.07 858 774 A 13 LYS HE3 A 13 LYS HD2 1.0 0.0 3.07 859 774 A 13 LYS HE3 A 13 LYS HD3 1.0 0.0 3.07 860 775 A 40 LYS HG3 A 40 LYS HEx 1.0 0.0 4.21 861 775 A 40 LYS HEx A 40 LYS HG2 1.0 0.0 4.21 862 776 A 14 LYS HA A 14 LYS HE2 1.0 0.0 4.86 863 776 A 14 LYS HE3 A 14 LYS HA 1.0 0.0 4.86 864 777 A 13 LYS H A 13 LYS HE2 1.0 0.0 6.30 865 777 A 13 LYS H A 13 LYS HE3 1.0 0.0 6.30 866 778 A 14 LYS H A 14 LYS HE2 1.0 0.0 6.30 867 778 A 14 LYS H A 14 LYS HE3 1.0 0.0 6.30 868 779 A 38 MET HB3 A 40 LYS HG2 1.0 0.0 5.15 869 779 A 38 MET HB3 A 40 LYS HG3 1.0 0.0 5.15 870 780 A 41 ALA H A 40 LYS HG2 1.0 0.0 5.32 871 780 A 40 LYS HG3 A 41 ALA H 1.0 0.0 5.32 872 781 A 41 ALA HB% A 78 ILE HG1x 1.0 0.0 4.00 873 782 A 41 ALA HB% A 75 ILE HA 1.0 0.0 5.81 874 783 A 77 ALA HB% A 75 ILE HA 1.0 0.0 6.30 875 784 A 41 ALA HB% A 78 ILE HG1y 1.0 0.0 4.00 876 785 A 42 ARG HA A 42 ARG HDy 1.0 0.0 4.37 877 786 A 45 ALA H A 42 ARG HA 1.0 0.0 5.03 878 787 A 78 ILE HD1% A 42 ARG HDx 1.0 0.0 4.95 879 788 A 42 ARG HA A 42 ARG HDx 1.0 0.0 4.37 880 789 A 9 GLU HA A 9 GLU HGy 1.0 0.0 4.27 881 790 A 43 GLU H A 43 GLU HB2 1.0 0.0 3.81 882 790 A 43 GLU H A 43 GLU HB3 1.0 0.0 3.81 883 791 A 47 TYR HB2 A 44 ALA HA 1.0 0.0 5.30 884 792 A 44 ALA HA A 32 GLY HA3 1.0 0.0 4.82 885 793 A 32 GLY HA2 A 44 ALA HA 1.0 0.0 4.20 886 794 A 47 TYR HD% A 44 ALA HA 1.0 0.0 5.12 887 795 A 44 ALA HB% A 36 ASN HBx 1.0 0.0 4.28 888 796 A 32 GLY HA2 A 44 ALA HB% 1.0 0.0 4.66 889 797 A 44 ALA HB% A 41 ALA HA 1.0 0.0 3.48 890 798 A 36 ASN HA A 44 ALA HB% 1.0 0.0 4.02 891 799 A 48 PHE HD% A 44 ALA HB% 1.0 0.0 4.43 892 800 A 44 ALA HB% A 43 GLU H 1.0 0.0 5.09 893 801 A 36 ASN H A 44 ALA HB% 1.0 0.0 4.07 894 802 A 71 LEU HDy% A 45 ALA HA 1.0 0.0 4.05 895 803 A 45 ALA HA A 48 PHE HB2 1.0 0.0 4.53 896 804 A 71 LEU HDy% A 45 ALA HB% 1.0 0.0 3.50 897 805 A 75 ILE HD1% A 45 ALA HB% 1.0 0.0 3.72 898 806 A 45 ALA HB% A 48 PHE HB2 1.0 0.0 5.24 899 807 A 45 ALA HB% A 75 ILE HA 1.0 0.0 5.43 900 808 A 45 ALA HB% A 44 ALA HA 1.0 0.0 6.23 901 809 A 45 ALA HB% A 48 PHE HB3 1.0 0.0 6.30 902 810 A 48 PHE HD% A 45 ALA HB% 1.0 0.0 4.66 903 811 A 43 GLU H A 45 ALA HB% 1.0 0.0 6.01 904 812 A 74 ALA H A 45 ALA HB% 1.0 0.0 6.30 905 813 A 47 TYR H A 45 ALA HB% 1.0 0.0 6.02 906 814 A 46 GLU HA A 49 PHE HB2 1.0 0.0 4.59 907 815 A 46 GLU HA A 49 PHE HB3 1.0 0.0 4.36 908 816 A 49 PHE HD% A 46 GLU HA 1.0 0.0 5.33 909 817 A 46 GLU H A 46 GLU HGx 1.0 0.0 4.82 910 818 A 28 LEU HDy% A 47 TYR HA 1.0 0.0 5.21 911 819 A 50 ARG HB2 A 47 TYR HA 1.0 0.0 4.39 912 820 A 50 ARG HB3 A 47 TYR HA 1.0 0.0 4.88 913 821 A 47 TYR HA A 46 GLU HB2 1.0 0.0 4.90 914 821 A 46 GLU HB3 A 47 TYR HA 1.0 0.0 4.90 915 822 A 47 TYR HE% A 47 TYR HA 1.0 0.0 5.50 916 823 A 50 ARG H A 47 TYR HA 1.0 0.0 4.80 917 824 A 51 ALA H A 47 TYR HA 1.0 0.0 5.72 918 825 A 47 TYR HB2 A 31 ILE HG2% 1.0 0.0 5.83 919 826 A 44 ALA HA A 47 TYR HB3 1.0 0.0 5.60 920 827 A 32 GLY H A 47 TYR HB3 1.0 0.0 5.31 921 828 A 48 PHE H A 47 TYR HB3 1.0 0.0 5.54 922 829 A 48 PHE HB3 A 71 LEU HG 1.0 0.0 4.71 923 830 A 48 PHE HB3 A 71 LEU HB2 1.0 0.0 4.77 924 831 A 71 LEU HDx% A 49 PHE HA 1.0 0.0 4.17 925 832 A 49 PHE HB3 A 90 MET HB3 1.0 0.0 6.16 926 833 A 49 PHE HB2 A 90 MET HB2 1.0 0.0 6.18 927 834 A 28 LEU HDx% A 50 ARG HA 1.0 0.0 4.54 928 835 A 54 VAL HGy% A 50 ARG HA 1.0 0.0 4.89 929 836 A 53 ILE HB A 50 ARG HA 1.0 0.0 4.57 930 837 A 49 PHE HD% A 50 ARG HA 1.0 0.0 5.50 931 838 A 54 VAL H A 50 ARG HA 1.0 0.0 6.27 932 839 A 50 ARG HB2 A 51 ALA H 1.0 0.0 5.29 933 840 A 44 ALA H A 40 LYS HBy 1.0 0.0 4.81 934 841 A 47 TYR HA A 50 ARG HDy 1.0 0.0 5.12 935 842 A 28 LEU HDy% A 50 ARG HDy 1.0 0.0 6.04 936 843 A 28 LEU HDx% A 50 ARG HDx 1.0 0.0 5.47 937 844 A 28 LEU HDy% A 50 ARG HDx 1.0 0.0 6.04 938 845 A 47 TYR HA A 50 ARG HDx 1.0 0.0 5.12 939 846 A 25 GLY HA2 A 51 ALA HA 1.0 0.0 4.41 940 847 A 51 ALA HA A 55 PHE H 1.0 0.0 6.05 941 848 A 28 LEU HDx% A 51 ALA HB% 1.0 0.0 4.21 942 849 A 25 GLY HA3 A 51 ALA HB% 1.0 0.0 5.62 943 850 A 29 TYR HB2 A 51 ALA HB% 1.0 0.0 3.89 944 851 A 29 TYR HB3 A 51 ALA HB% 1.0 0.0 4.66 945 852 A 51 ALA HB% A 29 TYR HD% 1.0 0.0 4.02 946 853 A 51 ALA HB% A 52 ALA H 1.0 0.0 3.64 947 854 A 51 ALA HB% A 48 PHE H 1.0 0.0 5.67 948 855 A 51 ALA HB% A 55 PHE H 1.0 0.0 6.08 949 856 A 52 ALA HA A 64 LEU HDx% 1.0 0.0 4.09 950 857 A 71 LEU HDx% A 52 ALA HB% 1.0 0.0 4.07 951 858 A 52 ALA HB% A 64 LEU HDx% 1.0 0.0 3.22 952 859 A 52 ALA HB% A 55 PHE HB2 1.0 0.0 5.88 953 860 A 53 ILE HA A 52 ALA HB% 1.0 0.0 5.00 954 861 A 52 ALA HB% A 94 ALA HA 1.0 0.0 4.65 955 862 A 49 PHE HA A 52 ALA HB% 1.0 0.0 3.82 956 863 A 49 PHE HD% A 52 ALA HB% 1.0 0.0 4.38 957 864 A 51 ALA H A 52 ALA HB% 1.0 0.0 4.97 958 865 A 52 ALA HB% A 68 ALA H 1.0 0.0 5.10 959 866 A 53 ILE HA A 53 ILE HG13 1.0 0.0 4.30 960 867 A 53 ILE HA A 56 TYR HB3 1.0 0.0 4.61 961 868 A 53 ILE HA A 56 TYR H 1.0 0.0 5.25 962 869 A 50 ARG H A 53 ILE HD1% 1.0 0.0 5.71 963 870 A 53 ILE H A 53 ILE HD1% 1.0 0.0 4.33 964 871 A 53 ILE HD1% A 49 PHE HE% 1.0 0.0 3.93 965 872 A 49 PHE HD% A 53 ILE HD1% 1.0 0.0 4.23 966 873 A 50 ARG HA A 53 ILE HD1% 1.0 0.0 3.74 967 874 A 53 ILE HA A 53 ILE HD1% 1.0 0.0 4.51 968 875 A 50 ARG HB3 A 53 ILE HD1% 1.0 0.0 5.38 969 876 A 53 ILE HB A 53 ILE HD1% 1.0 0.0 3.60 970 877 A 53 ILE HG13 A 49 PHE HE% 1.0 0.0 6.15 971 878 A 53 ILE HG12 A 49 PHE HE% 1.0 0.0 6.15 972 879 A 53 ILE HG12 A 49 PHE HZ 1.0 0.0 6.30 973 880 A 49 PHE HD% A 53 ILE HG12 1.0 0.0 6.30 974 881 A 54 VAL H A 53 ILE HG12 1.0 0.0 6.30 975 882 A 49 PHE HD% A 53 ILE HG13 1.0 0.0 6.30 976 883 A 53 ILE HG12 A 50 ARG HA 1.0 0.0 6.25 977 884 A 53 ILE HG2% A 57 LYS HE2 1.0 0.0 4.64 978 884 A 53 ILE HG2% A 57 LYS HE3 1.0 0.0 4.64 979 885 A 53 ILE HA A 53 ILE HG2% 1.0 0.0 3.70 980 886 A 53 ILE HG2% A 54 VAL HA 1.0 0.0 4.39 981 887 A 53 ILE HG2% A 50 ARG HA 1.0 0.0 4.88 982 888 A 53 ILE HG2% A 56 TYR HD% 1.0 0.0 4.95 983 889 A 53 ILE HG2% A 97 TRP HH2 1.0 0.0 5.16 984 890 A 53 ILE HG2% A 49 PHE HE% 1.0 0.0 5.53 985 891 A 55 PHE H A 53 ILE HG2% 1.0 0.0 6.16 986 892 A 54 VAL HA A 57 LYS HB2 1.0 0.0 4.51 987 892 A 54 VAL HA A 57 LYS HB3 1.0 0.0 4.51 988 893 A 54 VAL HA A 57 LYS H 1.0 0.0 4.96 989 894 A 51 ALA HA A 54 VAL HB 1.0 0.0 4.60 990 895 A 54 VAL H A 54 VAL HB 1.0 0.0 3.89 991 896 A 25 GLY HA2 A 54 VAL HB 1.0 0.0 5.04 992 897 A 25 GLY HA3 A 54 VAL HB 1.0 0.0 4.97 993 898 A 25 GLY H A 54 VAL HGx% 1.0 0.0 4.34 994 899 A 24 MET H A 54 VAL HGx% 1.0 0.0 5.78 995 900 A 54 VAL H A 54 VAL HGx% 1.0 0.0 4.37 996 901 A 55 PHE HA A 54 VAL HGx% 1.0 0.0 5.27 997 902 A 54 VAL HA A 54 VAL HGx% 1.0 0.0 3.75 998 903 A 25 GLY HA2 A 54 VAL HGx% 1.0 0.0 4.38 999 904 A 25 GLY HA3 A 54 VAL HGx% 1.0 0.0 4.18 1000 905 A 54 VAL H A 54 VAL HGy% 1.0 0.0 3.51 1001 906 A 51 ALA HA A 54 VAL HGy% 1.0 0.0 4.56 1002 907 A 54 VAL HGy% A 54 VAL HA 1.0 0.0 3.60 1003 908 A 25 GLY HA2 A 54 VAL HGy% 1.0 0.0 5.01 1004 909 A 25 GLY HA3 A 54 VAL HGy% 1.0 0.0 5.70 1005 910 A 55 PHE HA A 58 GLU H 1.0 0.0 5.12 1006 911 A 55 PHE HB3 A 60 ASP HB2 1.0 0.0 4.97 1007 912 A 55 PHE HB3 A 64 LEU HA 1.0 0.0 4.98 1008 913 A 55 PHE HB2 A 64 LEU HB2 1.0 0.0 5.19 1009 914 A 52 ALA HA A 55 PHE HB2 1.0 0.0 4.38 1010 915 A 55 PHE HB2 A 64 LEU HA 1.0 0.0 4.57 1011 916 A 56 TYR HB3 A 97 TRP HE3 1.0 0.0 5.61 1012 917 A 57 LYS HA A 57 LYS HD2 1.0 0.0 4.71 1013 917 A 57 LYS HA A 57 LYS HD3 1.0 0.0 4.71 1014 918 A 57 LYS HA A 56 TYR HD% 1.0 0.0 5.88 1015 919 A 54 VAL HA A 57 LYS HD2 1.0 0.0 5.25 1016 919 A 54 VAL HA A 57 LYS HD3 1.0 0.0 5.25 1017 920 A 57 LYS HB2 A 57 LYS HE2 1.0 0.0 4.98 1018 920 A 57 LYS HB3 A 57 LYS HE2 1.0 0.0 4.98 1019 920 A 57 LYS HE3 A 57 LYS HB2 1.0 0.0 4.98 1020 920 A 57 LYS HB3 A 57 LYS HE3 1.0 0.0 4.98 1021 921 A 54 VAL HA A 57 LYS HE2 1.0 0.0 6.23 1022 921 A 54 VAL HA A 57 LYS HE3 1.0 0.0 6.23 1023 922 A 57 LYS HA A 57 LYS HE2 1.0 0.0 6.30 1024 922 A 57 LYS HA A 57 LYS HE3 1.0 0.0 6.30 1025 923 A 56 TYR HD% A 57 LYS HE2 1.0 0.0 5.94 1026 923 A 56 TYR HD% A 57 LYS HE3 1.0 0.0 5.94 1027 924 A 53 ILE HG2% A 57 LYS HGx 1.0 0.0 5.34 1028 925 A 53 ILE HG2% A 57 LYS HGy 1.0 0.0 5.34 1029 926 A 55 PHE HA A 58 GLU HBy 1.0 0.0 5.44 1030 927 A 55 PHE HA A 58 GLU HBx 1.0 0.0 5.44 1031 928 A 55 PHE HB3 A 60 ASP HB3 1.0 0.0 5.25 1032 929 A 55 PHE HA A 60 ASP HB2 1.0 0.0 5.03 1033 930 A 55 PHE HA A 60 ASP HB3 1.0 0.0 5.16 1034 931 A 55 PHE HD% A 60 ASP HB3 1.0 0.0 4.82 1035 932 A 60 ASP HB3 A 63 GLY H 1.0 0.0 6.30 1036 933 A 61 THR HA A 64 LEU HB2 1.0 0.0 4.43 1037 934 A 64 LEU HB3 A 61 THR HA 1.0 0.0 4.03 1038 935 A 61 THR HA A 64 LEU H 1.0 0.0 4.78 1039 936 A 61 THR HA A 65 ARG H 1.0 0.0 5.43 1040 937 A 98 LEU HDx% A 61 THR HB 1.0 0.0 4.98 1041 938 A 98 LEU HDx% A 61 THR HG2% 1.0 0.0 3.43 1042 939 A 61 THR HG2% A 64 LEU HG 1.0 0.0 5.73 1043 940 A 61 THR HG2% A 65 ARG HB2 1.0 0.0 4.82 1044 940 A 61 THR HG2% A 65 ARG HB3 1.0 0.0 4.82 1045 941 A 61 THR HG2% A 101 GLU HBy 1.0 0.0 4.37 1046 942 A 61 THR HG2% A 101 GLU HGx 1.0 0.0 5.04 1047 943 A 61 THR HG2% A 101 GLU HGy 1.0 0.0 5.04 1048 944 A 61 THR HG2% A 61 THR HA 1.0 0.0 3.60 1049 945 A 61 THR HG2% A 101 GLU HA 1.0 0.0 5.23 1050 946 A 61 THR HG2% A 65 ARG H 1.0 0.0 5.69 1051 947 A 61 THR H A 61 THR HG2% 1.0 0.0 4.35 1052 948 A 56 TYR HD% A 61 THR HG2% 1.0 0.0 6.15 1053 949 A 62 ASP HA A 65 ARG HB2 1.0 0.0 4.03 1054 949 A 62 ASP HA A 65 ARG HB3 1.0 0.0 4.03 1055 950 A 61 THR HG2% A 62 ASP HA 1.0 0.0 5.73 1056 951 A 63 GLY HA2 A 55 PHE HE% 1.0 0.0 5.83 1057 952 A 63 GLY HA3 A 55 PHE HE% 1.0 0.0 5.66 1058 953 A 55 PHE HD% A 63 GLY HA3 1.0 0.0 5.57 1059 954 A 67 ALA H A 64 LEU HA 1.0 0.0 5.55 1060 955 A 55 PHE HD% A 64 LEU HA 1.0 0.0 4.21 1061 956 A 64 LEU HB3 A 65 ARG H 1.0 0.0 4.95 1062 957 A 65 ARG H A 64 LEU HB2 1.0 0.0 5.44 1063 958 A 55 PHE HB3 A 64 LEU HB2 1.0 0.0 4.57 1064 959 A 65 ARG H A 64 LEU HDx% 1.0 0.0 5.35 1065 960 A 64 LEU HDy% A 98 LEU H 1.0 0.0 4.53 1066 961 A 64 LEU HDy% A 64 LEU HB3 1.0 0.0 4.07 1067 962 A 64 LEU HDy% A 97 TRP HB3 1.0 0.0 4.55 1068 963 A 64 LEU HDy% A 56 TYR HB3 1.0 0.0 5.51 1069 964 A 97 TRP HB3 A 64 LEU HDx% 1.0 0.0 4.91 1070 965 A 64 LEU HDy% A 64 LEU HB2 1.0 0.0 3.76 1071 966 A 55 PHE HB2 A 64 LEU HDx% 1.0 0.0 5.00 1072 967 A 56 TYR HB2 A 64 LEU HDx% 1.0 0.0 4.46 1073 968 A 97 TRP HB2 A 64 LEU HDx% 1.0 0.0 4.65 1074 969 A 55 PHE HB3 A 64 LEU HDx% 1.0 0.0 4.56 1075 970 A 64 LEU HDx% A 94 ALA HA 1.0 0.0 5.09 1076 971 A 64 LEU HDx% A 64 LEU HA 1.0 0.0 3.39 1077 972 A 56 TYR HA A 64 LEU HDx% 1.0 0.0 4.86 1078 973 A 64 LEU HDy% A 56 TYR HB2 1.0 0.0 4.63 1079 974 A 97 TRP HB2 A 64 LEU HDy% 1.0 0.0 4.53 1080 975 A 64 LEU HDy% A 61 THR HA 1.0 0.0 4.59 1081 976 A 64 LEU HDy% A 98 LEU HA 1.0 0.0 3.76 1082 977 A 64 LEU HDy% A 56 TYR HA 1.0 0.0 4.30 1083 978 A 68 ALA H A 65 ARG HA 1.0 0.0 5.32 1084 979 A 98 LEU HDx% A 65 ARG HA 1.0 0.0 3.60 1085 980 A 48 PHE HB2 A 71 LEU HG 1.0 0.0 4.34 1086 981 A 29 TYR HE% A 66 ARG HB2 1.0 0.0 5.60 1087 981 A 66 ARG HB3 A 29 TYR HE% 1.0 0.0 5.60 1088 982 A 63 GLY HA2 A 66 ARG HB2 1.0 0.0 4.59 1089 982 A 63 GLY HA2 A 66 ARG HB3 1.0 0.0 4.59 1090 983 A 66 ARG HDx A 66 ARG HB2 1.0 0.0 3.94 1091 983 A 66 ARG HB3 A 66 ARG HDx 1.0 0.0 3.94 1092 984 A 66 ARG HA A 66 ARG HDx 1.0 0.0 5.54 1093 985 A 29 TYR HE% A 66 ARG HDx 1.0 0.0 5.74 1094 986 A 66 ARG HB2 A 66 ARG HDy 1.0 0.0 3.94 1095 986 A 66 ARG HB3 A 66 ARG HDy 1.0 0.0 3.94 1096 987 A 29 TYR HE% A 66 ARG HDy 1.0 0.0 5.74 1097 988 A 66 ARG H A 65 ARG HGx 1.0 0.0 5.95 1098 989 A 48 PHE HD% A 67 ALA HA 1.0 0.0 5.64 1099 990 A 67 ALA HB% A 71 LEU H 1.0 0.0 5.82 1100 991 A 67 ALA HB% A 55 PHE HD% 1.0 0.0 4.05 1101 992 A 67 ALA HB% A 29 TYR HD% 1.0 0.0 4.06 1102 993 A 67 ALA HB% A 66 ARG H 1.0 0.0 5.57 1103 994 A 53 ILE H A 67 ALA HB% 1.0 0.0 5.89 1104 995 A 67 ALA HB% A 64 LEU H 1.0 0.0 6.16 1105 996 A 71 LEU HDx% A 67 ALA HB% 1.0 0.0 4.91 1106 997 A 67 ALA HB% A 55 PHE HB2 1.0 0.0 5.61 1107 998 A 29 TYR HB2 A 67 ALA HB% 1.0 0.0 5.38 1108 999 A 48 PHE HB3 A 67 ALA HB% 1.0 0.0 5.21 1109 1000 A 67 ALA HB% A 55 PHE HB3 1.0 0.0 5.67 1110 1001 A 49 PHE HA A 67 ALA HB% 1.0 0.0 5.80 1111 1002 A 94 ALA HB% A 68 ALA HA 1.0 0.0 4.05 1112 1003 A 71 LEU HB3 A 68 ALA HA 1.0 0.0 4.05 1113 1004 A 71 LEU HB2 A 68 ALA HA 1.0 0.0 4.25 1114 1005 A 68 ALA HB% A 97 TRP HE3 1.0 0.0 6.30 1115 1006 A 69 LYS HA A 69 LYS HB2 1.0 0.0 3.07 1116 1006 A 69 LYS HB3 A 69 LYS HA 1.0 0.0 3.07 1117 1007 A 48 PHE HD% A 70 SER HBy 1.0 0.0 5.52 1118 1008 A 48 PHE HD% A 70 SER HBx 1.0 0.0 5.52 1119 1009 A 48 PHE HB3 A 71 LEU HA 1.0 0.0 4.89 1120 1010 A 74 ALA HB% A 71 LEU HA 1.0 0.0 3.63 1121 1011 A 37 LYS HA A 37 LYS HE2 1.0 0.0 6.30 1122 1011 A 37 LYS HA A 37 LYS HE3 1.0 0.0 6.30 1123 1012 A 48 PHE HB3 A 71 LEU HB3 1.0 0.0 5.43 1124 1013 A 72 LYS H A 71 LEU HB2 1.0 0.0 4.91 1125 1014 A 71 LEU HDy% A 49 PHE H 1.0 0.0 4.62 1126 1015 A 71 LEU HDy% A 71 LEU H 1.0 0.0 5.06 1127 1016 A 71 LEU HDy% A 91 ALA H 1.0 0.0 5.26 1128 1017 A 71 LEU HDy% A 75 ILE H 1.0 0.0 6.30 1129 1018 A 71 LEU HDy% A 93 LYS H 1.0 0.0 6.30 1130 1019 A 71 LEU HDy% A 49 PHE HD% 1.0 0.0 4.27 1131 1020 A 48 PHE HD% A 71 LEU HDy% 1.0 0.0 4.88 1132 1021 A 71 LEU HDx% A 94 ALA H 1.0 0.0 6.18 1133 1022 A 71 LEU HDy% A 71 LEU HB3 1.0 0.0 3.85 1134 1023 A 71 LEU HDy% A 71 LEU HB2 1.0 0.0 3.97 1135 1024 A 71 LEU HDy% A 48 PHE HB2 1.0 0.0 4.61 1136 1025 A 71 LEU HDy% A 49 PHE HB3 1.0 0.0 4.45 1137 1026 A 71 LEU HDy% A 49 PHE HB2 1.0 0.0 4.34 1138 1027 A 71 LEU HDy% A 48 PHE HB3 1.0 0.0 4.65 1139 1028 A 71 LEU HDy% A 91 ALA HA 1.0 0.0 3.78 1140 1029 A 71 LEU HDy% A 71 LEU HA 1.0 0.0 4.39 1141 1030 A 71 LEU HDy% A 49 PHE HA 1.0 0.0 4.40 1142 1031 A 71 LEU HDx% A 71 LEU HA 1.0 0.0 3.66 1143 1032 A 71 LEU HDx% A 68 ALA HA 1.0 0.0 3.91 1144 1033 A 71 LEU HDx% A 48 PHE HB3 1.0 0.0 4.75 1145 1034 A 71 LEU HDx% A 49 PHE HB2 1.0 0.0 4.53 1146 1035 A 71 LEU HDx% A 49 PHE HB3 1.0 0.0 4.71 1147 1036 A 48 PHE HB2 A 71 LEU HDx% 1.0 0.0 4.68 1148 1037 A 71 LEU HDx% A 71 LEU HB2 1.0 0.0 3.84 1149 1038 A 71 LEU H A 71 LEU HG 1.0 0.0 4.86 1150 1039 A 75 ILE H A 72 LYS HA 1.0 0.0 4.90 1151 1040 A 72 LYS HA A 72 LYS HE2 1.0 0.0 6.24 1152 1040 A 72 LYS HE3 A 72 LYS HA 1.0 0.0 6.24 1153 1041 A 72 LYS H A 72 LYS HD2 1.0 0.0 5.10 1154 1041 A 72 LYS H A 72 LYS HD3 1.0 0.0 5.10 1155 1042 A 75 ILE HG2% A 88 LYS HBy 1.0 0.0 4.92 1156 1043 A 73 GLU HA A 73 GLU HGy 1.0 0.0 4.23 1157 1044 A 74 ALA HA A 77 ALA HB% 1.0 0.0 3.72 1158 1045 A 71 LEU HDy% A 74 ALA HB% 1.0 0.0 4.22 1159 1046 A 74 ALA HB% A 45 ALA HA 1.0 0.0 4.05 1160 1047 A 48 PHE HD% A 74 ALA HB% 1.0 0.0 3.87 1161 1048 A 74 ALA HB% A 75 ILE H 1.0 0.0 4.13 1162 1049 A 74 ALA H A 75 ILE HA 1.0 0.0 5.92 1163 1050 A 78 ILE HB A 75 ILE HA 1.0 0.0 4.81 1164 1051 A 75 ILE HA A 87 ALA HB% 1.0 0.0 4.60 1165 1052 A 75 ILE HD1% A 75 ILE HA 1.0 0.0 4.20 1166 1053 A 75 ILE HG2% A 75 ILE HA 1.0 0.0 3.66 1167 1054 A 75 ILE HB A 72 LYS HA 1.0 0.0 5.00 1168 1055 A 75 ILE HD1% A 72 LYS HA 1.0 0.0 3.75 1169 1056 A 75 ILE HD1% A 88 LYS HA 1.0 0.0 3.89 1170 1057 A 75 ILE HD1% A 88 LYS H 1.0 0.0 5.25 1171 1058 A 75 ILE HD1% A 91 ALA H 1.0 0.0 5.32 1172 1059 A 75 ILE HD1% A 72 LYS H 1.0 0.0 6.00 1173 1060 A 75 ILE HD1% A 76 THR H 1.0 0.0 5.58 1174 1061 A 75 ILE HD1% A 75 ILE HB 1.0 0.0 3.52 1175 1062 A 75 ILE HD1% A 91 ALA HB% 1.0 0.0 3.34 1176 1063 A 75 ILE HG2% A 75 ILE H 1.0 0.0 4.36 1177 1064 A 8 PHE HD% A 5 ILE HG2% 1.0 0.0 4.77 1178 1065 A 75 ILE HG2% A 76 THR HA 1.0 0.0 4.45 1179 1066 A 75 ILE HB A 76 THR HA 1.0 0.0 5.26 1180 1067 A 75 ILE HA A 76 THR HA 1.0 0.0 5.26 1181 1068 A 76 THR H A 76 THR HB 1.0 0.0 4.15 1182 1069 A 77 ALA H A 76 THR HB 1.0 0.0 4.58 1183 1070 A 76 THR H A 76 THR HG2% 1.0 0.0 3.77 1184 1071 A 77 ALA H A 76 THR HG2% 1.0 0.0 4.77 1185 1072 A 76 THR HA A 76 THR HG2% 1.0 0.0 3.53 1186 1073 A 75 ILE HB A 76 THR HG2% 1.0 0.0 4.66 1187 1074 A 76 THR H A 77 ALA HB% 1.0 0.0 5.22 1188 1075 A 40 LYS H A 41 ALA HB% 1.0 0.0 6.04 1189 1076 A 74 ALA H A 77 ALA HB% 1.0 0.0 6.30 1190 1077 A 41 ALA HB% A 78 ILE HA 1.0 0.0 4.57 1191 1078 A 45 ALA H A 78 ILE HD1% 1.0 0.0 5.40 1192 1079 A 78 ILE HD1% A 87 ALA H 1.0 0.0 5.49 1193 1080 A 78 ILE HD1% A 78 ILE HA 1.0 0.0 4.29 1194 1081 A 78 ILE HD1% A 42 ARG HA 1.0 0.0 3.70 1195 1082 A 78 ILE HD1% A 75 ILE HA 1.0 0.0 3.75 1196 1083 A 78 ILE HG2% A 78 ILE HD1% 1.0 0.0 3.37 1197 1084 A 45 ALA HB% A 78 ILE HD1% 1.0 0.0 3.71 1198 1085 A 78 ILE HD1% A 87 ALA HB% 1.0 0.0 3.40 1199 1086 A 78 ILE HD1% A 78 ILE HB 1.0 0.0 3.49 1200 1087 A 78 ILE HG2% A 87 ALA H 1.0 0.0 5.73 1201 1088 A 78 ILE HG2% A 83 GLY H 1.0 0.0 5.75 1202 1089 A 78 ILE HG2% A 78 ILE HA 1.0 0.0 3.93 1203 1090 A 78 ILE HG2% A 42 ARG HA 1.0 0.0 4.68 1204 1091 A 78 ILE HG2% A 83 GLY HA2 1.0 0.0 4.84 1205 1091 A 78 ILE HG2% A 83 GLY HA3 1.0 0.0 4.84 1206 1092 A 78 ILE HG2% A 42 ARG HDx 1.0 0.0 5.24 1207 1093 A 75 ILE HA A 78 ILE HG1x 1.0 0.0 5.96 1208 1094 A 75 ILE HA A 78 ILE HG1y 1.0 0.0 5.96 1209 1095 A 26 ARG HA A 26 ARG HGy 1.0 0.0 4.27 1210 1096 A 75 ILE HG2% A 84 ARG HDx 1.0 0.0 4.85 1211 1097 A 75 ILE HG2% A 84 ARG HDy 1.0 0.0 4.85 1212 1098 A 66 ARG HA A 66 ARG HDy 1.0 0.0 5.54 1213 1099 A 87 ALA HA A 90 MET HA 1.0 0.0 6.30 1214 1100 A 90 MET HB2 A 87 ALA HA 1.0 0.0 4.18 1215 1101 A 71 LEU HDy% A 87 ALA HA 1.0 0.0 4.96 1216 1102 A 75 ILE HD1% A 87 ALA HA 1.0 0.0 5.65 1217 1103 A 87 ALA H A 87 ALA HB% 1.0 0.0 3.71 1218 1104 A 90 MET H A 87 ALA HB% 1.0 0.0 6.29 1219 1105 A 46 GLU H A 87 ALA HB% 1.0 0.0 5.58 1220 1106 A 88 LYS HA A 87 ALA HB% 1.0 0.0 4.14 1221 1107 A 75 ILE HD1% A 87 ALA HB% 1.0 0.0 4.67 1222 1108 A 91 ALA HB% A 88 LYS HA 1.0 0.0 3.34 1223 1109 A 88 LYS HA A 88 LYS HGy 1.0 0.0 4.22 1224 1110 A 88 LYS H A 88 LYS HBx 1.0 0.0 4.26 1225 1111 A 88 LYS H A 88 LYS HBy 1.0 0.0 4.26 1226 1112 A 71 LEU H A 69 LYS HB2 1.0 0.0 5.75 1227 1112 A 69 LYS HB3 A 71 LEU H 1.0 0.0 5.75 1228 1113 A 71 LEU H A 72 LYS HB2 1.0 0.0 6.11 1229 1113 A 71 LEU H A 72 LYS HB3 1.0 0.0 6.11 1230 1114 A 14 LYS H A 13 LYS HB2 1.0 0.0 4.71 1231 1114 A 13 LYS HB3 A 14 LYS H 1.0 0.0 4.71 1232 1115 A 89 GLU H A 88 LYS HBx 1.0 0.0 4.71 1233 1116 A 69 LYS HB2 A 69 LYS HE2 1.0 0.0 4.86 1234 1116 A 69 LYS HB3 A 69 LYS HE2 1.0 0.0 4.86 1235 1116 A 69 LYS HE3 A 69 LYS HB2 1.0 0.0 4.86 1236 1116 A 69 LYS HB3 A 69 LYS HE3 1.0 0.0 4.86 1237 1117 A 72 LYS HB2 A 72 LYS HE2 1.0 0.0 5.21 1238 1117 A 72 LYS HE3 A 72 LYS HB2 1.0 0.0 5.21 1239 1117 A 72 LYS HB3 A 72 LYS HE3 1.0 0.0 5.21 1240 1117 A 72 LYS HB3 A 72 LYS HE2 1.0 0.0 5.21 1241 1118 A 88 LYS H A 88 LYS HD2 1.0 0.0 4.74 1242 1118 A 88 LYS H A 88 LYS HD3 1.0 0.0 4.74 1243 1119 A 89 GLU H A 88 LYS HD2 1.0 0.0 5.42 1244 1119 A 89 GLU H A 88 LYS HD3 1.0 0.0 5.42 1245 1120 A 88 LYS HA A 88 LYS HD2 1.0 0.0 3.72 1246 1120 A 88 LYS HA A 88 LYS HD3 1.0 0.0 3.72 1247 1121 A 75 ILE HG2% A 88 LYS HD2 1.0 0.0 3.92 1248 1121 A 75 ILE HG2% A 88 LYS HD3 1.0 0.0 3.92 1249 1122 A 88 LYS HA A 88 LYS HGx 1.0 0.0 4.22 1250 1123 A 89 GLU H A 89 GLU HGy 1.0 0.0 4.67 1251 1124 A 90 MET HA A 93 LYS H 1.0 0.0 4.92 1252 1125 A 90 MET HG3 A 90 MET HA 1.0 0.0 4.26 1253 1126 A 90 MET HA A 90 MET HE% 1.0 0.0 5.72 1254 1127 A 90 MET HA A 92 LYS HB2 1.0 0.0 6.18 1255 1127 A 90 MET HA A 92 LYS HB3 1.0 0.0 6.18 1256 1128 A 90 MET HA A 93 LYS HB2 1.0 0.0 4.49 1257 1129 A 90 MET HG2 A 90 MET HA 1.0 0.0 4.05 1258 1130 A 93 LYS HB3 A 90 MET HA 1.0 0.0 5.04 1259 1131 A 91 ALA H A 90 MET HB3 1.0 0.0 5.70 1260 1132 A 49 PHE HD% A 90 MET HB2 1.0 0.0 5.80 1261 1133 A 71 LEU HDy% A 90 MET HB3 1.0 0.0 4.81 1262 1134 A 49 PHE HB2 A 90 MET HB3 1.0 0.0 5.51 1263 1135 A 87 ALA HA A 90 MET HB3 1.0 0.0 5.46 1264 1136 A 49 PHE H A 90 MET HE% 1.0 0.0 5.00 1265 1137 A 87 ALA H A 90 MET HE% 1.0 0.0 4.81 1266 1138 A 91 ALA H A 90 MET HE% 1.0 0.0 5.54 1267 1139 A 49 PHE HD% A 90 MET HE% 1.0 0.0 4.05 1268 1140 A 46 GLU H A 90 MET HE% 1.0 0.0 4.62 1269 1141 A 90 MET H A 90 MET HE% 1.0 0.0 4.43 1270 1142 A 47 TYR H A 90 MET HE% 1.0 0.0 5.66 1271 1143 A 49 PHE HA A 90 MET HE% 1.0 0.0 5.16 1272 1144 A 87 ALA HA A 90 MET HE% 1.0 0.0 3.34 1273 1145 A 46 GLU HA A 90 MET HE% 1.0 0.0 3.50 1274 1146 A 49 PHE HB2 A 90 MET HE% 1.0 0.0 4.19 1275 1147 A 49 PHE HB3 A 90 MET HE% 1.0 0.0 3.91 1276 1148 A 78 ILE HD1% A 90 MET HE% 1.0 0.0 4.53 1277 1149 A 90 MET HG2 A 90 MET HE% 1.0 0.0 3.64 1278 1150 A 71 LEU HDy% A 90 MET HE% 1.0 0.0 3.71 1279 1151 A 90 MET HG3 A 90 MET HE% 1.0 0.0 3.95 1280 1152 A 49 PHE HD% A 90 MET HG3 1.0 0.0 6.12 1281 1153 A 90 MET HG2 A 49 PHE HE% 1.0 0.0 6.03 1282 1154 A 49 PHE HD% A 90 MET HG2 1.0 0.0 5.62 1283 1155 A 90 MET HG2 A 87 ALA HA 1.0 0.0 5.80 1284 1156 A 90 MET HG3 A 87 ALA HA 1.0 0.0 5.62 1285 1157 A 94 ALA H A 91 ALA HA 1.0 0.0 5.00 1286 1158 A 71 LEU HB3 A 91 ALA HA 1.0 0.0 4.37 1287 1159 A 75 ILE HD1% A 91 ALA HA 1.0 0.0 5.39 1288 1160 A 64 LEU HDy% A 68 ALA HB% 1.0 0.0 5.24 1289 1161 A 71 LEU HDx% A 68 ALA HB% 1.0 0.0 5.67 1290 1162 A 91 ALA H A 91 ALA HB% 1.0 0.0 3.66 1291 1163 A 92 LYS HA A 92 LYS HE2 1.0 0.0 5.66 1292 1163 A 92 LYS HA A 92 LYS HE3 1.0 0.0 5.66 1293 1164 A 92 LYS HB2 A 92 LYS HE2 1.0 0.0 4.87 1294 1164 A 92 LYS HB3 A 92 LYS HE2 1.0 0.0 4.87 1295 1164 A 92 LYS HE3 A 92 LYS HB2 1.0 0.0 4.87 1296 1164 A 92 LYS HB3 A 92 LYS HE3 1.0 0.0 4.87 1297 1165 A 92 LYS H A 92 LYS HE2 1.0 0.0 6.30 1298 1165 A 92 LYS H A 92 LYS HE3 1.0 0.0 6.30 1299 1166 A 49 PHE HZ A 93 LYS HE2 1.0 0.0 5.23 1300 1166 A 93 LYS HE3 A 49 PHE HZ 1.0 0.0 5.23 1301 1167 A 57 LYS H A 57 LYS HGx 1.0 0.0 5.04 1302 1168 A 92 LYS H A 92 LYS HGx 1.0 0.0 5.50 1303 1169 A 92 LYS H A 92 LYS HGy 1.0 0.0 5.50 1304 1170 A 93 LYS HA A 93 LYS HGx 1.0 0.0 4.35 1305 1171 A 93 LYS HA A 93 LYS HGy 1.0 0.0 4.35 1306 1172 A 93 LYS HA A 93 LYS HDy 1.0 0.0 4.90 1307 1173 A 93 LYS HA A 96 GLU HBx 1.0 0.0 4.76 1308 1174 A 93 LYS HA A 96 GLU HBy 1.0 0.0 4.76 1309 1175 A 93 LYS HA A 96 GLU HGx 1.0 0.0 5.42 1310 1176 A 93 LYS HA A 96 GLU HGy 1.0 0.0 5.42 1311 1177 A 93 LYS HA A 93 LYS HE2 1.0 0.0 5.43 1312 1177 A 93 LYS HA A 93 LYS HE3 1.0 0.0 5.43 1313 1178 A 93 LYS HA A 97 TRP H 1.0 0.0 5.54 1314 1179 A 93 LYS HB2 A 93 LYS HE2 1.0 0.0 5.35 1315 1179 A 93 LYS HE3 A 93 LYS HB2 1.0 0.0 5.35 1316 1180 A 93 LYS HB3 A 93 LYS HE2 1.0 0.0 5.58 1317 1180 A 93 LYS HB3 A 93 LYS HE3 1.0 0.0 5.58 1318 1181 A 93 LYS HA A 93 LYS HDx 1.0 0.0 4.90 1319 1182 A 49 PHE HE% A 93 LYS HGx 1.0 0.0 5.60 1320 1183 A 49 PHE HE% A 93 LYS HGy 1.0 0.0 5.60 1321 1184 A 94 ALA H A 93 LYS HGx 1.0 0.0 6.30 1322 1185 A 94 ALA H A 93 LYS HGy 1.0 0.0 6.30 1323 1186 A 64 LEU HDy% A 94 ALA HA 1.0 0.0 4.95 1324 1187 A 97 TRP HB2 A 94 ALA HA 1.0 0.0 4.39 1325 1188 A 97 TRP H A 94 ALA HA 1.0 0.0 4.85 1326 1189 A 94 ALA HB% A 97 TRP HZ3 1.0 0.0 5.49 1327 1190 A 94 ALA HB% A 97 TRP HE3 1.0 0.0 4.70 1328 1191 A 94 ALA HB% A 49 PHE HD% 1.0 0.0 4.68 1329 1192 A 94 ALA HB% A 68 ALA H 1.0 0.0 5.43 1330 1193 A 94 ALA HB% A 49 PHE HA 1.0 0.0 5.63 1331 1194 A 94 ALA HB% A 97 TRP HB2 1.0 0.0 5.46 1332 1195 A 94 ALA HB% A 71 LEU HDx% 1.0 0.0 3.45 1333 1196 A 95 GLU HA A 98 LEU HBx 1.0 0.0 4.29 1334 1197 A 70 SER HA A 73 GLU HB2 1.0 0.0 3.93 1335 1197 A 73 GLU HB3 A 70 SER HA 1.0 0.0 3.93 1336 1198 A 95 GLU H A 95 GLU HGy 1.0 0.0 4.57 1337 1199 A 95 GLU H A 95 GLU HGx 1.0 0.0 4.57 1338 1200 A 95 GLU HA A 95 GLU HGy 1.0 0.0 4.14 1339 1201 A 87 ALA H A 86 GLU HBx 1.0 0.0 4.62 1340 1202 A 34 GLU H A 34 GLU HB2 1.0 0.0 3.90 1341 1202 A 34 GLU H A 34 GLU HB3 1.0 0.0 3.90 1342 1203 A 97 TRP HA A 100 ALA HB% 1.0 0.0 4.28 1343 1204 A 64 LEU HDy% A 97 TRP HA 1.0 0.0 5.32 1344 1205 A 97 TRP HB3 A 94 ALA HA 1.0 0.0 5.44 1345 1206 A 98 LEU H A 98 LEU HBy 1.0 0.0 3.96 1346 1207 A 95 GLU HA A 98 LEU HBy 1.0 0.0 4.29 1347 1208 A 20 GLN HGx A 18 LEU HB2 1.0 0.0 4.68 1348 1208 A 18 LEU HB3 A 20 GLN HGx 1.0 0.0 4.68 1349 1209 A 98 LEU HDx% A 65 ARG H 1.0 0.0 4.81 1350 1210 A 98 LEU HDx% A 98 LEU H 1.0 0.0 4.56 1351 1211 A 98 LEU HDx% A 102 GLN HE22 1.0 0.0 6.14 1352 1212 A 98 LEU HDy% A 99 GLN H 1.0 0.0 5.69 1353 1213 A 98 LEU HDy% A 65 ARG H 1.0 0.0 5.64 1354 1214 A 98 LEU HDy% A 65 ARG HA 1.0 0.0 3.94 1355 1215 A 98 LEU HDy% A 95 GLU HA 1.0 0.0 4.25 1356 1216 A 98 LEU HDy% A 98 LEU HA 1.0 0.0 4.03 1357 1217 A 98 LEU HDx% A 98 LEU HA 1.0 0.0 3.54 1358 1218 A 98 LEU HDy% A 65 ARG HDx 1.0 0.0 6.17 1359 1219 A 98 LEU HDy% A 65 ARG HDy 1.0 0.0 6.17 1360 1220 A 98 LEU HDx% A 97 TRP HB2 1.0 0.0 6.30 1361 1221 A 98 LEU HDx% A 65 ARG HB2 1.0 0.0 4.14 1362 1221 A 98 LEU HDx% A 65 ARG HB3 1.0 0.0 4.14 1363 1222 A 98 LEU HDy% A 98 LEU HBx 1.0 0.0 3.79 1364 1223 A 98 LEU HDy% A 98 LEU HBy 1.0 0.0 3.79 1365 1224 A 98 LEU H A 98 LEU HG 1.0 0.0 5.26 1366 1225 A 99 GLN H A 98 LEU HG 1.0 0.0 5.69 1367 1226 A 96 GLU HA A 99 GLN HB2 1.0 0.0 4.14 1368 1226 A 99 GLN HB3 A 96 GLU HA 1.0 0.0 4.14 1369 1227 A 100 ALA HB% A 101 GLU HA 1.0 0.0 5.72 1370 1228 A 56 TYR HD% A 101 GLU HGx 1.0 0.0 4.91 1371 1229 A 56 TYR HD% A 101 GLU HGy 1.0 0.0 4.91 1372 1230 A 64 LEU HDy% A 101 GLU HGy 1.0 0.0 5.30 1373 1231 A 64 LEU HDy% A 101 GLU HGx 1.0 0.0 5.30 1374 1232 A 2 ASP HA A 5 ILE HD1% 1.0 0.0 4.50 1375 1233 A 2 ASP HA A 5 ILE HB 1.0 0.0 4.43 1376 1234 A 12 TYR HD% A 12 TYR HA 1.0 0.0 5.02 1377 1235 A 23 LEU HG A 24 MET HE% 1.0 0.0 4.23 1378 1236 A 26 ARG HA A 26 ARG HGx 1.0 0.0 4.27 1379 1237 A 27 ALA HB% A 31 ILE HD1% 1.0 0.0 4.96 1380 1238 A 98 LEU HDx% A 64 LEU HB3 1.0 0.0 4.94 1381 1239 A 38 MET HE% A 40 LYS HG2 1.0 0.0 4.45 1382 1239 A 40 LYS HG3 A 38 MET HE% 1.0 0.0 4.45 1383 1240 A 65 ARG HB3 A 65 ARG HDy 1.0 0.0 4.16 1384 1240 A 65 ARG HB2 A 65 ARG HDy 1.0 0.0 4.16 1385 1241 A 65 ARG HB3 A 65 ARG HDx 1.0 0.0 4.16 1386 1241 A 65 ARG HDx A 65 ARG HB2 1.0 0.0 4.16 1387 1242 A 48 PHE HE% A 70 SER HA 1.0 0.0 5.46 1388 1243 A 74 ALA HB% A 70 SER HA 1.0 0.0 5.65 1389 1244 A 41 ALA HB% A 40 LYS HA 1.0 0.0 4.61 1390 1245 A 89 GLU H A 88 LYS HGx 1.0 0.0 5.91 1391 1246 A 89 GLU H A 89 GLU HBx 1.0 0.0 4.15 1392 1247 A 89 GLU H A 89 GLU HGx 1.0 0.0 4.67 1393 1248 A 93 LYS H A 91 ALA HA 1.0 0.0 6.03 1394 1249 A 88 LYS H A 91 ALA HB% 1.0 0.0 5.53 1395 1250 A 71 LEU HDy% A 91 ALA HB% 1.0 0.0 3.54 1396 1251 A 98 LEU HDy% A 99 GLN HGx 1.0 0.0 6.30 1397 1252 A 99 GLN H A 99 GLN HGy 1.0 0.0 4.61 1398 1253 A 96 GLU HA A 99 GLN HGy 1.0 0.0 5.40 1399 1254 A 96 GLU HA A 99 GLN HGx 1.0 0.0 5.40 1400 1255 A 98 LEU HDy% A 99 GLN HGy 1.0 0.0 6.30 1401 1256 A 98 LEU HG A 102 GLN HGx 1.0 0.0 6.30 1402 1257 A 98 LEU HG A 102 GLN HGy 1.0 0.0 6.30 1403 1258 A 98 LEU HDx% A 102 GLN HGy 1.0 0.0 6.30 1404 1259 A 98 LEU HDy% A 102 GLN HGy 1.0 0.0 6.30 1405 1260 A 98 LEU HDx% A 102 GLN HGx 1.0 0.0 6.30 1406 1261 A 98 LEU HDy% A 102 GLN HGx 1.0 0.0 6.30 1407 1262 A 102 GLN H A 102 GLN HGy 1.0 0.0 5.04 1408 1263 A 87 ALA HB% A 90 MET HE% 1.0 0.0 3.64 1409 1264 A 90 MET HB2 A 90 MET HE% 1.0 0.0 3.13 1410 1265 A 45 ALA HA A 48 PHE HB3 1.0 0.0 5.06 1411 1266 A 5 ILE H A 5 ILE HG2% 1.0 0.0 4.85 1412 1267 A 6 ALA H A 5 ILE HG2% 1.0 0.0 5.17 1413 1268 A 4 ASN HA A 7 LYS HBx 1.0 0.0 5.41 1414 1269 A 4 ASN HA A 7 LYS HD2 1.0 0.0 5.51 1415 1269 A 4 ASN HA A 7 LYS HD3 1.0 0.0 5.51 1416 1270 A 11 ALA HB% A 8 PHE HA 1.0 0.0 4.83 1417 1271 A 91 ALA H A 88 LYS HA 1.0 0.0 4.84 1418 1272 A 75 ILE HG2% A 88 LYS HEy 1.0 0.0 4.98 1419 1273 A 75 ILE HG2% A 88 LYS HEx 1.0 0.0 4.98 1420 1274 A 23 LEU HDx% A 23 LEU HBy 1.0 0.0 4.32 1421 1275 A 23 LEU HDx% A 23 LEU HBx 1.0 0.0 4.32 1422 1276 A 23 LEU HDx% A 20 GLN HB2 1.0 0.0 4.06 1423 1276 A 20 GLN HB3 A 23 LEU HDx% 1.0 0.0 4.06 1424 1277 A 23 LEU HDx% A 20 GLN HGx 1.0 0.0 5.28 1425 1278 A 23 LEU HDx% A 23 LEU HA 1.0 0.0 4.45 1426 1279 A 23 LEU HDx% A 20 GLN HA 1.0 0.0 5.43 1427 1280 A 23 LEU HDx% A 20 GLN HE21 1.0 0.0 5.91 1428 1281 A 23 LEU HA A 23 LEU HDy% 1.0 0.0 3.31 1429 1282 A 24 MET H A 23 LEU HDy% 1.0 0.0 5.80 1430 1283 A 18 LEU HDx% A 18 LEU HB2 1.0 0.0 3.38 1431 1283 A 18 LEU HB3 A 18 LEU HDx% 1.0 0.0 3.38 1432 1284 A 18 LEU HDx% A 18 LEU HA 1.0 0.0 4.49 1433 1285 A 20 GLN HE22 A 18 LEU HDx% 1.0 0.0 5.40 1434 1286 A 20 GLN HE21 A 18 LEU HDx% 1.0 0.0 5.81 1435 1287 A 18 LEU HDy% A 18 LEU HB2 1.0 0.0 3.48 1436 1287 A 18 LEU HB3 A 18 LEU HDy% 1.0 0.0 3.48 1437 1288 A 18 LEU HDy% A 20 GLN HB2 1.0 0.0 5.23 1438 1288 A 20 GLN HB3 A 18 LEU HDy% 1.0 0.0 5.23 1439 1289 A 18 LEU HDy% A 18 LEU HA 1.0 0.0 3.29 1440 1290 A 25 GLY H A 24 MET HBx 1.0 0.0 6.24 1441 1291 A 25 GLY HA2 A 51 ALA HB% 1.0 0.0 5.59 1442 1292 A 25 GLY HA2 A 55 PHE HD% 1.0 0.0 6.24 1443 1293 A 25 GLY HA3 A 55 PHE HD% 1.0 0.0 6.12 1444 1294 A 12 TYR HB3 A 27 ALA HB% 1.0 0.0 5.48 1445 1295 A 27 ALA HB% A 12 TYR HA 1.0 0.0 4.51 1446 1296 A 27 ALA HB% A 28 LEU HA 1.0 0.0 4.96 1447 1297 A 48 PHE HD% A 71 LEU HB2 1.0 0.0 5.82 1448 1298 A 29 TYR HA A 48 PHE HA 1.0 0.0 5.23 1449 1299 A 31 ILE HB A 32 GLY HA2 1.0 0.0 5.92 1450 1300 A 31 ILE HB A 47 TYR HB3 1.0 0.0 6.12 1451 1301 A 31 ILE HG2% A 5 ILE HG2% 1.0 0.0 3.85 1452 1302 A 30 ASN HA A 33 LEU HG 1.0 0.0 5.26 1453 1303 A 33 LEU HDy% A 36 ASN HBx 1.0 0.0 5.33 1454 1304 A 35 LYS HA A 38 MET HGx 1.0 0.0 5.40 1455 1305 A 35 LYS HA A 38 MET HGy 1.0 0.0 5.40 1456 1306 A 35 LYS HA A 38 MET HB2 1.0 0.0 4.35 1457 1307 A 37 LYS HB2 A 38 MET HGy 1.0 0.0 4.94 1458 1307 A 37 LYS HB3 A 38 MET HGy 1.0 0.0 4.94 1459 1308 A 37 LYS HB3 A 38 MET HGx 1.0 0.0 4.94 1460 1308 A 38 MET HGx A 37 LYS HB2 1.0 0.0 4.94 1461 1309 A 38 MET HE% A 40 LYS HEx 1.0 0.0 4.85 1462 1310 A 40 LYS HA A 40 LYS HG2 1.0 0.0 4.04 1463 1310 A 40 LYS HG3 A 40 LYS HA 1.0 0.0 4.04 1464 1311 A 45 ALA H A 41 ALA HA 1.0 0.0 5.39 1465 1312 A 41 ALA HB% A 78 ILE HD1% 1.0 0.0 4.03 1466 1313 A 47 TYR HE% A 43 GLU HGx 1.0 0.0 6.30 1467 1314 A 47 TYR HE% A 43 GLU HGy 1.0 0.0 6.30 1468 1315 A 74 ALA HB% A 75 ILE HA 1.0 0.0 5.00 1469 1316 A 61 THR HA A 64 LEU HG 1.0 0.0 5.25 1470 1317 A 37 LYS H A 37 LYS HGy 1.0 0.0 4.79 1471 1318 A 61 THR HG2% A 101 GLU HBx 1.0 0.0 4.37 1472 1319 A 40 LYS HG3 A 40 LYS HEy 1.0 0.0 4.21 1473 1319 A 40 LYS HEy A 40 LYS HG2 1.0 0.0 4.21 1474 1320 A 61 THR HG2% A 102 GLN H 1.0 0.0 5.26 1475 1321 A 78 ILE HG2% A 42 ARG HDy 1.0 0.0 5.24 1476 1322 A 55 PHE HD% A 63 GLY HA2 1.0 0.0 6.26 1477 1323 A 78 ILE HD1% A 42 ARG HDy 1.0 0.0 4.95 1478 1324 A 63 GLY HA3 A 66 ARG H 1.0 0.0 6.26 1479 1325 A 45 ALA H A 48 PHE HB2 1.0 0.0 6.30 1480 1326 A 56 TYR HB3 A 64 LEU HDx% 1.0 0.0 5.02 1481 1327 A 55 PHE H A 64 LEU HDx% 1.0 0.0 5.64 1482 1328 A 64 LEU HDx% A 68 ALA H 1.0 0.0 6.22 1483 1329 A 49 PHE HD% A 90 MET HA 1.0 0.0 5.20 1484 1330 A 88 LYS H A 90 MET HE% 1.0 0.0 5.08 1485 1331 A 54 VAL HGy% A 53 ILE HB 1.0 0.0 4.98 1486 1332 A 53 ILE HG13 A 50 ARG HA 1.0 0.0 4.76 1487 1333 A 65 ARG HA A 65 ARG HGy 1.0 0.0 4.23 1488 1334 A 94 ALA HB% A 49 PHE HE% 1.0 0.0 4.89 1489 1335 A 78 ILE HD1% A 88 LYS HA 1.0 0.0 4.46 1490 1336 A 28 LEU HDy% A 50 ARG HB2 1.0 0.0 5.58 1491 1337 A 66 ARG H A 65 ARG HGy 1.0 0.0 5.95 1492 1338 A 98 LEU H A 95 GLU HA 1.0 0.0 4.06 1493 1339 A 97 TRP HB2 A 68 ALA HB% 1.0 0.0 5.76 1494 1340 A 75 ILE HG2% A 88 LYS HBx 1.0 0.0 4.92 1495 1341 A 48 PHE HD% A 71 LEU HA 1.0 0.0 4.29 1496 1342 A 96 GLU H A 96 GLU HGx 1.0 0.0 4.60 1497 1343 A 48 PHE HB2 A 71 LEU HB2 1.0 0.0 4.89 1498 1344 A 98 LEU HDx% A 61 THR HA 1.0 0.0 4.95 1499 1345 A 72 LYS H A 71 LEU HG 1.0 0.0 5.59 1500 1346 A 71 LEU HDy% A 90 MET HB2 1.0 0.0 4.20 1501 1347 A 61 THR HG2% A 102 GLN HA 1.0 0.0 5.28 1502 1348 A 51 ALA HB% A 48 PHE HA 1.0 0.0 3.98 1503 1349 A 71 LEU HDx% A 90 MET HB2 1.0 0.0 4.43 1504 1350 A 52 ALA HA A 67 ALA HB% 1.0 0.0 4.24 1505 1351 A 71 LEU HDx% A 72 LYS H 1.0 0.0 5.73 1506 1352 A 71 LEU HDx% A 49 PHE HE% 1.0 0.0 5.20 1507 1353 A 53 ILE HB A 97 TRP HZ3 1.0 0.0 6.12 1508 1354 A 53 ILE HG2% A 57 LYS HD2 1.0 0.0 4.51 1509 1354 A 53 ILE HG2% A 57 LYS HD3 1.0 0.0 4.51 1510 1355 A 72 LYS HA A 72 LYS HGy 1.0 0.0 4.30 1511 1356 A 12 TYR HB3 A 31 ILE HD1% 1.0 0.0 5.52 1512 1357 A 72 LYS HA A 72 LYS HGx 1.0 0.0 4.30 1513 1358 A 69 LYS HA A 69 LYS HE2 1.0 0.0 4.21 1514 1358 A 69 LYS HA A 69 LYS HE3 1.0 0.0 4.21 1515 1359 A 76 THR H A 73 GLU HA 1.0 0.0 5.82 1516 1360 A 55 PHE HB2 A 64 LEU HB3 1.0 0.0 6.30 1517 1361 A 73 GLU HA A 73 GLU HGx 1.0 0.0 4.23 1518 1362 A 17 GLU H A 17 GLU HGx 1.0 0.0 5.13 1519 1363 A 28 LEU HDx% A 12 TYR HE% 1.0 0.0 3.17 1520 1364 A 54 VAL HGy% A 12 TYR HE% 1.0 0.0 4.12 1521 1365 A 27 ALA HB% A 12 TYR HE% 1.0 0.0 3.96 1522 1366 A 28 LEU HG A 12 TYR HE% 1.0 0.0 3.39 1523 1367 A 12 TYR HE% A 24 MET HBx 1.0 0.0 3.97 1524 1368 A 12 TYR HE% A 24 MET HBy 1.0 0.0 3.97 1525 1369 A 25 GLY HA2 A 12 TYR HE% 1.0 0.0 4.81 1526 1370 A 28 LEU HA A 12 TYR HE% 1.0 0.0 4.44 1527 1371 A 13 LYS H A 12 TYR HD% 1.0 0.0 4.28 1528 1372 A 28 LEU H A 12 TYR HD% 1.0 0.0 4.75 1529 1373 A 28 LEU HA A 12 TYR HD% 1.0 0.0 3.86 1530 1374 A 28 LEU HG A 12 TYR HD% 1.0 0.0 3.43 1531 1375 A 27 ALA HB% A 12 TYR HD% 1.0 0.0 3.48 1532 1376 A 8 PHE HD% A 5 ILE HA 1.0 0.0 4.24 1533 1377 A 11 ALA HB% A 8 PHE HD% 1.0 0.0 5.21 1534 1378 A 8 PHE HD% A 34 GLU HB2 1.0 0.0 5.61 1535 1378 A 34 GLU HB3 A 8 PHE HD% 1.0 0.0 5.61 1536 1379 A 8 PHE HE% A 34 GLU HGx 1.0 0.0 5.13 1537 1380 A 31 ILE HA A 8 PHE HE% 1.0 0.0 6.21 1538 1381 A 29 TYR H A 29 TYR HD% 1.0 0.0 4.64 1539 1382 A 30 ASN H A 29 TYR HD% 1.0 0.0 4.62 1540 1383 A 29 TYR HE% A 70 SER HBy 1.0 0.0 3.96 1541 1384 A 29 TYR HE% A 70 SER HBx 1.0 0.0 3.96 1542 1385 A 33 LEU HDx% A 29 TYR HE% 1.0 0.0 3.24 1543 1386 A 33 LEU HG A 29 TYR HE% 1.0 0.0 4.13 1544 1387 A 67 ALA HB% A 29 TYR HE% 1.0 0.0 3.80 1545 1388 A 31 ILE HB A 47 TYR HE% 1.0 0.0 4.96 1546 1389 A 67 ALA HA A 29 TYR HE% 1.0 0.0 2.97 1547 1390 A 29 TYR HA A 29 TYR HE% 1.0 0.0 5.21 1548 1391 A 70 SER H A 29 TYR HE% 1.0 0.0 4.47 1549 1392 A 71 LEU H A 29 TYR HE% 1.0 0.0 5.29 1550 1393 A 67 ALA H A 29 TYR HE% 1.0 0.0 4.77 1551 1394 A 67 ALA HA A 29 TYR HD% 1.0 0.0 3.55 1552 1395 A 48 PHE HD% A 45 ALA HA 1.0 0.0 3.34 1553 1396 A 48 PHE HD% A 71 LEU HDx% 1.0 0.0 4.75 1554 1397 A 48 PHE HD% A 67 ALA HB% 1.0 0.0 4.87 1555 1398 A 48 PHE HE% A 33 LEU HDy% 1.0 0.0 4.06 1556 1399 A 48 PHE HE% A 44 ALA HB% 1.0 0.0 4.03 1557 1400 A 48 PHE HE% A 33 LEU HG 1.0 0.0 4.23 1558 1401 A 48 PHE HE% A 74 ALA HB% 1.0 0.0 4.08 1559 1402 A 48 PHE HE% A 32 GLY HA3 1.0 0.0 5.34 1560 1403 A 48 PHE HE% A 33 LEU HA 1.0 0.0 4.19 1561 1404 A 48 PHE HE% A 33 LEU H 1.0 0.0 4.55 1562 1405 A 48 PHE HE% A 29 TYR HD% 1.0 0.0 3.18 1563 1406 A 25 GLY HA3 A 55 PHE HZ 1.0 0.0 4.90 1564 1407 A 48 PHE HZ A 36 ASN HBx 1.0 0.0 5.50 1565 1408 A 48 PHE HZ A 33 LEU HA 1.0 0.0 3.73 1566 1409 A 26 ARG H A 55 PHE HZ 1.0 0.0 4.86 1567 1410 A 48 PHE HZ A 33 LEU HG 1.0 0.0 5.06 1568 1411 A 71 LEU HDx% A 49 PHE HD% 1.0 0.0 4.02 1569 1412 A 49 PHE HD% A 90 MET HB3 1.0 0.0 4.42 1570 1413 A 49 PHE HA A 49 PHE HE% 1.0 0.0 4.65 1571 1414 A 90 MET HA A 49 PHE HE% 1.0 0.0 4.18 1572 1415 A 93 LYS HB2 A 49 PHE HE% 1.0 0.0 4.08 1573 1416 A 93 LYS HB3 A 49 PHE HE% 1.0 0.0 4.20 1574 1417 A 49 PHE HE% A 90 MET HB3 1.0 0.0 4.89 1575 1418 A 93 LYS HB2 A 49 PHE HZ 1.0 0.0 4.65 1576 1419 A 49 PHE HZ A 93 LYS HDy 1.0 0.0 5.01 1577 1420 A 53 ILE HG13 A 49 PHE HZ 1.0 0.0 5.62 1578 1421 A 90 MET HB3 A 49 PHE HZ 1.0 0.0 5.95 1579 1422 A 93 LYS HB3 A 49 PHE HZ 1.0 0.0 4.75 1580 1423 A 53 ILE HD1% A 49 PHE HZ 1.0 0.0 4.91 1581 1424 A 90 MET HA A 49 PHE HZ 1.0 0.0 4.94 1582 1425 A 97 TRP HZ3 A 49 PHE HZ 1.0 0.0 5.09 1583 1426 A 59 HIS H A 59 HIS HD2 1.0 0.0 4.70 1584 1427 A 59 HIS HD2 A 59 HIS HA 1.0 0.0 4.23 1585 1428 A 59 HIS HD2 A 59 HIS HB2 1.0 0.0 3.42 1586 1428 A 59 HIS HB3 A 59 HIS HD2 1.0 0.0 3.42 1587 1429 A 59 HIS HE1 A 59 HIS HB2 1.0 0.0 5.16 1588 1429 A 59 HIS HB3 A 59 HIS HE1 1.0 0.0 5.16 1589 1430 A 56 TYR HE% A 59 HIS HE1 1.0 0.0 4.94 1590 1431 A 97 TRP H A 97 TRP HD1 1.0 0.0 3.98 1591 1432 A 97 TRP HA A 97 TRP HD1 1.0 0.0 3.01 1592 1433 A 97 TRP HD1 A 96 GLU HBy 1.0 0.0 4.69 1593 1434 A 97 TRP HD1 A 96 GLU HBx 1.0 0.0 4.69 1594 1435 A 100 ALA HB% A 97 TRP HD1 1.0 0.0 4.54 1595 1436 A 64 LEU HDy% A 97 TRP HD1 1.0 0.0 5.54 1596 1437 A 64 LEU HDy% A 97 TRP HE3 1.0 0.0 4.57 1597 1438 A 64 LEU HDx% A 97 TRP HE3 1.0 0.0 3.72 1598 1439 A 52 ALA HB% A 97 TRP HE3 1.0 0.0 4.14 1599 1440 A 56 TYR HB2 A 97 TRP HE3 1.0 0.0 4.76 1600 1441 A 97 TRP HB2 A 97 TRP HE3 1.0 0.0 3.86 1601 1442 A 94 ALA HA A 97 TRP HE3 1.0 0.0 3.64 1602 1443 A 97 TRP H A 97 TRP HE3 1.0 0.0 4.95 1603 1444 A 53 ILE HD1% A 97 TRP HH2 1.0 0.0 3.91 1604 1445 A 53 ILE HG12 A 97 TRP HH2 1.0 0.0 3.48 1605 1446 A 93 LYS HB3 A 97 TRP HH2 1.0 0.0 4.58 1606 1447 A 53 ILE HG13 A 97 TRP HH2 1.0 0.0 3.76 1607 1448 A 93 LYS HB2 A 97 TRP HH2 1.0 0.0 5.32 1608 1449 A 52 ALA HB% A 97 TRP HH2 1.0 0.0 4.63 1609 1450 A 53 ILE HA A 97 TRP HH2 1.0 0.0 4.47 1610 1451 A 49 PHE HZ A 97 TRP HH2 1.0 0.0 3.50 1611 1452 A 53 ILE H A 97 TRP HH2 1.0 0.0 4.94 1612 1453 A 53 ILE HD1% A 97 TRP HZ2 1.0 0.0 5.13 1613 1454 A 53 ILE HG12 A 97 TRP HZ2 1.0 0.0 4.53 1614 1455 A 93 LYS HB3 A 97 TRP HZ2 1.0 0.0 3.94 1615 1456 A 53 ILE HG13 A 97 TRP HZ2 1.0 0.0 4.82 1616 1457 A 97 TRP HZ2 A 93 LYS HDy 1.0 0.0 4.57 1617 1458 A 97 TRP HZ2 A 93 LYS HE2 1.0 0.0 4.59 1618 1458 A 93 LYS HE3 A 97 TRP HZ2 1.0 0.0 4.59 1619 1459 A 53 ILE HA A 97 TRP HZ2 1.0 0.0 5.17 1620 1460 A 53 ILE H A 97 TRP HZ3 1.0 0.0 4.79 1621 1461 A 49 PHE HE% A 97 TRP HZ3 1.0 0.0 4.42 1622 1462 A 97 TRP HZ3 A 94 ALA HA 1.0 0.0 4.83 1623 1463 A 53 ILE HA A 97 TRP HZ3 1.0 0.0 4.16 1624 1464 A 52 ALA HB% A 97 TRP HZ3 1.0 0.0 3.85 1625 1465 A 53 ILE HG13 A 97 TRP HZ3 1.0 0.0 4.14 1626 1466 A 64 LEU HDx% A 97 TRP HZ3 1.0 0.0 4.62 1627 1467 A 53 ILE HD1% A 97 TRP HZ3 1.0 0.0 4.98 1628 1468 A 53 ILE HG12 A 97 TRP HZ3 1.0 0.0 4.47 1629 1469 A 71 LEU HDx% A 97 TRP HZ3 1.0 0.0 6.00 1630 1470 A 93 LYS HB3 A 97 TRP HZ3 1.0 0.0 6.28 1631 1471 A 28 LEU HDy% A 47 TYR HE% 1.0 0.0 3.80 1632 1472 A 47 TYR HE% A 31 ILE HD1% 1.0 0.0 3.95 1633 1473 A 47 TYR HE% A 35 LYS HEy 1.0 0.0 4.37 1634 1474 A 47 TYR HE% A 35 LYS HEx 1.0 0.0 4.37 1635 1475 A 47 TYR HE% A 47 TYR H 1.0 0.0 5.06 1636 1476 A 47 TYR HE% A 31 ILE HG2% 1.0 0.0 3.69 1637 1477 A 51 ALA HB% A 55 PHE HD% 1.0 0.0 4.43 1638 1478 A 55 PHE HD% A 60 ASP HB2 1.0 0.0 4.48 1639 1479 A 52 ALA HA A 55 PHE HD% 1.0 0.0 3.96 1640 1480 A 55 PHE HA A 55 PHE HD% 1.0 0.0 3.80 1641 1481 A 55 PHE HA A 55 PHE HE% 1.0 0.0 4.47 1642 1482 A 52 ALA HA A 55 PHE HE% 1.0 0.0 4.57 1643 1483 A 51 ALA HA A 55 PHE HE% 1.0 0.0 5.87 1644 1484 A 29 TYR HB2 A 55 PHE HE% 1.0 0.0 4.81 1645 1485 A 25 GLY HA3 A 55 PHE HE% 1.0 0.0 4.73 1646 1486 A 67 ALA HB% A 55 PHE HE% 1.0 0.0 4.18 1647 1487 A 51 ALA HB% A 55 PHE HE% 1.0 0.0 4.17 1648 1488 A 26 ARG HA A 55 PHE HZ 1.0 0.0 3.68 1649 1489 A 25 GLY HA2 A 55 PHE HZ 1.0 0.0 5.95 1650 1490 A 55 PHE HZ A 26 ARG HDx 1.0 0.0 6.30 1651 1491 A 55 PHE HZ A 26 ARG HB2 1.0 0.0 4.87 1652 1491 A 26 ARG HB3 A 55 PHE HZ 1.0 0.0 4.87 1653 1492 A 55 PHE HZ A 26 ARG HGy 1.0 0.0 5.02 1654 1493 A 55 PHE HZ A 26 ARG HGx 1.0 0.0 5.02 1655 1494 A 51 ALA HB% A 55 PHE HZ 1.0 0.0 4.76 1656 1495 A 56 TYR H A 56 TYR HD% 1.0 0.0 4.40 1657 1496 A 57 LYS H A 56 TYR HD% 1.0 0.0 4.77 1658 1497 A 56 TYR HD% A 56 TYR HA 1.0 0.0 3.17 1659 1498 A 53 ILE HA A 56 TYR HD% 1.0 0.0 4.43 1660 1499 A 97 TRP HB2 A 56 TYR HD% 1.0 0.0 4.77 1661 1500 A 56 TYR HD% A 97 TRP HB3 1.0 0.0 3.86 1662 1501 A 56 TYR HD% A 64 LEU HG 1.0 0.0 5.85 1663 1502 A 56 TYR HD% A 100 ALA HB% 1.0 0.0 6.20 1664 1503 A 64 LEU HDy% A 56 TYR HD% 1.0 0.0 3.65 1665 1504 A 56 TYR HD% A 64 LEU HDx% 1.0 0.0 4.50 1666 1505 A 56 TYR HE% A 97 TRP HA 1.0 0.0 3.62 1667 1506 A 97 TRP HB2 A 56 TYR HE% 1.0 0.0 4.83 1668 1507 A 97 TRP HB3 A 56 TYR HE% 1.0 0.0 3.97 1669 1508 A 56 TYR HE% A 100 ALA HB% 1.0 0.0 3.99 1670 1509 A 64 LEU HDy% A 56 TYR HE% 1.0 0.0 4.23 1671 1510 A 64 LEU HDx% A 56 TYR HE% 1.0 0.0 4.90 1672 1511 A 57 LYS H A 56 TYR HE% 1.0 0.0 5.22 1673 1512 A 49 PHE HD% A 49 PHE HA 1.0 0.0 3.66 1674 1513 A 29 TYR HD% A 33 LEU HDx% 1.0 0.0 4.35 1675 1514 A 28 LEU HDy% A 47 TYR HD% 1.0 0.0 3.75 1676 1515 A 47 TYR HD% A 47 TYR HA 1.0 0.0 4.08 1677 1516 A 55 PHE HD% A 63 GLY H 1.0 0.0 6.04 1678 1517 A 26 ARG H A 55 PHE HE% 1.0 0.0 5.24 1679 1518 A 56 TYR HD% A 97 TRP H 1.0 0.0 6.16 1680 1519 A 56 TYR HD% A 98 LEU H 1.0 0.0 6.30 1681 1520 A 97 TRP HZ2 A 93 LYS HDx 1.0 0.0 4.57 1682 1521 A 33 LEU HG A 29 TYR HD% 1.0 0.0 4.69 1683 1522 A 33 LEU HDy% A 29 TYR HE% 1.0 0.0 3.70 1684 1523 A 47 TYR HD% A 31 ILE HG2% 1.0 0.0 4.22 1685 1524 A 31 ILE HB A 47 TYR HD% 1.0 0.0 4.43 1686 1525 A 29 TYR HA A 29 TYR HD% 1.0 0.0 3.51 1687 1526 A 47 TYR HD% A 47 TYR H 1.0 0.0 3.68 1688 1527 A 47 TYR HE% A 43 GLU HB2 1.0 0.0 3.94 1689 1527 A 47 TYR HE% A 43 GLU HB3 1.0 0.0 3.94 1690 1528 A 8 PHE HD% A 8 PHE HA 1.0 0.0 3.69 1691 1529 A 8 PHE HE% A 34 GLU HGy 1.0 0.0 5.13 1692 1530 A 48 PHE HZ A 44 ALA HB% 1.0 0.0 4.85 1693 1531 A 48 PHE HZ A 36 ASN HBy 1.0 0.0 5.50 1694 1532 A 49 PHE HZ A 93 LYS HDx 1.0 0.0 5.01 1695 1533 A 5 ILE HB A 2 ASP HBx 1.0 0.0 4.80 1696 1533 A 5 ILE HB A 2 ASP HBy 1.0 0.0 4.80 1697 1534 A 5 ILE HG2% A 2 ASP HBx 1.0 0.0 6.10 1698 1534 A 5 ILE HG2% A 2 ASP HBy 1.0 0.0 6.10 1699 1535 A 5 ILE HD1% A 2 ASP HBx 1.0 0.0 5.20 1700 1535 A 5 ILE HD1% A 2 ASP HBy 1.0 0.0 5.20 1701 1536 A 4 ASN HA A 7 LYS HBx 1.0 0.0 4.75 1702 1536 A 4 ASN HA A 7 LYS HBy 1.0 0.0 4.75 1703 1537 A 8 PHE HD% A 4 ASN HBy 1.0 0.0 6.03 1704 1537 A 8 PHE HD% A 4 ASN HBx 1.0 0.0 6.03 1705 1538 A 8 PHE HE% A 4 ASN HBy 1.0 0.0 5.22 1706 1538 A 8 PHE HE% A 4 ASN HBx 1.0 0.0 5.22 1707 1539 A 5 ILE H A 5 ILE HG1y 1.0 0.0 4.05 1708 1539 A 5 ILE H A 5 ILE HG1x 1.0 0.0 4.05 1709 1540 A 5 ILE HA A 8 PHE HBy 1.0 0.0 5.33 1710 1540 A 5 ILE HA A 8 PHE HBx 1.0 0.0 5.33 1711 1541 A 5 ILE HG2% A 9 GLU HGy 1.0 0.0 4.00 1712 1541 A 5 ILE HG2% A 9 GLU HGx 1.0 0.0 4.00 1713 1542 A 5 ILE HG2% A 34 GLU HGy 1.0 0.0 5.74 1714 1542 A 5 ILE HG2% A 34 GLU HGx 1.0 0.0 5.74 1715 1543 A 5 ILE HG2% A 35 LYS HEx 1.0 0.0 4.65 1716 1543 A 5 ILE HG2% A 35 LYS HEy 1.0 0.0 4.65 1717 1544 A 31 ILE HG2% A 5 ILE HG1y 1.0 0.0 4.64 1718 1544 A 31 ILE HG2% A 5 ILE HG1x 1.0 0.0 4.64 1719 1545 A 5 ILE HG1y A 34 GLU HGy 1.0 0.0 5.89 1720 1545 A 5 ILE HG1x A 34 GLU HGy 1.0 0.0 5.89 1721 1545 A 34 GLU HGx A 5 ILE HG1y 1.0 0.0 5.89 1722 1545 A 5 ILE HG1x A 34 GLU HGx 1.0 0.0 5.89 1723 1546 A 38 MET HE% A 5 ILE HG1y 1.0 0.0 5.09 1724 1546 A 38 MET HE% A 5 ILE HG1x 1.0 0.0 5.09 1725 1547 A 5 ILE HD1% A 34 GLU HGy 1.0 0.0 4.76 1726 1547 A 5 ILE HD1% A 34 GLU HGx 1.0 0.0 4.76 1727 1548 A 5 ILE HD1% A 35 LYS HGy 1.0 0.0 4.34 1728 1548 A 5 ILE HD1% A 35 LYS HGx 1.0 0.0 4.34 1729 1549 A 5 ILE HD1% A 35 LYS HEx 1.0 0.0 4.82 1730 1549 A 5 ILE HD1% A 35 LYS HEy 1.0 0.0 4.82 1731 1550 A 5 ILE HD1% A 38 MET HGy 1.0 0.0 6.03 1732 1550 A 5 ILE HD1% A 38 MET HGx 1.0 0.0 6.03 1733 1551 A 6 ALA HA A 9 GLU HGy 1.0 0.0 4.06 1734 1551 A 6 ALA HA A 9 GLU HGx 1.0 0.0 4.06 1735 1552 A 7 LYS HBx A 7 LYS HE2 1.0 0.0 5.54 1736 1552 A 7 LYS HBy A 7 LYS HE2 1.0 0.0 5.54 1737 1552 A 7 LYS HE3 A 7 LYS HBx 1.0 0.0 5.54 1738 1552 A 7 LYS HBy A 7 LYS HE3 1.0 0.0 5.54 1739 1553 A 8 PHE H A 7 LYS HBx 1.0 0.0 4.70 1740 1553 A 8 PHE H A 7 LYS HBy 1.0 0.0 4.70 1741 1554 A 8 PHE HD% A 7 LYS HBx 1.0 0.0 5.01 1742 1554 A 8 PHE HD% A 7 LYS HBy 1.0 0.0 5.01 1743 1555 A 8 PHE HZ A 7 LYS HBx 1.0 0.0 5.44 1744 1555 A 7 LYS HBy A 8 PHE HZ 1.0 0.0 5.44 1745 1556 A 27 ALA HB% A 8 PHE HBy 1.0 0.0 5.46 1746 1556 A 27 ALA HB% A 8 PHE HBx 1.0 0.0 5.46 1747 1557 A 31 ILE HG2% A 8 PHE HBy 1.0 0.0 5.91 1748 1557 A 31 ILE HG2% A 8 PHE HBx 1.0 0.0 5.91 1749 1558 A 8 PHE HBx A 31 ILE HG1x 1.0 0.0 3.91 1750 1558 A 31 ILE HG1y A 8 PHE HBy 1.0 0.0 3.91 1751 1558 A 8 PHE HBx A 31 ILE HG1y 1.0 0.0 3.91 1752 1558 A 8 PHE HBy A 31 ILE HG1x 1.0 0.0 3.91 1753 1559 A 31 ILE HD1% A 8 PHE HBy 1.0 0.0 3.95 1754 1559 A 31 ILE HD1% A 8 PHE HBx 1.0 0.0 3.95 1755 1560 A 8 PHE HD% A 31 ILE HG1x 1.0 0.0 4.75 1756 1560 A 8 PHE HD% A 31 ILE HG1y 1.0 0.0 4.75 1757 1561 A 8 PHE HD% A 34 GLU HGy 1.0 0.0 4.76 1758 1561 A 8 PHE HD% A 34 GLU HGx 1.0 0.0 4.76 1759 1562 A 8 PHE HE% A 34 GLU HGy 1.0 0.0 4.27 1760 1562 A 8 PHE HE% A 34 GLU HGx 1.0 0.0 4.27 1761 1563 A 31 ILE HD1% A 9 GLU HGy 1.0 0.0 3.91 1762 1563 A 31 ILE HD1% A 9 GLU HGx 1.0 0.0 3.91 1763 1564 A 12 TYR HD% A 24 MET HBy 1.0 0.0 5.78 1764 1564 A 12 TYR HD% A 24 MET HBx 1.0 0.0 5.78 1765 1565 A 12 TYR HD% A 24 MET HGx 1.0 0.0 5.21 1766 1565 A 12 TYR HD% A 24 MET HGy 1.0 0.0 5.21 1767 1566 A 12 TYR HD% A 28 LEU HBx 1.0 0.0 3.85 1768 1566 A 12 TYR HD% A 28 LEU HBy 1.0 0.0 3.85 1769 1567 A 12 TYR HE% A 24 MET HBy 1.0 0.0 3.14 1770 1567 A 12 TYR HE% A 24 MET HBx 1.0 0.0 3.14 1771 1568 A 12 TYR HE% A 28 LEU HBx 1.0 0.0 4.19 1772 1568 A 12 TYR HE% A 28 LEU HBy 1.0 0.0 4.19 1773 1569 A 15 ALA HB% A 24 MET HGx 1.0 0.0 3.57 1774 1569 A 15 ALA HB% A 24 MET HGy 1.0 0.0 3.57 1775 1570 A 16 GLU H A 17 GLU HGy 1.0 0.0 6.10 1776 1570 A 16 GLU H A 17 GLU HGx 1.0 0.0 6.10 1777 1571 A 18 LEU HA A 20 GLN HGy 1.0 0.0 5.33 1778 1571 A 18 LEU HA A 20 GLN HGx 1.0 0.0 5.33 1779 1572 A 18 LEU HB3 A 20 GLN HGy 1.0 0.0 4.08 1780 1572 A 18 LEU HB2 A 20 GLN HGy 1.0 0.0 4.08 1781 1572 A 20 GLN HGx A 18 LEU HB2 1.0 0.0 4.08 1782 1572 A 18 LEU HB3 A 20 GLN HGx 1.0 0.0 4.08 1783 1573 A 18 LEU HDx% A 20 GLN HGy 1.0 0.0 5.17 1784 1573 A 18 LEU HDx% A 20 GLN HGx 1.0 0.0 5.17 1785 1574 A 18 LEU HDy% A 20 GLN HGy 1.0 0.0 6.10 1786 1574 A 18 LEU HDy% A 20 GLN HGx 1.0 0.0 6.10 1787 1575 A 20 GLN H A 20 GLN HGy 1.0 0.0 5.06 1788 1575 A 20 GLN H A 20 GLN HGx 1.0 0.0 5.06 1789 1576 A 20 GLN HB3 A 21 GLY HAy 1.0 0.0 5.93 1790 1576 A 20 GLN HB2 A 21 GLY HAy 1.0 0.0 5.93 1791 1576 A 21 GLY HAx A 20 GLN HB2 1.0 0.0 5.93 1792 1576 A 20 GLN HB3 A 21 GLY HAx 1.0 0.0 5.93 1793 1577 A 21 GLY H A 20 GLN HGy 1.0 0.0 6.10 1794 1577 A 21 GLY H A 20 GLN HGx 1.0 0.0 6.10 1795 1578 A 24 MET H A 21 GLY HAy 1.0 0.0 5.60 1796 1578 A 24 MET H A 21 GLY HAx 1.0 0.0 5.60 1797 1579 A 21 GLY HAx A 24 MET HBy 1.0 0.0 5.25 1798 1579 A 24 MET HBx A 21 GLY HAy 1.0 0.0 5.25 1799 1579 A 24 MET HBx A 21 GLY HAx 1.0 0.0 5.25 1800 1579 A 21 GLY HAy A 24 MET HBy 1.0 0.0 5.25 1801 1580 A 24 MET HE% A 21 GLY HAy 1.0 0.0 4.11 1802 1580 A 24 MET HE% A 21 GLY HAx 1.0 0.0 4.11 1803 1581 A 54 VAL HGx% A 21 GLY HAy 1.0 0.0 4.48 1804 1581 A 54 VAL HGx% A 21 GLY HAx 1.0 0.0 4.48 1805 1582 A 21 GLY HAx A 58 GLU HGx 1.0 0.0 4.71 1806 1582 A 58 GLU HGy A 21 GLY HAy 1.0 0.0 4.71 1807 1582 A 21 GLY HAx A 58 GLU HGy 1.0 0.0 4.71 1808 1582 A 21 GLY HAy A 58 GLU HGx 1.0 0.0 4.71 1809 1583 A 24 MET H A 23 LEU HBx 1.0 0.0 4.35 1810 1583 A 24 MET H A 23 LEU HBy 1.0 0.0 4.35 1811 1584 A 24 MET H A 24 MET HGx 1.0 0.0 4.40 1812 1584 A 24 MET H A 24 MET HGy 1.0 0.0 4.40 1813 1585 A 24 MET HE% A 24 MET HBy 1.0 0.0 3.73 1814 1585 A 24 MET HE% A 24 MET HBx 1.0 0.0 3.73 1815 1586 A 54 VAL HGx% A 24 MET HBy 1.0 0.0 4.92 1816 1586 A 54 VAL HGx% A 24 MET HBx 1.0 0.0 4.92 1817 1587 A 25 GLY HA2 A 28 LEU HBx 1.0 0.0 5.20 1818 1587 A 25 GLY HA2 A 28 LEU HBy 1.0 0.0 5.20 1819 1588 A 26 ARG H A 26 ARG HGx 1.0 0.0 5.04 1820 1588 A 26 ARG H A 26 ARG HGy 1.0 0.0 5.04 1821 1589 A 26 ARG H A 26 ARG HDy 1.0 0.0 5.84 1822 1589 A 26 ARG H A 26 ARG HDx 1.0 0.0 5.84 1823 1590 A 26 ARG HA A 26 ARG HGx 1.0 0.0 3.68 1824 1590 A 26 ARG HA A 26 ARG HGy 1.0 0.0 3.68 1825 1591 A 26 ARG HA A 26 ARG HDy 1.0 0.0 4.55 1826 1591 A 26 ARG HA A 26 ARG HDx 1.0 0.0 4.55 1827 1592 A 26 ARG HB3 A 26 ARG HDy 1.0 0.0 3.62 1828 1592 A 26 ARG HB2 A 26 ARG HDy 1.0 0.0 3.62 1829 1592 A 26 ARG HDx A 26 ARG HB2 1.0 0.0 3.62 1830 1592 A 26 ARG HB3 A 26 ARG HDx 1.0 0.0 3.62 1831 1593 A 26 ARG HGx A 30 ASN HD22 1.0 0.0 5.47 1832 1593 A 30 ASN HD21 A 26 ARG HGx 1.0 0.0 5.47 1833 1593 A 30 ASN HD21 A 26 ARG HGy 1.0 0.0 5.47 1834 1593 A 26 ARG HGy A 30 ASN HD22 1.0 0.0 5.47 1835 1594 A 55 PHE HE% A 26 ARG HGx 1.0 0.0 4.43 1836 1594 A 55 PHE HE% A 26 ARG HGy 1.0 0.0 4.43 1837 1595 A 55 PHE HZ A 26 ARG HGx 1.0 0.0 4.36 1838 1595 A 55 PHE HZ A 26 ARG HGy 1.0 0.0 4.36 1839 1596 A 26 ARG HDx A 30 ASN HD22 1.0 0.0 6.10 1840 1596 A 30 ASN HD21 A 26 ARG HDy 1.0 0.0 6.10 1841 1596 A 30 ASN HD21 A 26 ARG HDx 1.0 0.0 6.10 1842 1596 A 26 ARG HDy A 30 ASN HD22 1.0 0.0 6.10 1843 1597 A 28 LEU H A 28 LEU HBx 1.0 0.0 3.56 1844 1597 A 28 LEU H A 28 LEU HBy 1.0 0.0 3.56 1845 1598 A 29 TYR H A 28 LEU HBx 1.0 0.0 3.91 1846 1598 A 29 TYR H A 28 LEU HBy 1.0 0.0 3.91 1847 1599 A 47 TYR HD% A 28 LEU HBx 1.0 0.0 6.10 1848 1599 A 47 TYR HD% A 28 LEU HBy 1.0 0.0 6.10 1849 1600 A 51 ALA H A 28 LEU HBx 1.0 0.0 4.48 1850 1600 A 51 ALA H A 28 LEU HBy 1.0 0.0 4.48 1851 1601 A 51 ALA HA A 28 LEU HBx 1.0 0.0 4.39 1852 1601 A 51 ALA HA A 28 LEU HBy 1.0 0.0 4.39 1853 1602 A 28 LEU HDx% A 50 ARG HDx 1.0 0.0 4.71 1854 1602 A 28 LEU HDx% A 50 ARG HDy 1.0 0.0 4.71 1855 1603 A 29 TYR HE% A 66 ARG HGy 1.0 0.0 6.10 1856 1603 A 29 TYR HE% A 66 ARG HGx 1.0 0.0 6.10 1857 1604 A 29 TYR HE% A 66 ARG HDy 1.0 0.0 5.06 1858 1604 A 29 TYR HE% A 66 ARG HDx 1.0 0.0 5.06 1859 1605 A 29 TYR HE% A 70 SER HBy 1.0 0.0 3.23 1860 1605 A 29 TYR HE% A 70 SER HBx 1.0 0.0 3.23 1861 1606 A 31 ILE H A 31 ILE HG1x 1.0 0.0 4.08 1862 1606 A 31 ILE H A 31 ILE HG1y 1.0 0.0 4.08 1863 1607 A 31 ILE HG2% A 31 ILE HG1x 1.0 0.0 3.49 1864 1607 A 31 ILE HG2% A 31 ILE HG1y 1.0 0.0 3.49 1865 1608 A 31 ILE HG2% A 35 LYS HBx 1.0 0.0 5.62 1866 1608 A 31 ILE HG2% A 35 LYS HBy 1.0 0.0 5.62 1867 1609 A 31 ILE HG2% A 35 LYS HGy 1.0 0.0 4.37 1868 1609 A 31 ILE HG2% A 35 LYS HGx 1.0 0.0 4.37 1869 1610 A 31 ILE HG2% A 35 LYS HEx 1.0 0.0 3.85 1870 1610 A 31 ILE HG2% A 35 LYS HEy 1.0 0.0 3.85 1871 1611 A 32 GLY HA2 A 35 LYS HBx 1.0 0.0 5.29 1872 1611 A 32 GLY HA2 A 35 LYS HBy 1.0 0.0 5.29 1873 1612 A 32 GLY HA3 A 35 LYS HBx 1.0 0.0 5.83 1874 1612 A 32 GLY HA3 A 35 LYS HBy 1.0 0.0 5.83 1875 1613 A 33 LEU HA A 36 ASN HBx 1.0 0.0 4.18 1876 1613 A 33 LEU HA A 36 ASN HBy 1.0 0.0 4.18 1877 1614 A 33 LEU HDx% A 66 ARG HDy 1.0 0.0 6.10 1878 1614 A 33 LEU HDx% A 66 ARG HDx 1.0 0.0 6.10 1879 1615 A 33 LEU HDx% A 70 SER HBy 1.0 0.0 6.10 1880 1615 A 33 LEU HDx% A 70 SER HBx 1.0 0.0 6.10 1881 1616 A 33 LEU HDy% A 36 ASN HBx 1.0 0.0 4.60 1882 1616 A 33 LEU HDy% A 36 ASN HBy 1.0 0.0 4.60 1883 1617 A 33 LEU HDy% A 70 SER HBy 1.0 0.0 5.58 1884 1617 A 33 LEU HDy% A 70 SER HBx 1.0 0.0 5.58 1885 1618 A 34 GLU HB2 A 35 LYS HEx 1.0 0.0 5.85 1886 1618 A 34 GLU HB3 A 35 LYS HEx 1.0 0.0 5.85 1887 1618 A 35 LYS HEy A 34 GLU HB2 1.0 0.0 5.85 1888 1618 A 34 GLU HB3 A 35 LYS HEy 1.0 0.0 5.85 1889 1619 A 35 LYS H A 34 GLU HGy 1.0 0.0 6.10 1890 1619 A 35 LYS H A 34 GLU HGx 1.0 0.0 6.10 1891 1620 A 35 LYS H A 35 LYS HBx 1.0 0.0 3.63 1892 1620 A 35 LYS H A 35 LYS HBy 1.0 0.0 3.63 1893 1621 A 35 LYS H A 35 LYS HGy 1.0 0.0 3.84 1894 1621 A 35 LYS H A 35 LYS HGx 1.0 0.0 3.84 1895 1622 A 35 LYS H A 35 LYS HDx 1.0 0.0 5.84 1896 1622 A 35 LYS H A 35 LYS HDy 1.0 0.0 5.84 1897 1623 A 35 LYS H A 35 LYS HEx 1.0 0.0 6.10 1898 1623 A 35 LYS H A 35 LYS HEy 1.0 0.0 6.10 1899 1624 A 35 LYS HA A 35 LYS HDx 1.0 0.0 3.78 1900 1624 A 35 LYS HA A 35 LYS HDy 1.0 0.0 3.78 1901 1625 A 35 LYS HBy A 35 LYS HEx 1.0 0.0 5.23 1902 1625 A 35 LYS HBx A 35 LYS HEx 1.0 0.0 5.23 1903 1625 A 35 LYS HEy A 35 LYS HBx 1.0 0.0 5.23 1904 1625 A 35 LYS HEy A 35 LYS HBy 1.0 0.0 5.23 1905 1626 A 36 ASN H A 35 LYS HBx 1.0 0.0 4.09 1906 1626 A 36 ASN H A 35 LYS HBy 1.0 0.0 4.09 1907 1627 A 44 ALA H A 35 LYS HBx 1.0 0.0 4.18 1908 1627 A 44 ALA H A 35 LYS HBy 1.0 0.0 4.18 1909 1628 A 44 ALA HA A 35 LYS HBx 1.0 0.0 4.21 1910 1628 A 44 ALA HA A 35 LYS HBy 1.0 0.0 4.21 1911 1629 A 36 ASN H A 35 LYS HGy 1.0 0.0 6.04 1912 1629 A 36 ASN H A 35 LYS HGx 1.0 0.0 6.04 1913 1630 A 44 ALA HA A 35 LYS HGy 1.0 0.0 5.28 1914 1630 A 44 ALA HA A 35 LYS HGx 1.0 0.0 5.28 1915 1631 A 47 TYR HD% A 35 LYS HGy 1.0 0.0 5.85 1916 1631 A 47 TYR HD% A 35 LYS HGx 1.0 0.0 5.85 1917 1632 A 38 MET HE% A 35 LYS HDx 1.0 0.0 4.76 1918 1632 A 38 MET HE% A 35 LYS HDy 1.0 0.0 4.76 1919 1633 A 44 ALA H A 35 LYS HDx 1.0 0.0 6.10 1920 1633 A 44 ALA H A 35 LYS HDy 1.0 0.0 6.10 1921 1634 A 47 TYR HE% A 35 LYS HDx 1.0 0.0 6.10 1922 1634 A 47 TYR HE% A 35 LYS HDy 1.0 0.0 6.10 1923 1635 A 35 LYS HEx A 43 GLU HB2 1.0 0.0 4.79 1924 1635 A 35 LYS HEy A 43 GLU HB2 1.0 0.0 4.79 1925 1635 A 43 GLU HB3 A 35 LYS HEx 1.0 0.0 4.79 1926 1635 A 43 GLU HB3 A 35 LYS HEy 1.0 0.0 4.79 1927 1636 A 47 TYR HE% A 35 LYS HEx 1.0 0.0 3.58 1928 1636 A 47 TYR HE% A 35 LYS HEy 1.0 0.0 3.58 1929 1637 A 36 ASN H A 36 ASN HBx 1.0 0.0 3.39 1930 1637 A 36 ASN H A 36 ASN HBy 1.0 0.0 3.39 1931 1638 A 37 LYS H A 36 ASN HBx 1.0 0.0 3.75 1932 1638 A 37 LYS H A 36 ASN HBy 1.0 0.0 3.75 1933 1639 A 37 LYS HA A 36 ASN HBx 1.0 0.0 5.89 1934 1639 A 37 LYS HA A 36 ASN HBy 1.0 0.0 5.89 1935 1640 A 36 ASN HBy A 37 LYS HB2 1.0 0.0 6.10 1936 1640 A 36 ASN HBx A 37 LYS HB2 1.0 0.0 6.10 1937 1640 A 37 LYS HB3 A 36 ASN HBx 1.0 0.0 6.10 1938 1640 A 37 LYS HB3 A 36 ASN HBy 1.0 0.0 6.10 1939 1641 A 44 ALA HB% A 36 ASN HBx 1.0 0.0 3.64 1940 1641 A 44 ALA HB% A 36 ASN HBy 1.0 0.0 3.64 1941 1642 A 48 PHE HE% A 36 ASN HBx 1.0 0.0 4.56 1942 1642 A 48 PHE HE% A 36 ASN HBy 1.0 0.0 4.56 1943 1643 A 74 ALA HB% A 36 ASN HBx 1.0 0.0 5.97 1944 1643 A 74 ALA HB% A 36 ASN HBy 1.0 0.0 5.97 1945 1644 A 37 LYS H A 38 MET HGy 1.0 0.0 6.10 1946 1644 A 37 LYS H A 38 MET HGx 1.0 0.0 6.10 1947 1645 A 37 LYS HA A 37 LYS HGy 1.0 0.0 3.85 1948 1645 A 37 LYS HA A 37 LYS HGx 1.0 0.0 3.85 1949 1646 A 37 LYS HB3 A 38 MET HGy 1.0 0.0 4.26 1950 1646 A 37 LYS HB2 A 38 MET HGy 1.0 0.0 4.26 1951 1646 A 38 MET HGx A 37 LYS HB2 1.0 0.0 4.26 1952 1646 A 37 LYS HB3 A 38 MET HGx 1.0 0.0 4.26 1953 1647 A 38 MET H A 37 LYS HGy 1.0 0.0 5.25 1954 1647 A 38 MET H A 37 LYS HGx 1.0 0.0 5.25 1955 1648 A 38 MET H A 38 MET HGy 1.0 0.0 3.79 1956 1648 A 38 MET H A 38 MET HGx 1.0 0.0 3.79 1957 1649 A 38 MET H A 40 LYS HBy 1.0 0.0 6.10 1958 1649 A 38 MET H A 40 LYS HBx 1.0 0.0 6.10 1959 1650 A 38 MET HA A 38 MET HGy 1.0 0.0 3.81 1960 1650 A 38 MET HA A 38 MET HGx 1.0 0.0 3.81 1961 1651 A 38 MET HB3 A 40 LYS HEx 1.0 0.0 5.29 1962 1651 A 38 MET HB3 A 40 LYS HEy 1.0 0.0 5.29 1963 1652 A 38 MET HE% A 38 MET HGy 1.0 0.0 3.80 1964 1652 A 38 MET HE% A 38 MET HGx 1.0 0.0 3.80 1965 1653 A 39 GLY H A 38 MET HGy 1.0 0.0 5.45 1966 1653 A 39 GLY H A 38 MET HGx 1.0 0.0 5.45 1967 1654 A 38 MET HGy A 40 LYS HG2 1.0 0.0 5.93 1968 1654 A 38 MET HGx A 40 LYS HG2 1.0 0.0 5.93 1969 1654 A 40 LYS HG3 A 38 MET HGy 1.0 0.0 5.93 1970 1654 A 40 LYS HG3 A 38 MET HGx 1.0 0.0 5.93 1971 1655 A 39 GLY H A 40 LYS HBy 1.0 0.0 5.86 1972 1655 A 39 GLY H A 40 LYS HBx 1.0 0.0 5.86 1973 1656 A 40 LYS H A 40 LYS HBy 1.0 0.0 3.81 1974 1656 A 40 LYS H A 40 LYS HBx 1.0 0.0 3.81 1975 1657 A 40 LYS H A 40 LYS HEx 1.0 0.0 6.10 1976 1657 A 40 LYS H A 40 LYS HEy 1.0 0.0 6.10 1977 1658 A 40 LYS HA A 40 LYS HDx 1.0 0.0 4.64 1978 1658 A 40 LYS HA A 40 LYS HDy 1.0 0.0 4.64 1979 1659 A 40 LYS HBy A 40 LYS HEx 1.0 0.0 5.24 1980 1659 A 40 LYS HBx A 40 LYS HEx 1.0 0.0 5.24 1981 1659 A 40 LYS HEy A 40 LYS HBy 1.0 0.0 5.24 1982 1659 A 40 LYS HBx A 40 LYS HEy 1.0 0.0 5.24 1983 1660 A 40 LYS HEx A 40 LYS HG2 1.0 0.0 3.48 1984 1660 A 40 LYS HEy A 40 LYS HG2 1.0 0.0 3.48 1985 1660 A 40 LYS HG3 A 40 LYS HEx 1.0 0.0 3.48 1986 1660 A 40 LYS HG3 A 40 LYS HEy 1.0 0.0 3.48 1987 1661 A 41 ALA H A 42 ARG HBy 1.0 0.0 5.25 1988 1661 A 41 ALA H A 42 ARG HBx 1.0 0.0 5.25 1989 1662 A 41 ALA H A 78 ILE HG1y 1.0 0.0 5.96 1990 1662 A 41 ALA H A 78 ILE HG1x 1.0 0.0 5.96 1991 1663 A 41 ALA HB% A 78 ILE HG1y 1.0 0.0 3.48 1992 1663 A 41 ALA HB% A 78 ILE HG1x 1.0 0.0 3.48 1993 1664 A 42 ARG H A 42 ARG HGy 1.0 0.0 4.71 1994 1664 A 42 ARG H A 42 ARG HGx 1.0 0.0 4.71 1995 1665 A 42 ARG H A 42 ARG HDy 1.0 0.0 5.71 1996 1665 A 42 ARG H A 42 ARG HDx 1.0 0.0 5.71 1997 1666 A 42 ARG H A 78 ILE HG1y 1.0 0.0 4.87 1998 1666 A 42 ARG H A 78 ILE HG1x 1.0 0.0 4.87 1999 1667 A 42 ARG HA A 78 ILE HG1y 1.0 0.0 5.12 2000 1667 A 42 ARG HA A 78 ILE HG1x 1.0 0.0 5.12 2001 1668 A 43 GLU H A 42 ARG HBy 1.0 0.0 3.66 2002 1668 A 43 GLU H A 42 ARG HBx 1.0 0.0 3.66 2003 1669 A 78 ILE HD1% A 42 ARG HBy 1.0 0.0 5.11 2004 1669 A 78 ILE HD1% A 42 ARG HBx 1.0 0.0 5.11 2005 1670 A 83 GLY H A 42 ARG HBy 1.0 0.0 5.62 2006 1670 A 83 GLY H A 42 ARG HBx 1.0 0.0 5.62 2007 1671 A 78 ILE HD1% A 42 ARG HGy 1.0 0.0 5.42 2008 1671 A 78 ILE HD1% A 42 ARG HGx 1.0 0.0 5.42 2009 1672 A 45 ALA HB% A 42 ARG HDy 1.0 0.0 4.87 2010 1672 A 45 ALA HB% A 42 ARG HDx 1.0 0.0 4.87 2011 1673 A 78 ILE HD1% A 42 ARG HDy 1.0 0.0 4.27 2012 1673 A 78 ILE HD1% A 42 ARG HDx 1.0 0.0 4.27 2013 1674 A 87 ALA HA A 42 ARG HDy 1.0 0.0 6.10 2014 1674 A 87 ALA HA A 42 ARG HDx 1.0 0.0 6.10 2015 1675 A 87 ALA HB% A 42 ARG HDy 1.0 0.0 5.30 2016 1675 A 87 ALA HB% A 42 ARG HDx 1.0 0.0 5.30 2017 1676 A 43 GLU H A 43 GLU HGy 1.0 0.0 3.76 2018 1676 A 43 GLU H A 43 GLU HGx 1.0 0.0 3.76 2019 1677 A 43 GLU HA A 43 GLU HGy 1.0 0.0 3.69 2020 1677 A 43 GLU HA A 43 GLU HGx 1.0 0.0 3.69 2021 1678 A 43 GLU HA A 46 GLU HGy 1.0 0.0 5.00 2022 1678 A 43 GLU HA A 46 GLU HGx 1.0 0.0 5.00 2023 1679 A 44 ALA H A 43 GLU HGy 1.0 0.0 4.96 2024 1679 A 44 ALA H A 43 GLU HGx 1.0 0.0 4.96 2025 1680 A 47 TYR HD% A 43 GLU HGy 1.0 0.0 5.76 2026 1680 A 47 TYR HD% A 43 GLU HGx 1.0 0.0 5.76 2027 1681 A 47 TYR HE% A 43 GLU HGy 1.0 0.0 5.53 2028 1681 A 47 TYR HE% A 43 GLU HGx 1.0 0.0 5.53 2029 1682 A 46 GLU H A 46 GLU HGy 1.0 0.0 3.99 2030 1682 A 46 GLU H A 46 GLU HGx 1.0 0.0 3.99 2031 1683 A 47 TYR H A 46 GLU HGy 1.0 0.0 5.60 2032 1683 A 47 TYR H A 46 GLU HGx 1.0 0.0 5.60 2033 1684 A 47 TYR HD% A 46 GLU HGy 1.0 0.0 6.06 2034 1684 A 47 TYR HD% A 46 GLU HGx 1.0 0.0 6.06 2035 1685 A 90 MET HE% A 46 GLU HGy 1.0 0.0 3.76 2036 1685 A 90 MET HE% A 46 GLU HGx 1.0 0.0 3.76 2037 1686 A 47 TYR HA A 50 ARG HGy 1.0 0.0 5.34 2038 1686 A 47 TYR HA A 50 ARG HGx 1.0 0.0 5.34 2039 1687 A 47 TYR HA A 50 ARG HDx 1.0 0.0 4.49 2040 1687 A 47 TYR HA A 50 ARG HDy 1.0 0.0 4.49 2041 1688 A 48 PHE HD% A 70 SER HBy 1.0 0.0 4.76 2042 1688 A 48 PHE HD% A 70 SER HBx 1.0 0.0 4.76 2043 1689 A 48 PHE HE% A 70 SER HBy 1.0 0.0 4.80 2044 1689 A 48 PHE HE% A 70 SER HBx 1.0 0.0 4.80 2045 1690 A 48 PHE HZ A 70 SER HBy 1.0 0.0 5.69 2046 1690 A 48 PHE HZ A 70 SER HBx 1.0 0.0 5.69 2047 1691 A 49 PHE HD% A 50 ARG HGy 1.0 0.0 6.10 2048 1691 A 49 PHE HD% A 50 ARG HGx 1.0 0.0 6.10 2049 1692 A 49 PHE HZ A 93 LYS HGy 1.0 0.0 4.74 2050 1692 A 49 PHE HZ A 93 LYS HGx 1.0 0.0 4.74 2051 1693 A 49 PHE HZ A 93 LYS HDy 1.0 0.0 4.32 2052 1693 A 49 PHE HZ A 93 LYS HDx 1.0 0.0 4.32 2053 1694 A 50 ARG H A 50 ARG HGy 1.0 0.0 3.70 2054 1694 A 50 ARG H A 50 ARG HGx 1.0 0.0 3.70 2055 1695 A 50 ARG H A 50 ARG HDx 1.0 0.0 5.05 2056 1695 A 50 ARG H A 50 ARG HDy 1.0 0.0 5.05 2057 1696 A 50 ARG HA A 50 ARG HGy 1.0 0.0 3.78 2058 1696 A 50 ARG HA A 50 ARG HGx 1.0 0.0 3.78 2059 1697 A 53 ILE HD1% A 50 ARG HGy 1.0 0.0 5.31 2060 1697 A 53 ILE HD1% A 50 ARG HGx 1.0 0.0 5.31 2061 1698 A 53 ILE HG2% A 57 LYS HGy 1.0 0.0 4.67 2062 1698 A 53 ILE HG2% A 57 LYS HGx 1.0 0.0 4.67 2063 1699 A 54 VAL HA A 57 LYS HGy 1.0 0.0 5.02 2064 1699 A 54 VAL HA A 57 LYS HGx 1.0 0.0 5.02 2065 1700 A 54 VAL HGx% A 58 GLU HBx 1.0 0.0 4.66 2066 1700 A 54 VAL HGx% A 58 GLU HBy 1.0 0.0 4.66 2067 1701 A 54 VAL HGx% A 58 GLU HGx 1.0 0.0 4.56 2068 1701 A 54 VAL HGx% A 58 GLU HGy 1.0 0.0 4.56 2069 1702 A 55 PHE HA A 58 GLU HBx 1.0 0.0 4.76 2070 1702 A 55 PHE HA A 58 GLU HBy 1.0 0.0 4.76 2071 1703 A 56 TYR HE% A 101 GLU HGy 1.0 0.0 3.72 2072 1703 A 56 TYR HE% A 101 GLU HGx 1.0 0.0 3.72 2073 1704 A 57 LYS H A 57 LYS HGy 1.0 0.0 4.36 2074 1704 A 57 LYS H A 57 LYS HGx 1.0 0.0 4.36 2075 1705 A 58 GLU H A 57 LYS HGy 1.0 0.0 6.10 2076 1705 A 58 GLU H A 57 LYS HGx 1.0 0.0 6.10 2077 1706 A 58 GLU HA A 57 LYS HGy 1.0 0.0 5.49 2078 1706 A 57 LYS HGx A 58 GLU HA 1.0 0.0 5.49 2079 1707 A 58 GLU H A 58 GLU HBx 1.0 0.0 3.63 2080 1707 A 58 GLU H A 58 GLU HBy 1.0 0.0 3.63 2081 1708 A 58 GLU H A 58 GLU HGx 1.0 0.0 4.64 2082 1708 A 58 GLU H A 58 GLU HGy 1.0 0.0 4.64 2083 1709 A 58 GLU HA A 58 GLU HGx 1.0 0.0 3.83 2084 1709 A 58 GLU HGy A 58 GLU HA 1.0 0.0 3.83 2085 1710 A 59 HIS H A 58 GLU HBx 1.0 0.0 4.55 2086 1710 A 59 HIS H A 58 GLU HBy 1.0 0.0 4.55 2087 1711 A 60 ASP HB2 A 58 GLU HBx 1.0 0.0 6.01 2088 1711 A 60 ASP HB2 A 58 GLU HBy 1.0 0.0 6.01 2089 1712 A 60 ASP HB3 A 58 GLU HBx 1.0 0.0 5.69 2090 1712 A 60 ASP HB3 A 58 GLU HBy 1.0 0.0 5.69 2091 1713 A 61 THR H A 101 GLU HGy 1.0 0.0 5.80 2092 1713 A 61 THR H A 101 GLU HGx 1.0 0.0 5.80 2093 1714 A 61 THR HB A 102 GLN HGy 1.0 0.0 6.10 2094 1714 A 61 THR HB A 102 GLN HGx 1.0 0.0 6.10 2095 1715 A 61 THR HG2% A 65 ARG HDy 1.0 0.0 5.48 2096 1715 A 61 THR HG2% A 65 ARG HDx 1.0 0.0 5.48 2097 1716 A 61 THR HG2% A 101 GLU HBx 1.0 0.0 3.79 2098 1716 A 61 THR HG2% A 101 GLU HBy 1.0 0.0 3.79 2099 1717 A 61 THR HG2% A 101 GLU HGy 1.0 0.0 4.33 2100 1717 A 61 THR HG2% A 101 GLU HGx 1.0 0.0 4.33 2101 1718 A 61 THR HG2% A 102 GLN HGy 1.0 0.0 4.70 2102 1718 A 61 THR HG2% A 102 GLN HGx 1.0 0.0 4.70 2103 1719 A 62 ASP H A 62 ASP HBx 1.0 0.0 3.28 2104 1719 A 62 ASP H A 62 ASP HBy 1.0 0.0 3.28 2105 1720 A 62 ASP HA A 65 ARG HDy 1.0 0.0 4.89 2106 1720 A 62 ASP HA A 65 ARG HDx 1.0 0.0 4.89 2107 1721 A 64 LEU HDy% A 101 GLU HBx 1.0 0.0 5.73 2108 1721 A 64 LEU HDy% A 101 GLU HBy 1.0 0.0 5.73 2109 1722 A 64 LEU HDy% A 101 GLU HGy 1.0 0.0 4.50 2110 1722 A 64 LEU HDy% A 101 GLU HGx 1.0 0.0 4.50 2111 1723 A 65 ARG H A 65 ARG HGx 1.0 0.0 4.90 2112 1723 A 65 ARG H A 65 ARG HGy 1.0 0.0 4.90 2113 1724 A 65 ARG H A 65 ARG HDy 1.0 0.0 6.03 2114 1724 A 65 ARG H A 65 ARG HDx 1.0 0.0 6.03 2115 1725 A 65 ARG HA A 65 ARG HGx 1.0 0.0 3.66 2116 1725 A 65 ARG HA A 65 ARG HGy 1.0 0.0 3.66 2117 1726 A 66 ARG H A 65 ARG HGx 1.0 0.0 5.15 2118 1726 A 66 ARG H A 65 ARG HGy 1.0 0.0 5.15 2119 1727 A 66 ARG H A 65 ARG HDy 1.0 0.0 5.94 2120 1727 A 66 ARG H A 65 ARG HDx 1.0 0.0 5.94 2121 1728 A 98 LEU HDx% A 65 ARG HDy 1.0 0.0 4.55 2122 1728 A 98 LEU HDx% A 65 ARG HDx 1.0 0.0 4.55 2123 1729 A 98 LEU HDy% A 65 ARG HDy 1.0 0.0 5.31 2124 1729 A 98 LEU HDy% A 65 ARG HDx 1.0 0.0 5.31 2125 1730 A 66 ARG H A 66 ARG HGy 1.0 0.0 4.33 2126 1730 A 66 ARG H A 66 ARG HGx 1.0 0.0 4.33 2127 1731 A 66 ARG H A 66 ARG HDy 1.0 0.0 6.01 2128 1731 A 66 ARG H A 66 ARG HDx 1.0 0.0 6.01 2129 1732 A 66 ARG HA A 66 ARG HGy 1.0 0.0 3.91 2130 1732 A 66 ARG HA A 66 ARG HGx 1.0 0.0 3.91 2131 1733 A 66 ARG HA A 66 ARG HDy 1.0 0.0 4.75 2132 1733 A 66 ARG HA A 66 ARG HDx 1.0 0.0 4.75 2133 1734 A 66 ARG HB2 A 66 ARG HDy 1.0 0.0 3.43 2134 1734 A 66 ARG HB3 A 66 ARG HDy 1.0 0.0 3.43 2135 1734 A 66 ARG HDx A 66 ARG HB2 1.0 0.0 3.43 2136 1734 A 66 ARG HB3 A 66 ARG HDx 1.0 0.0 3.43 2137 1735 A 67 ALA H A 66 ARG HGy 1.0 0.0 5.08 2138 1735 A 67 ALA H A 66 ARG HGx 1.0 0.0 5.08 2139 1736 A 67 ALA HA A 70 SER HBy 1.0 0.0 4.53 2140 1736 A 67 ALA HA A 70 SER HBx 1.0 0.0 4.53 2141 1737 A 68 ALA HB% A 95 GLU HGx 1.0 0.0 4.74 2142 1737 A 68 ALA HB% A 95 GLU HGy 1.0 0.0 4.74 2143 1738 A 70 SER H A 70 SER HBy 1.0 0.0 3.64 2144 1738 A 70 SER H A 70 SER HBx 1.0 0.0 3.64 2145 1739 A 70 SER HA A 73 GLU HGy 1.0 0.0 5.67 2146 1739 A 70 SER HA A 73 GLU HGx 1.0 0.0 5.67 2147 1740 A 71 LEU H A 70 SER HBy 1.0 0.0 4.17 2148 1740 A 71 LEU H A 70 SER HBx 1.0 0.0 4.17 2149 1741 A 72 LYS H A 73 GLU HGy 1.0 0.0 5.54 2150 1741 A 72 LYS H A 73 GLU HGx 1.0 0.0 5.54 2151 1742 A 72 LYS HA A 72 LYS HGy 1.0 0.0 3.77 2152 1742 A 72 LYS HA A 72 LYS HGx 1.0 0.0 3.77 2153 1743 A 72 LYS HA A 75 ILE HG1y 1.0 0.0 5.13 2154 1743 A 72 LYS HA A 75 ILE HG1x 1.0 0.0 5.13 2155 1744 A 73 GLU H A 72 LYS HGy 1.0 0.0 5.26 2156 1744 A 73 GLU H A 72 LYS HGx 1.0 0.0 5.26 2157 1745 A 73 GLU H A 73 GLU HGy 1.0 0.0 3.59 2158 1745 A 73 GLU H A 73 GLU HGx 1.0 0.0 3.59 2159 1746 A 73 GLU HA A 73 GLU HGy 1.0 0.0 3.66 2160 1746 A 73 GLU HA A 73 GLU HGx 1.0 0.0 3.66 2161 1747 A 74 ALA H A 73 GLU HGy 1.0 0.0 4.96 2162 1747 A 74 ALA H A 73 GLU HGx 1.0 0.0 4.96 2163 1748 A 75 ILE H A 75 ILE HG1y 1.0 0.0 3.66 2164 1748 A 75 ILE H A 75 ILE HG1x 1.0 0.0 3.66 2165 1749 A 75 ILE HA A 75 ILE HG1y 1.0 0.0 3.89 2166 1749 A 75 ILE HA A 75 ILE HG1x 1.0 0.0 3.89 2167 1750 A 75 ILE HA A 78 ILE HG1y 1.0 0.0 5.06 2168 1750 A 75 ILE HA A 78 ILE HG1x 1.0 0.0 5.06 2169 1751 A 75 ILE HG2% A 84 ARG HDy 1.0 0.0 4.20 2170 1751 A 75 ILE HG2% A 84 ARG HDx 1.0 0.0 4.20 2171 1752 A 75 ILE HG2% A 88 LYS HGy 1.0 0.0 4.02 2172 1752 A 75 ILE HG2% A 88 LYS HGx 1.0 0.0 4.02 2173 1753 A 75 ILE HG2% A 88 LYS HEx 1.0 0.0 4.25 2174 1753 A 75 ILE HG2% A 88 LYS HEy 1.0 0.0 4.25 2175 1754 A 88 LYS HA A 75 ILE HG1y 1.0 0.0 5.40 2176 1754 A 88 LYS HA A 75 ILE HG1x 1.0 0.0 5.40 2177 1755 A 91 ALA HB% A 75 ILE HG1y 1.0 0.0 3.81 2178 1755 A 91 ALA HB% A 75 ILE HG1x 1.0 0.0 3.81 2179 1756 A 75 ILE HD1% A 88 LYS HEx 1.0 0.0 5.37 2180 1756 A 75 ILE HD1% A 88 LYS HEy 1.0 0.0 5.37 2181 1757 A 76 THR HA A 84 ARG HDy 1.0 0.0 5.64 2182 1757 A 76 THR HA A 84 ARG HDx 1.0 0.0 5.64 2183 1758 A 77 ALA H A 78 ILE HG1y 1.0 0.0 4.84 2184 1758 A 77 ALA H A 78 ILE HG1x 1.0 0.0 4.84 2185 1759 A 78 ILE H A 78 ILE HG1y 1.0 0.0 3.65 2186 1759 A 78 ILE H A 78 ILE HG1x 1.0 0.0 3.65 2187 1760 A 78 ILE HA A 79 PRO HDx 1.0 0.0 3.60 2188 1760 A 78 ILE HA A 79 PRO HDy 1.0 0.0 3.60 2189 1761 A 78 ILE HB A 79 PRO HDx 1.0 0.0 5.27 2190 1761 A 78 ILE HB A 79 PRO HDy 1.0 0.0 5.27 2191 1762 A 78 ILE HG2% A 78 ILE HG1y 1.0 0.0 3.58 2192 1762 A 78 ILE HG2% A 78 ILE HG1x 1.0 0.0 3.58 2193 1763 A 78 ILE HG2% A 79 PRO HDx 1.0 0.0 3.81 2194 1763 A 78 ILE HG2% A 79 PRO HDy 1.0 0.0 3.81 2195 1764 A 78 ILE HG1y A 79 PRO HDx 1.0 0.0 5.80 2196 1764 A 78 ILE HG1x A 79 PRO HDx 1.0 0.0 5.80 2197 1764 A 79 PRO HDy A 78 ILE HG1y 1.0 0.0 5.80 2198 1764 A 78 ILE HG1x A 79 PRO HDy 1.0 0.0 5.80 2199 1765 A 78 ILE HD1% A 79 PRO HDx 1.0 0.0 4.99 2200 1765 A 78 ILE HD1% A 79 PRO HDy 1.0 0.0 4.99 2201 1766 A 83 GLY H A 86 GLU HGy 1.0 0.0 5.16 2202 1766 A 83 GLY H A 86 GLU HGx 1.0 0.0 5.16 2203 1767 A 83 GLY HA3 A 86 GLU HBx 1.0 0.0 4.14 2204 1767 A 83 GLY HA2 A 86 GLU HBx 1.0 0.0 4.14 2205 1767 A 86 GLU HBy A 83 GLY HA2 1.0 0.0 4.14 2206 1767 A 83 GLY HA3 A 86 GLU HBy 1.0 0.0 4.14 2207 1768 A 83 GLY HA2 A 86 GLU HGy 1.0 0.0 4.61 2208 1768 A 83 GLY HA3 A 86 GLU HGy 1.0 0.0 4.61 2209 1768 A 86 GLU HGx A 83 GLY HA2 1.0 0.0 4.61 2210 1768 A 83 GLY HA3 A 86 GLU HGx 1.0 0.0 4.61 2211 1769 A 84 ARG HBx A 84 ARG HDy 1.0 0.0 3.33 2212 1769 A 84 ARG HBy A 84 ARG HDy 1.0 0.0 3.33 2213 1769 A 84 ARG HDx A 84 ARG HBx 1.0 0.0 3.33 2214 1769 A 84 ARG HDx A 84 ARG HBy 1.0 0.0 3.33 2215 1770 A 87 ALA H A 86 GLU HGy 1.0 0.0 4.95 2216 1770 A 87 ALA H A 86 GLU HGx 1.0 0.0 4.95 2217 1771 A 87 ALA HA A 86 GLU HGy 1.0 0.0 4.23 2218 1771 A 87 ALA HA A 86 GLU HGx 1.0 0.0 4.23 2219 1772 A 88 LYS H A 88 LYS HBy 1.0 0.0 3.73 2220 1772 A 88 LYS H A 88 LYS HBx 1.0 0.0 3.73 2221 1773 A 88 LYS H A 88 LYS HGy 1.0 0.0 4.40 2222 1773 A 88 LYS H A 88 LYS HGx 1.0 0.0 4.40 2223 1774 A 88 LYS HA A 88 LYS HGy 1.0 0.0 3.31 2224 1774 A 88 LYS HA A 88 LYS HGx 1.0 0.0 3.31 2225 1775 A 88 LYS HA A 88 LYS HEx 1.0 0.0 5.51 2226 1775 A 88 LYS HA A 88 LYS HEy 1.0 0.0 5.51 2227 1776 A 88 LYS HBx A 88 LYS HEx 1.0 0.0 4.68 2228 1776 A 88 LYS HBy A 88 LYS HEx 1.0 0.0 4.68 2229 1776 A 88 LYS HEy A 88 LYS HBy 1.0 0.0 4.68 2230 1776 A 88 LYS HEy A 88 LYS HBx 1.0 0.0 4.68 2231 1777 A 89 GLU H A 88 LYS HBy 1.0 0.0 3.81 2232 1777 A 89 GLU H A 88 LYS HBx 1.0 0.0 3.81 2233 1778 A 88 LYS HEy A 88 LYS HGy 1.0 0.0 3.44 2234 1778 A 88 LYS HEx A 88 LYS HGy 1.0 0.0 3.44 2235 1778 A 88 LYS HGx A 88 LYS HEx 1.0 0.0 3.44 2236 1778 A 88 LYS HGx A 88 LYS HEy 1.0 0.0 3.44 2237 1779 A 89 GLU H A 88 LYS HGy 1.0 0.0 5.05 2238 1779 A 89 GLU H A 88 LYS HGx 1.0 0.0 5.05 2239 1780 A 91 ALA HB% A 88 LYS HEx 1.0 0.0 5.01 2240 1780 A 91 ALA HB% A 88 LYS HEy 1.0 0.0 5.01 2241 1781 A 89 GLU H A 89 GLU HBy 1.0 0.0 3.44 2242 1781 A 89 GLU H A 89 GLU HBx 1.0 0.0 3.44 2243 1782 A 89 GLU H A 89 GLU HGy 1.0 0.0 4.02 2244 1782 A 89 GLU H A 89 GLU HGx 1.0 0.0 4.02 2245 1783 A 89 GLU HA A 89 GLU HGy 1.0 0.0 3.54 2246 1783 A 89 GLU HGx A 89 GLU HA 1.0 0.0 3.54 2247 1784 A 90 MET H A 89 GLU HBy 1.0 0.0 4.17 2248 1784 A 90 MET H A 89 GLU HBx 1.0 0.0 4.17 2249 1785 A 90 MET HA A 93 LYS HGy 1.0 0.0 4.90 2250 1785 A 90 MET HA A 93 LYS HGx 1.0 0.0 4.90 2251 1786 A 92 LYS H A 92 LYS HGy 1.0 0.0 4.68 2252 1786 A 92 LYS H A 92 LYS HGx 1.0 0.0 4.68 2253 1787 A 92 LYS H A 93 LYS HGy 1.0 0.0 6.10 2254 1787 A 92 LYS H A 93 LYS HGx 1.0 0.0 6.10 2255 1788 A 92 LYS HA A 92 LYS HGy 1.0 0.0 3.58 2256 1788 A 92 LYS HA A 92 LYS HGx 1.0 0.0 3.58 2257 1789 A 93 LYS H A 93 LYS HGy 1.0 0.0 4.09 2258 1789 A 93 LYS H A 93 LYS HGx 1.0 0.0 4.09 2259 1790 A 93 LYS HA A 93 LYS HGy 1.0 0.0 3.79 2260 1790 A 93 LYS HA A 93 LYS HGx 1.0 0.0 3.79 2261 1791 A 93 LYS HA A 93 LYS HDy 1.0 0.0 4.14 2262 1791 A 93 LYS HA A 93 LYS HDx 1.0 0.0 4.14 2263 1792 A 93 LYS HA A 96 GLU HBy 1.0 0.0 4.07 2264 1792 A 93 LYS HA A 96 GLU HBx 1.0 0.0 4.07 2265 1793 A 93 LYS HA A 96 GLU HGx 1.0 0.0 4.65 2266 1793 A 93 LYS HA A 96 GLU HGy 1.0 0.0 4.65 2267 1794 A 94 ALA H A 93 LYS HGy 1.0 0.0 5.45 2268 1794 A 94 ALA H A 93 LYS HGx 1.0 0.0 5.45 2269 1795 A 97 TRP HE1 A 93 LYS HGy 1.0 0.0 5.94 2270 1795 A 97 TRP HE1 A 93 LYS HGx 1.0 0.0 5.94 2271 1796 A 97 TRP HZ2 A 93 LYS HGy 1.0 0.0 4.55 2272 1796 A 97 TRP HZ2 A 93 LYS HGx 1.0 0.0 4.55 2273 1797 A 97 TRP HE1 A 93 LYS HDy 1.0 0.0 4.96 2274 1797 A 97 TRP HE1 A 93 LYS HDx 1.0 0.0 4.96 2275 1798 A 97 TRP HZ2 A 93 LYS HDy 1.0 0.0 3.89 2276 1798 A 97 TRP HZ2 A 93 LYS HDx 1.0 0.0 3.89 2277 1799 A 97 TRP HH2 A 93 LYS HDy 1.0 0.0 5.44 2278 1799 A 97 TRP HH2 A 93 LYS HDx 1.0 0.0 5.44 2279 1800 A 95 GLU H A 95 GLU HGx 1.0 0.0 3.98 2280 1800 A 95 GLU H A 95 GLU HGy 1.0 0.0 3.98 2281 1801 A 95 GLU HA A 98 LEU HBx 1.0 0.0 3.54 2282 1801 A 95 GLU HA A 98 LEU HBy 1.0 0.0 3.54 2283 1802 A 95 GLU HB3 A 99 GLN HE2y 1.0 0.0 5.72 2284 1802 A 95 GLU HB2 A 99 GLN HE2y 1.0 0.0 5.72 2285 1802 A 99 GLN HE2x A 95 GLU HB2 1.0 0.0 5.72 2286 1802 A 95 GLU HB3 A 99 GLN HE2x 1.0 0.0 5.72 2287 1803 A 96 GLU H A 96 GLU HBy 1.0 0.0 3.78 2288 1803 A 96 GLU H A 96 GLU HBx 1.0 0.0 3.78 2289 1804 A 96 GLU H A 96 GLU HGx 1.0 0.0 3.75 2290 1804 A 96 GLU H A 96 GLU HGy 1.0 0.0 3.75 2291 1805 A 96 GLU HA A 99 GLN HGy 1.0 0.0 4.75 2292 1805 A 96 GLU HA A 99 GLN HGx 1.0 0.0 4.75 2293 1806 A 96 GLU HA A 99 GLN HE2y 1.0 0.0 6.10 2294 1806 A 96 GLU HA A 99 GLN HE2x 1.0 0.0 6.10 2295 1807 A 97 TRP HD1 A 96 GLU HBy 1.0 0.0 4.03 2296 1807 A 97 TRP HD1 A 96 GLU HBx 1.0 0.0 4.03 2297 1808 A 97 TRP HE1 A 96 GLU HBy 1.0 0.0 5.79 2298 1808 A 97 TRP HE1 A 96 GLU HBx 1.0 0.0 5.79 2299 1809 A 97 TRP H A 96 GLU HGx 1.0 0.0 5.42 2300 1809 A 97 TRP H A 96 GLU HGy 1.0 0.0 5.42 2301 1810 A 97 TRP HD1 A 96 GLU HGx 1.0 0.0 5.91 2302 1810 A 97 TRP HD1 A 96 GLU HGy 1.0 0.0 5.91 2303 1811 A 98 LEU H A 98 LEU HBx 1.0 0.0 3.32 2304 1811 A 98 LEU H A 98 LEU HBy 1.0 0.0 3.32 2305 1812 A 98 LEU HA A 101 GLU HBx 1.0 0.0 4.79 2306 1812 A 98 LEU HA A 101 GLU HBy 1.0 0.0 4.79 2307 1813 A 98 LEU HA A 101 GLU HGy 1.0 0.0 5.63 2308 1813 A 98 LEU HA A 101 GLU HGx 1.0 0.0 5.63 2309 1814 A 98 LEU HA A 102 GLN HGy 1.0 0.0 6.10 2310 1814 A 98 LEU HA A 102 GLN HGx 1.0 0.0 6.10 2311 1815 A 98 LEU HDy% A 98 LEU HBx 1.0 0.0 3.32 2312 1815 A 98 LEU HDy% A 98 LEU HBy 1.0 0.0 3.32 2313 1816 A 99 GLN H A 98 LEU HBx 1.0 0.0 4.43 2314 1816 A 99 GLN H A 98 LEU HBy 1.0 0.0 4.43 2315 1817 A 98 LEU HBy A 99 GLN HGy 1.0 0.0 5.26 2316 1817 A 98 LEU HBx A 99 GLN HGy 1.0 0.0 5.26 2317 1817 A 99 GLN HGx A 98 LEU HBx 1.0 0.0 5.26 2318 1817 A 98 LEU HBy A 99 GLN HGx 1.0 0.0 5.26 2319 1818 A 98 LEU HG A 102 GLN HGy 1.0 0.0 5.38 2320 1818 A 98 LEU HG A 102 GLN HGx 1.0 0.0 5.38 2321 1819 A 98 LEU HDx% A 99 GLN HGy 1.0 0.0 6.10 2322 1819 A 98 LEU HDx% A 99 GLN HGx 1.0 0.0 6.10 2323 1820 A 98 LEU HDy% A 99 GLN HE2y 1.0 0.0 5.96 2324 1820 A 98 LEU HDy% A 99 GLN HE2x 1.0 0.0 5.96 2325 1821 A 99 GLN H A 99 GLN HGy 1.0 0.0 3.98 2326 1821 A 99 GLN H A 99 GLN HGx 1.0 0.0 3.98 2327 1822 A 99 GLN HA A 99 GLN HGy 1.0 0.0 3.78 2328 1822 A 99 GLN HGx A 99 GLN HA 1.0 0.0 3.78 2329 1823 A 100 ALA H A 99 GLN HGy 1.0 0.0 5.06 2330 1823 A 100 ALA H A 99 GLN HGx 1.0 0.0 5.06 2331 1824 A 100 ALA HB% A 101 GLU HGy 1.0 0.0 5.69 2332 1824 A 100 ALA HB% A 101 GLU HGx 1.0 0.0 5.69 2333 1825 A 101 GLU H A 101 GLU HBx 1.0 0.0 3.39 2334 1825 A 101 GLU H A 101 GLU HBy 1.0 0.0 3.39 2335 1826 A 101 GLU H A 101 GLU HGy 1.0 0.0 3.69 2336 1826 A 101 GLU H A 101 GLU HGx 1.0 0.0 3.69 2337 1827 A 102 GLN H A 102 GLN HBy 1.0 0.0 3.65 2338 1827 A 102 GLN H A 102 GLN HBx 1.0 0.0 3.65 2339 1828 A 102 GLN H A 102 GLN HGy 1.0 0.0 4.30 2340 1828 A 102 GLN H A 102 GLN HGx 1.0 0.0 4.30 2341 1829 A 102 GLN HA A 102 GLN HGy 1.0 0.0 3.77 2342 1829 A 102 GLN HA A 102 GLN HGx 1.0 0.0 3.77 2343 1830 A 102 GLN HE21 A 102 GLN HBy 1.0 0.0 5.25 2344 1830 A 102 GLN HE21 A 102 GLN HBx 1.0 0.0 5.25 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 3 GLU C A 4 ASN N A 4 ASN CA A 4 ASN C 1.0 -81.4 -52.4 PHI 2 2 A 4 ASN N A 4 ASN CA A 4 ASN C A 5 ILE N 1.0 -47.8 -17.0 PSI 3 3 A 4 ASN C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -77.5 -57.5 PHI 4 4 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 ALA N 1.0 -55.9 -24.3 PSI 5 5 A 5 ILE C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -75.7 -55.7 PHI 6 6 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 LYS N 1.0 -49.0 -26.2 PSI 7 7 A 6 ALA C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -76.9 -56.9 PHI 8 8 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 PHE N 1.0 -52.5 -27.1 PSI 9 9 A 7 LYS C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -77.5 -57.3 PHI 10 10 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 GLU N 1.0 -49.0 -23.4 PSI 11 11 A 26 ARG C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -74.7 -54.7 PHI 12 12 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 LEU N 1.0 -51.9 -31.9 PSI 13 13 A 27 ALA C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -75.1 -55.1 PHI 14 14 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 TYR N 1.0 -52.5 -32.5 PSI 15 15 A 28 LEU C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -72.8 -51.0 PHI 16 16 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 ASN N 1.0 -55.6 -33.4 PSI 17 17 A 29 TYR C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -73.8 -53.8 PHI 18 18 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 ILE N 1.0 -47.8 -27.8 PSI 19 19 A 30 ASN C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -75.2 -55.2 PHI 20 20 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 GLY N 1.0 -54.5 -34.5 PSI 21 21 A 31 ILE C A 32 GLY N A 32 GLY CA A 32 GLY C 1.0 -73.5 -53.5 PHI 22 22 A 32 GLY N A 32 GLY CA A 32 GLY C A 33 LEU N 1.0 -52.2 -32.2 PSI 23 23 A 32 GLY C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -75.7 -55.7 PHI 24 24 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 GLU N 1.0 -50.4 -30.4 PSI 25 25 A 33 LEU C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -77.9 -57.9 PHI 26 26 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 LYS N 1.0 -50.8 -27.8 PSI 27 27 A 34 GLU C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -76.6 -56.6 PHI 28 28 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ASN N 1.0 -49.0 -25.4 PSI 29 29 A 35 LYS C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -74.8 -54.8 PHI 30 30 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 LYS N 1.0 -48.9 -28.9 PSI 31 31 A 36 ASN C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -75.1 -55.1 PHI 32 32 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 MET N 1.0 -40.8 -13.8 PSI 33 33 A 37 LYS C A 38 MET N A 38 MET CA A 38 MET C 1.0 -102.0 -75.6 PHI 34 34 A 38 MET N A 38 MET CA A 38 MET C A 39 GLY N 1.0 -18.3 14.5 PSI 35 35 A 41 ALA C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -72.5 -52.5 PHI 36 36 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 GLU N 1.0 -53.7 -30.9 PSI 37 37 A 42 ARG C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -79.3 -59.3 PHI 38 38 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 ALA N 1.0 -49.3 -26.7 PSI 39 39 A 43 GLU C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -73.7 -53.7 PHI 40 40 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 ALA N 1.0 -53.6 -33.6 PSI 41 41 A 44 ALA C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -72.9 -52.9 PHI 42 42 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 GLU N 1.0 -50.1 -30.1 PSI 43 43 A 45 ALA C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -73.6 -53.6 PHI 44 44 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 TYR N 1.0 -53.3 -33.3 PSI 45 45 A 46 GLU C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -75.6 -55.6 PHI 46 46 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 PHE N 1.0 -52.5 -32.5 PSI 47 47 A 47 TYR C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -76.3 -56.3 PHI 48 48 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 PHE N 1.0 -48.5 -27.1 PSI 49 49 A 48 PHE C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -75.0 -55.0 PHI 50 50 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 ARG N 1.0 -53.0 -33.0 PSI 51 51 A 49 PHE C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -72.6 -52.6 PHI 52 52 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ALA N 1.0 -51.9 -31.9 PSI 53 53 A 50 ARG C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -74.9 -54.9 PHI 54 54 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ALA N 1.0 -50.4 -30.4 PSI 55 55 A 51 ALA C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -73.8 -53.8 PHI 56 56 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ILE N 1.0 -50.9 -30.9 PSI 57 57 A 52 ALA C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -73.8 -53.8 PHI 58 58 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 VAL N 1.0 -52.9 -32.9 PSI 59 59 A 53 ILE C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -75.0 -55.0 PHI 60 60 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 PHE N 1.0 -53.1 -33.1 PSI 61 61 A 54 VAL C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -75.3 -54.3 PHI 62 62 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 TYR N 1.0 -48.8 -28.8 PSI 63 63 A 55 PHE C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -76.3 -56.3 PHI 64 64 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 LYS N 1.0 -58.0 -24.8 PSI 65 65 A 56 TYR C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -75.1 -55.1 PHI 66 66 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 GLU N 1.0 -42.8 -21.6 PSI 67 67 A 57 LYS C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -103.5 -74.3 PHI 68 68 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 HIS N 1.0 -10.1 18.1 PSI 69 69 A 58 GLU C A 59 HIS N A 59 HIS CA A 59 HIS C 1.0 48.3 68.5 PHI 70 70 A 59 HIS N A 59 HIS CA A 59 HIS C A 60 ASP N 1.0 22.5 57.9 PSI 71 71 A 59 HIS C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -114.7 -82.3 PHI 72 72 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 THR N 1.0 63.1 101.3 PSI 73 73 A 60 ASP C A 61 THR N A 61 THR CA A 61 THR C 1.0 -75.1 -48.9 PHI 74 74 A 61 THR N A 61 THR CA A 61 THR C A 62 ASP N 1.0 -51.6 -25.4 PSI 75 75 A 61 THR C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -73.4 -53.4 PHI 76 76 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 GLY N 1.0 -57.7 -32.1 PSI 77 77 A 62 ASP C A 63 GLY N A 63 GLY CA A 63 GLY C 1.0 -74.8 -54.8 PHI 78 78 A 63 GLY N A 63 GLY CA A 63 GLY C A 64 LEU N 1.0 -51.7 -30.9 PSI 79 79 A 63 GLY C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -73.1 -53.1 PHI 80 80 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 ARG N 1.0 -54.3 -34.3 PSI 81 81 A 64 LEU C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -72.2 -52.2 PHI 82 82 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 ARG N 1.0 -55.0 -29.2 PSI 83 83 A 65 ARG C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -76.2 -56.2 PHI 84 84 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ALA N 1.0 -51.8 -31.8 PSI 85 85 A 66 ARG C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -74.3 -54.3 PHI 86 86 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 ALA N 1.0 -52.2 -32.2 PSI 87 87 A 67 ALA C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -73.7 -53.7 PHI 88 88 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 LYS N 1.0 -48.3 -28.3 PSI 89 89 A 68 ALA C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -76.2 -56.2 PHI 90 90 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 SER N 1.0 -50.4 -30.4 PSI 91 91 A 69 LYS C A 70 SER N A 70 SER CA A 70 SER C 1.0 -75.3 -55.3 PHI 92 92 A 70 SER N A 70 SER CA A 70 SER C A 71 LEU N 1.0 -51.0 -31.0 PSI 93 93 A 70 SER C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -74.4 -54.4 PHI 94 94 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 LYS N 1.0 -53.6 -33.6 PSI 95 95 A 71 LEU C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -73.2 -53.2 PHI 96 96 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 GLU N 1.0 -50.6 -30.6 PSI 97 97 A 74 ALA C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -73.7 -53.7 PHI 98 98 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 THR N 1.0 -52.4 -32.4 PSI 99 99 A 75 ILE C A 76 THR N A 76 THR CA A 76 THR C 1.0 -85.4 -59.2 PHI 100 100 A 76 THR N A 76 THR CA A 76 THR C A 77 ALA N 1.0 -29.8 -4.6 PSI 101 101 A 76 THR C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -104.7 -73.3 PHI 102 102 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 ILE N 1.0 -19.1 7.9 PSI 103 103 A 77 ALA C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -99.1 -51.3 PHI 104 104 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 PRO N 1.0 106.9 153.5 PSI 105 105 A 86 GLU C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -75.5 -55.5 PHI 106 106 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 LYS N 1.0 -47.8 -27.8 PSI 107 107 A 87 ALA C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -74.4 -54.4 PHI 108 108 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 GLU N 1.0 -53.4 -31.4 PSI 109 109 A 88 LYS C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -74.7 -54.7 PHI 110 110 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 MET N 1.0 -51.1 -31.1 PSI 111 111 A 89 GLU C A 90 MET N A 90 MET CA A 90 MET C 1.0 -76.1 -56.1 PHI 112 112 A 90 MET N A 90 MET CA A 90 MET C A 91 ALA N 1.0 -55.3 -35.3 PSI 113 113 A 90 MET C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -74.8 -54.8 PHI 114 114 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 LYS N 1.0 -47.4 -27.4 PSI 115 115 A 91 ALA C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -76.0 -56.0 PHI 116 116 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 LYS N 1.0 -49.3 -29.3 PSI 117 117 A 92 LYS C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -77.0 -57.0 PHI 118 118 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 ALA N 1.0 -51.6 -30.2 PSI 119 119 A 93 LYS C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -74.1 -54.1 PHI 120 120 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 GLU N 1.0 -50.0 -30.0 PSI 121 121 A 94 ALA C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -75.2 -55.2 PHI 122 122 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 GLU N 1.0 -50.7 -27.7 PSI 123 123 A 95 GLU C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -75.7 -55.7 PHI 124 124 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 TRP N 1.0 -52.2 -32.2 PSI 125 125 A 96 GLU C A 97 TRP N A 97 TRP CA A 97 TRP C 1.0 -75.2 -55.2 PHI 126 126 A 97 TRP N A 97 TRP CA A 97 TRP C A 98 LEU N 1.0 -50.5 -27.5 PSI 127 127 A 97 TRP C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -76.2 -56.2 PHI 128 128 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 GLN N 1.0 -50.3 -30.3 PSI 129 129 A 98 LEU C A 99 GLN N A 99 GLN CA A 99 GLN C 1.0 -76.4 -56.4 PHI 130 130 A 99 GLN N A 99 GLN CA A 99 GLN C A 100 ALA N 1.0 -48.3 -27.3 PSI 131 131 A 99 GLN C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -77.2 -57.2 PHI 132 132 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 GLU N 1.0 -47.3 -19.5 PSI 133 133 A 100 ALA C A 101 GLU N A 101 GLU CA A 101 GLU C 1.0 -103.1 -48.5 PHI 134 134 A 101 GLU N A 101 GLU CA A 101 GLU C A 102 GLN N 1.0 -53.2 5.4 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 5.4926 . 2 ppm 15N 26.2000 . 3 ppm 1H 10.9996 . 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 10.9851 . 2 ppm 13C 44.0092 . 3 ppm 1H 10.9996 . 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 5.4926 . 2 ppm 13C 44.0092 . 3 ppm 1H 10.9996 . stop_ save_