data_nef_c25650_2n3l 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 NCBI XP_001351730.2 PDB 2N3L stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -2 GLY start . false 2 A -1 SER middle . . 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 VAL middle . . 6 A 3 ILE middle . . 7 A 4 ARG middle . . 8 A 5 GLU middle . . 9 A 6 SER middle . . 10 A 7 VAL middle . . 11 A 8 SER middle . . 12 A 9 ARG middle . . 13 A 10 ILE middle . . 14 A 11 TYR middle . . 15 A 12 VAL middle . . 16 A 13 GLY middle . false 17 A 14 ASN middle . . 18 A 15 LEU middle . . 19 A 16 PRO middle . false 20 A 17 SER middle . . 21 A 18 HIS middle . . 22 A 19 VAL middle . . 23 A 20 SER middle . . 24 A 21 SER middle . . 25 A 22 ARG middle . . 26 A 23 ASP middle . . 27 A 24 VAL middle . . 28 A 25 GLU middle . . 29 A 26 ASN middle . . 30 A 27 GLU middle . . 31 A 28 PHE middle . . 32 A 29 ARG middle . . 33 A 30 LYS middle . . 34 A 31 TYR middle . . 35 A 32 GLY middle . false 36 A 33 ASN middle . . 37 A 34 ILE middle . . 38 A 35 LEU middle . . 39 A 36 LYS middle . . 40 A 37 CYS middle . . 41 A 38 ASP middle . . 42 A 39 VAL middle . . 43 A 40 LYS middle . . 44 A 41 LYS middle . . 45 A 42 THR middle . . 46 A 43 VAL middle . . 47 A 44 SER middle . . 48 A 45 GLY middle . false 49 A 46 ALA middle . . 50 A 47 ALA middle . . 51 A 48 PHE middle . . 52 A 49 ALA middle . . 53 A 50 PHE middle . . 54 A 51 ILE middle . . 55 A 52 GLU middle . . 56 A 53 PHE middle . . 57 A 54 GLU middle . . 58 A 55 ASP middle . . 59 A 56 ALA middle . . 60 A 57 ARG middle . . 61 A 58 ASP middle . . 62 A 59 ALA middle . . 63 A 60 ALA middle . . 64 A 61 ASP middle . . 65 A 62 ALA middle . . 66 A 63 ILE middle . . 67 A 64 LYS middle . . 68 A 65 GLU middle . . 69 A 66 LYS middle . . 70 A 67 ASP middle . . 71 A 68 GLY middle . false 72 A 69 CYS middle . . 73 A 70 ASP middle . . 74 A 71 PHE middle . . 75 A 72 GLU middle . . 76 A 73 GLY middle . false 77 A 74 ASN middle . . 78 A 75 LYS middle . . 79 A 76 LEU middle . . 80 A 77 ARG middle . . 81 A 78 VAL middle . . 82 A 79 GLU middle . . 83 A 80 VAL middle . . 84 A 81 PRO middle . false 85 A 82 PHE middle . . 86 A 83 ASN middle . . 87 A 84 ALA middle . . 88 A 85 ARG middle . . 89 A 86 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 0 HIS HA H 1 4.59 0.02 A 0 HIS C C 13 174 0.3 A 0 HIS CA C 13 55.3 0.3 A 0 HIS CB C 13 29.3 0.3 A 1 MET H H 1 8.32 0.02 A 1 MET HA H 1 4.34 0.02 A 1 MET HB2 H 1 1.86 0.02 A 1 MET HGy H 1 2.41 0.02 A 1 MET HGx H 1 2.36 0.02 A 1 MET C C 13 175.6 0.3 A 1 MET CA C 13 55.6 0.3 A 1 MET CB C 13 32.8 0.3 A 1 MET CG C 13 31.7 0.3 A 1 MET N N 15 122.3 0.3 A 2 VAL H H 1 8.22 0.02 A 2 VAL HA H 1 3.96 0.02 A 2 VAL HB H 1 1.89 0.02 A 2 VAL HG1% H 1 0.77 0.02 A 2 VAL HG2% H 1 0.82 0.02 A 2 VAL C C 13 175.6 0.3 A 2 VAL CA C 13 62.3 0.3 A 2 VAL CB C 13 32.8 0.3 A 2 VAL CG1 C 13 20.9 0.3 A 2 VAL CG2 C 13 20.7 0.3 A 2 VAL N N 15 123.7 0.3 A 3 ILE H H 1 8.25 0.02 A 3 ILE HA H 1 4.05 0.02 A 3 ILE HB H 1 1.73 0.02 A 3 ILE HD1% H 1 0.72 0.02 A 3 ILE HG1y H 1 1.36 0.02 A 3 ILE HG1x H 1 1.06 0.02 A 3 ILE HG2% H 1 0.77 0.02 A 3 ILE C C 13 175.8 0.3 A 3 ILE CA C 13 60.7 0.3 A 3 ILE CB C 13 38.3 0.3 A 3 ILE CD1 C 13 12.5 0.3 A 3 ILE CG1 C 13 27.1 0.3 A 3 ILE CG2 C 13 17.3 0.3 A 3 ILE N N 15 125.8 0.3 A 4 ARG H H 1 8.38 0.02 A 4 ARG HA H 1 4.18 0.02 A 4 ARG HB3 H 1 1.63 0.02 A 4 ARG HD2 H 1 3.01 0.02 A 4 ARG HGy H 1 1.53 0.02 A 4 ARG HGx H 1 1.47 0.02 A 4 ARG C C 13 175.9 0.3 A 4 ARG CA C 13 56 0.3 A 4 ARG CB C 13 30.7 0.3 A 4 ARG CD C 13 43.2 0.3 A 4 ARG CG C 13 27.1 0.3 A 4 ARG N N 15 126.2 0.3 A 5 GLU H H 1 8.41 0.02 A 5 GLU HA H 1 4.14 0.02 A 5 GLU HBy H 1 1.95 0.02 A 5 GLU HBx H 1 1.83 0.02 A 5 GLU HG2 H 1 2.16 0.02 A 5 GLU C C 13 176.1 0.3 A 5 GLU CA C 13 56.6 0.3 A 5 GLU CB C 13 30.3 0.3 A 5 GLU CG C 13 36 0.3 A 5 GLU N N 15 122.4 0.3 A 6 SER H H 1 8.35 0.02 A 6 SER HA H 1 4.35 0.02 A 6 SER HB2 H 1 3.71 0.02 A 6 SER C C 13 174.3 0.3 A 6 SER CA C 13 58.2 0.3 A 6 SER CB C 13 63.8 0.3 A 6 SER N N 15 116.9 0.3 A 7 VAL H H 1 7.96 0.02 A 7 VAL HA H 1 4.3 0.02 A 7 VAL HB H 1 2.13 0.02 A 7 VAL HG2% H 1 0.84 0.02 A 7 VAL C C 13 175.5 0.3 A 7 VAL CA C 13 61.7 0.3 A 7 VAL CB C 13 32.8 0.3 A 7 VAL CG1 C 13 20.8 0.3 A 7 VAL CG2 C 13 19.9 0.3 A 7 VAL N N 15 119.7 0.3 A 8 SER H H 1 8.47 0.02 A 8 SER HA H 1 4.24 0.02 A 8 SER HBy H 1 3.96 0.02 A 8 SER HBx H 1 3.53 0.02 A 8 SER C C 13 172.5 0.3 A 8 SER CA C 13 58.5 0.3 A 8 SER CB C 13 63.6 0.3 A 8 SER N N 15 117.7 0.3 A 9 ARG H H 1 7.5 0.02 A 9 ARG HA H 1 5.5 0.02 A 9 ARG HB3 H 1 1.69 0.02 A 9 ARG HD2 H 1 2.95 0.02 A 9 ARG HGy H 1 1.43 0.02 A 9 ARG HGx H 1 1.34 0.02 A 9 ARG C C 13 175 0.3 A 9 ARG CA C 13 54.3 0.3 A 9 ARG CB C 13 33.4 0.3 A 9 ARG CD C 13 43.7 0.3 A 9 ARG CG C 13 28.2 0.3 A 9 ARG N N 15 123.2 0.3 A 10 ILE H H 1 8.91 0.02 A 10 ILE HA H 1 4.9 0.02 A 10 ILE HB H 1 1.67 0.02 A 10 ILE HD1% H 1 0.49 0.02 A 10 ILE HG1y H 1 1.08 0.02 A 10 ILE HG1x H 1 0.85 0.02 A 10 ILE HG2% H 1 0.8 0.02 A 10 ILE C C 13 173 0.3 A 10 ILE CA C 13 59 0.3 A 10 ILE CB C 13 40.9 0.3 A 10 ILE CD1 C 13 14.5 0.3 A 10 ILE CG1 C 13 24 0.3 A 10 ILE CG2 C 13 18.4 0.3 A 10 ILE N N 15 114.6 0.3 A 11 TYR H H 1 9 0.02 A 11 TYR HA H 1 4.94 0.02 A 11 TYR HBy H 1 2.62 0.02 A 11 TYR HBx H 1 2.58 0.02 A 11 TYR HD1 H 1 6.44 0.02 A 11 TYR HE1 H 1 6.07 0.02 A 11 TYR C C 13 173 0.3 A 11 TYR CA C 13 55.9 0.3 A 11 TYR CB C 13 40.9 0.3 A 11 TYR CD2 C 13 133.2 0.3 A 11 TYR CE1 C 13 117.7 0.3 A 11 TYR N N 15 123.6 0.3 A 12 VAL H H 1 8.39 0.02 A 12 VAL HA H 1 4.56 0.02 A 12 VAL HB H 1 1.51 0.02 A 12 VAL HG1% H 1 0.23 0.02 A 12 VAL HG2% H 1 0.68 0.02 A 12 VAL C C 13 174.1 0.3 A 12 VAL CA C 13 60.2 0.3 A 12 VAL CB C 13 33.4 0.3 A 12 VAL CG1 C 13 20.7 0.3 A 12 VAL CG2 C 13 22.5 0.3 A 12 VAL N N 15 126.4 0.3 A 13 GLY H H 1 9.57 0.02 A 13 GLY HAy H 1 4.42 0.02 A 13 GLY HAx H 1 3.48 0.02 A 13 GLY C C 13 173.1 0.3 A 13 GLY CA C 13 43.3 0.3 A 13 GLY N N 15 112.7 0.3 A 14 ASN H H 1 8.73 0.02 A 14 ASN HA H 1 4.27 0.02 A 14 ASN HBy H 1 3.63 0.02 A 14 ASN HBx H 1 2.46 0.02 A 14 ASN C C 13 175.8 0.3 A 14 ASN CA C 13 53.6 0.3 A 14 ASN CB C 13 37.7 0.3 A 14 ASN N N 15 114.1 0.3 A 15 LEU H H 1 7.24 0.02 A 15 LEU HA H 1 4.99 0.02 A 15 LEU HBy H 1 1.15 0.02 A 15 LEU HBx H 1 0.98 0.02 A 15 LEU HD1% H 1 0.37 0.02 A 15 LEU CA C 13 55.6 0.3 A 15 LEU CB C 13 41.6 0.3 A 15 LEU CD1 C 13 26.7 0.3 A 15 LEU N N 15 116 0.3 A 16 PRO HA H 1 4.07 0.02 A 16 PRO HBy H 1 2.33 0.02 A 16 PRO HBx H 1 1.96 0.02 A 16 PRO HDy H 1 3.68 0.02 A 16 PRO HDx H 1 3.17 0.02 A 16 PRO HGy H 1 1.28 0.02 A 16 PRO HGx H 1 1.24 0.02 A 16 PRO C C 13 171.5 0.3 A 16 PRO CA C 13 62.5 0.3 A 16 PRO CB C 13 32 0.3 A 16 PRO CD C 13 50 0.3 A 16 PRO CG C 13 28.9 0.3 A 17 SER H H 1 8.4 0.02 A 17 SER HA H 1 4.31 0.02 A 17 SER HB2 H 1 3.76 0.02 A 17 SER C C 13 174.2 0.3 A 17 SER CA C 13 58.2 0.3 A 17 SER CB C 13 63.9 0.3 A 17 SER N N 15 115.2 0.3 A 18 HIS H H 1 8.51 0.02 A 18 HIS HA H 1 4.55 0.02 A 18 HIS HBy H 1 3.13 0.02 A 18 HIS HBx H 1 3.03 0.02 A 18 HIS C C 13 175.1 0.3 A 18 HIS CA C 13 55.5 0.3 A 18 HIS CB C 13 29.3 0.3 A 18 HIS N N 15 120.6 0.3 A 19 VAL H H 1 6.83 0.02 A 19 VAL HA H 1 4.26 0.02 A 19 VAL HB H 1 2.08 0.02 A 19 VAL HG1% H 1 0.91 0.02 A 19 VAL HG2% H 1 0.68 0.02 A 19 VAL C C 13 174 0.3 A 19 VAL CA C 13 61.9 0.3 A 19 VAL CB C 13 32.6 0.3 A 19 VAL CG1 C 13 22.2 0.3 A 19 VAL CG2 C 13 22.5 0.3 A 19 VAL N N 15 116.4 0.3 A 20 SER H H 1 8.85 0.02 A 20 SER HA H 1 4.71 0.02 A 20 SER HBy H 1 4.22 0.02 A 20 SER HBx H 1 3.92 0.02 A 20 SER C C 13 175.9 0.3 A 20 SER CA C 13 55.8 0.3 A 20 SER CB C 13 66.6 0.3 A 20 SER N N 15 119 0.3 A 21 SER H H 1 9.1 0.02 A 21 SER HA H 1 3.88 0.02 A 21 SER C C 13 176.2 0.3 A 21 SER CA C 13 62.3 0.3 A 21 SER CB C 13 66.8 0.3 A 21 SER N N 15 117.6 0.3 A 22 ARG H H 1 7.99 0.02 A 22 ARG HA H 1 3.99 0.02 A 22 ARG HBy H 1 1.73 0.02 A 22 ARG HBx H 1 1.63 0.02 A 22 ARG HD2 H 1 3.08 0.02 A 22 ARG HG2 H 1 1.55 0.02 A 22 ARG C C 13 177.9 0.3 A 22 ARG CA C 13 58.7 0.3 A 22 ARG CB C 13 29.6 0.3 A 22 ARG CD C 13 43.2 0.3 A 22 ARG CG C 13 26.7 0.3 A 22 ARG N N 15 121.2 0.3 A 23 ASP H H 1 7.51 0.02 A 23 ASP HA H 1 4.39 0.02 A 23 ASP HBy H 1 2.99 0.02 A 23 ASP HBx H 1 2.73 0.02 A 23 ASP C C 13 179.2 0.3 A 23 ASP CA C 13 57.3 0.3 A 23 ASP CB C 13 41 0.3 A 23 ASP N N 15 118.8 0.3 A 24 VAL H H 1 7.47 0.02 A 24 VAL HA H 1 3.37 0.02 A 24 VAL HB H 1 1.76 0.02 A 24 VAL HG1% H 1 0.69 0.02 A 24 VAL HG2% H 1 0.45 0.02 A 24 VAL C C 13 177.5 0.3 A 24 VAL CA C 13 66.9 0.3 A 24 VAL CB C 13 31.4 0.3 A 24 VAL CG1 C 13 24.3 0.3 A 24 VAL CG2 C 13 24.2 0.3 A 24 VAL N N 15 119.6 0.3 A 25 GLU H H 1 8.61 0.02 A 25 GLU HA H 1 3.57 0.02 A 25 GLU HBy H 1 2.09 0.02 A 25 GLU HBx H 1 1.97 0.02 A 25 GLU HG2 H 1 2.22 0.02 A 25 GLU C C 13 178.4 0.3 A 25 GLU CA C 13 60.6 0.3 A 25 GLU CB C 13 29.6 0.3 A 25 GLU CG C 13 36.6 0.3 A 25 GLU N N 15 121.3 0.3 A 26 ASN H H 1 8.23 0.02 A 26 ASN HA H 1 4.31 0.02 A 26 ASN HBy H 1 2.92 0.02 A 26 ASN HBx H 1 2.8 0.02 A 26 ASN C C 13 177.4 0.3 A 26 ASN CA C 13 55.9 0.3 A 26 ASN CB C 13 37.9 0.3 A 26 ASN N N 15 114.9 0.3 A 27 GLU H H 1 7.38 0.02 A 27 GLU HA H 1 4.14 0.02 A 27 GLU HB2 H 1 2 0.02 A 27 GLU HGy H 1 1.78 0.02 A 27 GLU HGx H 1 1.49 0.02 A 27 GLU C C 13 176.4 0.3 A 27 GLU CA C 13 57.4 0.3 A 27 GLU CB C 13 29.4 0.3 A 27 GLU CG C 13 34.5 0.3 A 27 GLU N N 15 118.9 0.3 A 28 PHE H H 1 7.69 0.02 A 28 PHE HA H 1 4.55 0.02 A 28 PHE HBy H 1 3.42 0.02 A 28 PHE HBx H 1 2.61 0.02 A 28 PHE HD1 H 1 7.42 0.02 A 28 PHE HE1 H 1 6.71 0.02 A 28 PHE C C 13 176.3 0.3 A 28 PHE CA C 13 60 0.3 A 28 PHE CB C 13 40.8 0.3 A 28 PHE CD2 C 13 131.9 0.3 A 28 PHE CE1 C 13 130 0.3 A 28 PHE N N 15 113.9 0.3 A 29 ARG H H 1 8.17 0.02 A 29 ARG HA H 1 4.41 0.02 A 29 ARG HBy H 1 2.02 0.02 A 29 ARG HBx H 1 1.82 0.02 A 29 ARG HD2 H 1 3.19 0.02 A 29 ARG HGy H 1 1.74 0.02 A 29 ARG HGx H 1 1.58 0.02 A 29 ARG C C 13 177.1 0.3 A 29 ARG CA C 13 58.2 0.3 A 29 ARG CB C 13 29.3 0.3 A 29 ARG CD C 13 43.6 0.3 A 29 ARG CG C 13 27 0.3 A 29 ARG N N 15 121.5 0.3 A 30 LYS H H 1 7.63 0.02 A 30 LYS HA H 1 3.83 0.02 A 30 LYS HBy H 1 1.35 0.02 A 30 LYS HBx H 1 1.11 0.02 A 30 LYS HD2 H 1 0.59 0.02 A 30 LYS HE2 H 1 2.61 0.02 A 30 LYS HGy H 1 0.73 0.02 A 30 LYS HGx H 1 0.26 0.02 A 30 LYS C C 13 177.1 0.3 A 30 LYS CA C 13 57.8 0.3 A 30 LYS CB C 13 31.1 0.3 A 30 LYS CD C 13 29.8 0.3 A 30 LYS CE C 13 41.6 0.3 A 30 LYS CG C 13 23 0.3 A 30 LYS N N 15 117.2 0.3 A 31 TYR H H 1 7.4 0.02 A 31 TYR HA H 1 4.15 0.02 A 31 TYR HBy H 1 3.13 0.02 A 31 TYR HBx H 1 2.71 0.02 A 31 TYR HD1 H 1 7.28 0.02 A 31 TYR HE1 H 1 6.36 0.02 A 31 TYR C C 13 174.4 0.3 A 31 TYR CA C 13 59.9 0.3 A 31 TYR CB C 13 37.9 0.3 A 31 TYR CD2 C 13 132.9 0.3 A 31 TYR CE1 C 13 117.7 0.3 A 31 TYR N N 15 117.3 0.3 A 32 GLY H H 1 7.26 0.02 A 32 GLY HAy H 1 4.48 0.02 A 32 GLY HAx H 1 3.64 0.02 A 32 GLY C C 13 177 0.3 A 32 GLY CA C 13 44.5 0.3 A 32 GLY N N 15 104.2 0.3 A 33 ASN H H 1 8.41 0.02 A 33 ASN HA H 1 4.44 0.02 A 33 ASN HBy H 1 2.69 0.02 A 33 ASN HBx H 1 2.65 0.02 A 33 ASN C C 13 175.5 0.3 A 33 ASN CA C 13 54.3 0.3 A 33 ASN CB C 13 38.4 0.3 A 33 ASN N N 15 115.3 0.3 A 34 ILE H H 1 8.1 0.02 A 34 ILE HA H 1 3.79 0.02 A 34 ILE HB H 1 1.42 0.02 A 34 ILE HD1% H 1 0.35 0.02 A 34 ILE HG2% H 1 1.4 0.02 A 34 ILE C C 13 175.6 0.3 A 34 ILE CA C 13 61.3 0.3 A 34 ILE CB C 13 40 0.3 A 34 ILE CD1 C 13 17.6 0.3 A 34 ILE CG1 C 13 28.1 0.3 A 34 ILE CG2 C 13 20.2 0.3 A 34 ILE N N 15 126.8 0.3 A 35 LEU H H 1 8.76 0.02 A 35 LEU HA H 1 4.16 0.02 A 35 LEU HB2 H 1 1.34 0.02 A 35 LEU HD1% H 1 0.76 0.02 A 35 LEU HD2% H 1 0.67 0.02 A 35 LEU HG H 1 1.27 0.02 A 35 LEU C C 13 177.2 0.3 A 35 LEU CA C 13 55.5 0.3 A 35 LEU CB C 13 42.7 0.3 A 35 LEU CD1 C 13 25.8 0.3 A 35 LEU CD2 C 13 22.2 0.3 A 35 LEU CG C 13 27.2 0.3 A 35 LEU N N 15 127.4 0.3 A 36 LYS H H 1 7.1 0.02 A 36 LYS HA H 1 4.24 0.02 A 36 LYS HBy H 1 1.56 0.02 A 36 LYS HBx H 1 1.52 0.02 A 36 LYS HD2 H 1 1.53 0.02 A 36 LYS HE2 H 1 2.85 0.02 A 36 LYS HG2 H 1 1.03 0.02 A 36 LYS C C 13 173.6 0.3 A 36 LYS CA C 13 55.9 0.3 A 36 LYS CB C 13 36.6 0.3 A 36 LYS CD C 13 28.8 0.3 A 36 LYS CE C 13 42.1 0.3 A 36 LYS CG C 13 24.7 0.3 A 36 LYS N N 15 116.9 0.3 A 37 CYS H H 1 8.63 0.02 A 37 CYS HA H 1 4.7 0.02 A 37 CYS HBy H 1 2.79 0.02 A 37 CYS HBx H 1 2.23 0.02 A 37 CYS C C 13 171.6 0.3 A 37 CYS CA C 13 57.9 0.3 A 37 CYS CB C 13 27.1 0.3 A 37 CYS N N 15 125.3 0.3 A 38 ASP H H 1 8.42 0.02 A 38 ASP HA H 1 4.95 0.02 A 38 ASP HBy H 1 2.57 0.02 A 38 ASP HBx H 1 2.4 0.02 A 38 ASP C C 13 174.3 0.3 A 38 ASP CA C 13 53.2 0.3 A 38 ASP CB C 13 44.3 0.3 A 38 ASP N N 15 128.2 0.3 A 39 VAL H H 1 8.42 0.02 A 39 VAL HA H 1 4.3 0.02 A 39 VAL HB H 1 1.69 0.02 A 39 VAL HG1% H 1 0.53 0.02 A 39 VAL HG2% H 1 0.53 0.02 A 39 VAL C C 13 175 0.3 A 39 VAL CA C 13 61.7 0.3 A 39 VAL CB C 13 33.1 0.3 A 39 VAL CG1 C 13 22.5 0.3 A 39 VAL CG2 C 13 21.1 0.3 A 39 VAL N N 15 123.6 0.3 A 40 LYS H H 1 8.65 0.02 A 40 LYS HA H 1 4.32 0.02 A 40 LYS HBy H 1 1.19 0.02 A 40 LYS HBx H 1 0.32 0.02 A 40 LYS HD2 H 1 1.49 0.02 A 40 LYS HE2 H 1 2.82 0.02 A 40 LYS HG2 H 1 1.19 0.02 A 40 LYS C C 13 173.7 0.3 A 40 LYS CA C 13 53.9 0.3 A 40 LYS CB C 13 35.5 0.3 A 40 LYS CD C 13 28.8 0.3 A 40 LYS CE C 13 42 0.3 A 40 LYS CG C 13 24.8 0.3 A 40 LYS N N 15 128.9 0.3 A 41 LYS H H 1 7.92 0.02 A 41 LYS HA H 1 4.98 0.02 A 41 LYS HBy H 1 1.71 0.02 A 41 LYS HBx H 1 1.54 0.02 A 41 LYS HD2 H 1 1.53 0.02 A 41 LYS HE2 H 1 2.78 0.02 A 41 LYS HG2 H 1 1.22 0.02 A 41 LYS C C 13 177.8 0.3 A 41 LYS CA C 13 54.6 0.3 A 41 LYS CB C 13 35 0.3 A 41 LYS CD C 13 28.5 0.3 A 41 LYS CE C 13 42.4 0.3 A 41 LYS CG C 13 25 0.3 A 41 LYS N N 15 117.8 0.3 A 42 THR H H 1 8.64 0.02 A 42 THR HA H 1 4.68 0.02 A 42 THR HB H 1 4.59 0.02 A 42 THR HG2% H 1 1.29 0.02 A 42 THR C C 13 176.9 0.3 A 42 THR CA C 13 60.2 0.3 A 42 THR CB C 13 71.6 0.3 A 42 THR CG2 C 13 21.9 0.3 A 42 THR N N 15 113 0.3 A 43 VAL H H 1 8.68 0.02 A 43 VAL HA H 1 3.92 0.02 A 43 VAL HB H 1 2.14 0.02 A 43 VAL HG2% H 1 0.97 0.02 A 43 VAL C C 13 177 0.3 A 43 VAL CA C 13 64.7 0.3 A 43 VAL CB C 13 31.8 0.3 A 43 VAL CG1 C 13 24 0.3 A 43 VAL CG2 C 13 20.9 0.3 A 43 VAL N N 15 120 0.3 A 44 SER H H 1 7.85 0.02 A 44 SER HA H 1 4.36 0.02 A 44 SER HB2 H 1 3.8 0.02 A 44 SER C C 13 174.8 0.3 A 44 SER CA C 13 58.4 0.3 A 44 SER CB C 13 63.5 0.3 A 44 SER N N 15 113.5 0.3 A 45 GLY H H 1 7.81 0.02 A 45 GLY HAy H 1 4.2 0.02 A 45 GLY HAx H 1 3.65 0.02 A 45 GLY C C 13 173.5 0.3 A 45 GLY CA C 13 45.3 0.3 A 45 GLY N N 15 110.2 0.3 A 46 ALA H H 1 7.47 0.02 A 46 ALA HA H 1 4.39 0.02 A 46 ALA HB% H 1 1.37 0.02 A 46 ALA C C 13 176.1 0.3 A 46 ALA CA C 13 51.9 0.3 A 46 ALA CB C 13 19.8 0.3 A 46 ALA N N 15 123.7 0.3 A 47 ALA H H 1 8.35 0.02 A 47 ALA HA H 1 5.2 0.02 A 47 ALA HB% H 1 0.99 0.02 A 47 ALA C C 13 176.1 0.3 A 47 ALA CA C 13 50.9 0.3 A 47 ALA CB C 13 21.9 0.3 A 47 ALA N N 15 123.1 0.3 A 48 PHE H H 1 8.55 0.02 A 48 PHE HA H 1 5.03 0.02 A 48 PHE HBy H 1 2.92 0.02 A 48 PHE HBx H 1 2.65 0.02 A 48 PHE HD1 H 1 6.98 0.02 A 48 PHE HE1 H 1 6.61 0.02 A 48 PHE C C 13 171.6 0.3 A 48 PHE CA C 13 55.7 0.3 A 48 PHE CB C 13 41.2 0.3 A 48 PHE CD2 C 13 131.3 0.3 A 48 PHE CE1 C 13 132.8 0.3 A 48 PHE N N 15 118.3 0.3 A 49 ALA H H 1 9.13 0.02 A 49 ALA HA H 1 5.33 0.02 A 49 ALA HB% H 1 0.78 0.02 A 49 ALA C C 13 175.5 0.3 A 49 ALA CA C 13 49.3 0.3 A 49 ALA CB C 13 23.7 0.3 A 49 ALA N N 15 120 0.3 A 50 PHE H H 1 8.1 0.02 A 50 PHE HA H 1 5.6 0.02 A 50 PHE HB3 H 1 2.81 0.02 A 50 PHE HD1 H 1 7.32 0.02 A 50 PHE HE1 H 1 7.15 0.02 A 50 PHE C C 13 176 0.3 A 50 PHE CA C 13 56.5 0.3 A 50 PHE CB C 13 42.2 0.3 A 50 PHE CD2 C 13 131.4 0.3 A 50 PHE CE1 C 13 131.6 0.3 A 50 PHE N N 15 115.9 0.3 A 51 ILE H H 1 8.57 0.02 A 51 ILE HA H 1 4.45 0.02 A 51 ILE HB H 1 1.15 0.02 A 51 ILE HD1% H 1 -0.18 0.02 A 51 ILE HG1y H 1 0.96 0.02 A 51 ILE HG1x H 1 0.51 0.02 A 51 ILE HG2% H 1 0 0.02 A 51 ILE C C 13 173.7 0.3 A 51 ILE CA C 13 60.2 0.3 A 51 ILE CB C 13 40.7 0.3 A 51 ILE CD1 C 13 14.5 0.3 A 51 ILE CG1 C 13 27.2 0.3 A 51 ILE CG2 C 13 18.3 0.3 A 51 ILE N N 15 122.8 0.3 A 52 GLU H H 1 8.56 0.02 A 52 GLU HA H 1 4.77 0.02 A 52 GLU HBy H 1 1.8 0.02 A 52 GLU HBx H 1 1.64 0.02 A 52 GLU HGy H 1 1.98 0.02 A 52 GLU HGx H 1 1.88 0.02 A 52 GLU C C 13 175.3 0.3 A 52 GLU CA C 13 54.7 0.3 A 52 GLU CB C 13 31.5 0.3 A 52 GLU N N 15 126.2 0.3 A 53 PHE H H 1 8.79 0.02 A 53 PHE HA H 1 4.8 0.02 A 53 PHE HBy H 1 3.65 0.02 A 53 PHE HBx H 1 2.75 0.02 A 53 PHE HD1 H 1 7.27 0.02 A 53 PHE HE1 H 1 7.18 0.02 A 53 PHE C C 13 175.4 0.3 A 53 PHE CA C 13 58.2 0.3 A 53 PHE CB C 13 40.9 0.3 A 53 PHE CD2 C 13 131.9 0.3 A 53 PHE CE1 C 13 131.9 0.3 A 53 PHE N N 15 125.5 0.3 A 54 GLU H H 1 8.18 0.02 A 54 GLU HA H 1 3.93 0.02 A 54 GLU HB2 H 1 1.81 0.02 A 54 GLU HGy H 1 2.25 0.02 A 54 GLU HGx H 1 2.18 0.02 A 54 GLU C C 13 175.3 0.3 A 54 GLU CA C 13 59.1 0.3 A 54 GLU CB C 13 30.8 0.3 A 54 GLU CG C 13 36.4 0.3 A 54 GLU N N 15 120.5 0.3 A 55 ASP H H 1 8.59 0.02 A 55 ASP HA H 1 4.92 0.02 A 55 ASP HBy H 1 2.87 0.02 A 55 ASP HBx H 1 2.44 0.02 A 55 ASP C C 13 176.4 0.3 A 55 ASP CA C 13 52.4 0.3 A 55 ASP CB C 13 44.4 0.3 A 55 ASP N N 15 117.1 0.3 A 56 ALA H H 1 8.82 0.02 A 56 ALA HA H 1 3.83 0.02 A 56 ALA HB% H 1 1.28 0.02 A 56 ALA C C 13 179.8 0.3 A 56 ALA CA C 13 55.2 0.3 A 56 ALA CB C 13 18.9 0.3 A 56 ALA N N 15 128.7 0.3 A 57 ARG H H 1 8.91 0.02 A 57 ARG HA H 1 3.89 0.02 A 57 ARG HB3 H 1 1.76 0.02 A 57 ARG HD2 H 1 3.05 0.02 A 57 ARG HG2 H 1 1.59 0.02 A 57 ARG C C 13 178 0.3 A 57 ARG CA C 13 58.9 0.3 A 57 ARG CB C 13 29.3 0.3 A 57 ARG CD C 13 43.3 0.3 A 57 ARG CG C 13 26.7 0.3 A 57 ARG N N 15 119 0.3 A 58 ASP H H 1 7.09 0.02 A 58 ASP HA H 1 4.09 0.02 A 58 ASP HBy H 1 2.67 0.02 A 58 ASP HBx H 1 2.3 0.02 A 58 ASP C C 13 176.7 0.3 A 58 ASP CA C 13 56.5 0.3 A 58 ASP CB C 13 39.9 0.3 A 58 ASP N N 15 120.7 0.3 A 59 ALA H H 1 6.52 0.02 A 59 ALA HA H 1 3.08 0.02 A 59 ALA HB% H 1 1.24 0.02 A 59 ALA C C 13 178.1 0.3 A 59 ALA CA C 13 54.3 0.3 A 59 ALA CB C 13 18.4 0.3 A 59 ALA N N 15 119.6 0.3 A 60 ALA H H 1 7.41 0.02 A 60 ALA HA H 1 3.83 0.02 A 60 ALA HB% H 1 1.35 0.02 A 60 ALA C C 13 180.9 0.3 A 60 ALA CA C 13 54.9 0.3 A 60 ALA CB C 13 17.7 0.3 A 60 ALA N N 15 117.7 0.3 A 61 ASP H H 1 7.61 0.02 A 61 ASP HA H 1 4.21 0.02 A 61 ASP HBy H 1 2.83 0.02 A 61 ASP HBx H 1 2.61 0.02 A 61 ASP C C 13 176.7 0.3 A 61 ASP CA C 13 57.1 0.3 A 61 ASP CB C 13 40.1 0.3 A 61 ASP N N 15 119.9 0.3 A 62 ALA H H 1 7.47 0.02 A 62 ALA HA H 1 2.42 0.02 A 62 ALA HB% H 1 1.06 0.02 A 62 ALA C C 13 179.3 0.3 A 62 ALA CA C 13 54.6 0.3 A 62 ALA CB C 13 19.1 0.3 A 62 ALA N N 15 122.1 0.3 A 63 ILE H H 1 7.62 0.02 A 63 ILE HA H 1 3.24 0.02 A 63 ILE HB H 1 1.59 0.02 A 63 ILE HD1% H 1 0.84 0.02 A 63 ILE HG2% H 1 0.8 0.02 A 63 ILE C C 13 177.8 0.3 A 63 ILE CA C 13 65.6 0.3 A 63 ILE CB C 13 38.9 0.3 A 63 ILE CD1 C 13 17.1 0.3 A 63 ILE CG1 C 13 29.9 0.3 A 63 ILE CG2 C 13 18.2 0.3 A 63 ILE N N 15 116.9 0.3 A 64 LYS H H 1 7.51 0.02 A 64 LYS HA H 1 3.9 0.02 A 64 LYS HB3 H 1 1.83 0.02 A 64 LYS HDy H 1 1.74 0.02 A 64 LYS HDx H 1 1.63 0.02 A 64 LYS HE2 H 1 2.91 0.02 A 64 LYS HGy H 1 1.42 0.02 A 64 LYS HGx H 1 1.34 0.02 A 64 LYS C C 13 178.9 0.3 A 64 LYS CA C 13 58.8 0.3 A 64 LYS CB C 13 32.6 0.3 A 64 LYS CD C 13 29.7 0.3 A 64 LYS CE C 13 42.1 0.3 A 64 LYS CG C 13 24.6 0.3 A 64 LYS N N 15 117.5 0.3 A 65 GLU H H 1 7.9 0.02 A 65 GLU HA H 1 4.16 0.02 A 65 GLU HB2 H 1 2.21 0.02 A 65 GLU HGy H 1 2.44 0.02 A 65 GLU HGx H 1 2.2 0.02 A 65 GLU C C 13 178.3 0.3 A 65 GLU CA C 13 58.3 0.3 A 65 GLU CB C 13 30.7 0.3 A 65 GLU CG C 13 37.2 0.3 A 65 GLU N N 15 113.7 0.3 A 66 LYS H H 1 8.06 0.02 A 66 LYS HA H 1 4.47 0.02 A 66 LYS HB3 H 1 2.05 0.02 A 66 LYS HD2 H 1 1.64 0.02 A 66 LYS HE2 H 1 2.56 0.02 A 66 LYS HG2 H 1 1.33 0.02 A 66 LYS C C 13 177.5 0.3 A 66 LYS CA C 13 54.4 0.3 A 66 LYS CB C 13 33 0.3 A 66 LYS CD C 13 28 0.3 A 66 LYS CE C 13 41.9 0.3 A 66 LYS CG C 13 23.8 0.3 A 66 LYS N N 15 114.5 0.3 A 67 ASP H H 1 7.75 0.02 A 67 ASP HA H 1 4.22 0.02 A 67 ASP HBy H 1 3.25 0.02 A 67 ASP HBx H 1 2.59 0.02 A 67 ASP C C 13 177.7 0.3 A 67 ASP CA C 13 58.4 0.3 A 67 ASP CB C 13 41.4 0.3 A 67 ASP N N 15 118.8 0.3 A 68 GLY H H 1 8.51 0.02 A 68 GLY HAy H 1 4.17 0.02 A 68 GLY HAx H 1 3.64 0.02 A 68 GLY C C 13 173.8 0.3 A 68 GLY CA C 13 45.9 0.3 A 68 GLY N N 15 115.8 0.3 A 69 CYS H H 1 7.89 0.02 A 69 CYS HA H 1 4.16 0.02 A 69 CYS HBy H 1 2.98 0.02 A 69 CYS HBx H 1 2.94 0.02 A 69 CYS C C 13 172.6 0.3 A 69 CYS CA C 13 58 0.3 A 69 CYS CB C 13 28.7 0.3 A 69 CYS N N 15 119.2 0.3 A 70 ASP H H 1 8.4 0.02 A 70 ASP HA H 1 4.83 0.02 A 70 ASP HBy H 1 2.48 0.02 A 70 ASP HBx H 1 2.38 0.02 A 70 ASP C C 13 176.4 0.3 A 70 ASP CA C 13 54.7 0.3 A 70 ASP CB C 13 42.7 0.3 A 70 ASP N N 15 122.3 0.3 A 71 PHE H H 1 9.43 0.02 A 71 PHE HA H 1 4.6 0.02 A 71 PHE HBy H 1 2.98 0.02 A 71 PHE HBx H 1 2.73 0.02 A 71 PHE HD1 H 1 7.02 0.02 A 71 PHE HE1 H 1 6.89 0.02 A 71 PHE C C 13 173.6 0.3 A 71 PHE CA C 13 56.8 0.3 A 71 PHE CB C 13 40.7 0.3 A 71 PHE CD2 C 13 131.6 0.3 A 71 PHE CE1 C 13 129.3 0.3 A 71 PHE N N 15 127.8 0.3 A 72 GLU H H 1 8.93 0.02 A 72 GLU HA H 1 3.54 0.02 A 72 GLU HB2 H 1 2.03 0.02 A 72 GLU HGy H 1 1.6 0.02 A 72 GLU HGx H 1 1.37 0.02 A 72 GLU C C 13 175.5 0.3 A 72 GLU CA C 13 56.7 0.3 A 72 GLU CB C 13 27.3 0.3 A 72 GLU CG C 13 35 0.3 A 72 GLU N N 15 123.6 0.3 A 73 GLY H H 1 8.34 0.02 A 73 GLY HAy H 1 4.19 0.02 A 73 GLY HAx H 1 3.65 0.02 A 73 GLY C C 13 174.1 0.3 A 73 GLY CA C 13 45.6 0.3 A 73 GLY N N 15 105.1 0.3 A 74 ASN H H 1 7.74 0.02 A 74 ASN HA H 1 4.76 0.02 A 74 ASN HBy H 1 2.92 0.02 A 74 ASN HBx H 1 2.78 0.02 A 74 ASN C C 13 174 0.3 A 74 ASN CA C 13 50.9 0.3 A 74 ASN CB C 13 39.7 0.3 A 74 ASN N N 15 121 0.3 A 75 LYS H H 1 8.41 0.02 A 75 LYS HA H 1 4.47 0.02 A 75 LYS HBy H 1 1.63 0.02 A 75 LYS HBx H 1 1.5 0.02 A 75 LYS HD2 H 1 1.54 0.02 A 75 LYS HE2 H 1 2.91 0.02 A 75 LYS HG2 H 1 1.19 0.02 A 75 LYS C C 13 176.9 0.3 A 75 LYS CA C 13 55.3 0.3 A 75 LYS CB C 13 31.9 0.3 A 75 LYS CD C 13 28.9 0.3 A 75 LYS CE C 13 41.9 0.3 A 75 LYS CG C 13 24.5 0.3 A 75 LYS N N 15 121.3 0.3 A 76 LEU H H 1 8.95 0.02 A 76 LEU HA H 1 4.43 0.02 A 76 LEU HB2 H 1 2.09 0.02 A 76 LEU HD1% H 1 0.56 0.02 A 76 LEU HD2% H 1 0.76 0.02 A 76 LEU HG H 1 1.15 0.02 A 76 LEU C C 13 177.6 0.3 A 76 LEU CA C 13 55.3 0.3 A 76 LEU CB C 13 43.1 0.3 A 76 LEU CD1 C 13 21.5 0.3 A 76 LEU CD2 C 13 19.8 0.3 A 76 LEU N N 15 127.5 0.3 A 77 ARG H H 1 7.53 0.02 A 77 ARG HA H 1 4.9 0.02 A 77 ARG HB3 H 1 1.69 0.02 A 77 ARG HDy H 1 3.25 0.02 A 77 ARG HDx H 1 3.12 0.02 A 77 ARG HG2 H 1 1.53 0.02 A 77 ARG C C 13 174.7 0.3 A 77 ARG CA C 13 54 0.3 A 77 ARG CB C 13 32.3 0.3 A 77 ARG CD C 13 43.1 0.3 A 77 ARG CG C 13 26.8 0.3 A 77 ARG N N 15 122.6 0.3 A 78 VAL H H 1 9.53 0.02 A 78 VAL HA H 1 5.28 0.02 A 78 VAL HB H 1 1.82 0.02 A 78 VAL HG2% H 1 0.92 0.02 A 78 VAL C C 13 174.2 0.3 A 78 VAL CA C 13 61.2 0.3 A 78 VAL CB C 13 33.4 0.3 A 78 VAL CG1 C 13 24.1 0.3 A 78 VAL CG2 C 13 22.4 0.3 A 78 VAL N N 15 127.4 0.3 A 79 GLU H H 1 8.96 0.02 A 79 GLU HA H 1 4.71 0.02 A 79 GLU HBy H 1 2.05 0.02 A 79 GLU HBx H 1 1.84 0.02 A 79 GLU HGy H 1 2.12 0.02 A 79 GLU HGx H 1 1.93 0.02 A 79 GLU C C 13 174.6 0.3 A 79 GLU CA C 13 53.9 0.3 A 79 GLU CB C 13 34.4 0.3 A 79 GLU CG C 13 34.5 0.3 A 79 GLU N N 15 121.5 0.3 A 80 VAL H H 1 8.39 0.02 A 80 VAL HA H 1 4.37 0.02 A 80 VAL HB H 1 1.96 0.02 A 80 VAL HG2% H 1 0.94 0.02 A 80 VAL CA C 13 61 0.3 A 80 VAL CB C 13 32.1 0.3 A 80 VAL CG2 C 13 21.2 0.3 A 80 VAL N N 15 120.8 0.3 A 81 PRO HA H 1 4.26 0.02 A 81 PRO HBy H 1 2.13 0.02 A 81 PRO HBx H 1 1.8 0.02 A 81 PRO HDy H 1 4.08 0.02 A 81 PRO HDx H 1 3.64 0.02 A 81 PRO HGy H 1 1.92 0.02 A 81 PRO HGx H 1 1.73 0.02 A 81 PRO C C 13 176.1 0.3 A 81 PRO CA C 13 63.1 0.3 A 81 PRO CB C 13 32.1 0.3 A 81 PRO CD C 13 50.9 0.3 A 81 PRO CG C 13 27.8 0.3 A 82 PHE H H 1 8.1 0.02 A 82 PHE HA H 1 4.29 0.02 A 82 PHE HBy H 1 2.96 0.02 A 82 PHE HBx H 1 2.84 0.02 A 82 PHE HD1 H 1 7.04 0.02 A 82 PHE HE1 H 1 7.05 0.02 A 82 PHE C C 13 175.3 0.3 A 82 PHE CA C 13 58.1 0.3 A 82 PHE CB C 13 39.4 0.3 A 82 PHE CD2 C 13 131.5 0.3 A 82 PHE CE1 C 13 129.8 0.3 A 82 PHE N N 15 121.1 0.3 A 83 ASN H H 1 8.07 0.02 A 83 ASN HA H 1 4.44 0.02 A 83 ASN HBy H 1 2.57 0.02 A 83 ASN HBx H 1 2.49 0.02 A 83 ASN C C 13 174.1 0.3 A 83 ASN CA C 13 52.7 0.3 A 83 ASN CB C 13 38.7 0.3 A 83 ASN N N 15 120.5 0.3 A 84 ALA H H 1 7.94 0.02 A 84 ALA HA H 1 4.08 0.02 A 84 ALA HB% H 1 1.2 0.02 A 84 ALA C C 13 177.1 0.3 A 84 ALA CA C 13 52.4 0.3 A 84 ALA CB C 13 19.1 0.3 A 84 ALA N N 15 124.2 0.3 A 85 ARG H H 1 8.01 0.02 A 85 ARG HA H 1 4.15 0.02 A 85 ARG HBy H 1 1.73 0.02 A 85 ARG HBx H 1 1.62 0.02 A 85 ARG HD2 H 1 3.01 0.02 A 85 ARG HG2 H 1 1.49 0.02 A 85 ARG C C 13 175.2 0.3 A 85 ARG CA C 13 56 0.3 A 85 ARG CB C 13 30.8 0.3 A 85 ARG CD C 13 43.4 0.3 A 85 ARG CG C 13 26.7 0.3 A 85 ARG N N 15 119.9 0.3 A 86 GLU H H 1 7.78 0.02 A 86 GLU HB2 H 1 1.89 0.02 A 86 GLU HG2 H 1 2.04 0.02 A 86 GLU CA C 13 58 0.3 A 86 GLU CB C 13 30.9 0.3 A 86 GLU CG C 13 36.2 0.3 A 86 GLU N N 15 126.5 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 56 ALA H A 58 ASP H 1.0 . 5.50 2 2 A 40 LYS H A 48 PHE H 1.0 . 4.21 3 3 A 40 LYS H A 41 LYS H 1.0 . 5.50 4 4 A 40 LYS H A 47 ALA HB% 1.0 . 5.50 5 5 A 56 ALA H A 85 ARG HG2 1.0 . 3.76 6 5 A 56 ALA H A 85 ARG HGy 1.0 . 3.76 7 6 A 38 ASP H A 50 PHE H 1.0 . 4.42 8 7 A 38 ASP H A 37 CYS H 1.0 . 4.23 9 8 A 38 ASP H A 39 VAL HA 1.0 . 5.50 10 9 A 38 ASP H A 37 CYS HBy 1.0 . 4.76 11 10 A 71 PHE H A 73 GLY H 1.0 . 4.74 12 11 A 71 PHE H A 70 ASP H 1.0 . 5.00 13 12 A 71 PHE H A 74 ASN HBy 1.0 . 4.72 14 13 A 71 PHE H A 75 LYS HE2 1.0 . 5.00 15 13 A 71 PHE H A 75 LYS HEy 1.0 . 5.00 16 14 A 71 PHE H A 69 CYS HBx 1.0 . 5.00 17 15 A 71 PHE H A 72 GLU H 1.0 . 4.64 18 16 A 76 LEU H A 76 LEU HB2 1.0 . 3.83 19 16 A 76 LEU H A 76 LEU HBy 1.0 . 3.83 20 17 A 76 LEU H A 75 LYS HG2 1.0 . 4.65 21 17 A 76 LEU H A 75 LYS HGy 1.0 . 4.65 22 18 A 76 LEU H A 76 LEU HG 1.0 . 4.00 23 19 A 76 LEU H A 75 LYS H 1.0 . 5.20 24 20 A 76 LEU H A 77 ARG HA 1.0 . 5.50 25 21 A 68 GLY H A 78 VAL H 1.0 . 4.86 26 22 A 78 VAL H A 67 ASP HA 1.0 . 4.87 27 23 A 78 VAL H A 79 GLU HBx 1.0 . 5.50 28 24 A 78 VAL H A 77 ARG HDx 1.0 . 5.50 29 25 A 78 VAL H A 67 ASP HBy 1.0 . 5.00 30 26 A 35 LEU H A 53 PHE HA 1.0 . 5.07 31 27 A 35 LEU H A 52 GLU H 1.0 . 5.03 32 28 A 35 LEU H A 55 ASP H 1.0 . 5.00 33 29 A 35 LEU H A 36 LYS H 1.0 . 3.59 34 30 A 35 LEU H A 35 LEU HB2 1.0 . 3.82 35 30 A 35 LEU H A 35 LEU HBy 1.0 . 3.82 36 31 A 35 LEU H A 35 LEU HD1% 1.0 . 5.50 37 32 A 34 ILE H A 35 LEU HD2% 1.0 . 5.50 38 33 A 34 ILE H A 32 GLY HAy 1.0 . 4.75 39 34 A 34 ILE H A 25 GLU HA 1.0 . 5.44 40 35 A 34 ILE H A 30 LYS HA 1.0 . 5.00 41 36 A 34 ILE H A 34 ILE HG2% 1.0 . 4.88 42 37 A 35 LEU H A 34 ILE H 1.0 . 5.37 43 38 A 3 ILE HB A 4 ARG H 1.0 . 4.86 44 39 A 4 ARG H A 3 ILE HG2% 1.0 . 5.50 45 40 A 4 ARG H A 2 VAL HG2% 1.0 . 5.00 46 41 A 12 VAL H A 12 VAL HG2% 1.0 . 5.29 47 42 A 4 ARG H A 5 GLU HBx 1.0 . 5.11 48 43 A 52 GLU H A 52 GLU HGx 1.0 . 5.46 49 44 A 53 PHE H A 54 GLU H 1.0 . 5.50 50 45 A 37 CYS H A 36 LYS HE2 1.0 . 4.66 51 45 A 37 CYS H A 36 LYS HEy 1.0 . 4.66 52 46 A 37 CYS H A 36 LYS H 1.0 . 5.05 53 47 A 37 CYS H A 36 LYS HG2 1.0 . 5.50 54 47 A 37 CYS H A 36 LYS HGy 1.0 . 5.50 55 48 A 12 VAL H A 11 TYR H 1.0 . 5.39 56 49 A 46 ALA H A 47 ALA H 1.0 . 5.04 57 50 A 46 ALA H A 42 THR H 1.0 . 4.45 58 51 A 46 ALA H A 45 GLY H 1.0 . 3.59 59 52 A 11 TYR H A 10 ILE HB 1.0 . 4.59 60 53 A 9 ARG H A 10 ILE H 1.0 . 5.50 61 54 A 9 ARG H A 10 ILE HG1y 1.0 . 5.50 62 55 A 9 ARG H A 7 VAL HG2% 1.0 . 5.50 63 56 A 51 ILE H A 50 PHE HBx 1.0 . 5.03 64 56 A 50 PHE HB3 A 51 ILE H 1.0 . 5.03 65 57 A 70 ASP H A 71 PHE HD% 1.0 . 5.50 66 58 A 71 PHE H A 70 ASP H 1.0 . 4.98 67 59 A 76 LEU HG A 77 ARG H 1.0 . 4.77 68 60 A 77 ARG H A 75 LYS HG2 1.0 . 5.00 69 60 A 75 LYS HGy A 77 ARG H 1.0 . 5.00 70 61 A 77 ARG H A 76 LEU HD2% 1.0 . 4.86 71 62 A 76 LEU H A 77 ARG H 1.0 . 5.28 72 63 A 77 ARG H A 76 LEU HA 1.0 . 3.51 73 64 A 70 ASP H A 69 CYS HBx 1.0 . 4.64 74 65 A 61 ASP H A 62 ALA H 1.0 . 3.54 75 66 A 62 ALA H A 63 ILE H 1.0 . 5.00 76 67 A 62 ALA H A 31 TYR HD% 1.0 . 5.46 77 68 A 62 ALA H A 30 LYS HE2 1.0 . 4.43 78 68 A 62 ALA H A 30 LYS HEy 1.0 . 4.43 79 69 A 62 ALA H A 63 ILE HA 1.0 . 5.50 80 70 A 62 ALA H A 31 TYR HE% 1.0 . 5.50 81 71 A 62 ALA H A 59 ALA H 1.0 . 5.00 82 72 A 78 VAL HB A 79 GLU H 1.0 . 5.30 83 73 A 79 GLU H A 79 GLU HGx 1.0 . 5.00 84 74 A 79 GLU H A 63 ILE HD1% 1.0 . 5.50 85 75 A 79 GLU H A 78 VAL HG2% 1.0 . 5.00 86 76 A 79 GLU H A 63 ILE HG2% 1.0 . 5.00 87 77 A 28 PHE H A 29 ARG H 1.0 . 3.56 88 78 A 29 ARG H A 27 GLU H 1.0 . 5.33 89 79 A 29 ARG H A 31 TYR H 1.0 . 5.00 90 80 A 29 ARG H A 32 GLY H 1.0 . 5.50 91 81 A 31 TYR HD% A 29 ARG H 1.0 . 5.00 92 82 A 29 ARG H A 29 ARG HBx 1.0 . 3.83 93 83 A 29 ARG H A 30 LYS HGy 1.0 . 5.50 94 84 A 24 VAL H A 25 GLU H 1.0 . 3.57 95 85 A 27 GLU H A 25 GLU H 1.0 . 5.22 96 86 A 25 GLU H A 25 GLU HG2 1.0 . 3.89 97 86 A 25 GLU H A 25 GLU HGy 1.0 . 3.89 98 87 A 25 GLU H A 22 ARG HA 1.0 . 5.50 99 88 A 75 LYS H A 75 LYS HE2 1.0 . 5.11 100 88 A 75 LYS HEy A 75 LYS H 1.0 . 5.11 101 89 A 74 ASN HBy A 75 LYS H 1.0 . 5.00 102 90 A 75 LYS H A 75 LYS HBy 1.0 . 4.12 103 91 A 75 LYS H A 75 LYS HD2 1.0 . 4.00 104 91 A 75 LYS H A 75 LYS HDy 1.0 . 4.00 105 92 A 82 PHE H A 83 ASN HA 1.0 . 3.82 106 93 A 20 SER HA A 22 ARG H 1.0 . 4.17 107 94 A 22 ARG H A 20 SER HBx 1.0 . 4.23 108 95 A 25 GLU H A 22 ARG HG2 1.0 . 5.50 109 95 A 25 GLU H A 22 ARG HGy 1.0 . 5.50 110 96 A 71 PHE H A 74 ASN H 1.0 . 4.05 111 97 A 74 ASN HBy A 74 ASN H 1.0 . 4.04 112 98 A 74 ASN H A 75 LYS HE2 1.0 . 5.00 113 98 A 75 LYS HEy A 74 ASN H 1.0 . 5.00 114 99 A 79 GLU H A 80 VAL H 1.0 . 4.82 115 100 A 80 VAL H A 79 GLU HBy 1.0 . 4.40 116 101 A 80 VAL H A 79 GLU HGy 1.0 . 5.00 117 102 A 63 ILE HG2% A 80 VAL H 1.0 . 4.37 118 103 A 79 GLU HGx A 80 VAL H 1.0 . 4.24 119 104 A 58 ASP H A 60 ALA HB% 1.0 . 5.22 120 105 A 58 ASP H A 57 ARG H 1.0 . 3.64 121 106 A 58 ASP H A 59 ALA H 1.0 . 3.73 122 107 A 55 ASP H A 54 GLU H 1.0 . 4.37 123 108 A 35 LEU H A 54 GLU H 1.0 . 5.20 124 109 A 83 ASN H A 84 ALA H 1.0 . 3.78 125 110 A 42 THR HA A 43 VAL H 1.0 . 3.57 126 111 A 43 VAL H A 41 LYS HD2 1.0 . 5.50 127 111 A 43 VAL H A 41 LYS HDy 1.0 . 5.50 128 112 A 43 VAL H A 41 LYS HG2 1.0 . 5.50 129 112 A 43 VAL H A 41 LYS HGy 1.0 . 5.50 130 113 A 50 PHE H A 49 ALA H 1.0 . 5.28 131 114 A 48 PHE H A 49 ALA H 1.0 . 5.06 132 115 A 43 VAL H A 42 THR HB 1.0 . 3.73 133 116 A 43 VAL H A 43 VAL HG2% 1.0 . 4.64 134 117 A 85 ARG H A 86 GLU H 1.0 . 4.74 135 118 A 61 ASP H A 62 ALA H 1.0 . 3.87 136 119 A 61 ASP H A 60 ALA H 1.0 . 3.97 137 120 A 61 ASP H A 30 LYS HE2 1.0 . 4.86 138 120 A 61 ASP H A 30 LYS HEy 1.0 . 4.86 139 121 A 85 ARG H A 84 ALA HB% 1.0 . 5.50 140 122 A 7 VAL H A 8 SER HA 1.0 . 4.77 141 123 A 7 VAL H A 8 SER HBy 1.0 . 5.50 142 124 A 7 VAL HG2% A 7 VAL H 1.0 . 4.80 143 125 A 59 ALA H A 60 ALA HB% 1.0 . 4.37 144 126 A 59 ALA H A 30 LYS HE2 1.0 . 5.50 145 126 A 30 LYS HEy A 59 ALA H 1.0 . 5.50 146 127 A 24 VAL H A 26 ASN H 1.0 . 5.32 147 128 A 24 VAL H A 22 ARG HD2 1.0 . 5.26 148 128 A 24 VAL H A 22 ARG HDy 1.0 . 5.26 149 129 A 24 VAL H A 23 ASP HBy 1.0 . 5.20 150 130 A 24 VAL H A 20 SER H 1.0 . 5.50 151 131 A 24 VAL H A 22 ARG H 1.0 . 5.50 152 132 A 25 GLU HA A 24 VAL H 1.0 . 5.50 153 133 A 24 VAL H A 23 ASP HBx 1.0 . 5.36 154 134 A 79 GLU HBy A 69 CYS H 1.0 . 5.15 155 135 A 70 ASP H A 69 CYS H 1.0 . 5.06 156 136 A 57 ARG H A 85 ARG HG2 1.0 . 5.02 157 136 A 85 ARG HGy A 57 ARG H 1.0 . 5.02 158 137 A 56 ALA H A 57 ARG H 1.0 . 3.78 159 138 A 59 ALA H A 57 ARG H 1.0 . 5.27 160 139 A 20 SER H A 19 VAL H 1.0 . 5.21 161 140 A 20 SER H A 20 SER HBy 1.0 . 4.11 162 141 A 20 SER H A 19 VAL HG1% 1.0 . 5.50 163 142 A 79 GLU H A 69 CYS H 1.0 . 5.07 164 143 A 76 LEU H A 69 CYS H 1.0 . 5.00 165 144 A 68 GLY H A 69 CYS H 1.0 . 3.82 166 145 A 77 ARG H A 69 CYS H 1.0 . 5.39 167 146 A 20 SER HBx A 20 SER H 1.0 . 3.74 168 147 A 20 SER H A 22 ARG HD2 1.0 . 4.81 169 147 A 22 ARG HDy A 20 SER H 1.0 . 4.81 170 148 A 68 GLY H A 67 ASP H 1.0 . 5.11 171 149 A 67 ASP H A 66 LYS H 1.0 . 3.64 172 150 A 67 ASP H A 66 LYS HBx 1.0 . 4.99 173 150 A 67 ASP H A 66 LYS HB3 1.0 . 4.99 174 151 A 78 VAL HB A 67 ASP H 1.0 . 5.00 175 152 A 63 ILE HD1% A 67 ASP H 1.0 . 5.50 176 153 A 78 VAL HG2% A 67 ASP H 1.0 . 5.00 177 154 A 22 ARG HBx A 23 ASP H 1.0 . 4.45 178 155 A 28 PHE H A 27 GLU H 1.0 . 3.78 179 156 A 27 GLU H A 24 VAL HA 1.0 . 5.03 180 157 A 27 GLU H A 28 PHE HBy 1.0 . 5.00 181 158 A 27 GLU H A 27 GLU HGy 1.0 . 4.43 182 158 A 27 GLU H A 27 GLU HGx 1.0 . 4.43 183 159 A 20 SER H A 23 ASP H 1.0 . 4.65 184 160 A 25 GLU H A 23 ASP H 1.0 . 5.17 185 161 A 23 ASP H A 22 ARG HD2 1.0 . 4.54 186 161 A 22 ARG HDy A 23 ASP H 1.0 . 4.54 187 162 A 23 ASP H A 22 ARG HBy 1.0 . 4.37 188 163 A 22 ARG H A 23 ASP H 1.0 . 3.79 189 164 A 48 PHE H A 47 ALA H 1.0 . 5.05 190 165 A 48 PHE H A 40 LYS HBy 1.0 . 4.07 191 166 A 48 PHE H A 40 LYS HG2 1.0 . 5.00 192 166 A 48 PHE H A 40 LYS HGy 1.0 . 5.00 193 167 A 40 LYS H A 48 PHE H 1.0 . 4.50 194 168 A 48 PHE H A 42 THR H 1.0 . 5.00 195 169 A 41 LYS H A 42 THR H 1.0 . 5.08 196 170 A 40 LYS H A 41 LYS H 1.0 . 5.00 197 171 A 41 LYS H A 40 LYS HBy 1.0 . 5.04 198 172 A 41 LYS H A 40 LYS HG2 1.0 . 5.00 199 172 A 41 LYS H A 40 LYS HGy 1.0 . 5.00 200 173 A 21 SER H A 39 VAL HB 1.0 . 5.44 201 174 A 22 ARG H A 21 SER H 1.0 . 3.89 202 175 A 23 ASP H A 21 SER H 1.0 . 5.50 203 176 A 20 SER HA A 21 SER H 1.0 . 3.44 204 177 A 20 SER HBy A 21 SER H 1.0 . 3.92 205 178 A 22 ARG HA A 21 SER H 1.0 . 5.00 206 179 A 20 SER HBx A 21 SER H 1.0 . 3.78 207 180 A 7 VAL H A 8 SER H 1.0 . 4.41 208 181 A 8 SER H A 6 SER HB2 1.0 . 5.03 209 181 A 8 SER H A 6 SER HBy 1.0 . 5.03 210 182 A 64 LYS H A 64 LYS HDx 1.0 . 5.50 211 183 A 63 ILE HD1% A 64 LYS H 1.0 . 5.50 212 184 A 63 ILE HG2% A 64 LYS H 1.0 . 5.00 213 185 A 64 LYS H A 65 GLU H 1.0 . 3.99 214 186 A 64 LYS H A 64 LYS HDy 1.0 . 4.40 215 187 A 58 ASP H A 60 ALA H 1.0 . 5.27 216 188 A 59 ALA H A 60 ALA H 1.0 . 3.86 217 189 A 57 ARG H A 60 ALA H 1.0 . 5.50 218 190 A 31 TYR H A 30 LYS H 1.0 . 4.29 219 191 A 64 LYS H A 61 ASP HA 1.0 . 5.50 220 192 A 67 ASP HA A 64 LYS H 1.0 . 5.00 221 193 A 29 ARG H A 30 LYS H 1.0 . 4.25 222 194 A 63 ILE H A 63 ILE HG2% 1.0 . 5.50 223 195 A 63 ILE H A 63 ILE HD1% 1.0 . 4.00 224 196 A 36 LYS H A 52 GLU HGx 1.0 . 4.86 225 197 A 53 PHE HA A 55 ASP H 1.0 . 5.50 226 198 A 7 VAL H A 6 SER H 1.0 . 4.63 227 199 A 6 SER H A 5 GLU HG2 1.0 . 5.50 228 199 A 6 SER H A 5 GLU HGy 1.0 . 5.50 229 200 A 31 TYR HD% A 31 TYR H 1.0 . 3.71 230 201 A 31 TYR H A 32 GLY H 1.0 . 5.00 231 202 A 31 TYR H A 28 PHE HA 1.0 . 5.50 232 203 A 52 GLU H A 36 LYS H 1.0 . 4.18 233 204 A 36 LYS H A 35 LEU HB2 1.0 . 5.06 234 204 A 36 LYS H A 35 LEU HBy 1.0 . 5.06 235 205 A 36 LYS H A 34 ILE HG2% 1.0 . 5.00 236 206 A 63 ILE H A 64 LYS H 1.0 . 3.62 237 207 A 19 VAL H A 19 VAL HG1% 1.0 . 4.75 238 208 A 38 ASP H A 50 PHE H 1.0 . 4.13 239 209 A 50 PHE H A 39 VAL H 1.0 . 5.00 240 210 A 47 ALA H A 15 LEU H 1.0 . 4.82 241 211 A 47 ALA HB% A 15 LEU H 1.0 . 5.50 242 212 A 17 SER H A 17 SER HB2 1.0 . 3.71 243 212 A 17 SER H A 17 SER HBy 1.0 . 3.71 244 213 A 32 GLY HAy A 33 ASN H 1.0 . 3.45 245 214 A 25 GLU H A 26 ASN H 1.0 . 3.93 246 215 A 24 VAL H A 26 ASN H 1.0 . 4.89 247 216 A 26 ASN H A 23 ASP H 1.0 . 5.00 248 217 A 27 GLU H A 26 ASN H 1.0 . 3.85 249 218 A 26 ASN H A 24 VAL HA 1.0 . 5.29 250 219 A 26 ASN H A 25 GLU HG2 1.0 . 5.10 251 219 A 25 GLU HGy A 26 ASN H 1.0 . 5.10 252 220 A 26 ASN H A 25 GLU HBx 1.0 . 4.66 253 221 A 26 ASN H A 27 GLU HB2 1.0 . 5.00 254 221 A 26 ASN H A 27 GLU HBy 1.0 . 5.00 255 222 A 26 ASN H A 24 VAL HG1% 1.0 . 5.50 256 223 A 10 ILE H A 11 TYR HA 1.0 . 5.50 257 224 A 66 LYS H A 64 LYS H 1.0 . 5.47 258 225 A 66 LYS H A 66 LYS HE2 1.0 . 5.50 259 225 A 66 LYS H A 66 LYS HEy 1.0 . 5.50 260 226 A 66 LYS H A 65 GLU HGx 1.0 . 4.51 261 227 A 66 LYS H A 64 LYS HDy 1.0 . 5.50 262 228 A 13 GLY H A 14 ASN H 1.0 . 5.44 263 229 A 15 LEU H A 14 ASN H 1.0 . 3.91 264 230 A 28 PHE H A 27 GLU HGy 1.0 . 5.17 265 230 A 28 PHE H A 27 GLU HGx 1.0 . 5.17 266 231 A 28 PHE H A 24 VAL HB 1.0 . 5.00 267 232 A 28 PHE H A 27 GLU HB2 1.0 . 4.57 268 232 A 28 PHE H A 27 GLU HBy 1.0 . 4.57 269 233 A 66 LYS H A 65 GLU H 1.0 . 3.70 270 234 A 65 GLU H A 66 LYS HE2 1.0 . 4.73 271 234 A 65 GLU H A 66 LYS HEy 1.0 . 4.73 272 235 A 65 GLU H A 66 LYS HBx 1.0 . 4.24 273 235 A 66 LYS HB3 A 65 GLU H 1.0 . 4.24 274 236 A 65 GLU H A 64 LYS HDy 1.0 . 4.40 275 237 A 43 VAL H A 44 SER H 1.0 . 3.91 276 238 A 42 THR H A 47 ALA HA 1.0 . 3.60 277 239 A 42 THR H A 41 LYS HD2 1.0 . 4.27 278 239 A 42 THR H A 41 LYS HDy 1.0 . 4.27 279 240 A 42 THR H A 41 LYS HG2 1.0 . 4.16 280 240 A 42 THR H A 41 LYS HGy 1.0 . 4.16 281 241 A 41 LYS H A 42 THR H 1.0 . 5.09 282 242 A 13 GLY H A 12 VAL HB 1.0 . 5.50 283 243 A 42 THR H A 45 GLY H 1.0 . 4.81 284 244 A 71 PHE H A 73 GLY H 1.0 . 4.86 285 245 A 73 GLY H A 74 ASN H 1.0 . 3.82 286 246 A 73 GLY H A 72 GLU H 1.0 . 4.07 287 247 A 32 GLY H A 33 ASN H 1.0 . 5.14 288 248 A 31 TYR H A 32 GLY H 1.0 . 3.52 289 249 A 32 GLY H A 29 ARG HA 1.0 . 5.50 290 250 A 24 VAL HA A 27 GLU HB2 1.0 . 4.54 291 250 A 24 VAL HA A 27 GLU HBy 1.0 . 4.54 292 251 A 24 VAL HA A 25 GLU HBx 1.0 . 5.00 293 252 A 24 VAL HA A 24 VAL HG1% 1.0 . 3.56 294 253 A 20 SER HBy A 21 SER H 1.0 . 3.71 295 254 A 22 ARG H A 20 SER HBy 1.0 . 4.03 296 255 A 63 ILE HA A 63 ILE HG2% 1.0 . 3.35 297 256 A 63 ILE HA A 63 ILE HD1% 1.0 . 4.00 298 257 A 43 VAL HG2% A 43 VAL HA 1.0 . 3.30 299 258 A 8 SER HBy A 8 SER H 1.0 . 3.96 300 259 A 7 VAL HA A 6 SER HB2 1.0 . 4.52 301 259 A 6 SER HBy A 7 VAL HA 1.0 . 4.52 302 260 A 8 SER HA A 6 SER HB2 1.0 . 5.00 303 260 A 8 SER HA A 6 SER HBy 1.0 . 5.00 304 261 A 9 ARG H A 8 SER HBy 1.0 . 4.27 305 262 A 44 SER H A 44 SER HB2 1.0 . 3.84 306 262 A 44 SER H A 44 SER HBy 1.0 . 3.84 307 263 A 6 SER H A 6 SER HB2 1.0 . 4.17 308 263 A 6 SER HBy A 6 SER H 1.0 . 4.17 309 264 A 8 SER H A 8 SER HBx 1.0 . 3.96 310 265 A 9 ARG H A 8 SER HBx 1.0 . 4.58 311 266 A 17 SER H A 17 SER HB2 1.0 . 3.25 312 266 A 17 SER H A 17 SER HBy 1.0 . 3.25 313 267 A 16 PRO HGy A 17 SER HB2 1.0 . 4.58 314 267 A 16 PRO HGx A 17 SER HB2 1.0 . 4.58 315 267 A 17 SER HBy A 16 PRO HGy 1.0 . 4.58 316 267 A 17 SER HBy A 16 PRO HGx 1.0 . 4.58 317 268 A 82 PHE H A 81 PRO HA 1.0 . 3.08 318 269 A 17 SER H A 16 PRO HA 1.0 . 3.04 319 270 A 24 VAL HB A 21 SER HA 1.0 . 4.07 320 271 A 21 SER HA A 39 VAL HG1% 1.0 . 3.56 321 272 A 24 VAL HG1% A 21 SER HA 1.0 . 4.54 322 273 A 20 SER H A 19 VAL HA 1.0 . 2.85 323 274 A 23 ASP HBy A 19 VAL HA 1.0 . 4.21 324 275 A 23 ASP HBx A 19 VAL HA 1.0 . 4.69 325 276 A 50 PHE H A 39 VAL HA 1.0 . 4.09 326 277 A 40 LYS H A 39 VAL HA 1.0 . 3.02 327 278 A 39 VAL HA A 39 VAL HG2% 1.0 . 3.48 328 279 A 39 VAL HA A 39 VAL HG1% 1.0 . 4.00 329 280 A 35 LEU H A 34 ILE HA 1.0 . 3.19 330 281 A 53 PHE HA A 34 ILE HA 1.0 . 3.54 331 282 A 79 GLU H A 78 VAL HA 1.0 . 3.17 332 283 A 63 ILE HD1% A 78 VAL HA 1.0 . 3.84 333 284 A 25 GLU HA A 25 GLU HG2 1.0 . 3.89 334 284 A 25 GLU HA A 25 GLU HGy 1.0 . 3.89 335 285 A 25 GLU HA A 24 VAL HG2% 1.0 . 4.62 336 286 A 12 VAL HA A 12 VAL HG1% 1.0 . 3.39 337 287 A 31 TYR HD% A 31 TYR HA 1.0 . 3.51 338 288 A 32 GLY H A 31 TYR HA 1.0 . 5.00 339 289 A 35 LEU HD1% A 54 GLU HA 1.0 . 3.42 340 290 A 35 LEU HD2% A 54 GLU HA 1.0 . 4.35 341 291 A 60 ALA H A 57 ARG HA 1.0 . 4.42 342 292 A 22 ARG HA A 25 GLU HBy 1.0 . 3.73 343 293 A 22 ARG HA A 25 GLU HBx 1.0 . 3.63 344 294 A 22 ARG HA A 22 ARG HG2 1.0 . 3.53 345 294 A 22 ARG HA A 22 ARG HGy 1.0 . 3.53 346 295 A 57 ARG HA A 57 ARG HG2 1.0 . 3.29 347 295 A 57 ARG HA A 57 ARG HGy 1.0 . 3.29 348 296 A 29 ARG HA A 29 ARG HD2 1.0 . 4.34 349 296 A 29 ARG HA A 29 ARG HDy 1.0 . 4.34 350 297 A 44 SER HA A 44 SER HB2 1.0 . 3.01 351 297 A 44 SER HBy A 44 SER HA 1.0 . 3.01 352 298 A 67 ASP HA A 78 VAL HG2% 1.0 . 5.00 353 299 A 7 VAL H A 6 SER HA 1.0 . 2.83 354 300 A 83 ASN H A 82 PHE HA 1.0 . 3.19 355 301 A 7 VAL HG2% A 8 SER HA 1.0 . 4.87 356 302 A 67 ASP HA A 63 ILE HD1% 1.0 . 5.00 357 303 A 67 ASP HA A 78 VAL HB 1.0 . 3.74 358 304 A 64 LYS HDy A 65 GLU HA 1.0 . 3.84 359 305 A 82 PHE HA A 82 PHE HD% 1.0 . 4.18 360 306 A 30 LYS HA A 59 ALA HB% 1.0 . 5.16 361 307 A 23 ASP HA A 26 ASN HBy 1.0 . 3.82 362 308 A 27 GLU HA A 27 GLU HGy 1.0 . 3.51 363 308 A 27 GLU HGx A 27 GLU HA 1.0 . 3.51 364 309 A 26 ASN H A 23 ASP HA 1.0 . 4.19 365 310 A 29 ARG H A 27 GLU HA 1.0 . 4.70 366 311 A 62 ALA H A 61 ASP HA 1.0 . 3.53 367 312 A 64 LYS H A 61 ASP HA 1.0 . 5.00 368 313 A 72 GLU HA A 72 GLU HGy 1.0 . 3.60 369 314 A 72 GLU HA A 72 GLU HGx 1.0 . 4.00 370 315 A 50 PHE HA A 50 PHE HE% 1.0 . 4.31 371 316 A 51 ILE H A 50 PHE HA 1.0 . 3.25 372 317 A 6 SER H A 5 GLU HA 1.0 . 2.90 373 318 A 26 ASN HA A 29 ARG HGy 1.0 . 4.47 374 319 A 12 VAL H A 11 TYR HA 1.0 . 3.13 375 320 A 37 CYS H A 36 LYS HA 1.0 . 2.85 376 321 A 4 ARG HA A 5 GLU H 1.0 . 2.92 377 322 A 86 GLU H A 85 ARG HA 1.0 . 3.28 378 323 A 15 LEU HD1% A 48 PHE HA 1.0 . 3.94 379 324 A 18 HIS HA A 18 HIS HBx 1.0 . 2.50 380 325 A 76 LEU H A 75 LYS HA 1.0 . 2.94 381 326 A 59 ALA H A 56 ALA HA 1.0 . 4.00 382 327 A 58 ASP H A 56 ALA HA 1.0 . 4.62 383 328 A 53 PHE H A 52 GLU HA 1.0 . 2.88 384 329 A 64 LYS H A 60 ALA HA 1.0 . 4.13 385 330 A 62 ALA H A 60 ALA HA 1.0 . 5.00 386 331 A 63 ILE HG2% A 60 ALA HA 1.0 . 4.41 387 332 A 63 ILE HD1% A 60 ALA HA 1.0 . 5.00 388 333 A 42 THR H A 41 LYS HA 1.0 . 3.11 389 334 A 71 PHE H A 70 ASP HA 1.0 . 3.20 390 335 A 64 LYS HDy A 62 ALA HA 1.0 . 4.56 391 336 A 9 ARG HA A 10 ILE HG2% 1.0 . 5.32 392 337 A 7 VAL HG2% A 9 ARG HA 1.0 . 5.00 393 338 A 10 ILE H A 9 ARG HA 1.0 . 3.11 394 339 A 61 ASP H A 59 ALA HA 1.0 . 4.81 395 340 A 63 ILE H A 59 ALA HA 1.0 . 5.00 396 341 A 60 ALA HB% A 59 ALA HA 1.0 . 5.01 397 342 A 62 ALA H A 59 ALA HA 1.0 . 4.40 398 343 A 34 ILE H A 33 ASN HA 1.0 . 2.80 399 344 A 77 ARG HA A 77 ARG HG2 1.0 . 3.44 400 344 A 77 ARG HA A 77 ARG HGy 1.0 . 3.44 401 345 A 77 ARG HA A 78 VAL H 1.0 . 3.11 402 346 A 41 LYS H A 40 LYS HA 1.0 . 2.99 403 347 A 40 LYS HA A 40 LYS HD2 1.0 . 4.23 404 347 A 40 LYS HA A 40 LYS HDy 1.0 . 4.23 405 348 A 40 LYS HA A 41 LYS HD2 1.0 . 5.00 406 348 A 41 LYS HDy A 40 LYS HA 1.0 . 5.00 407 349 A 40 LYS HA A 41 LYS HBx 1.0 . 5.00 408 350 A 15 LEU H A 14 ASN HA 1.0 . 3.54 409 351 A 47 ALA H A 14 ASN HA 1.0 . 4.27 410 352 A 39 VAL H A 38 ASP HA 1.0 . 2.69 411 353 A 38 ASP H A 38 ASP HA 1.0 . 4.00 412 354 A 83 ASN HA A 84 ALA HB% 1.0 . 4.29 413 355 A 83 ASN HA A 84 ALA H 1.0 . 3.05 414 356 A 56 ALA H A 55 ASP HA 1.0 . 2.99 415 357 A 55 ASP HA A 56 ALA HB% 1.0 . 4.36 416 358 A 85 ARG H A 84 ALA HA 1.0 . 3.10 417 359 A 47 ALA H A 46 ALA HA 1.0 . 2.82 418 360 A 14 ASN HA A 46 ALA HA 1.0 . 3.48 419 361 A 47 ALA HA A 41 LYS HBx 1.0 . 4.78 420 362 A 47 ALA HA A 41 LYS HD2 1.0 . 5.00 421 362 A 41 LYS HDy A 47 ALA HA 1.0 . 5.00 422 363 A 47 ALA HA A 42 THR HG2% 1.0 . 4.90 423 364 A 48 PHE H A 47 ALA HA 1.0 . 2.90 424 365 A 47 ALA HA A 41 LYS HA 1.0 . 3.15 425 366 A 15 LEU HBx A 16 PRO HDy 1.0 . 4.63 426 367 A 15 LEU HBx A 16 PRO HDx 1.0 . 4.28 427 368 A 48 PHE H A 49 ALA HA 1.0 . 4.84 428 369 A 51 ILE H A 49 ALA HA 1.0 . 5.00 429 370 A 40 LYS H A 49 ALA HA 1.0 . 3.74 430 371 A 50 PHE H A 49 ALA HA 1.0 . 2.95 431 372 A 39 VAL HA A 49 ALA HA 1.0 . 3.17 432 373 A 39 VAL HG2% A 49 ALA HA 1.0 . 4.23 433 374 A 39 VAL HG1% A 49 ALA HA 1.0 . 5.00 434 375 A 56 ALA H A 55 ASP HBy 1.0 . 4.44 435 376 A 57 ARG H A 55 ASP HBy 1.0 . 4.47 436 377 A 58 ASP H A 55 ASP HBy 1.0 . 4.37 437 378 A 38 ASP HBy A 36 LYS HD2 1.0 . 4.70 438 378 A 36 LYS HDy A 38 ASP HBy 1.0 . 4.70 439 379 A 38 ASP HBy A 36 LYS HBx 1.0 . 5.00 440 380 A 38 ASP HBy A 36 LYS HG2 1.0 . 4.90 441 380 A 36 LYS HGy A 38 ASP HBy 1.0 . 4.90 442 381 A 38 ASP HBy A 37 CYS HA 1.0 . 4.77 443 382 A 38 ASP HBy A 50 PHE HBx 1.0 . 4.45 444 382 A 50 PHE HB3 A 38 ASP HBy 1.0 . 4.45 445 383 A 37 CYS HBy A 38 ASP HBy 1.0 . 5.00 446 384 A 54 GLU HGx A 55 ASP HBx 1.0 . 4.99 447 385 A 56 ALA H A 55 ASP HBx 1.0 . 4.55 448 386 A 38 ASP H A 38 ASP HBx 1.0 . 3.50 449 387 A 39 VAL H A 38 ASP HBx 1.0 . 4.00 450 388 A 38 ASP H A 38 ASP HBy 1.0 . 3.43 451 389 A 9 ARG HB3 A 9 ARG HD2 1.0 . 3.84 452 389 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.84 453 389 A 9 ARG HB3 A 9 ARG HDy 1.0 . 3.84 454 389 A 9 ARG HBx A 9 ARG HD2 1.0 . 3.84 455 390 A 77 ARG HA A 77 ARG HDy 1.0 . 4.61 456 391 A 77 ARG HA A 77 ARG HDx 1.0 . 4.42 457 392 A 57 ARG HA A 57 ARG HD2 1.0 . 4.61 458 392 A 57 ARG HA A 57 ARG HDy 1.0 . 4.61 459 393 A 55 ASP HBx A 57 ARG HD2 1.0 . 4.79 460 393 A 55 ASP HBx A 57 ARG HDy 1.0 . 4.79 461 394 A 11 TYR HE% A 13 GLY HAx 1.0 . 4.23 462 395 A 29 ARG HBx A 29 ARG HD2 1.0 . 4.07 463 395 A 29 ARG HBx A 29 ARG HDy 1.0 . 4.07 464 396 A 77 ARG HDx A 77 ARG HBx 1.0 . 3.51 465 396 A 77 ARG HDx A 77 ARG HB3 1.0 . 3.51 466 397 A 57 ARG HBx A 57 ARG HD2 1.0 . 3.43 467 397 A 57 ARG HB3 A 57 ARG HD2 1.0 . 3.43 468 397 A 57 ARG HDy A 57 ARG HBx 1.0 . 3.43 469 397 A 57 ARG HDy A 57 ARG HB3 1.0 . 3.43 470 398 A 85 ARG HA A 85 ARG HD2 1.0 . 4.56 471 398 A 85 ARG HA A 85 ARG HDy 1.0 . 4.56 472 399 A 22 ARG HA A 22 ARG HD2 1.0 . 3.95 473 399 A 22 ARG HA A 22 ARG HDy 1.0 . 3.95 474 400 A 71 PHE H A 70 ASP HBy 1.0 . 4.65 475 401 A 70 ASP H A 70 ASP HBy 1.0 . 3.20 476 402 A 70 ASP H A 70 ASP HBx 1.0 . 3.17 477 403 A 36 LYS H A 35 LEU HB2 1.0 . 4.78 478 403 A 36 LYS H A 35 LEU HBy 1.0 . 4.78 479 404 A 50 PHE H A 50 PHE HBx 1.0 . 3.84 480 404 A 50 PHE H A 50 PHE HB3 1.0 . 3.84 481 405 A 39 VAL HG1% A 50 PHE HBx 1.0 . 4.76 482 405 A 50 PHE HB3 A 39 VAL HG1% 1.0 . 4.76 483 406 A 51 ILE HG1x A 50 PHE HBx 1.0 . 5.00 484 406 A 50 PHE HB3 A 51 ILE HG1x 1.0 . 5.00 485 407 A 39 VAL HG2% A 50 PHE HBx 1.0 . 5.00 486 407 A 50 PHE HB3 A 39 VAL HG2% 1.0 . 5.00 487 408 A 39 VAL HG2% A 41 LYS HE2 1.0 . 5.00 488 408 A 39 VAL HG2% A 41 LYS HEy 1.0 . 5.00 489 409 A 51 ILE H A 50 PHE HBx 1.0 . 4.60 490 409 A 50 PHE HB3 A 51 ILE H 1.0 . 4.60 491 410 A 52 GLU H A 50 PHE HBx 1.0 . 5.00 492 410 A 52 GLU H A 50 PHE HB3 1.0 . 5.00 493 411 A 74 ASN H A 75 LYS HE2 1.0 . 4.32 494 411 A 75 LYS HEy A 74 ASN H 1.0 . 4.32 495 412 A 64 LYS HEy A 65 GLU HB2 1.0 . 4.95 496 412 A 64 LYS HE2 A 65 GLU HB2 1.0 . 4.95 497 412 A 65 GLU HBy A 64 LYS HE2 1.0 . 4.95 498 412 A 64 LYS HEy A 65 GLU HBy 1.0 . 4.95 499 413 A 65 GLU HGx A 64 LYS HE2 1.0 . 5.00 500 413 A 65 GLU HGx A 64 LYS HEy 1.0 . 5.00 501 414 A 37 CYS HA A 50 PHE HBx 1.0 . 3.85 502 414 A 50 PHE HB3 A 37 CYS HA 1.0 . 3.85 503 415 A 42 THR HA A 41 LYS HE2 1.0 . 5.00 504 415 A 42 THR HA A 41 LYS HEy 1.0 . 5.00 505 416 A 37 CYS HA A 36 LYS HE2 1.0 . 5.00 506 416 A 36 LYS HEy A 37 CYS HA 1.0 . 5.00 507 417 A 73 GLY HAx A 75 LYS HE2 1.0 . 4.52 508 417 A 75 LYS HEy A 73 GLY HAx 1.0 . 4.52 509 418 A 75 LYS HEy A 75 LYS HG2 1.0 . 4.07 510 418 A 75 LYS HE2 A 75 LYS HG2 1.0 . 4.07 511 418 A 75 LYS HGy A 75 LYS HE2 1.0 . 4.07 512 418 A 75 LYS HEy A 75 LYS HGy 1.0 . 4.07 513 419 A 40 LYS HE2 A 40 LYS HG2 1.0 . 4.00 514 419 A 40 LYS HEy A 40 LYS HG2 1.0 . 4.00 515 419 A 40 LYS HGy A 40 LYS HE2 1.0 . 4.00 516 419 A 40 LYS HGy A 40 LYS HEy 1.0 . 4.00 517 420 A 38 ASP HBx A 36 LYS HE2 1.0 . 4.66 518 420 A 36 LYS HEy A 38 ASP HBx 1.0 . 4.66 519 421 A 31 TYR HE% A 66 LYS HE2 1.0 . 4.19 520 421 A 31 TYR HE% A 66 LYS HEy 1.0 . 4.19 521 422 A 66 LYS HE2 A 66 LYS HG2 1.0 . 3.91 522 422 A 66 LYS HEy A 66 LYS HG2 1.0 . 3.91 523 422 A 66 LYS HGy A 66 LYS HE2 1.0 . 3.91 524 422 A 66 LYS HEy A 66 LYS HGy 1.0 . 3.91 525 423 A 66 LYS HA A 66 LYS HE2 1.0 . 4.39 526 423 A 66 LYS HEy A 66 LYS HA 1.0 . 4.39 527 424 A 59 ALA HB% A 30 LYS HE2 1.0 . 4.14 528 424 A 30 LYS HEy A 59 ALA HB% 1.0 . 4.14 529 425 A 31 TYR HE% A 30 LYS HE2 1.0 . 5.18 530 425 A 30 LYS HEy A 31 TYR HE% 1.0 . 5.18 531 426 A 65 GLU HGy A 66 LYS HE2 1.0 . 2.72 532 426 A 66 LYS HEy A 65 GLU HGy 1.0 . 2.72 533 427 A 67 ASP HBy A 67 ASP H 1.0 . 3.54 534 428 A 67 ASP HBy A 78 VAL HG2% 1.0 . 5.32 535 429 A 49 ALA H A 48 PHE HBy 1.0 . 4.41 536 430 A 49 ALA H A 48 PHE HBx 1.0 . 4.43 537 431 A 67 ASP H A 67 ASP HBx 1.0 . 3.51 538 432 A 78 VAL HB A 67 ASP HBx 1.0 . 4.12 539 433 A 54 GLU H A 53 PHE HBy 1.0 . 4.17 540 434 A 28 PHE HBy A 51 ILE HD1% 1.0 . 5.17 541 435 A 23 ASP HBy A 20 SER H 1.0 . 3.89 542 436 A 23 ASP HBy A 23 ASP H 1.0 . 3.64 543 437 A 24 VAL H A 23 ASP HBy 1.0 . 5.00 544 438 A 23 ASP HBy A 19 VAL HB 1.0 . 4.22 545 439 A 23 ASP HBy A 24 VAL HG1% 1.0 . 4.02 546 440 A 23 ASP HBx A 24 VAL HG1% 1.0 . 3.93 547 441 A 23 ASP HBx A 19 VAL HB 1.0 . 4.17 548 442 A 20 SER H A 23 ASP HBx 1.0 . 4.30 549 443 A 23 ASP HBx A 23 ASP H 1.0 . 3.64 550 444 A 24 VAL H A 23 ASP HBx 1.0 . 5.00 551 445 A 51 ILE HD1% A 28 PHE HBx 1.0 . 4.91 552 446 A 28 PHE H A 28 PHE HBx 1.0 . 4.04 553 447 A 12 VAL H A 11 TYR HBy 1.0 . 4.76 554 447 A 12 VAL H A 11 TYR HBx 1.0 . 4.76 555 448 A 11 TYR H A 11 TYR HBy 1.0 . 3.58 556 448 A 11 TYR H A 11 TYR HBx 1.0 . 3.58 557 449 A 51 ILE HB A 82 PHE HE% 1.0 . 4.82 558 450 A 51 ILE H A 51 ILE HB 1.0 . 4.00 559 451 A 51 ILE HB A 10 ILE HD1% 1.0 . 4.33 560 452 A 24 VAL HG2% A 51 ILE HB 1.0 . 5.00 561 453 A 61 ASP H A 61 ASP HBy 1.0 . 3.56 562 454 A 61 ASP H A 61 ASP HBx 1.0 . 3.54 563 455 A 62 ALA H A 61 ASP HBx 1.0 . 3.91 564 456 A 59 ALA H A 58 ASP HBy 1.0 . 4.23 565 457 A 58 ASP H A 58 ASP HBx 1.0 . 4.20 566 458 A 34 ILE HB A 51 ILE HA 1.0 . 4.53 567 459 A 33 ASN HA A 34 ILE HB 1.0 . 5.00 568 460 A 34 ILE HB A 34 ILE HD1% 1.0 . 3.64 569 461 A 74 ASN HBy A 75 LYS H 1.0 . 4.61 570 462 A 74 ASN HBy A 74 ASN H 1.0 . 3.82 571 463 A 75 LYS H A 74 ASN HBx 1.0 . 4.74 572 464 A 74 ASN H A 74 ASN HBx 1.0 . 3.94 573 465 A 73 GLY HAx A 74 ASN HBx 1.0 . 4.60 574 466 A 58 ASP H A 58 ASP HBy 1.0 . 3.93 575 467 A 59 ALA H A 58 ASP HBx 1.0 . 4.39 576 468 A 82 PHE H A 82 PHE HBy 1.0 . 3.84 577 469 A 82 PHE H A 82 PHE HBx 1.0 . 3.86 578 470 A 63 ILE H A 63 ILE HB 1.0 . 3.55 579 471 A 63 ILE HB A 66 LYS HG2 1.0 . 4.97 580 471 A 66 LYS HGy A 63 ILE HB 1.0 . 4.97 581 472 A 63 ILE HB A 64 LYS HGy 1.0 . 5.00 582 472 A 63 ILE HB A 64 LYS HGx 1.0 . 5.00 583 473 A 60 ALA HB% A 63 ILE HB 1.0 . 5.00 584 474 A 83 ASN H A 83 ASN HBy 1.0 . 4.03 585 475 A 83 ASN H A 83 ASN HBx 1.0 . 4.06 586 476 A 84 ALA H A 83 ASN HBx 1.0 . 4.36 587 477 A 33 ASN HBy A 54 GLU HB2 1.0 . 4.20 588 477 A 33 ASN HBy A 54 GLU HBy 1.0 . 4.20 589 478 A 33 ASN H A 33 ASN HBy 1.0 . 3.45 590 479 A 34 ILE H A 33 ASN HBy 1.0 . 4.31 591 480 A 33 ASN H A 33 ASN HBx 1.0 . 3.50 592 481 A 33 ASN HBx A 54 GLU HB2 1.0 . 4.09 593 481 A 54 GLU HBy A 33 ASN HBx 1.0 . 4.09 594 482 A 54 GLU HGx A 33 ASN HBx 1.0 . 4.06 595 483 A 26 ASN H A 26 ASN HBy 1.0 . 3.45 596 484 A 27 GLU H A 26 ASN HBy 1.0 . 4.76 597 485 A 26 ASN H A 26 ASN HBx 1.0 . 3.34 598 486 A 31 TYR HBx A 62 ALA HB% 1.0 . 5.01 599 487 A 31 TYR HE% A 65 GLU HGy 1.0 . 4.54 600 488 A 65 GLU HA A 65 GLU HGy 1.0 . 3.87 601 489 A 65 GLU H A 65 GLU HGy 1.0 . 3.96 602 490 A 65 GLU HGy A 66 LYS HBx 1.0 . 3.64 603 490 A 66 LYS HB3 A 65 GLU HGy 1.0 . 3.64 604 491 A 64 LYS HDy A 65 GLU HGy 1.0 . 4.01 605 492 A 65 GLU HGy A 64 LYS HGy 1.0 . 5.11 606 492 A 65 GLU HGy A 64 LYS HGx 1.0 . 5.11 607 493 A 65 GLU HGy A 66 LYS HG2 1.0 . 5.00 608 493 A 66 LYS HGy A 65 GLU HGy 1.0 . 5.00 609 494 A 65 GLU H A 65 GLU HGx 1.0 . 4.02 610 495 A 31 TYR HE% A 65 GLU HGx 1.0 . 4.77 611 496 A 64 LYS HDy A 65 GLU HGx 1.0 . 4.15 612 497 A 34 ILE HD1% A 25 GLU HG2 1.0 . 4.72 613 497 A 25 GLU HGy A 34 ILE HD1% 1.0 . 4.72 614 498 A 65 GLU HGx A 64 LYS HGy 1.0 . 4.93 615 498 A 65 GLU HGx A 64 LYS HGx 1.0 . 4.93 616 499 A 65 GLU HGx A 66 LYS HG2 1.0 . 5.00 617 499 A 65 GLU HGx A 66 LYS HGy 1.0 . 5.00 618 500 A 25 GLU HBx A 25 GLU HG2 1.0 . 2.72 619 500 A 25 GLU HGy A 25 GLU HBx 1.0 . 2.72 620 501 A 37 CYS H A 36 LYS HBy 1.0 . 4.48 621 502 A 35 LEU HD2% A 54 GLU HGx 1.0 . 5.21 622 503 A 37 CYS H A 36 LYS HBx 1.0 . 4.58 623 504 A 54 GLU H A 54 GLU HGy 1.0 . 4.60 624 505 A 35 LEU HD2% A 54 GLU HGy 1.0 . 5.22 625 506 A 54 GLU H A 54 GLU HGx 1.0 . 4.87 626 507 A 54 GLU HA A 54 GLU HGx 1.0 . 3.95 627 508 A 35 LEU HD1% A 54 GLU HGx 1.0 . 5.05 628 509 A 86 GLU H A 86 GLU HG2 1.0 . 4.71 629 509 A 86 GLU H A 86 GLU HGy 1.0 . 4.71 630 510 A 86 GLU HBy A 86 GLU HG2 1.0 . 2.47 631 510 A 86 GLU HB2 A 86 GLU HG2 1.0 . 2.47 632 510 A 86 GLU HGy A 86 GLU HB2 1.0 . 2.47 633 510 A 86 GLU HGy A 86 GLU HBy 1.0 . 2.47 634 511 A 5 GLU H A 5 GLU HG2 1.0 . 4.28 635 511 A 5 GLU HGy A 5 GLU H 1.0 . 4.28 636 512 A 5 GLU HA A 5 GLU HG2 1.0 . 3.96 637 512 A 5 GLU HGy A 5 GLU HA 1.0 . 3.96 638 513 A 5 GLU HBy A 5 GLU HG2 1.0 . 2.81 639 513 A 5 GLU HGy A 5 GLU HBy 1.0 . 2.81 640 514 A 41 LYS H A 40 LYS HBy 1.0 . 3.94 641 515 A 40 LYS H A 40 LYS HBx 1.0 . 3.94 642 516 A 41 LYS H A 40 LYS HBx 1.0 . 4.43 643 517 A 40 LYS HBx A 48 PHE HD% 1.0 . 4.81 644 518 A 42 THR H A 41 LYS HBy 1.0 . 4.10 645 519 A 41 LYS H A 41 LYS HBy 1.0 . 3.99 646 520 A 42 THR H A 41 LYS HBx 1.0 . 4.33 647 521 A 40 LYS H A 41 LYS HBx 1.0 . 5.00 648 522 A 41 LYS H A 41 LYS HBx 1.0 . 3.92 649 523 A 72 GLU H A 72 GLU HGy 1.0 . 4.29 650 524 A 72 GLU H A 72 GLU HGx 1.0 . 4.23 651 525 A 79 GLU H A 79 GLU HGy 1.0 . 4.91 652 526 A 80 VAL H A 79 GLU HGy 1.0 . 4.84 653 527 A 80 VAL H A 79 GLU HBy 1.0 . 4.31 654 528 A 79 GLU HBx A 80 VAL H 1.0 . 4.05 655 529 A 66 LYS H A 66 LYS HBx 1.0 . 3.86 656 529 A 66 LYS H A 66 LYS HB3 1.0 . 3.86 657 530 A 66 LYS HBx A 66 LYS HD2 1.0 . 3.44 658 530 A 66 LYS HB3 A 66 LYS HD2 1.0 . 3.44 659 530 A 66 LYS HDy A 66 LYS HBx 1.0 . 3.44 660 530 A 66 LYS HB3 A 66 LYS HDy 1.0 . 3.44 661 531 A 67 ASP HBy A 78 VAL HB 1.0 . 3.59 662 532 A 78 VAL HB A 63 ILE HD1% 1.0 . 3.76 663 533 A 78 VAL H A 78 VAL HB 1.0 . 4.00 664 534 A 9 ARG H A 9 ARG HBx 1.0 . 4.04 665 534 A 9 ARG H A 9 ARG HB3 1.0 . 4.04 666 535 A 12 VAL H A 12 VAL HB 1.0 . 4.05 667 536 A 40 LYS H A 39 VAL HB 1.0 . 4.81 668 537 A 39 VAL HB A 39 VAL H 1.0 . 3.35 669 538 A 8 SER H A 7 VAL HB 1.0 . 3.87 670 539 A 7 VAL H A 7 VAL HB 1.0 . 3.80 671 540 A 24 VAL H A 19 VAL HB 1.0 . 4.81 672 541 A 24 VAL HG1% A 19 VAL HB 1.0 . 4.54 673 542 A 64 LYS H A 64 LYS HBx 1.0 . 3.32 674 542 A 64 LYS H A 64 LYS HB3 1.0 . 3.32 675 543 A 65 GLU H A 64 LYS HBx 1.0 . 3.84 676 543 A 65 GLU H A 64 LYS HB3 1.0 . 3.84 677 544 A 20 SER H A 19 VAL HB 1.0 . 4.80 678 545 A 77 ARG H A 77 ARG HBx 1.0 . 4.12 679 545 A 77 ARG H A 77 ARG HB3 1.0 . 4.12 680 546 A 78 VAL H A 77 ARG HBx 1.0 . 4.49 681 546 A 78 VAL H A 77 ARG HB3 1.0 . 4.49 682 547 A 17 SER H A 16 PRO HBy 1.0 . 4.14 683 548 A 75 LYS HBy A 75 LYS HE2 1.0 . 4.68 684 548 A 75 LYS HEy A 75 LYS HBy 1.0 . 4.68 685 549 A 75 LYS H A 75 LYS HBy 1.0 . 3.64 686 550 A 75 LYS H A 75 LYS HBx 1.0 . 3.77 687 551 A 43 VAL H A 43 VAL HB 1.0 . 3.36 688 552 A 44 SER H A 43 VAL HB 1.0 . 4.29 689 553 A 36 LYS H A 52 GLU HBy 1.0 . 4.32 690 553 A 36 LYS H A 52 GLU HBx 1.0 . 4.32 691 554 A 25 GLU H A 24 VAL HB 1.0 . 3.60 692 555 A 24 VAL H A 24 VAL HB 1.0 . 3.38 693 556 A 4 ARG HGy A 4 ARG HBx 1.0 . 2.76 694 556 A 4 ARG HB3 A 4 ARG HGy 1.0 . 2.76 695 557 A 30 LYS H A 30 LYS HBy 1.0 . 3.88 696 558 A 30 LYS H A 30 LYS HBx 1.0 . 3.88 697 559 A 35 LEU HG A 54 GLU HB2 1.0 . 4.32 698 559 A 54 GLU HBy A 35 LEU HG 1.0 . 4.32 699 560 A 35 LEU HD1% A 54 GLU HB2 1.0 . 4.48 700 560 A 35 LEU HD1% A 54 GLU HBy 1.0 . 4.48 701 561 A 54 GLU H A 54 GLU HB2 1.0 . 3.81 702 561 A 54 GLU H A 54 GLU HBy 1.0 . 3.81 703 562 A 54 GLU HGx A 54 GLU HB2 1.0 . 2.83 704 562 A 54 GLU HGx A 54 GLU HBy 1.0 . 2.83 705 563 A 5 GLU HBx A 5 GLU HG2 1.0 . 4.00 706 563 A 5 GLU HBx A 5 GLU HGy 1.0 . 4.00 707 564 A 86 GLU H A 85 ARG HBy 1.0 . 4.23 708 565 A 85 ARG H A 85 ARG HBx 1.0 . 4.14 709 566 A 6 SER H A 5 GLU HBy 1.0 . 4.38 710 567 A 5 GLU H A 5 GLU HBy 1.0 . 3.94 711 568 A 5 GLU HBx A 5 GLU H 1.0 . 3.89 712 569 A 5 GLU HBx A 6 SER H 1.0 . 4.36 713 570 A 30 LYS H A 30 LYS HD2 1.0 . 4.75 714 570 A 30 LYS H A 30 LYS HDy 1.0 . 4.75 715 571 A 61 ASP H A 30 LYS HD2 1.0 . 5.00 716 571 A 61 ASP H A 30 LYS HDy 1.0 . 5.00 717 572 A 22 ARG H A 22 ARG HBy 1.0 . 3.58 718 573 A 22 ARG H A 22 ARG HBx 1.0 . 3.63 719 574 A 22 ARG HBx A 23 ASP H 1.0 . 3.86 720 575 A 64 LYS H A 64 LYS HDx 1.0 . 4.00 721 576 A 25 GLU HBy A 34 ILE HD1% 1.0 . 5.07 722 577 A 25 GLU H A 25 GLU HBy 1.0 . 3.64 723 578 A 26 ASN H A 25 GLU HBy 1.0 . 4.14 724 579 A 29 ARG H A 29 ARG HBy 1.0 . 3.95 725 580 A 27 GLU H A 27 GLU HB2 1.0 . 3.64 726 580 A 27 GLU H A 27 GLU HBy 1.0 . 3.64 727 581 A 26 ASN H A 25 GLU HBx 1.0 . 3.93 728 582 A 25 GLU H A 25 GLU HBx 1.0 . 3.61 729 583 A 25 GLU HBx A 22 ARG HG2 1.0 . 4.68 730 583 A 22 ARG HGy A 25 GLU HBx 1.0 . 4.68 731 584 A 25 GLU HBx A 29 ARG HGx 1.0 . 5.00 732 585 A 29 ARG HGx A 27 GLU HB2 1.0 . 5.00 733 585 A 27 GLU HBy A 29 ARG HGx 1.0 . 5.00 734 586 A 29 ARG HBx A 30 LYS H 1.0 . 4.76 735 587 A 23 ASP H A 22 ARG HBy 1.0 . 3.75 736 588 A 64 LYS H A 64 LYS HDy 1.0 . 4.00 737 589 A 57 ARG H A 57 ARG HBx 1.0 . 3.43 738 589 A 57 ARG H A 57 ARG HB3 1.0 . 3.43 739 590 A 58 ASP H A 57 ARG HBx 1.0 . 4.42 740 590 A 58 ASP H A 57 ARG HB3 1.0 . 4.42 741 591 A 56 ALA H A 57 ARG HBx 1.0 . 4.81 742 591 A 56 ALA H A 57 ARG HB3 1.0 . 4.81 743 592 A 64 LYS HDx A 64 LYS HBx 1.0 . 3.69 744 592 A 64 LYS HDx A 64 LYS HB3 1.0 . 3.69 745 593 A 64 LYS HDx A 64 LYS HA 1.0 . 4.46 746 594 A 26 ASN HA A 29 ARG HBy 1.0 . 4.71 747 595 A 26 ASN HA A 27 GLU HB2 1.0 . 5.00 748 595 A 27 GLU HBy A 26 ASN HA 1.0 . 5.00 749 596 A 75 LYS HA A 75 LYS HD2 1.0 . 4.80 750 596 A 75 LYS HDy A 75 LYS HA 1.0 . 4.80 751 597 A 75 LYS H A 75 LYS HD2 1.0 . 4.91 752 597 A 75 LYS H A 75 LYS HDy 1.0 . 4.91 753 598 A 39 VAL H A 40 LYS HD2 1.0 . 5.00 754 598 A 39 VAL H A 40 LYS HDy 1.0 . 5.00 755 599 A 41 LYS H A 41 LYS HD2 1.0 . 4.83 756 599 A 41 LYS H A 41 LYS HDy 1.0 . 4.83 757 600 A 79 GLU HBy A 69 CYS HBy 1.0 . 4.61 758 601 A 69 CYS H A 69 CYS HBy 1.0 . 3.41 759 602 A 70 ASP H A 69 CYS HBy 1.0 . 4.26 760 603 A 69 CYS HBx A 69 CYS H 1.0 . 3.45 761 604 A 40 LYS H A 40 LYS HD2 1.0 . 4.69 762 604 A 40 LYS H A 40 LYS HDy 1.0 . 4.69 763 605 A 42 THR H A 41 LYS HD2 1.0 . 5.00 764 605 A 42 THR H A 41 LYS HDy 1.0 . 5.00 765 606 A 48 PHE HD% A 40 LYS HD2 1.0 . 4.99 766 606 A 40 LYS HDy A 48 PHE HD% 1.0 . 4.99 767 607 A 48 PHE HD% A 41 LYS HD2 1.0 . 5.00 768 607 A 41 LYS HDy A 48 PHE HD% 1.0 . 5.00 769 608 A 42 THR HA A 41 LYS HD2 1.0 . 4.32 770 608 A 42 THR HA A 41 LYS HDy 1.0 . 4.32 771 609 A 37 CYS HA A 36 LYS HD2 1.0 . 5.00 772 609 A 36 LYS HDy A 37 CYS HA 1.0 . 5.00 773 610 A 40 LYS HA A 40 LYS HD2 1.0 . 4.04 774 610 A 40 LYS HA A 40 LYS HDy 1.0 . 4.04 775 611 A 40 LYS HA A 41 LYS HD2 1.0 . 5.00 776 611 A 41 LYS HDy A 40 LYS HA 1.0 . 5.00 777 612 A 39 VAL HA A 40 LYS HD2 1.0 . 5.00 778 612 A 39 VAL HA A 40 LYS HDy 1.0 . 5.00 779 613 A 69 CYS HBx A 79 GLU HBy 1.0 . 4.57 780 614 A 66 LYS HA A 66 LYS HD2 1.0 . 3.82 781 614 A 66 LYS HA A 66 LYS HDy 1.0 . 3.82 782 615 A 10 ILE H A 9 ARG HGy 1.0 . 4.98 783 616 A 9 ARG H A 9 ARG HGy 1.0 . 5.01 784 617 A 10 ILE H A 9 ARG HGx 1.0 . 4.89 785 618 A 51 ILE HG1x A 49 ALA HB% 1.0 . 5.24 786 619 A 37 CYS H A 37 CYS HBy 1.0 . 3.85 787 620 A 38 ASP H A 37 CYS HBx 1.0 . 4.61 788 621 A 29 ARG H A 29 ARG HGy 1.0 . 4.65 789 622 A 26 ASN HA A 29 ARG HGx 1.0 . 4.93 790 623 A 35 LEU H A 35 LEU HG 1.0 . 4.67 791 624 A 51 ILE H A 51 ILE HG1y 1.0 . 4.51 792 625 A 52 GLU H A 51 ILE HG1y 1.0 . 5.00 793 626 A 24 VAL HG1% A 51 ILE HG1y 1.0 . 4.06 794 627 A 51 ILE H A 51 ILE HG1x 1.0 . 4.77 795 628 A 34 ILE HD1% A 37 CYS HBx 1.0 . 4.08 796 629 A 37 CYS H A 37 CYS HBx 1.0 . 4.06 797 630 A 58 ASP H A 57 ARG HG2 1.0 . 4.80 798 630 A 58 ASP H A 57 ARG HGy 1.0 . 4.80 799 631 A 29 ARG H A 29 ARG HGx 1.0 . 4.87 800 632 A 78 VAL H A 77 ARG HG2 1.0 . 4.34 801 632 A 78 VAL H A 77 ARG HGy 1.0 . 4.34 802 633 A 77 ARG HBx A 77 ARG HG2 1.0 . 2.46 803 633 A 77 ARG HB3 A 77 ARG HG2 1.0 . 2.46 804 633 A 77 ARG HGy A 77 ARG HBx 1.0 . 2.46 805 633 A 77 ARG HGy A 77 ARG HB3 1.0 . 2.46 806 634 A 77 ARG H A 77 ARG HG2 1.0 . 3.97 807 634 A 77 ARG H A 77 ARG HGy 1.0 . 3.97 808 635 A 85 ARG H A 85 ARG HG2 1.0 . 4.63 809 635 A 85 ARG HGy A 85 ARG H 1.0 . 4.63 810 636 A 57 ARG H A 57 ARG HG2 1.0 . 3.59 811 636 A 57 ARG H A 57 ARG HGy 1.0 . 3.59 812 637 A 57 ARG HBx A 57 ARG HG2 1.0 . 2.58 813 637 A 57 ARG HB3 A 57 ARG HG2 1.0 . 2.58 814 637 A 57 ARG HGy A 57 ARG HBx 1.0 . 2.58 815 637 A 57 ARG HGy A 57 ARG HB3 1.0 . 2.58 816 638 A 23 ASP H A 22 ARG HG2 1.0 . 4.20 817 638 A 22 ARG HGy A 23 ASP H 1.0 . 4.20 818 639 A 22 ARG H A 22 ARG HG2 1.0 . 4.00 819 639 A 22 ARG H A 22 ARG HGy 1.0 . 4.00 820 640 A 49 ALA H A 15 LEU HD1% 1.0 . 5.24 821 641 A 15 LEU H A 15 LEU HD1% 1.0 . 5.05 822 642 A 10 ILE H A 10 ILE HG1x 1.0 . 4.71 823 642 A 10 ILE H A 10 ILE HG1y 1.0 . 4.71 824 643 A 35 LEU HD1% A 35 LEU HB2 1.0 . 3.92 825 643 A 35 LEU HBy A 35 LEU HD1% 1.0 . 3.92 826 644 A 41 LYS H A 41 LYS HG2 1.0 . 4.60 827 644 A 41 LYS H A 41 LYS HGy 1.0 . 4.60 828 645 A 40 LYS HGy A 41 LYS HE2 1.0 . 4.13 829 645 A 40 LYS HG2 A 41 LYS HE2 1.0 . 4.13 830 645 A 41 LYS HEy A 40 LYS HG2 1.0 . 4.13 831 645 A 40 LYS HGy A 41 LYS HEy 1.0 . 4.13 832 646 A 40 LYS HGy A 50 PHE HBx 1.0 . 5.00 833 646 A 50 PHE HB3 A 40 LYS HG2 1.0 . 5.00 834 646 A 50 PHE HB3 A 40 LYS HGy 1.0 . 5.00 835 646 A 40 LYS HG2 A 50 PHE HBx 1.0 . 5.00 836 647 A 36 LYS HEy A 40 LYS HG2 1.0 . 5.00 837 647 A 36 LYS HE2 A 40 LYS HG2 1.0 . 5.00 838 647 A 40 LYS HGy A 36 LYS HE2 1.0 . 5.00 839 647 A 36 LYS HEy A 40 LYS HGy 1.0 . 5.00 840 648 A 64 LYS HA A 64 LYS HGy 1.0 . 4.22 841 648 A 64 LYS HGx A 64 LYS HA 1.0 . 4.22 842 649 A 40 LYS H A 40 LYS HG2 1.0 . 4.16 843 649 A 40 LYS H A 40 LYS HGy 1.0 . 4.16 844 650 A 40 LYS HDy A 40 LYS HG2 1.0 . 3.00 845 650 A 40 LYS HD2 A 40 LYS HG2 1.0 . 3.00 846 650 A 40 LYS HGy A 40 LYS HD2 1.0 . 3.00 847 650 A 40 LYS HGy A 40 LYS HDy 1.0 . 3.00 848 651 A 75 LYS HBx A 75 LYS HG2 1.0 . 5.00 849 651 A 75 LYS HGy A 75 LYS HBx 1.0 . 5.00 850 652 A 75 LYS HD2 A 75 LYS HG2 1.0 . 5.00 851 652 A 75 LYS HGy A 75 LYS HD2 1.0 . 5.00 852 652 A 75 LYS HGy A 75 LYS HDy 1.0 . 5.00 853 652 A 75 LYS HDy A 75 LYS HG2 1.0 . 5.00 854 653 A 25 GLU H A 24 VAL HG1% 1.0 . 4.58 855 654 A 24 VAL HG1% A 19 VAL HB 1.0 . 4.29 856 655 A 24 VAL HG1% A 25 GLU HBy 1.0 . 5.00 857 656 A 19 VAL HG1% A 24 VAL HG1% 1.0 . 4.27 858 657 A 24 VAL H A 24 VAL HG1% 1.0 . 3.42 859 658 A 66 LYS H A 66 LYS HG2 1.0 . 4.74 860 658 A 66 LYS H A 66 LYS HGy 1.0 . 4.74 861 659 A 49 ALA H A 49 ALA HB% 1.0 . 3.84 862 660 A 40 LYS H A 49 ALA HB% 1.0 . 4.92 863 661 A 39 VAL H A 49 ALA HB% 1.0 . 4.43 864 662 A 38 ASP H A 49 ALA HB% 1.0 . 5.00 865 663 A 50 PHE H A 49 ALA HB% 1.0 . 3.67 866 664 A 48 PHE HA A 49 ALA HB% 1.0 . 4.82 867 665 A 39 VAL HA A 49 ALA HB% 1.0 . 3.76 868 666 A 49 ALA HB% A 50 PHE HBx 1.0 . 5.01 869 666 A 50 PHE HB3 A 49 ALA HB% 1.0 . 5.01 870 667 A 49 ALA HB% A 51 ILE HG1y 1.0 . 3.70 871 668 A 39 VAL HG1% A 49 ALA HB% 1.0 . 3.33 872 669 A 39 VAL HG2% A 49 ALA HB% 1.0 . 5.00 873 670 A 51 ILE HG1x A 49 ALA HB% 1.0 . 5.00 874 671 A 15 LEU HD1% A 49 ALA HB% 1.0 . 3.66 875 672 A 51 ILE H A 49 ALA HB% 1.0 . 5.08 876 673 A 48 PHE H A 49 ALA HB% 1.0 . 5.00 877 674 A 31 TYR H A 30 LYS HGy 1.0 . 4.96 878 675 A 31 TYR HE% A 30 LYS HGy 1.0 . 5.07 879 676 A 30 LYS HGy A 59 ALA HB% 1.0 . 4.50 880 677 A 30 LYS HGy A 30 LYS H 1.0 . 4.17 881 678 A 30 LYS H A 30 LYS HGx 1.0 . 4.75 882 679 A 31 TYR H A 30 LYS HGx 1.0 . 4.87 883 680 A 12 VAL HG2% A 13 GLY H 1.0 . 4.29 884 681 A 12 VAL HG2% A 12 VAL HA 1.0 . 3.75 885 682 A 40 LYS H A 39 VAL HG1% 1.0 . 4.36 886 683 A 77 ARG HA A 78 VAL HG2% 1.0 . 4.81 887 684 A 79 GLU H A 78 VAL HG2% 1.0 . 4.68 888 685 A 12 VAL HG2% A 13 GLY HAy 1.0 . 4.28 889 686 A 35 LEU H A 35 LEU HD2% 1.0 . 5.15 890 687 A 39 VAL HG1% A 38 ASP HA 1.0 . 5.10 891 688 A 21 SER H A 39 VAL HG1% 1.0 . 4.87 892 689 A 39 VAL H A 39 VAL HG1% 1.0 . 3.81 893 690 A 20 SER HA A 39 VAL HG1% 1.0 . 4.85 894 691 A 39 VAL HA A 39 VAL HG1% 1.0 . 3.67 895 692 A 39 VAL HG1% A 49 ALA HB% 1.0 . 3.61 896 693 A 25 GLU H A 24 VAL HG2% 1.0 . 4.53 897 694 A 24 VAL HG2% A 28 PHE HE% 1.0 . 4.60 898 695 A 24 VAL HA A 24 VAL HG2% 1.0 . 3.62 899 696 A 24 VAL HG2% A 51 ILE HD1% 1.0 . 3.81 900 697 A 48 PHE H A 42 THR HG2% 1.0 . 4.79 901 698 A 41 LYS HA A 42 THR HG2% 1.0 . 4.66 902 699 A 46 ALA H A 42 THR HG2% 1.0 . 4.77 903 700 A 78 VAL HG2% A 77 ARG HG2 1.0 . 4.53 904 700 A 78 VAL HG2% A 77 ARG HGy 1.0 . 4.53 905 701 A 78 VAL HG2% A 78 VAL HA 1.0 . 3.83 906 702 A 78 VAL HG2% A 77 ARG HDy 1.0 . 4.36 907 703 A 67 ASP HBy A 78 VAL HG2% 1.0 . 5.00 908 704 A 78 VAL H A 78 VAL HG2% 1.0 . 4.04 909 705 A 35 LEU HD2% A 35 LEU HA 1.0 . 3.75 910 706 A 42 THR H A 42 THR HG2% 1.0 . 3.42 911 707 A 42 THR HA A 42 THR HG2% 1.0 . 3.20 912 708 A 44 SER H A 42 THR HG2% 1.0 . 5.00 913 709 A 47 ALA HB% A 42 THR H 1.0 . 4.73 914 710 A 40 LYS H A 47 ALA HB% 1.0 . 5.00 915 711 A 48 PHE H A 47 ALA HB% 1.0 . 3.55 916 712 A 47 ALA HB% A 47 ALA H 1.0 . 3.40 917 713 A 47 ALA HB% A 41 LYS HA 1.0 . 3.89 918 714 A 47 ALA HB% A 46 ALA HA 1.0 . 4.32 919 715 A 47 ALA HB% A 41 LYS HE2 1.0 . 4.85 920 715 A 47 ALA HB% A 41 LYS HEy 1.0 . 4.85 921 716 A 47 ALA HB% A 39 VAL HG2% 1.0 . 4.34 922 717 A 47 ALA HB% A 39 VAL HG1% 1.0 . 5.00 923 718 A 47 ALA HB% A 15 LEU HD1% 1.0 . 4.22 924 719 A 24 VAL H A 19 VAL HG1% 1.0 . 5.00 925 720 A 39 VAL HG2% A 49 ALA HB% 1.0 . 3.77 926 721 A 40 LYS H A 39 VAL HG2% 1.0 . 3.73 927 722 A 39 VAL HA A 39 VAL HG2% 1.0 . 3.56 928 723 A 39 VAL HG2% A 40 LYS HA 1.0 . 5.00 929 724 A 39 VAL HG2% A 50 PHE HBx 1.0 . 4.96 930 724 A 50 PHE HB3 A 39 VAL HG2% 1.0 . 4.96 931 725 A 39 VAL HG2% A 41 LYS HE2 1.0 . 5.00 932 725 A 39 VAL HG2% A 41 LYS HEy 1.0 . 5.00 933 726 A 47 ALA HB% A 39 VAL HG2% 1.0 . 4.05 934 727 A 43 VAL HG2% A 44 SER H 1.0 . 4.44 935 728 A 39 VAL H A 39 VAL HG2% 1.0 . 4.58 936 729 A 13 GLY H A 12 VAL HG1% 1.0 . 4.77 937 730 A 12 VAL H A 12 VAL HG1% 1.0 . 4.09 938 731 A 15 LEU H A 46 ALA HB% 1.0 . 4.69 939 732 A 47 ALA HA A 46 ALA HB% 1.0 . 5.29 940 733 A 7 VAL HG2% A 8 SER H 1.0 . 4.72 941 734 A 7 VAL HG2% A 7 VAL HA 1.0 . 3.98 942 735 A 14 ASN H A 46 ALA HB% 1.0 . 5.26 943 736 A 47 ALA H A 46 ALA HB% 1.0 . 3.43 944 737 A 46 ALA H A 46 ALA HB% 1.0 . 3.24 945 738 A 14 ASN HA A 46 ALA HB% 1.0 . 3.92 946 739 A 45 GLY H A 46 ALA HB% 1.0 . 5.12 947 740 A 42 THR HG2% A 46 ALA HB% 1.0 . 2.78 948 741 A 7 VAL HG2% A 6 SER HA 1.0 . 5.00 949 742 A 84 ALA HB% A 85 ARG HBy 1.0 . 4.39 950 743 A 84 ALA HB% A 85 ARG HA 1.0 . 4.82 951 744 A 84 ALA H A 84 ALA HB% 1.0 . 3.44 952 745 A 86 GLU H A 84 ALA HB% 1.0 . 4.98 953 746 A 85 ARG H A 56 ALA HB% 1.0 . 5.09 954 747 A 57 ARG HA A 56 ALA HB% 1.0 . 4.17 955 748 A 56 ALA HB% A 85 ARG HG2 1.0 . 3.85 956 748 A 85 ARG HGy A 56 ALA HB% 1.0 . 3.85 957 749 A 57 ARG H A 56 ALA HB% 1.0 . 4.04 958 750 A 56 ALA H A 56 ALA HB% 1.0 . 3.21 959 751 A 85 ARG HA A 56 ALA HB% 1.0 . 5.09 960 752 A 56 ALA HB% A 85 ARG HBx 1.0 . 4.01 961 753 A 63 ILE H A 62 ALA HB% 1.0 . 3.76 962 754 A 62 ALA H A 62 ALA HB% 1.0 . 3.17 963 755 A 63 ILE HA A 62 ALA HB% 1.0 . 5.26 964 756 A 59 ALA HA A 62 ALA HB% 1.0 . 3.66 965 757 A 59 ALA HB% A 62 ALA HB% 1.0 . 4.21 966 758 A 63 ILE HG2% A 62 ALA HB% 1.0 . 4.33 967 759 A 63 ILE HD1% A 62 ALA HB% 1.0 . 5.00 968 760 A 63 ILE HG2% A 60 ALA HA 1.0 . 5.19 969 761 A 10 ILE H A 10 ILE HG2% 1.0 . 4.22 970 762 A 10 ILE HG2% A 10 ILE HA 1.0 . 3.71 971 763 A 63 ILE HG2% A 79 GLU HA 1.0 . 4.94 972 764 A 11 TYR H A 10 ILE HG2% 1.0 . 4.40 973 765 A 10 ILE HG2% A 82 PHE HE% 1.0 . 4.44 974 766 A 62 ALA H A 59 ALA HB% 1.0 . 5.12 975 767 A 60 ALA H A 59 ALA HB% 1.0 . 3.65 976 768 A 31 TYR H A 59 ALA HB% 1.0 . 5.00 977 769 A 59 ALA H A 59 ALA HB% 1.0 . 3.32 978 770 A 59 ALA HB% A 56 ALA HA 1.0 . 3.57 979 771 A 59 ALA HB% A 60 ALA HA 1.0 . 5.00 980 772 A 30 LYS HA A 59 ALA HB% 1.0 . 5.00 981 773 A 10 ILE HG2% A 51 ILE HB 1.0 . 4.86 982 774 A 51 ILE HG1y A 19 VAL HG2% 1.0 . 4.58 983 775 A 15 LEU HBx A 19 VAL HG2% 1.0 . 5.00 984 776 A 20 SER HA A 19 VAL HG2% 1.0 . 5.07 985 777 A 61 ASP H A 60 ALA HB% 1.0 . 3.51 986 778 A 60 ALA HB% A 60 ALA H 1.0 . 3.11 987 779 A 60 ALA HB% A 57 ARG HA 1.0 . 3.50 988 780 A 62 ALA H A 60 ALA HB% 1.0 . 4.72 989 781 A 60 ALA HB% A 64 LYS H 1.0 . 5.00 990 782 A 60 ALA HB% A 61 ASP HA 1.0 . 5.02 991 783 A 60 ALA HB% A 57 ARG HG2 1.0 . 3.92 992 783 A 60 ALA HB% A 57 ARG HGy 1.0 . 3.92 993 784 A 60 ALA HB% A 63 ILE HB 1.0 . 5.00 994 785 A 51 ILE HA A 34 ILE HD1% 1.0 . 5.05 995 786 A 34 ILE HD1% A 35 LEU HA 1.0 . 5.21 996 787 A 35 LEU H A 34 ILE HD1% 1.0 . 4.03 997 788 A 37 CYS H A 34 ILE HD1% 1.0 . 4.45 998 789 A 52 GLU H A 34 ILE HD1% 1.0 . 5.00 999 790 A 25 GLU H A 34 ILE HD1% 1.0 . 5.00 1000 791 A 34 ILE H A 34 ILE HD1% 1.0 . 4.59 1001 792 A 36 LYS H A 34 ILE HD1% 1.0 . 3.67 1002 793 A 36 LYS HA A 34 ILE HD1% 1.0 . 4.93 1003 794 A 34 ILE HA A 34 ILE HD1% 1.0 . 3.90 1004 795 A 37 CYS HBy A 34 ILE HD1% 1.0 . 4.40 1005 796 A 34 ILE HD1% A 37 CYS HBx 1.0 . 3.90 1006 797 A 34 ILE HD1% A 25 GLU HG2 1.0 . 5.00 1007 797 A 25 GLU HGy A 34 ILE HD1% 1.0 . 5.00 1008 798 A 25 GLU HBx A 34 ILE HD1% 1.0 . 4.72 1009 799 A 34 ILE HB A 34 ILE HD1% 1.0 . 3.61 1010 800 A 34 ILE HG2% A 34 ILE HD1% 1.0 . 4.00 1011 801 A 4 ARG H A 3 ILE HG2% 1.0 . 4.70 1012 802 A 35 LEU HD2% A 34 ILE HD1% 1.0 . 5.25 1013 803 A 63 ILE HD1% A 79 GLU HA 1.0 . 4.11 1014 804 A 63 ILE HD1% A 63 ILE HB 1.0 . 3.29 1015 805 A 63 ILE H A 63 ILE HD1% 1.0 . 4.65 1016 806 A 63 ILE HD1% A 64 LYS H 1.0 . 4.20 1017 807 A 63 ILE HD1% A 64 LYS HA 1.0 . 4.23 1018 808 A 63 ILE HD1% A 60 ALA HA 1.0 . 4.78 1019 809 A 63 ILE HA A 63 ILE HD1% 1.0 . 3.52 1020 810 A 67 ASP HBy A 63 ILE HD1% 1.0 . 5.00 1021 811 A 63 ILE HD1% A 67 ASP HBx 1.0 . 5.11 1022 812 A 78 VAL HB A 63 ILE HD1% 1.0 . 4.85 1023 813 A 63 ILE HD1% A 64 LYS HBx 1.0 . 5.00 1024 813 A 63 ILE HD1% A 64 LYS HB3 1.0 . 5.00 1025 814 A 63 ILE HD1% A 78 VAL HG2% 1.0 . 2.99 1026 815 A 78 VAL H A 63 ILE HD1% 1.0 . 5.18 1027 816 A 3 ILE HG2% A 3 ILE HG1x 1.0 . 3.77 1028 817 A 63 ILE HD1% A 80 VAL H 1.0 . 4.83 1029 818 A 10 ILE H A 10 ILE HD1% 1.0 . 4.84 1030 819 A 10 ILE HD1% A 28 PHE HD% 1.0 . 4.81 1031 820 A 82 PHE HE% A 10 ILE HD1% 1.0 . 3.94 1032 821 A 82 PHE HD% A 10 ILE HD1% 1.0 . 5.00 1033 822 A 10 ILE HD1% A 28 PHE HE% 1.0 . 4.66 1034 823 A 10 ILE HD1% A 10 ILE HA 1.0 . 5.14 1035 824 A 10 ILE HB A 10 ILE HD1% 1.0 . 3.75 1036 825 A 10 ILE HG2% A 10 ILE HD1% 1.0 . 3.53 1037 826 A 51 ILE H A 51 ILE HD1% 1.0 . 4.77 1038 827 A 52 GLU H A 51 ILE HD1% 1.0 . 5.00 1039 828 A 51 ILE HD1% A 28 PHE HD% 1.0 . 4.44 1040 829 A 51 ILE HD1% A 82 PHE HE% 1.0 . 5.25 1041 830 A 82 PHE HD% A 51 ILE HD1% 1.0 . 5.00 1042 831 A 51 ILE HD1% A 51 ILE HB 1.0 . 3.96 1043 832 A 24 VAL HG1% A 51 ILE HD1% 1.0 . 4.68 1044 833 A 51 ILE HD1% A 28 PHE HE% 1.0 . 5.45 1045 834 A 51 ILE HD1% A 49 ALA HB% 1.0 . 4.54 1046 835 A 51 ILE HD1% A 19 VAL HG2% 1.0 . 3.49 1047 836 A 12 VAL H A 11 TYR HD% 1.0 . 3.90 1048 837 A 13 GLY HAx A 11 TYR HD% 1.0 . 4.16 1049 838 A 31 TYR HD% A 31 TYR H 1.0 . 2.75 1050 839 A 31 TYR HD% A 28 PHE HA 1.0 . 3.12 1051 840 A 31 TYR HD% A 31 TYR HA 1.0 . 3.20 1052 841 A 31 TYR HD% A 62 ALA HB% 1.0 . 3.52 1053 842 A 48 PHE H A 48 PHE HE% 1.0 . 3.84 1054 843 A 41 LYS HA A 48 PHE HE% 1.0 . 3.76 1055 844 A 48 PHE HA A 48 PHE HE% 1.0 . 4.00 1056 845 A 42 THR HG2% A 48 PHE HE% 1.0 . 3.41 1057 846 A 24 VAL HG1% A 28 PHE HD% 1.0 . 4.01 1058 847 A 31 TYR HD% A 28 PHE HD% 1.0 . 3.65 1059 848 A 32 GLY H A 28 PHE HD% 1.0 . 5.00 1060 849 A 28 PHE H A 28 PHE HD% 1.0 . 3.83 1061 850 A 28 PHE HA A 28 PHE HD% 1.0 . 3.70 1062 851 A 24 VAL HB A 28 PHE HD% 1.0 . 3.67 1063 852 A 28 PHE HD% A 27 GLU HGy 1.0 . 5.00 1064 852 A 27 GLU HGx A 28 PHE HD% 1.0 . 5.00 1065 853 A 24 VAL HG2% A 28 PHE HD% 1.0 . 3.29 1066 854 A 71 PHE HD% A 72 GLU HGx 1.0 . 3.63 1067 855 A 42 THR HG2% A 48 PHE HD% 1.0 . 4.13 1068 856 A 40 LYS HBy A 48 PHE HD% 1.0 . 4.56 1069 857 A 48 PHE HD% A 40 LYS HG2 1.0 . 5.00 1070 857 A 40 LYS HGy A 48 PHE HD% 1.0 . 5.00 1071 858 A 10 ILE HG1y A 28 PHE HE% 1.0 . 3.74 1072 859 A 28 PHE HE% A 10 ILE HG1x 1.0 . 5.00 1073 860 A 10 ILE HD1% A 28 PHE HE% 1.0 . 3.73 1074 861 A 24 VAL HG2% A 28 PHE HE% 1.0 . 5.00 1075 862 A 31 TYR HE% A 31 TYR H 1.0 . 4.36 1076 863 A 31 TYR HE% A 30 LYS HE2 1.0 . 3.88 1077 863 A 30 LYS HEy A 31 TYR HE% 1.0 . 3.88 1078 864 A 31 TYR HE% A 62 ALA HB% 1.0 . 3.89 1079 865 A 13 GLY H A 11 TYR HE% 1.0 . 4.09 1080 866 A 28 PHE HE% A 53 PHE HE% 1.0 . 4.52 1081 867 A 28 PHE HA A 53 PHE HE% 1.0 . 5.50 1082 868 A 28 PHE HBy A 53 PHE HE% 1.0 . 4.23 1083 869 A 62 ALA HB% A 53 PHE HD% 1.0 . 4.50 1084 870 A 62 ALA HB% A 53 PHE HE% 1.0 . 4.00 1085 871 A 62 ALA HB% A 31 TYR HBy 1.0 . 4.14 1086 872 A 53 PHE HE% A 31 TYR HBy 1.0 . 4.93 1087 873 A 31 TYR HBx A 53 PHE HD% 1.0 . 5.06 1088 874 A 31 TYR HBx A 53 PHE HE% 1.0 . 4.74 1089 875 A 28 PHE HD% A 66 LYS HG2 1.0 . 5.48 1090 875 A 66 LYS HGy A 28 PHE HD% 1.0 . 5.48 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 ASP H A 50 PHE O 1.0 . 2.4 2 2 A 50 PHE O A 38 ASP N 1.0 . 3.4 3 3 A 52 GLU H A 36 LYS O 1.0 . 2.4 4 4 A 36 LYS O A 52 GLU N 1.0 . 3.4 5 5 A 35 LEU H A 52 GLU O 1.0 . 2.4 6 6 A 52 GLU O A 35 LEU N 1.0 . 3.4 7 7 A 12 VAL H A 49 ALA O 1.0 . 2.4 8 8 A 49 ALA O A 12 VAL N 1.0 . 3.4 9 9 A 49 ALA H A 12 VAL O 1.0 . 2.4 10 10 A 12 VAL O A 49 ALA N 1.0 . 3.4 11 11 A 51 ILE H A 10 ILE O 1.0 . 2.4 12 12 A 10 ILE O A 51 ILE N 1.0 . 3.4 13 13 A 10 ILE H A 51 ILE O 1.0 . 2.4 14 14 A 51 ILE O A 10 ILE N 1.0 . 3.4 15 15 A 79 GLU H A 11 TYR O 1.0 . 2.4 16 16 A 11 TYR O A 79 GLU N 1.0 . 3.4 17 17 A 11 TYR H A 79 GLU O 1.0 . 2.4 18 18 A 79 GLU O A 11 TYR N 1.0 . 3.4 19 19 A 13 GLY H A 77 ARG O 1.0 . 2.4 20 20 A 77 ARG O A 13 GLY N 1.0 . 3.4 21 21 A 77 ARG H A 13 GLY O 1.0 . 2.4 22 22 A 13 GLY O A 77 ARG N 1.0 . 3.4 23 23 A 25 GLU H A 21 SER O 1.0 . 2.4 24 24 A 21 SER O A 25 GLU N 1.0 . 3.4 25 25 A 26 ASN H A 22 ARG O 1.0 . 2.4 26 26 A 22 ARG O A 26 ASN N 1.0 . 3.4 27 27 A 27 GLU H A 23 ASP O 1.0 . 2.4 28 28 A 23 ASP O A 27 GLU N 1.0 . 3.4 29 29 A 28 PHE H A 24 VAL O 1.0 . 2.4 30 30 A 24 VAL O A 28 PHE N 1.0 . 3.4 31 31 A 29 ARG H A 25 GLU O 1.0 . 2.4 32 32 A 25 GLU O A 29 ARG N 1.0 . 3.4 33 33 A 30 LYS H A 26 ASN O 1.0 . 2.4 34 34 A 26 ASN O A 30 LYS N 1.0 . 3.4 35 35 A 63 ILE H A 59 ALA O 1.0 . 2.4 36 36 A 59 ALA O A 63 ILE N 1.0 . 3.4 37 37 A 64 LYS H A 60 ALA O 1.0 . 2.4 38 38 A 60 ALA O A 64 LYS N 1.0 . 3.4 39 39 A 65 GLU H A 61 ASP O 1.0 . 2.4 40 40 A 61 ASP O A 65 GLU N 1.0 . 3.4 41 41 A 66 LYS H A 62 ALA O 1.0 . 2.4 42 42 A 62 ALA O A 66 LYS N 1.0 . 3.4 43 43 A 53 PHE H A 8 SER O 1.0 . 2.4 44 44 A 8 SER O A 53 PHE N 1.0 . 3.4 45 45 A 70 ASP H A 76 LEU O 1.0 . 2.4 46 46 A 76 LEU O A 70 ASP N 1.0 . 3.4 47 47 A 76 LEU H A 70 ASP O 1.0 . 2.4 48 48 A 70 ASP O A 76 LEU N 1.0 . 3.4 49 49 A 38 ASP H A 50 PHE O 1.0 . 1.8 50 50 A 50 PHE O A 38 ASP N 1.0 . 2.4 51 51 A 52 GLU H A 36 LYS O 1.0 . 1.8 52 52 A 36 LYS O A 52 GLU N 1.0 . 2.4 53 53 A 35 LEU H A 52 GLU O 1.0 . 1.8 54 54 A 52 GLU O A 35 LEU N 1.0 . 2.4 55 55 A 12 VAL H A 49 ALA O 1.0 . 1.8 56 56 A 49 ALA O A 12 VAL N 1.0 . 2.4 57 57 A 49 ALA H A 12 VAL O 1.0 . 1.8 58 58 A 12 VAL O A 49 ALA N 1.0 . 2.4 59 59 A 51 ILE H A 10 ILE O 1.0 . 1.8 60 60 A 10 ILE O A 51 ILE N 1.0 . 2.4 61 61 A 10 ILE H A 51 ILE O 1.0 . 1.8 62 62 A 51 ILE O A 10 ILE N 1.0 . 2.4 63 63 A 79 GLU H A 11 TYR O 1.0 . 1.8 64 64 A 11 TYR O A 79 GLU N 1.0 . 2.4 65 65 A 11 TYR H A 79 GLU O 1.0 . 1.8 66 66 A 79 GLU O A 11 TYR N 1.0 . 2.4 67 67 A 13 GLY H A 77 ARG O 1.0 . 1.8 68 68 A 77 ARG O A 13 GLY N 1.0 . 2.4 69 69 A 77 ARG H A 13 GLY O 1.0 . 1.8 70 70 A 13 GLY O A 77 ARG N 1.0 . 2.4 71 71 A 25 GLU H A 21 SER O 1.0 . 1.8 72 72 A 21 SER O A 25 GLU N 1.0 . 2.4 73 73 A 26 ASN H A 22 ARG O 1.0 . 1.8 74 74 A 22 ARG O A 26 ASN N 1.0 . 2.4 75 75 A 27 GLU H A 23 ASP O 1.0 . 1.8 76 76 A 23 ASP O A 27 GLU N 1.0 . 2.4 77 77 A 28 PHE H A 24 VAL O 1.0 . 1.8 78 78 A 24 VAL O A 28 PHE N 1.0 . 2.4 79 79 A 29 ARG H A 25 GLU O 1.0 . 1.8 80 80 A 25 GLU O A 29 ARG N 1.0 . 2.4 81 81 A 30 LYS H A 26 ASN O 1.0 . 1.8 82 82 A 26 ASN O A 30 LYS N 1.0 . 2.4 83 83 A 63 ILE H A 59 ALA O 1.0 . 1.8 84 84 A 59 ALA O A 63 ILE N 1.0 . 2.4 85 85 A 64 LYS H A 60 ALA O 1.0 . 1.8 86 86 A 60 ALA O A 64 LYS N 1.0 . 2.4 87 87 A 65 GLU H A 61 ASP O 1.0 . 1.8 88 88 A 61 ASP O A 65 GLU N 1.0 . 2.4 89 89 A 66 LYS H A 62 ALA O 1.0 . 1.8 90 90 A 62 ALA O A 66 LYS N 1.0 . 2.4 91 91 A 53 PHE H A 8 SER O 1.0 . 1.8 92 92 A 8 SER O A 53 PHE N 1.0 . 2.4 93 93 A 70 ASP H A 76 LEU O 1.0 . 1.8 94 94 A 76 LEU O A 70 ASP N 1.0 . 2.4 95 95 A 76 LEU H A 70 ASP O 1.0 . 1.8 96 96 A 70 ASP O A 76 LEU N 1.0 . 2.4 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 VAL C A 8 SER N A 8 SER CA A 8 SER C 1.0 -91.2 -51.2 PHI 2 2 A 8 SER N A 8 SER CA A 8 SER C A 9 ARG N 1.0 118.9 158.9 PSI 3 3 A 8 SER C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -148.7 -108.7 PHI 4 4 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ILE N 1.0 129.4 169.4 PSI 5 5 A 9 ARG C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -150.4 -110.4 PHI 6 6 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 TYR N 1.0 118.5 158.5 PSI 7 7 A 10 ILE C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -132.3 -92.3 PHI 8 8 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 VAL N 1.0 106.3 146.3 PSI 9 9 A 11 TYR C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -134.5 -94.5 PHI 10 10 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLY N 1.0 102.7 142.7 PSI 11 11 A 13 GLY C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 40.6 80.6 PHI 12 12 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 LEU N 1.0 18.1 58.1 PSI 13 13 A 14 ASN C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -97.1 -57.1 PHI 14 14 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 PRO N 1.0 117.2 157.2 PSI 15 15 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 SER N 1.0 122.4 162.4 PSI 16 16 A 18 HIS C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -101.0 -61.0 PHI 17 17 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 SER N 1.0 116.1 156.1 PSI 18 18 A 19 VAL C A 20 SER N A 20 SER CA A 20 SER C 1.0 -116.9 -76.9 PHI 19 19 A 20 SER N A 20 SER CA A 20 SER C A 21 SER N 1.0 147.1 187.1 PSI 20 20 A 20 SER C A 21 SER N A 21 SER CA A 21 SER C 1.0 -79.9 -39.9 PHI 21 21 A 21 SER N A 21 SER CA A 21 SER C A 22 ARG N 1.0 -58.2 -18.2 PSI 22 22 A 21 SER C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -85.4 -45.4 PHI 23 23 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 ASP N 1.0 -56.7 -16.7 PSI 24 24 A 22 ARG C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -86.5 -46.5 PHI 25 25 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 VAL N 1.0 -62.5 -22.5 PSI 26 26 A 23 ASP C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -84.4 -44.4 PHI 27 27 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 GLU N 1.0 -64.5 -24.5 PSI 28 28 A 24 VAL C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -80.4 -40.4 PHI 29 29 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ASN N 1.0 -61.5 -21.5 PSI 30 30 A 25 GLU C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -85.9 -45.9 PHI 31 31 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLU N 1.0 -57.1 -17.1 PSI 32 32 A 26 ASN C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -88.8 -48.8 PHI 33 33 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 PHE N 1.0 -55.8 -15.8 PSI 34 34 A 27 GLU C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -89.9 -49.9 PHI 35 35 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 ARG N 1.0 -56.4 -16.4 PSI 36 36 A 28 PHE C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -85.2 -45.2 PHI 37 37 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 LYS N 1.0 -54.5 -14.5 PSI 38 38 A 29 ARG C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -86.1 -46.1 PHI 39 39 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 TYR N 1.0 -51.4 -11.4 PSI 40 40 A 30 LYS C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -98.4 -58.4 PHI 41 41 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 GLY N 1.0 -42.5 -2.5 PSI 42 42 A 33 ASN C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -106.2 -66.2 PHI 43 43 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LEU N 1.0 106.5 146.5 PSI 44 44 A 34 ILE C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -109.4 -69.4 PHI 45 45 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LYS N 1.0 -57.1 -17.1 PSI 46 46 A 35 LEU C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -175.0 -135.0 PHI 47 47 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 CYS N 1.0 122.9 162.9 PSI 48 48 A 36 LYS C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -138.6 -98.6 PHI 49 49 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 ASP N 1.0 107.3 147.3 PSI 50 50 A 37 CYS C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -138.5 -98.5 PHI 51 51 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 VAL N 1.0 113.5 153.5 PSI 52 52 A 38 ASP C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -126.2 -86.2 PHI 53 53 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 LYS N 1.0 105.1 145.1 PSI 54 54 A 39 VAL C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -141.9 -102.0 PHI 55 55 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 LYS N 1.0 127.8 167.8 PSI 56 56 A 40 LYS C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -131.5 -91.5 PHI 57 57 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 THR N 1.0 118.1 158.1 PSI 58 58 A 41 LYS C A 42 THR N A 42 THR CA A 42 THR C 1.0 -105.3 -65.3 PHI 59 59 A 42 THR N A 42 THR CA A 42 THR C A 43 VAL N 1.0 151.7 191.7 PSI 60 60 A 42 THR C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -84.7 -44.7 PHI 61 61 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 SER N 1.0 -40.9 -0.9 PSI 62 62 A 43 VAL C A 44 SER N A 44 SER CA A 44 SER C 1.0 -106.9 -66.9 PHI 63 63 A 44 SER N A 44 SER CA A 44 SER C A 45 GLY N 1.0 -23.4 16.6 PSI 64 64 A 44 SER C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 72.3 112.3 PHI 65 65 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ALA N 1.0 -13.5 26.5 PSI 66 66 A 45 GLY C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -96.8 -56.8 PHI 67 67 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ALA N 1.0 121.8 161.8 PSI 68 68 A 46 ALA C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -143.8 -103.8 PHI 69 69 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 PHE N 1.0 117.0 157.0 PSI 70 70 A 47 ALA C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -171.3 -131.3 PHI 71 71 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ALA N 1.0 142.6 182.6 PSI 72 72 A 48 PHE C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -148.0 -108.0 PHI 73 73 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 PHE N 1.0 130.9 170.9 PSI 74 74 A 49 ALA C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -139.2 -99.2 PHI 75 75 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 ILE N 1.0 112.4 152.4 PSI 76 76 A 50 PHE C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -140.5 -100.5 PHI 77 77 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 GLU N 1.0 103.2 143.2 PSI 78 78 A 51 ILE C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -121.6 -81.6 PHI 79 79 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 PHE N 1.0 99.9 139.9 PSI 80 80 A 52 GLU C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -112.5 -72.5 PHI 81 81 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 GLU N 1.0 135.6 175.6 PSI 82 82 A 53 PHE C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -88.4 -48.4 PHI 83 83 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ASP N 1.0 -55.4 -15.4 PSI 84 84 A 54 GLU C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -152.8 -112.8 PHI 85 85 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 ALA N 1.0 124.4 164.4 PSI 86 86 A 55 ASP C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -82.7 -42.7 PHI 87 87 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 ARG N 1.0 -54.3 -14.3 PSI 88 88 A 56 ALA C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -84.0 -44.0 PHI 89 89 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 ASP N 1.0 -56.5 -16.5 PSI 90 90 A 57 ARG C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -87.6 -47.6 PHI 91 91 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 ALA N 1.0 -58.2 -18.2 PSI 92 92 A 58 ASP C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -85.2 -45.2 PHI 93 93 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ALA N 1.0 -62.6 -22.6 PSI 94 94 A 59 ALA C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -83.7 -43.7 PHI 95 95 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 ASP N 1.0 -58.4 -18.4 PSI 96 96 A 60 ALA C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -85.7 -45.7 PHI 97 97 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ALA N 1.0 -62.2 -22.2 PSI 98 98 A 61 ASP C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -85.0 -45.0 PHI 99 99 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 ILE N 1.0 -62.5 -22.5 PSI 100 100 A 62 ALA C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -82.7 -42.7 PHI 101 101 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 LYS N 1.0 -64.1 -24.1 PSI 102 102 A 63 ILE C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -86.9 -46.9 PHI 103 103 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 GLU N 1.0 -53.7 -13.7 PSI 104 104 A 64 LYS C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -96.0 -56.0 PHI 105 105 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 LYS N 1.0 -51.5 -11.5 PSI 106 106 A 65 GLU C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -119.9 -79.9 PHI 107 107 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ASP N 1.0 -19.5 20.5 PSI 108 108 A 66 LYS C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -78.6 -38.6 PHI 109 109 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 GLY N 1.0 107.7 147.7 PSI 110 110 A 67 ASP C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 67.4 107.4 PHI 111 111 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 CYS N 1.0 -25.2 14.8 PSI 112 112 A 68 GLY C A 69 CYS N A 69 CYS CA A 69 CYS C 1.0 -97.1 -57.1 PHI 113 113 A 69 CYS N A 69 CYS CA A 69 CYS C A 70 ASP N 1.0 129.5 169.5 PSI 114 114 A 69 CYS C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -114.2 -74.2 PHI 115 115 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 PHE N 1.0 106.6 146.6 PSI 116 116 A 70 ASP C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -146.1 -106.1 PHI 117 117 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 GLU N 1.0 97.2 137.2 PSI 118 118 A 71 PHE C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 32.1 72.1 PHI 119 119 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 GLY N 1.0 21.3 61.3 PSI 120 120 A 72 GLU C A 73 GLY N A 73 GLY CA A 73 GLY C 1.0 60.7 100.7 PHI 121 121 A 73 GLY N A 73 GLY CA A 73 GLY C A 74 ASN N 1.0 -17.8 22.2 PSI 122 122 A 73 GLY C A 74 ASN N A 74 ASN CA A 74 ASN C 1.0 -127.5 -87.5 PHI 123 123 A 74 ASN N A 74 ASN CA A 74 ASN C A 75 LYS N 1.0 115.7 155.7 PSI 124 124 A 74 ASN C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -98.7 -58.7 PHI 125 125 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 LEU N 1.0 99.7 139.7 PSI 126 126 A 76 LEU C A 77 ARG N A 77 ARG CA A 77 ARG C 1.0 -126.8 -86.8 PHI 127 127 A 77 ARG N A 77 ARG CA A 77 ARG C A 78 VAL N 1.0 106.5 146.5 PSI 128 128 A 77 ARG C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -135.9 -95.9 PHI 129 129 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 GLU N 1.0 111.8 151.8 PSI 130 130 A 78 VAL C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -157.9 -117.9 PHI 131 131 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 VAL N 1.0 133.5 173.5 PSI 132 132 A 79 GLU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -96.5 -56.5 PHI 133 133 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 PRO N 1.0 123.0 163.0 PSI stop_ save_