data_nef_c16238_2khd 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 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 MET start . . 2 A 2 SER middle . . 3 A 3 ASN middle . . 4 A 4 GLN middle . . 5 A 5 THR middle . . 6 A 6 CYS middle . . 7 A 7 VAL middle . . 8 A 8 GLU middle . . 9 A 9 ASN middle . . 10 A 10 GLU middle . . 11 A 11 VAL middle . . 12 A 12 CYS middle . . 13 A 13 GLU middle . . 14 A 14 ALA middle . . 15 A 15 CYS middle . . 16 A 16 GLY middle . false 17 A 17 CYS middle . . 18 A 18 ALA middle . . 19 A 19 GLY middle . false 20 A 20 GLU middle . . 21 A 21 ILE middle . . 22 A 22 GLY middle . false 23 A 23 PHE middle . . 24 A 24 ILE middle . . 25 A 25 ILE middle . . 26 A 26 ARG middle . . 27 A 27 GLU middle . . 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 ASP middle . . 31 A 31 VAL middle . . 32 A 32 ALA middle . . 33 A 33 GLU middle . . 34 A 34 VAL middle . . 35 A 35 SER middle . . 36 A 36 LEU middle . . 37 A 37 PHE middle . . 38 A 38 GLY middle . false 39 A 39 SER middle . . 40 A 40 ASP middle . . 41 A 41 LYS middle . . 42 A 42 ALA middle . . 43 A 43 HIS middle . . 44 A 44 LEU middle . . 45 A 45 GLU middle . . 46 A 46 GLY middle . false 47 A 47 LYS middle . . 48 A 48 LEU middle . . 49 A 49 ALA middle . . 50 A 50 GLU middle . . 51 A 51 TYR middle . . 52 A 52 ILE middle . . 53 A 53 SER middle . . 54 A 54 LEU middle . . 55 A 55 ALA middle . . 56 A 56 LYS middle . . 57 A 57 GLN middle . . 58 A 58 VAL middle . . 59 A 59 TYR middle . . 60 A 60 ALA middle . . 61 A 61 ASN middle . . 62 A 62 VAL middle . . 63 A 63 GLU middle . . 64 A 64 TYR middle . . 65 A 65 GLU middle . . 66 A 66 VAL middle . . 67 A 67 ALA middle . . 68 A 68 PRO middle . false 69 A 69 VAL middle . . 70 A 70 ALA middle . . 71 A 71 ASP middle . . 72 A 72 ASN middle . . 73 A 73 ALA middle . . 74 A 74 THR middle . . 75 A 75 GLU middle . . 76 A 76 LEU middle . . 77 A 77 HIS middle . . 78 A 78 ALA middle . . 79 A 79 ARG middle . . 80 A 80 PHE middle . . 81 A 81 LYS middle . . 82 A 82 PHE middle . . 83 A 83 GLU middle . . 84 A 84 VAL middle . . 85 A 85 SER middle . . 86 A 86 ALA middle . . 87 A 87 GLU middle . . 88 A 88 LYS middle . . 89 A 89 LEU middle . . 90 A 90 ILE middle . . 91 A 91 PHE middle . . 92 A 92 GLU middle . . 93 A 93 LEU middle . . 94 A 94 LYS middle . . 95 A 95 THR middle . . 96 A 96 ARG middle . . 97 A 97 ALA middle . . 98 A 98 LEU middle . . 99 A 99 ALA middle . . 100 A 100 ARG middle . . 101 A 101 LEU middle . . 102 A 102 GLU middle . . 103 A 103 HIS middle . . 104 A 104 HIS middle . . 105 A 105 HIS middle . . 106 A 106 HIS middle . . 107 A 107 HIS middle . . 108 A 108 HIS 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 4 GLN HA H 1 4.36 0.02 A 4 GLN HBx H 1 1.96 0.02 A 4 GLN HBy H 1 2.12 0.02 A 4 GLN HE2x H 1 7.26 0.02 A 4 GLN HGx H 1 2.34 0.02 A 4 GLN HGy H 1 2.34 0.02 A 4 GLN C C 13 176.1 0.2 A 4 GLN CA C 13 56.0 0.2 A 4 GLN CB C 13 29.3 0.2 A 4 GLN CG C 13 33.8 0.2 A 5 THR H H 1 8.28 0.02 A 5 THR HA H 1 4.32 0.02 A 5 THR HB H 1 4.18 0.02 A 5 THR HG2% H 1 1.17 0.02 A 5 THR C C 13 174.3 0.2 A 5 THR CA C 13 62.2 0.2 A 5 THR CB C 13 69.6 0.2 A 5 THR CG2 C 13 21.6 0.2 A 5 THR N N 15 115.7 0.2 A 6 CYS H H 1 8.41 0.02 A 6 CYS HA H 1 4.54 0.02 A 6 CYS HBx H 1 2.90 0.02 A 6 CYS HBy H 1 2.90 0.02 A 6 CYS C C 13 174.4 0.2 A 6 CYS CA C 13 58.2 0.2 A 6 CYS CB C 13 27.8 0.2 A 6 CYS N N 15 121.9 0.2 A 7 VAL H H 1 8.29 0.02 A 7 VAL HA H 1 4.09 0.02 A 7 VAL HB H 1 2.05 0.02 A 7 VAL HGx% H 1 0.89 0.02 A 7 VAL HGy% H 1 0.89 0.02 A 7 VAL C C 13 176.1 0.2 A 7 VAL CA C 13 62.4 0.2 A 7 VAL CB C 13 32.5 0.2 A 7 VAL CGx C 13 20.9 0.02 A 7 VAL CGy C 13 20.9 0.02 A 7 VAL N N 15 122.7 0.2 A 8 GLU H H 1 8.51 0.02 A 8 GLU HA H 1 4.24 0.02 A 8 GLU HBx H 1 1.90 0.02 A 8 GLU HBy H 1 2.02 0.02 A 8 GLU HGx H 1 2.23 0.02 A 8 GLU HGy H 1 2.23 0.02 A 8 GLU C C 13 176.1 0.2 A 8 GLU CA C 13 56.9 0.2 A 8 GLU CB C 13 30.1 0.2 A 8 GLU CG C 13 36.2 0.2 A 8 GLU N N 15 124.3 0.2 A 9 ASN H H 1 8.39 0.02 A 9 ASN HA H 1 4.65 0.02 A 9 ASN HBx H 1 2.71 0.02 A 9 ASN HBy H 1 2.78 0.02 A 9 ASN HD21 H 1 7.59 0.02 A 9 ASN HD22 H 1 6.89 0.02 A 9 ASN C C 13 174.9 0.2 A 9 ASN CA C 13 53.4 0.2 A 9 ASN CB C 13 39.0 0.2 A 9 ASN CG C 13 176.9 0.2 A 9 ASN N N 15 119.3 0.2 A 9 ASN ND2 N 15 113.0 0.2 A 10 GLU H H 1 8.33 0.02 A 10 GLU HA H 1 4.25 0.02 A 10 GLU HBx H 1 1.91 0.02 A 10 GLU HBy H 1 2.01 0.02 A 10 GLU HGx H 1 2.20 0.02 A 10 GLU HGy H 1 2.20 0.02 A 10 GLU C C 13 176.4 0.2 A 10 GLU CA C 13 56.8 0.2 A 10 GLU CB C 13 30.2 0.2 A 10 GLU CG C 13 36.1 0.2 A 10 GLU N N 15 121.4 0.2 A 11 VAL H H 1 8.25 0.02 A 11 VAL HA H 1 4.09 0.02 A 11 VAL HB H 1 2.04 0.02 A 11 VAL HGx% H 1 0.89 0.02 A 11 VAL HGy% H 1 0.89 0.02 A 11 VAL C C 13 176.1 0.2 A 11 VAL CA C 13 62.4 0.2 A 11 VAL CB C 13 32.5 0.2 A 11 VAL CGx C 13 21.1 0.02 A 11 VAL CGy C 13 21.1 0.02 A 11 VAL N N 15 121.9 0.2 A 12 CYS H H 1 8.45 0.02 A 12 CYS HA H 1 4.50 0.02 A 12 CYS HBx H 1 2.87 0.02 A 12 CYS HBy H 1 2.87 0.02 A 12 CYS C C 13 174.4 0.2 A 12 CYS CA C 13 58.3 0.2 A 12 CYS CB C 13 28.0 0.2 A 12 CYS N N 15 123.8 0.2 A 13 GLU H H 1 8.56 0.02 A 13 GLU HA H 1 4.26 0.02 A 13 GLU HBx H 1 1.90 0.02 A 13 GLU HBy H 1 2.01 0.02 A 13 GLU HGx H 1 2.24 0.02 A 13 GLU HGy H 1 2.24 0.02 A 13 GLU C C 13 176.1 0.2 A 13 GLU CA C 13 56.7 0.2 A 13 GLU CB C 13 30.2 0.2 A 13 GLU CG C 13 36.1 0.2 A 13 GLU N N 15 124.1 0.2 A 14 ALA H H 1 8.40 0.02 A 14 ALA HA H 1 4.35 0.02 A 14 ALA HB% H 1 1.37 0.02 A 14 ALA C C 13 177.7 0.2 A 14 ALA CA C 13 52.6 0.2 A 14 ALA CB C 13 19.1 0.2 A 14 ALA N N 15 125.4 0.2 A 15 CYS H H 1 8.37 0.02 A 15 CYS HA H 1 4.49 0.02 A 15 CYS HBx H 1 2.91 0.02 A 15 CYS HBy H 1 2.91 0.02 A 15 CYS C C 13 175.1 0.2 A 15 CYS CA C 13 58.4 0.2 A 15 CYS CB C 13 28.0 0.2 A 15 CYS N N 15 118.5 0.2 A 16 GLY H H 1 8.48 0.02 A 16 GLY HAx H 1 3.97 0.02 A 16 GLY HAy H 1 3.97 0.02 A 16 GLY C C 13 174.1 0.2 A 16 GLY CA C 13 45.4 0.2 A 16 GLY N N 15 111.3 0.2 A 17 CYS H H 1 8.30 0.02 A 17 CYS HA H 1 4.50 0.02 A 17 CYS HBx H 1 2.89 0.02 A 17 CYS HBy H 1 2.89 0.02 A 17 CYS C C 13 174.5 0.2 A 17 CYS CA C 13 58.3 0.2 A 17 CYS CB C 13 28.1 0.2 A 17 CYS N N 15 118.9 0.2 A 18 ALA H H 1 8.52 0.02 A 18 ALA HA H 1 4.26 0.02 A 18 ALA HB% H 1 1.36 0.02 A 18 ALA C C 13 178.0 0.2 A 18 ALA CA C 13 52.9 0.2 A 18 ALA CB C 13 19.0 0.2 A 18 ALA N N 15 126.8 0.2 A 19 GLY H H 1 8.31 0.02 A 19 GLY HAx H 1 3.89 0.02 A 19 GLY HAy H 1 3.89 0.02 A 19 GLY C C 13 174.0 0.2 A 19 GLY CA C 13 45.0 0.2 A 19 GLY N N 15 108.1 0.2 A 20 GLU H H 1 8.18 0.02 A 20 GLU HA H 1 4.27 0.02 A 20 GLU HBx H 1 1.88 0.02 A 20 GLU HBy H 1 1.99 0.02 A 20 GLU HGx H 1 2.17 0.02 A 20 GLU HGy H 1 2.17 0.02 A 20 GLU C C 13 176.4 0.2 A 20 GLU CA C 13 56.2 0.2 A 20 GLU CB C 13 30.1 0.2 A 20 GLU CG C 13 36.0 0.2 A 20 GLU N N 15 120.5 0.2 A 21 ILE H H 1 8.16 0.02 A 21 ILE HA H 1 4.02 0.02 A 21 ILE HB H 1 1.72 0.02 A 21 ILE HD1% H 1 0.67 0.02 A 21 ILE HG1x H 1 1.03 0.02 A 21 ILE HG1y H 1 1.30 0.02 A 21 ILE HG2% H 1 0.64 0.02 A 21 ILE C C 13 176.4 0.2 A 21 ILE CA C 13 61.2 0.2 A 21 ILE CB C 13 38.2 0.2 A 21 ILE CD1 C 13 12.8 0.2 A 21 ILE CG1 C 13 27.2 0.2 A 21 ILE CG2 C 13 17.5 0.2 A 21 ILE N N 15 122.0 0.2 A 22 GLY H H 1 8.26 0.02 A 22 GLY HAx H 1 3.74 0.02 A 22 GLY HAy H 1 3.88 0.02 A 22 GLY C C 13 173.2 0.2 A 22 GLY CA C 13 45.1 0.2 A 22 GLY N N 15 112.5 0.2 A 23 PHE H H 1 7.89 0.02 A 23 PHE HA H 1 4.55 0.02 A 23 PHE HBx H 1 2.65 0.02 A 23 PHE HBy H 1 3.16 0.02 A 23 PHE HDx H 1 7.12 0.02 A 23 PHE HDy H 1 7.12 0.02 A 23 PHE HEx H 1 6.93 0.02 A 23 PHE HEy H 1 6.93 0.02 A 23 PHE CA C 13 58.1 0.2 A 23 PHE CB C 13 41.2 0.2 A 23 PHE CDx C 13 131.8 0.02 A 23 PHE CDy C 13 131.8 0.02 A 23 PHE N N 15 119.7 0.2 A 24 ILE HA H 1 3.97 0.02 A 24 ILE HB H 1 1.99 0.02 A 24 ILE HD1% H 1 0.76 0.02 A 24 ILE HG1x H 1 1.20 0.02 A 24 ILE HG1y H 1 1.46 0.02 A 24 ILE HG2% H 1 0.80 0.02 A 24 ILE CA C 13 62.4 0.2 A 24 ILE CB C 13 37.7 0.2 A 24 ILE CD1 C 13 12.2 0.2 A 24 ILE CG1 C 13 27.9 0.2 A 24 ILE CG2 C 13 17.5 0.2 A 25 ILE H H 1 8.95 0.02 A 25 ILE HA H 1 3.74 0.02 A 25 ILE HB H 1 1.49 0.02 A 25 ILE HD1% H 1 0.58 0.02 A 25 ILE HG1x H 1 0.85 0.02 A 25 ILE HG1y H 1 1.67 0.02 A 25 ILE HG2% H 1 0.69 0.02 A 25 ILE C C 13 175.2 0.2 A 25 ILE CA C 13 62.7 0.2 A 25 ILE CB C 13 38.2 0.2 A 25 ILE CD1 C 13 13.4 0.2 A 25 ILE CG1 C 13 27.9 0.2 A 25 ILE CG2 C 13 18.8 0.2 A 25 ILE N N 15 124.8 0.2 A 26 ARG H H 1 8.04 0.02 A 26 ARG HA H 1 4.14 0.02 A 26 ARG HBx H 1 1.71 0.02 A 26 ARG HBy H 1 1.87 0.02 A 26 ARG HDx H 1 3.18 0.02 A 26 ARG HDy H 1 3.18 0.02 A 26 ARG HGx H 1 1.68 0.02 A 26 ARG HGy H 1 1.68 0.02 A 26 ARG C C 13 175.9 0.2 A 26 ARG CA C 13 55.3 0.2 A 26 ARG CB C 13 31.1 0.2 A 26 ARG CD C 13 43.0 0.2 A 26 ARG CG C 13 27.0 0.2 A 26 ARG N N 15 128.1 0.2 A 27 GLU H H 1 8.56 0.02 A 27 GLU HA H 1 4.03 0.02 A 27 GLU HBx H 1 1.92 0.02 A 27 GLU HBy H 1 1.92 0.02 A 27 GLU HGx H 1 2.19 0.02 A 27 GLU HGy H 1 2.19 0.02 A 27 GLU C C 13 176.3 0.2 A 27 GLU CA C 13 57.0 0.2 A 27 GLU CB C 13 30.0 0.2 A 27 GLU CG C 13 36.2 0.2 A 27 GLU N N 15 123.5 0.2 A 28 GLY H H 1 8.42 0.02 A 28 GLY HAx H 1 4.05 0.02 A 28 GLY HAy H 1 4.22 0.02 A 28 GLY C C 13 174.0 0.2 A 28 GLY CA C 13 45.4 0.2 A 28 GLY N N 15 108.3 0.2 A 29 ASP H H 1 8.69 0.02 A 29 ASP HA H 1 4.43 0.02 A 29 ASP HBx H 1 2.68 0.02 A 29 ASP HBy H 1 2.68 0.02 A 29 ASP C C 13 175.2 0.2 A 29 ASP CA C 13 56.3 0.2 A 29 ASP CB C 13 40.3 0.2 A 29 ASP N N 15 119.8 0.2 A 30 ASP H H 1 8.63 0.02 A 30 ASP HA H 1 4.26 0.02 A 30 ASP HBx H 1 2.16 0.02 A 30 ASP HBy H 1 2.99 0.02 A 30 ASP C C 13 174.3 0.2 A 30 ASP CA C 13 52.6 0.2 A 30 ASP CB C 13 39.2 0.2 A 30 ASP N N 15 114.9 0.2 A 31 VAL H H 1 7.55 0.02 A 31 VAL HA H 1 5.30 0.02 A 31 VAL HB H 1 1.99 0.02 A 31 VAL HG1% H 1 0.65 0.02 A 31 VAL HG2% H 1 0.91 0.02 A 31 VAL C C 13 175.8 0.2 A 31 VAL CA C 13 60.7 0.2 A 31 VAL CB C 13 35.0 0.2 A 31 VAL CG1 C 13 21.1 0.02 A 31 VAL CG2 C 13 21.3 0.02 A 31 VAL N N 15 120.5 0.2 A 32 ALA H H 1 9.58 0.02 A 32 ALA HA H 1 5.03 0.02 A 32 ALA HB% H 1 1.84 0.02 A 32 ALA C C 13 175.8 0.2 A 32 ALA CA C 13 50.0 0.2 A 32 ALA CB C 13 22.8 0.2 A 32 ALA N N 15 130.5 0.2 A 33 GLU H H 1 9.27 0.02 A 33 GLU HA H 1 5.14 0.02 A 33 GLU HBx H 1 1.95 0.02 A 33 GLU HBy H 1 2.10 0.02 A 33 GLU HGx H 1 2.14 0.02 A 33 GLU HGy H 1 2.22 0.02 A 33 GLU C C 13 175.9 0.2 A 33 GLU CA C 13 55.3 0.2 A 33 GLU CB C 13 31.5 0.2 A 33 GLU CG C 13 36.5 0.2 A 33 GLU N N 15 124.5 0.2 A 34 VAL H H 1 9.14 0.02 A 34 VAL HA H 1 4.58 0.02 A 34 VAL HB H 1 1.86 0.02 A 34 VAL HG1% H 1 0.57 0.02 A 34 VAL HG2% H 1 1.00 0.02 A 34 VAL C C 13 174.3 0.2 A 34 VAL CA C 13 60.8 0.2 A 34 VAL CB C 13 35.7 0.2 A 34 VAL CG1 C 13 20.5 0.02 A 34 VAL CG2 C 13 21.2 0.02 A 34 VAL N N 15 124.7 0.2 A 35 SER H H 1 8.45 0.02 A 35 SER HA H 1 5.06 0.02 A 35 SER HBx H 1 3.54 0.02 A 35 SER HBy H 1 3.65 0.02 A 35 SER C C 13 172.1 0.2 A 35 SER CA C 13 56.9 0.2 A 35 SER CB C 13 64.8 0.2 A 35 SER N N 15 122.1 0.2 A 36 LEU H H 1 8.54 0.02 A 36 LEU HA H 1 4.57 0.02 A 36 LEU HBx H 1 1.16 0.02 A 36 LEU HBy H 1 1.34 0.02 A 36 LEU HD1% H 1 0.49 0.02 A 36 LEU HD2% H 1 0.51 0.02 A 36 LEU HG H 1 1.17 0.02 A 36 LEU C C 13 174.2 0.2 A 36 LEU CA C 13 52.6 0.2 A 36 LEU CB C 13 45.6 0.2 A 36 LEU CD1 C 13 23.6 0.02 A 36 LEU CD2 C 13 25.6 0.02 A 36 LEU CG C 13 26.9 0.2 A 36 LEU N N 15 123.6 0.2 A 37 PHE H H 1 8.40 0.02 A 37 PHE HA H 1 5.30 0.02 A 37 PHE HBx H 1 2.75 0.02 A 37 PHE HBy H 1 3.14 0.02 A 37 PHE HDx H 1 7.20 0.02 A 37 PHE HDy H 1 7.20 0.02 A 37 PHE C C 13 175.6 0.2 A 37 PHE CA C 13 56.3 0.2 A 37 PHE CB C 13 42.0 0.2 A 37 PHE CDx C 13 129.4 0.02 A 37 PHE CDy C 13 129.4 0.02 A 37 PHE N N 15 118.3 0.2 A 38 GLY H H 1 8.34 0.02 A 38 GLY HAx H 1 3.75 0.02 A 38 GLY HAy H 1 4.21 0.02 A 38 GLY CA C 13 45.6 0.2 A 38 GLY N N 15 109.3 0.2 A 39 SER HA H 1 4.21 0.02 A 39 SER HBx H 1 3.69 0.02 A 39 SER HBy H 1 3.69 0.02 A 39 SER C C 13 173.7 0.2 A 39 SER CA C 13 60.1 0.2 A 39 SER CB C 13 63.9 0.2 A 40 ASP H H 1 7.67 0.02 A 40 ASP HA H 1 4.81 0.02 A 40 ASP HBx H 1 3.05 0.02 A 40 ASP HBy H 1 3.05 0.02 A 40 ASP C C 13 175.5 0.2 A 40 ASP CA C 13 52.9 0.2 A 40 ASP CB C 13 41.3 0.2 A 40 ASP N N 15 115.8 0.2 A 41 LYS H H 1 8.26 0.02 A 41 LYS HA H 1 3.78 0.02 A 41 LYS HBx H 1 1.87 0.02 A 41 LYS HBy H 1 2.11 0.02 A 41 LYS HDx H 1 1.63 0.02 A 41 LYS HDy H 1 1.63 0.02 A 41 LYS HEx H 1 2.93 0.02 A 41 LYS HEy H 1 2.93 0.02 A 41 LYS HGx H 1 1.20 0.02 A 41 LYS HGy H 1 1.29 0.02 A 41 LYS C C 13 177.1 0.2 A 41 LYS CA C 13 60.5 0.2 A 41 LYS CB C 13 33.4 0.2 A 41 LYS CD C 13 30.0 0.2 A 41 LYS CE C 13 42.1 0.2 A 41 LYS CG C 13 24.8 0.2 A 41 LYS N N 15 120.2 0.2 A 42 ALA H H 1 8.42 0.02 A 42 ALA HA H 1 4.18 0.02 A 42 ALA HB% H 1 1.37 0.02 A 42 ALA C C 13 181.9 0.2 A 42 ALA CA C 13 55.4 0.2 A 42 ALA CB C 13 17.7 0.2 A 42 ALA N N 15 120.7 0.2 A 43 HIS H H 1 8.49 0.02 A 43 HIS HA H 1 4.33 0.02 A 43 HIS HBx H 1 3.18 0.02 A 43 HIS HBy H 1 3.29 0.02 A 43 HIS C C 13 178.8 0.2 A 43 HIS CA C 13 59.6 0.2 A 43 HIS CB C 13 30.3 0.2 A 43 HIS N N 15 118.0 0.2 A 44 LEU H H 1 8.34 0.02 A 44 LEU HA H 1 3.75 0.02 A 44 LEU HBx H 1 1.20 0.02 A 44 LEU HBy H 1 1.93 0.02 A 44 LEU HD1% H 1 0.34 0.02 A 44 LEU HD2% H 1 0.42 0.02 A 44 LEU HG H 1 1.46 0.02 A 44 LEU C C 13 178.5 0.2 A 44 LEU CA C 13 58.2 0.2 A 44 LEU CB C 13 42.1 0.2 A 44 LEU CD1 C 13 25.5 0.02 A 44 LEU CD2 C 13 22.9 0.02 A 44 LEU CG C 13 26.6 0.2 A 44 LEU N N 15 121.5 0.2 A 45 GLU H H 1 8.88 0.02 A 45 GLU HA H 1 3.75 0.02 A 45 GLU HBx H 1 1.93 0.02 A 45 GLU HBy H 1 2.07 0.02 A 45 GLU HGx H 1 2.02 0.02 A 45 GLU HGy H 1 2.49 0.02 A 45 GLU C C 13 180.2 0.2 A 45 GLU CA C 13 60.0 0.2 A 45 GLU CB C 13 29.0 0.2 A 45 GLU CG C 13 37.7 0.2 A 45 GLU N N 15 118.3 0.2 A 46 GLY H H 1 7.97 0.02 A 46 GLY HAx H 1 3.92 0.02 A 46 GLY HAy H 1 3.92 0.02 A 46 GLY C C 13 176.5 0.2 A 46 GLY CA C 13 46.9 0.2 A 46 GLY N N 15 108.1 0.2 A 47 LYS H H 1 7.69 0.02 A 47 LYS HA H 1 4.32 0.02 A 47 LYS HBx H 1 1.84 0.02 A 47 LYS HBy H 1 1.92 0.02 A 47 LYS HDx H 1 1.67 0.02 A 47 LYS HDy H 1 1.78 0.02 A 47 LYS HEx H 1 2.89 0.02 A 47 LYS HEy H 1 2.89 0.02 A 47 LYS HGx H 1 1.53 0.02 A 47 LYS HGy H 1 1.61 0.02 A 47 LYS C C 13 179.4 0.2 A 47 LYS CA C 13 58.4 0.2 A 47 LYS CB C 13 32.1 0.2 A 47 LYS CD C 13 28.9 0.2 A 47 LYS CE C 13 42.0 0.2 A 47 LYS CG C 13 25.1 0.2 A 47 LYS N N 15 122.4 0.2 A 48 LEU H H 1 8.55 0.02 A 48 LEU HA H 1 3.98 0.02 A 48 LEU HBx H 1 1.37 0.02 A 48 LEU HBy H 1 1.98 0.02 A 48 LEU HD1% H 1 0.76 0.02 A 48 LEU HD2% H 1 0.93 0.02 A 48 LEU HG H 1 1.69 0.02 A 48 LEU C C 13 178.3 0.2 A 48 LEU CA C 13 57.9 0.2 A 48 LEU CB C 13 40.8 0.2 A 48 LEU CD1 C 13 22.1 0.02 A 48 LEU CD2 C 13 26.8 0.02 A 48 LEU CG C 13 26.2 0.2 A 48 LEU N N 15 120.6 0.2 A 49 ALA H H 1 7.81 0.02 A 49 ALA HA H 1 4.00 0.02 A 49 ALA HB% H 1 1.58 0.02 A 49 ALA C C 13 180.4 0.2 A 49 ALA CA C 13 55.6 0.2 A 49 ALA CB C 13 17.9 0.2 A 49 ALA N N 15 120.0 0.2 A 50 GLU H H 1 7.52 0.02 A 50 GLU HA H 1 4.13 0.02 A 50 GLU HBx H 1 2.06 0.02 A 50 GLU HBy H 1 2.27 0.02 A 50 GLU HGx H 1 2.20 0.02 A 50 GLU HGy H 1 2.45 0.02 A 50 GLU C C 13 179.6 0.2 A 50 GLU CA C 13 59.2 0.2 A 50 GLU CB C 13 29.8 0.2 A 50 GLU CG C 13 36.2 0.2 A 50 GLU N N 15 117.3 0.2 A 51 TYR H H 1 7.86 0.02 A 51 TYR HA H 1 3.90 0.02 A 51 TYR HBx H 1 2.70 0.02 A 51 TYR HBy H 1 3.50 0.02 A 51 TYR HDx H 1 7.13 0.02 A 51 TYR HDy H 1 7.13 0.02 A 51 TYR HEx H 1 6.63 0.02 A 51 TYR HEy H 1 6.63 0.02 A 51 TYR C C 13 177.9 0.2 A 51 TYR CA C 13 62.4 0.2 A 51 TYR CB C 13 38.2 0.2 A 51 TYR CDx C 13 132.3 0.02 A 51 TYR CDy C 13 132.3 0.02 A 51 TYR CEx C 13 118.7 0.02 A 51 TYR CEy C 13 118.7 0.02 A 51 TYR N N 15 120.3 0.2 A 52 ILE H H 1 8.59 0.02 A 52 ILE HA H 1 3.42 0.02 A 52 ILE HB H 1 1.69 0.02 A 52 ILE HD1% H 1 0.59 0.02 A 52 ILE HG1x H 1 0.06 0.02 A 52 ILE HG1y H 1 1.58 0.02 A 52 ILE HG2% H 1 0.67 0.02 A 52 ILE C C 13 177.4 0.2 A 52 ILE CA C 13 66.2 0.2 A 52 ILE CB C 13 38.2 0.2 A 52 ILE CD1 C 13 14.4 0.2 A 52 ILE CG1 C 13 29.2 0.2 A 52 ILE CG2 C 13 17.1 0.2 A 52 ILE N N 15 120.1 0.2 A 53 SER H H 1 7.86 0.02 A 53 SER HA H 1 4.08 0.02 A 53 SER HBx H 1 3.91 0.02 A 53 SER HBy H 1 3.91 0.02 A 53 SER C C 13 177.7 0.2 A 53 SER CA C 13 61.8 0.2 A 53 SER CB C 13 62.6 0.2 A 53 SER N N 15 113.1 0.2 A 54 LEU H H 1 7.61 0.02 A 54 LEU HA H 1 4.09 0.02 A 54 LEU HBx H 1 1.47 0.02 A 54 LEU HBy H 1 1.76 0.02 A 54 LEU HD1% H 1 0.67 0.02 A 54 LEU HD2% H 1 0.65 0.02 A 54 LEU HG H 1 1.68 0.02 A 54 LEU C C 13 178.6 0.2 A 54 LEU CA C 13 58.0 0.2 A 54 LEU CB C 13 42.2 0.2 A 54 LEU CD1 C 13 24.7 0.02 A 54 LEU CD2 C 13 24.5 0.02 A 54 LEU CG C 13 27.2 0.2 A 54 LEU N N 15 121.2 0.2 A 55 ALA H H 1 8.64 0.02 A 55 ALA HA H 1 3.86 0.02 A 55 ALA HB% H 1 1.10 0.02 A 55 ALA C C 13 179.1 0.2 A 55 ALA CA C 13 56.2 0.2 A 55 ALA CB C 13 19.0 0.2 A 55 ALA N N 15 121.9 0.2 A 56 LYS H H 1 8.12 0.02 A 56 LYS HA H 1 4.22 0.02 A 56 LYS HBx H 1 1.80 0.02 A 56 LYS HBy H 1 1.80 0.02 A 56 LYS HDx H 1 1.67 0.02 A 56 LYS HDy H 1 1.67 0.02 A 56 LYS HEx H 1 2.96 0.02 A 56 LYS HEy H 1 2.96 0.02 A 56 LYS HGy H 1 1.56 0.02 A 56 LYS HGx H 1 1.39 0.02 A 56 LYS C C 13 178.8 0.2 A 56 LYS CA C 13 58.3 0.2 A 56 LYS CB C 13 32.9 0.2 A 56 LYS CD C 13 30.0 0.2 A 56 LYS CE C 13 42.2 0.2 A 56 LYS CG C 13 26.9 0.2 A 56 LYS N N 15 115.6 0.2 A 57 GLN H H 1 7.59 0.02 A 57 GLN HA H 1 4.01 0.02 A 57 GLN HBx H 1 2.21 0.02 A 57 GLN HBy H 1 2.32 0.02 A 57 GLN HE21 H 1 7.25 0.02 A 57 GLN HE22 H 1 6.80 0.02 A 57 GLN HGx H 1 2.33 0.02 A 57 GLN HGy H 1 2.60 0.02 A 57 GLN C C 13 178.3 0.2 A 57 GLN CA C 13 58.4 0.2 A 57 GLN CB C 13 28.6 0.2 A 57 GLN CD C 13 180.4 0.2 A 57 GLN CG C 13 34.2 0.2 A 57 GLN N N 15 117.9 0.2 A 57 GLN NE2 N 15 111.4 0.2 A 58 VAL H H 1 7.65 0.02 A 58 VAL HA H 1 3.75 0.02 A 58 VAL HB H 1 2.46 0.02 A 58 VAL HG1% H 1 0.94 0.02 A 58 VAL HG2% H 1 1.06 0.02 A 58 VAL C C 13 176.4 0.2 A 58 VAL CA C 13 65.5 0.2 A 58 VAL CB C 13 32.0 0.2 A 58 VAL CG1 C 13 21.8 0.02 A 58 VAL CG2 C 13 22.8 0.02 A 58 VAL N N 15 120.2 0.2 A 59 TYR H H 1 8.70 0.02 A 59 TYR HA H 1 5.04 0.02 A 59 TYR HBx H 1 2.92 0.02 A 59 TYR HBy H 1 3.24 0.02 A 59 TYR HDx H 1 7.17 0.02 A 59 TYR HDy H 1 7.17 0.02 A 59 TYR HEx H 1 6.89 0.02 A 59 TYR HEy H 1 6.89 0.02 A 59 TYR C C 13 174.1 0.2 A 59 TYR CA C 13 55.5 0.2 A 59 TYR CB C 13 40.5 0.2 A 59 TYR CDx C 13 132.3 0.02 A 59 TYR CDy C 13 132.3 0.02 A 59 TYR CEx C 13 119.0 0.02 A 59 TYR CEy C 13 119.0 0.02 A 59 TYR N N 15 120.4 0.2 A 60 ALA H H 1 8.90 0.02 A 60 ALA HA H 1 4.23 0.02 A 60 ALA HB% H 1 1.33 0.02 A 60 ALA CA C 13 55.4 0.2 A 60 ALA CB C 13 18.1 0.2 A 60 ALA N N 15 131.0 0.2 A 61 ASN H H 1 5.43 0.02 A 61 ASN HA H 1 4.76 0.02 A 61 ASN HBx H 1 2.05 0.02 A 61 ASN HBy H 1 2.93 0.02 A 61 ASN HD21 H 1 7.42 0.02 A 61 ASN HD22 H 1 6.84 0.02 A 61 ASN C C 13 173.2 0.2 A 61 ASN CA C 13 51.8 0.2 A 61 ASN CB C 13 37.6 0.2 A 61 ASN CG C 13 177.0 0.2 A 61 ASN N N 15 111.1 0.2 A 61 ASN ND2 N 15 111.9 0.2 A 62 VAL H H 1 6.87 0.02 A 62 VAL HA H 1 3.73 0.02 A 62 VAL HB H 1 2.27 0.02 A 62 VAL HG1% H 1 0.78 0.02 A 62 VAL HG2% H 1 0.38 0.02 A 62 VAL C C 13 172.4 0.2 A 62 VAL CA C 13 62.5 0.2 A 62 VAL CB C 13 31.3 0.2 A 62 VAL CG1 C 13 19.3 0.02 A 62 VAL CG2 C 13 21.5 0.02 A 62 VAL N N 15 120.4 0.2 A 63 GLU H H 1 7.36 0.02 A 63 GLU HA H 1 4.59 0.02 A 63 GLU HBx H 1 1.78 0.02 A 63 GLU HBy H 1 1.89 0.02 A 63 GLU HGx H 1 2.07 0.02 A 63 GLU HGy H 1 2.26 0.02 A 63 GLU C C 13 174.5 0.2 A 63 GLU CA C 13 54.0 0.2 A 63 GLU CB C 13 32.7 0.2 A 63 GLU CG C 13 36.2 0.2 A 63 GLU N N 15 126.5 0.2 A 64 TYR H H 1 8.30 0.02 A 64 TYR HA H 1 5.40 0.02 A 64 TYR HBx H 1 1.79 0.02 A 64 TYR HBy H 1 2.25 0.02 A 64 TYR HDx H 1 6.47 0.02 A 64 TYR HDy H 1 6.47 0.02 A 64 TYR HEx H 1 6.65 0.02 A 64 TYR HEy H 1 6.65 0.02 A 64 TYR C C 13 173.4 0.2 A 64 TYR CA C 13 54.8 0.2 A 64 TYR CB C 13 41.8 0.2 A 64 TYR CDx C 13 132.7 0.02 A 64 TYR CDy C 13 132.7 0.02 A 64 TYR CEx C 13 118.0 0.02 A 64 TYR CEy C 13 118.0 0.02 A 64 TYR N N 15 118.8 0.2 A 65 GLU H H 1 8.47 0.02 A 65 GLU HA H 1 4.44 0.02 A 65 GLU HBx H 1 1.83 0.02 A 65 GLU HBy H 1 1.83 0.02 A 65 GLU HGx H 1 2.03 0.02 A 65 GLU HGy H 1 2.20 0.02 A 65 GLU C C 13 173.8 0.2 A 65 GLU CA C 13 54.6 0.2 A 65 GLU CB C 13 35.0 0.2 A 65 GLU CG C 13 36.0 0.2 A 65 GLU N N 15 121.3 0.2 A 66 VAL H H 1 8.78 0.02 A 66 VAL HA H 1 4.60 0.02 A 66 VAL HB H 1 1.95 0.02 A 66 VAL HGx% H 1 1.05 0.02 A 66 VAL HGy% H 1 0.94 0.02 A 66 VAL C C 13 175.9 0.2 A 66 VAL CA C 13 60.8 0.2 A 66 VAL CB C 13 33.8 0.2 A 66 VAL CGx C 13 21.0 0.02 A 66 VAL CGy C 13 21.4 0.02 A 66 VAL N N 15 126.0 0.2 A 67 ALA H H 1 8.40 0.02 A 67 ALA HA H 1 4.39 0.02 A 67 ALA HB% H 1 1.17 0.02 A 67 ALA CA C 13 51.1 0.2 A 67 ALA CB C 13 16.8 0.2 A 67 ALA N N 15 132.4 0.2 A 68 PRO HA H 1 4.26 0.02 A 68 PRO HBx H 1 1.79 0.02 A 68 PRO HBy H 1 2.19 0.02 A 68 PRO HDx H 1 3.48 0.02 A 68 PRO HDy H 1 3.75 0.02 A 68 PRO HGx H 1 1.96 0.02 A 68 PRO HGy H 1 2.05 0.02 A 68 PRO C C 13 176.4 0.2 A 68 PRO CA C 13 63.8 0.2 A 68 PRO CB C 13 31.8 0.2 A 68 PRO CD C 13 50.0 0.2 A 68 PRO CG C 13 27.8 0.2 A 69 VAL H H 1 8.24 0.02 A 69 VAL HA H 1 4.36 0.02 A 69 VAL HB H 1 2.08 0.02 A 69 VAL HG1% H 1 0.98 0.02 A 69 VAL HG2% H 1 0.96 0.02 A 69 VAL C C 13 175.5 0.2 A 69 VAL CA C 13 60.5 0.2 A 69 VAL CB C 13 34.2 0.2 A 69 VAL CG1 C 13 22.1 0.02 A 69 VAL CG2 C 13 20.4 0.02 A 69 VAL N N 15 121.6 0.2 A 70 ALA H H 1 8.63 0.02 A 70 ALA HA H 1 4.37 0.02 A 70 ALA HB% H 1 1.50 0.02 A 70 ALA C C 13 178.1 0.2 A 70 ALA CA C 13 51.7 0.2 A 70 ALA CB C 13 19.7 0.2 A 70 ALA N N 15 128.8 0.2 A 71 ASP H H 1 8.64 0.02 A 71 ASP HA H 1 4.33 0.02 A 71 ASP HBx H 1 2.59 0.02 A 71 ASP HBy H 1 2.66 0.02 A 71 ASP C C 13 177.0 0.2 A 71 ASP CA C 13 57.3 0.2 A 71 ASP CB C 13 40.3 0.2 A 71 ASP N N 15 118.9 0.2 A 72 ASN H H 1 8.10 0.02 A 72 ASN HA H 1 4.81 0.02 A 72 ASN HBx H 1 2.80 0.02 A 72 ASN HBy H 1 3.06 0.02 A 72 ASN HD21 H 1 7.65 0.02 A 72 ASN HD22 H 1 6.85 0.02 A 72 ASN C C 13 175.3 0.2 A 72 ASN CA C 13 51.9 0.2 A 72 ASN CB C 13 37.4 0.2 A 72 ASN CG C 13 178.2 0.2 A 72 ASN N N 15 114.8 0.2 A 72 ASN ND2 N 15 111.8 0.2 A 73 ALA H H 1 7.58 0.02 A 73 ALA HA H 1 4.23 0.02 A 73 ALA HB% H 1 1.57 0.02 A 73 ALA C C 13 176.3 0.2 A 73 ALA CA C 13 53.2 0.2 A 73 ALA CB C 13 21.0 0.2 A 73 ALA N N 15 123.4 0.2 A 74 THR H H 1 8.22 0.02 A 74 THR HA H 1 4.56 0.02 A 74 THR HB H 1 4.83 0.02 A 74 THR HG2% H 1 1.14 0.02 A 74 THR C C 13 174.1 0.2 A 74 THR CA C 13 60.2 0.2 A 74 THR CB C 13 69.9 0.2 A 74 THR CG2 C 13 21.4 0.2 A 74 THR N N 15 104.6 0.2 A 75 GLU H H 1 7.31 0.02 A 75 GLU HA H 1 5.19 0.02 A 75 GLU HBx H 1 1.69 0.02 A 75 GLU HBy H 1 1.93 0.02 A 75 GLU HGx H 1 1.92 0.02 A 75 GLU HGy H 1 2.14 0.02 A 75 GLU C C 13 173.6 0.2 A 75 GLU CA C 13 54.1 0.2 A 75 GLU CB C 13 34.1 0.2 A 75 GLU CG C 13 35.6 0.2 A 75 GLU N N 15 119.1 0.2 A 76 LEU H H 1 8.40 0.02 A 76 LEU HA H 1 4.65 0.02 A 76 LEU HBx H 1 1.23 0.02 A 76 LEU HBy H 1 1.49 0.02 A 76 LEU HD1% H 1 0.79 0.02 A 76 LEU HD2% H 1 0.69 0.02 A 76 LEU HG H 1 1.59 0.02 A 76 LEU C C 13 174.1 0.2 A 76 LEU CA C 13 54.2 0.2 A 76 LEU CB C 13 47.4 0.2 A 76 LEU CD1 C 13 26.8 0.02 A 76 LEU CD2 C 13 26.4 0.02 A 76 LEU CG C 13 27.0 0.2 A 76 LEU N N 15 122.6 0.2 A 77 HIS H H 1 9.34 0.02 A 77 HIS HA H 1 5.44 0.02 A 77 HIS HBx H 1 2.99 0.02 A 77 HIS HBy H 1 3.32 0.02 A 77 HIS C C 13 172.7 0.2 A 77 HIS CA C 13 54.4 0.2 A 77 HIS CB C 13 31.7 0.2 A 77 HIS N N 15 123.5 0.2 A 78 ALA H H 1 9.19 0.02 A 78 ALA HA H 1 5.62 0.02 A 78 ALA HB% H 1 1.17 0.02 A 78 ALA C C 13 175.6 0.2 A 78 ALA CA C 13 50.3 0.2 A 78 ALA CB C 13 24.1 0.2 A 78 ALA N N 15 124.8 0.2 A 79 ARG H H 1 8.68 0.02 A 79 ARG HA H 1 5.23 0.02 A 79 ARG HBx H 1 1.13 0.02 A 79 ARG HBy H 1 1.13 0.02 A 79 ARG HGx H 1 1.30 0.02 A 79 ARG HGy H 1 1.30 0.02 A 79 ARG C C 13 173.9 0.2 A 79 ARG CA C 13 55.3 0.2 A 79 ARG CB C 13 34.4 0.2 A 79 ARG CD C 13 43.2 0.2 A 79 ARG CG C 13 34.4 0.2 A 79 ARG N N 15 119.1 0.2 A 80 PHE H H 1 8.97 0.02 A 80 PHE HA H 1 4.72 0.02 A 80 PHE HBx H 1 2.06 0.02 A 80 PHE HBy H 1 2.72 0.02 A 80 PHE HDx H 1 6.82 0.02 A 80 PHE HDy H 1 6.82 0.02 A 80 PHE HEx H 1 6.72 0.02 A 80 PHE HEy H 1 6.72 0.02 A 80 PHE HZ H 1 6.70 0.02 A 80 PHE C C 13 172.7 0.2 A 80 PHE CA C 13 56.3 0.2 A 80 PHE CB C 13 42.6 0.2 A 80 PHE CDx C 13 132.0 0.02 A 80 PHE CDy C 13 132.0 0.02 A 80 PHE CEx C 13 130.1 0.02 A 80 PHE CEy C 13 130.1 0.02 A 80 PHE CZ C 13 127.7 0.2 A 80 PHE N N 15 119.2 0.2 A 81 LYS H H 1 9.35 0.02 A 81 LYS HA H 1 4.80 0.02 A 81 LYS HBx H 1 1.33 0.02 A 81 LYS HBy H 1 1.82 0.02 A 81 LYS HDx H 1 1.47 0.02 A 81 LYS HDy H 1 1.65 0.02 A 81 LYS HEx H 1 2.94 0.02 A 81 LYS HEy H 1 2.94 0.02 A 81 LYS HGx H 1 1.20 0.02 A 81 LYS HGy H 1 1.31 0.02 A 81 LYS C C 13 174.5 0.2 A 81 LYS CA C 13 55.6 0.2 A 81 LYS CB C 13 35.2 0.2 A 81 LYS CD C 13 29.7 0.2 A 81 LYS CE C 13 41.6 0.2 A 81 LYS CG C 13 24.7 0.2 A 81 LYS N N 15 124.5 0.2 A 82 PHE H H 1 8.84 0.02 A 82 PHE HA H 1 4.55 0.02 A 82 PHE HBx H 1 2.66 0.02 A 82 PHE HBy H 1 3.90 0.02 A 82 PHE HDx H 1 7.23 0.02 A 82 PHE HDy H 1 7.23 0.02 A 82 PHE HEx H 1 7.05 0.02 A 82 PHE HEy H 1 7.05 0.02 A 82 PHE HZ H 1 5.82 0.02 A 82 PHE C C 13 173.2 0.2 A 82 PHE CA C 13 57.8 0.2 A 82 PHE CB C 13 40.1 0.2 A 82 PHE CDx C 13 132.3 0.02 A 82 PHE CDy C 13 132.3 0.02 A 82 PHE CEx C 13 130.6 0.02 A 82 PHE CEy C 13 130.6 0.02 A 82 PHE CZ C 13 128.4 0.2 A 82 PHE N N 15 127.9 0.2 A 83 GLU H H 1 7.59 0.02 A 83 GLU HA H 1 4.12 0.02 A 83 GLU HBx H 1 1.79 0.02 A 83 GLU HBy H 1 1.90 0.02 A 83 GLU HGx H 1 2.13 0.02 A 83 GLU HGy H 1 2.19 0.02 A 83 GLU C C 13 177.5 0.2 A 83 GLU CA C 13 58.9 0.2 A 83 GLU CB C 13 29.9 0.2 A 83 GLU CG C 13 36.3 0.2 A 83 GLU N N 15 119.4 0.2 A 84 VAL H H 1 7.47 0.02 A 84 VAL HA H 1 4.77 0.02 A 84 VAL HB H 1 2.39 0.02 A 84 VAL HG1% H 1 0.90 0.02 A 84 VAL HG2% H 1 0.80 0.02 A 84 VAL C C 13 177.1 0.2 A 84 VAL CA C 13 58.5 0.2 A 84 VAL CB C 13 36.0 0.2 A 84 VAL CG1 C 13 22.4 0.02 A 84 VAL CG2 C 13 18.8 0.02 A 84 VAL N N 15 108.0 0.2 A 85 SER H H 1 8.98 0.02 A 85 SER HA H 1 4.16 0.02 A 85 SER HBx H 1 3.77 0.02 A 85 SER HBy H 1 3.77 0.02 A 85 SER C C 13 176.9 0.2 A 85 SER CA C 13 61.2 0.2 A 85 SER CB C 13 62.6 0.2 A 85 SER N N 15 120.3 0.2 A 86 ALA H H 1 8.37 0.02 A 86 ALA HA H 1 4.00 0.02 A 86 ALA HB% H 1 1.38 0.02 A 86 ALA C C 13 180.5 0.2 A 86 ALA CA C 13 55.6 0.2 A 86 ALA CB C 13 18.5 0.2 A 86 ALA N N 15 121.8 0.2 A 87 GLU H H 1 6.92 0.02 A 87 GLU HA H 1 3.64 0.02 A 87 GLU HBx H 1 1.62 0.02 A 87 GLU HBy H 1 2.41 0.02 A 87 GLU HGx H 1 2.17 0.02 A 87 GLU HGy H 1 2.24 0.02 A 87 GLU C C 13 176.7 0.2 A 87 GLU CA C 13 58.0 0.2 A 87 GLU CB C 13 29.3 0.2 A 87 GLU CG C 13 35.6 0.2 A 87 GLU N N 15 114.8 0.2 A 88 LYS H H 1 6.52 0.02 A 88 LYS HA H 1 3.14 0.02 A 88 LYS HBx H 1 1.66 0.02 A 88 LYS HBy H 1 2.23 0.02 A 88 LYS HDx H 1 1.49 0.02 A 88 LYS HDy H 1 1.61 0.02 A 88 LYS HEx H 1 2.96 0.02 A 88 LYS HEy H 1 2.96 0.02 A 88 LYS HGx H 1 1.30 0.02 A 88 LYS HGy H 1 1.37 0.02 A 88 LYS C C 13 178.1 0.2 A 88 LYS CA C 13 59.7 0.2 A 88 LYS CB C 13 32.3 0.2 A 88 LYS CD C 13 29.5 0.2 A 88 LYS CE C 13 42.7 0.2 A 88 LYS CG C 13 25.0 0.2 A 88 LYS N N 15 119.9 0.2 A 89 LEU H H 1 7.92 0.02 A 89 LEU HA H 1 4.08 0.02 A 89 LEU HBx H 1 1.52 0.02 A 89 LEU HBy H 1 1.75 0.02 A 89 LEU HD1% H 1 0.86 0.02 A 89 LEU HD2% H 1 0.87 0.02 A 89 LEU HG H 1 1.70 0.02 A 89 LEU C C 13 179.9 0.2 A 89 LEU CA C 13 58.0 0.2 A 89 LEU CB C 13 41.5 0.2 A 89 LEU CD1 C 13 24.9 0.02 A 89 LEU CD2 C 13 23.2 0.02 A 89 LEU CG C 13 26.9 0.2 A 89 LEU N N 15 118.2 0.2 A 90 ILE H H 1 7.57 0.02 A 90 ILE HA H 1 3.71 0.02 A 90 ILE HB H 1 1.80 0.02 A 90 ILE HD1% H 1 0.82 0.02 A 90 ILE HG1y H 1 1.69 0.02 A 90 ILE HG1x H 1 1.15 0.02 A 90 ILE HG2% H 1 0.93 0.02 A 90 ILE C C 13 178.0 0.2 A 90 ILE CA C 13 64.7 0.2 A 90 ILE CB C 13 37.6 0.2 A 90 ILE CD1 C 13 12.8 0.2 A 90 ILE CG1 C 13 29.1 0.2 A 90 ILE CG2 C 13 18.2 0.2 A 90 ILE N N 15 120.4 0.2 A 91 PHE H H 1 8.18 0.02 A 91 PHE HA H 1 3.92 0.02 A 91 PHE HBx H 1 2.68 0.02 A 91 PHE HBy H 1 2.87 0.02 A 91 PHE HDx H 1 6.84 0.02 A 91 PHE HDy H 1 6.84 0.02 A 91 PHE HEx H 1 7.05 0.02 A 91 PHE HEy H 1 7.05 0.02 A 91 PHE HZ H 1 6.24 0.02 A 91 PHE C C 13 177.2 0.2 A 91 PHE CA C 13 61.6 0.2 A 91 PHE CB C 13 39.6 0.2 A 91 PHE CDx C 13 132.0 0.02 A 91 PHE CDy C 13 132.0 0.02 A 91 PHE CEx C 13 133.2 0.02 A 91 PHE CEy C 13 133.2 0.02 A 91 PHE CZ C 13 129.4 0.2 A 91 PHE N N 15 120.1 0.2 A 92 GLU H H 1 8.47 0.02 A 92 GLU HA H 1 3.62 0.02 A 92 GLU HBx H 1 1.94 0.02 A 92 GLU HBy H 1 2.18 0.02 A 92 GLU HGx H 1 2.14 0.02 A 92 GLU HGy H 1 2.71 0.02 A 92 GLU C C 13 179.1 0.2 A 92 GLU CA C 13 60.1 0.2 A 92 GLU CB C 13 29.3 0.2 A 92 GLU CG C 13 38.0 0.2 A 92 GLU N N 15 118.8 0.2 A 93 LEU H H 1 7.98 0.02 A 93 LEU HA H 1 4.00 0.02 A 93 LEU HBx H 1 1.68 0.02 A 93 LEU HBy H 1 1.85 0.02 A 93 LEU HD1% H 1 0.86 0.02 A 93 LEU HD2% H 1 0.83 0.02 A 93 LEU HG H 1 1.73 0.02 A 93 LEU C C 13 180.6 0.2 A 93 LEU CA C 13 58.3 0.2 A 93 LEU CB C 13 41.7 0.2 A 93 LEU CD1 C 13 24.9 0.02 A 93 LEU CD2 C 13 23.9 0.02 A 93 LEU CG C 13 26.8 0.2 A 93 LEU N N 15 120.8 0.2 A 94 LYS H H 1 8.34 0.02 A 94 LYS HA H 1 3.99 0.02 A 94 LYS HBx H 1 1.80 0.02 A 94 LYS HBy H 1 1.80 0.02 A 94 LYS HDx H 1 1.46 0.02 A 94 LYS HDy H 1 1.53 0.02 A 94 LYS HEx H 1 2.79 0.02 A 94 LYS HEy H 1 2.92 0.02 A 94 LYS HGx H 1 1.45 0.02 A 94 LYS HGy H 1 1.61 0.02 A 94 LYS C C 13 179.6 0.2 A 94 LYS CA C 13 59.2 0.2 A 94 LYS CB C 13 33.1 0.2 A 94 LYS CD C 13 29.5 0.2 A 94 LYS CE C 13 42.1 0.2 A 94 LYS CG C 13 25.8 0.2 A 94 LYS N N 15 119.3 0.2 A 95 THR H H 1 8.10 0.02 A 95 THR HA H 1 3.64 0.02 A 95 THR HB H 1 3.95 0.02 A 95 THR HG2% H 1 0.26 0.02 A 95 THR C C 13 176.8 0.2 A 95 THR CA C 13 63.8 0.2 A 95 THR CB C 13 68.9 0.2 A 95 THR CG2 C 13 22.6 0.2 A 95 THR N N 15 109.7 0.2 A 96 ARG H H 1 7.57 0.02 A 96 ARG HA H 1 4.06 0.02 A 96 ARG HBx H 1 1.84 0.02 A 96 ARG HBy H 1 1.92 0.02 A 96 ARG HDx H 1 3.16 0.02 A 96 ARG HDy H 1 3.16 0.02 A 96 ARG HE H 1 7.22 0.02 A 96 ARG HGx H 1 1.68 0.02 A 96 ARG HGy H 1 1.87 0.02 A 96 ARG C C 13 178.3 0.2 A 96 ARG CA C 13 59.5 0.2 A 96 ARG CB C 13 29.8 0.2 A 96 ARG CD C 13 43.6 0.2 A 96 ARG CG C 13 27.2 0.2 A 96 ARG CZ C 13 159.6 0.2 A 96 ARG N N 15 123.2 0.2 A 96 ARG NE N 15 84.8 0.2 A 97 ALA H H 1 7.52 0.02 A 97 ALA HA H 1 4.13 0.02 A 97 ALA HB% H 1 1.40 0.02 A 97 ALA C C 13 179.5 0.2 A 97 ALA CA C 13 54.1 0.2 A 97 ALA CB C 13 18.2 0.2 A 97 ALA N N 15 119.7 0.2 A 98 LEU H H 1 7.37 0.02 A 98 LEU HA H 1 4.07 0.02 A 98 LEU HBx H 1 1.41 0.02 A 98 LEU HBy H 1 1.59 0.02 A 98 LEU HD1% H 1 0.35 0.02 A 98 LEU HD2% H 1 0.57 0.02 A 98 LEU HG H 1 1.43 0.02 A 98 LEU C C 13 178.8 0.2 A 98 LEU CA C 13 56.5 0.2 A 98 LEU CB C 13 41.7 0.2 A 98 LEU CD1 C 13 24.6 0.02 A 98 LEU CD2 C 13 23.0 0.02 A 98 LEU CG C 13 26.8 0.2 A 98 LEU N N 15 118.3 0.2 A 99 ALA H H 1 7.94 0.02 A 99 ALA HA H 1 4.25 0.02 A 99 ALA HB% H 1 1.49 0.02 A 99 ALA C C 13 179.1 0.2 A 99 ALA CA C 13 53.6 0.2 A 99 ALA CB C 13 18.6 0.2 A 99 ALA N N 15 122.1 0.2 A 100 ARG H H 1 7.84 0.02 A 100 ARG HA H 1 4.21 0.02 A 100 ARG HBx H 1 1.84 0.02 A 100 ARG HBy H 1 1.87 0.02 A 100 ARG HDx H 1 3.19 0.02 A 100 ARG HDy H 1 3.19 0.02 A 100 ARG HGx H 1 1.64 0.02 A 100 ARG HGy H 1 1.70 0.02 A 100 ARG C C 13 177.1 0.2 A 100 ARG CA C 13 57.1 0.2 A 100 ARG CB C 13 30.3 0.2 A 100 ARG CD C 13 43.4 0.2 A 100 ARG CG C 13 27.4 0.2 A 100 ARG N N 15 117.9 0.2 A 101 LEU H H 1 7.89 0.02 A 101 LEU HA H 1 4.24 0.02 A 101 LEU HBx H 1 1.57 0.02 A 101 LEU HBy H 1 1.74 0.02 A 101 LEU HD1% H 1 0.89 0.02 A 101 LEU HD2% H 1 0.84 0.02 A 101 LEU HG H 1 1.69 0.02 A 101 LEU C C 13 177.8 0.2 A 101 LEU CA C 13 55.7 0.2 A 101 LEU CB C 13 41.9 0.2 A 101 LEU CD1 C 13 25.0 0.02 A 101 LEU CD2 C 13 23.2 0.02 A 101 LEU CG C 13 26.8 0.2 A 101 LEU N N 15 120.8 0.2 A 102 GLU H H 1 8.04 0.02 A 102 GLU HA H 1 4.24 0.02 A 102 GLU HBx H 1 1.94 0.02 A 102 GLU HBy H 1 2.01 0.02 A 102 GLU HGx H 1 2.20 0.02 A 102 GLU HGy H 1 2.30 0.02 A 102 GLU C C 13 176.5 0.2 A 102 GLU CA C 13 56.6 0.2 A 102 GLU CB C 13 30.0 0.2 A 102 GLU CG C 13 36.0 0.2 A 102 GLU N N 15 120.1 0.2 A 103 HIS H H 1 8.20 0.02 A 103 HIS HA H 1 4.54 0.02 A 103 HIS HBx H 1 2.95 0.02 A 103 HIS HBy H 1 3.01 0.02 A 103 HIS HD2 H 1 7.02 0.02 A 103 HIS CA C 13 56.1 0.2 A 103 HIS CB C 13 29.9 0.2 A 103 HIS N N 15 119.2 0.2 A 107 HIS HA H 1 4.56 0.02 A 107 HIS HBx H 1 3.06 0.02 A 107 HIS HBy H 1 3.06 0.02 A 107 HIS C C 13 173.8 0.2 A 107 HIS CA C 13 55.8 0.2 A 107 HIS CB C 13 29.9 0.2 A 108 HIS H H 1 8.15 0.02 A 108 HIS HA H 1 4.38 0.02 A 108 HIS HBx H 1 3.06 0.02 A 108 HIS HBy H 1 3.14 0.02 A 108 HIS CA C 13 57.2 0.2 A 108 HIS CB C 13 29.9 0.2 A 108 HIS N N 15 125.3 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 THR HA A 5 THR HG2% 1.0 1.8 4.44 2 2 A 5 THR HA A 6 CYS H 1.0 1.8 3.71 3 3 A 6 CYS H A 5 THR HB 1.0 1.8 4.59 4 4 A 5 THR HG2% A 6 CYS H 1.0 1.8 4.14 5 5 A 6 CYS HA A 7 VAL H 1.0 1.8 3.60 6 6 A 7 VAL H A 6 CYS HBx 1.0 1.8 4.61 7 6 A 7 VAL H A 6 CYS HBy 1.0 1.8 4.61 8 7 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 4.50 9 8 A 7 VAL HA A 7 VAL HGy% 1.0 1.8 4.50 10 9 A 7 VAL HA A 8 GLU H 1.0 1.8 3.60 11 10 A 8 GLU H A 7 VAL HB 1.0 1.8 4.95 12 11 A 8 GLU H A 7 VAL HGx% 1.0 1.8 5.19 13 12 A 8 GLU H A 7 VAL HGy% 1.0 1.8 5.19 14 13 A 7 VAL H A 7 VAL HB 1.0 1.8 4.15 15 14 A 7 VAL H A 7 VAL HGx% 1.0 1.8 4.33 16 14 A 7 VAL H A 7 VAL HGy% 1.0 1.8 4.33 17 15 A 7 VAL H A 7 VAL HGx% 1.0 1.8 5.03 18 16 A 7 VAL H A 7 VAL HGy% 1.0 1.8 5.03 19 17 A 8 GLU HA A 9 ASN H 1.0 1.8 3.60 20 18 A 9 ASN H A 8 GLU HBx 1.0 1.8 3.81 21 18 A 9 ASN H A 8 GLU HBy 1.0 1.8 3.81 22 19 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.47 23 19 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.47 24 20 A 8 GLU H A 8 GLU HGx 1.0 1.8 5.14 25 20 A 8 GLU H A 8 GLU HGy 1.0 1.8 5.14 26 21 A 9 ASN HA A 10 GLU H 1.0 1.8 3.60 27 22 A 9 ASN H A 9 ASN HBx 1.0 1.8 3.84 28 22 A 9 ASN H A 9 ASN HBy 1.0 1.8 3.84 29 23 A 10 GLU HA A 11 VAL H 1.0 1.8 3.60 30 24 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.92 31 24 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.92 32 25 A 10 GLU H A 10 GLU HGx 1.0 1.8 4.94 33 25 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.94 34 26 A 11 VAL HA A 12 CYS H 1.0 1.8 3.60 35 27 A 12 CYS H A 11 VAL HB 1.0 1.8 4.66 36 28 A 12 CYS H A 11 VAL HGx% 1.0 1.8 5.30 37 29 A 12 CYS H A 11 VAL HGy% 1.0 1.8 5.30 38 30 A 11 VAL H A 11 VAL HB 1.0 1.8 4.08 39 31 A 12 CYS HA A 13 GLU H 1.0 1.8 3.64 40 32 A 13 GLU H A 12 CYS HBx 1.0 1.8 4.61 41 32 A 13 GLU H A 12 CYS HBy 1.0 1.8 4.61 42 33 A 13 GLU HA A 14 ALA H 1.0 1.8 3.84 43 34 A 14 ALA H A 13 GLU HBy 1.0 1.8 4.98 44 35 A 14 ALA H A 13 GLU HBx 1.0 1.8 4.98 45 36 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.71 46 36 A 13 GLU H A 13 GLU HBy 1.0 1.8 3.71 47 37 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.96 48 37 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.96 49 38 A 14 ALA HA A 15 CYS H 1.0 1.8 3.72 50 39 A 15 CYS H A 14 ALA HB% 1.0 1.8 4.38 51 40 A 15 CYS HA A 16 GLY H 1.0 1.8 3.88 52 41 A 15 CYS H A 16 GLY H 1.0 1.8 4.60 53 42 A 17 CYS H A 18 ALA H 1.0 1.8 5.40 54 43 A 18 ALA HA A 19 GLY H 1.0 1.8 3.63 55 44 A 19 GLY H A 18 ALA HB% 1.0 1.8 4.46 56 45 A 18 ALA H A 19 GLY H 1.0 1.8 4.68 57 46 A 20 GLU HA A 21 ILE H 1.0 1.8 3.53 58 47 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.51 59 47 A 20 GLU H A 20 GLU HBy 1.0 1.8 3.51 60 48 A 20 GLU H A 20 GLU HGx 1.0 1.8 5.04 61 48 A 20 GLU H A 20 GLU HGy 1.0 1.8 5.04 62 49 A 21 ILE HA A 22 GLY H 1.0 1.8 3.86 63 50 A 22 GLY H A 21 ILE HB 1.0 1.8 4.89 64 51 A 22 GLY H A 21 ILE HD1% 1.0 1.8 5.32 65 52 A 22 GLY H A 21 ILE HG2% 1.0 1.8 4.85 66 53 A 21 ILE H A 21 ILE HB 1.0 1.8 4.14 67 54 A 21 ILE H A 21 ILE HG1x 1.0 1.8 3.90 68 54 A 21 ILE H A 21 ILE HG1y 1.0 1.8 3.90 69 55 A 21 ILE H A 21 ILE HG2% 1.0 1.8 4.63 70 56 A 22 GLY H A 23 PHE H 1.0 1.8 4.42 71 57 A 23 PHE HA A 23 PHE HD% 1.0 1.8 4.29 72 58 A 23 PHE HE% A 67 ALA HB% 1.0 1.8 5.00 73 59 A 23 PHE H A 23 PHE HBx 1.0 1.8 3.72 74 59 A 23 PHE H A 23 PHE HBy 1.0 1.8 3.72 75 60 A 23 PHE H A 23 PHE HD% 1.0 1.8 4.50 76 61 A 24 ILE HA A 24 ILE HD1% 1.0 1.8 4.64 77 62 A 24 ILE HG2% A 24 ILE HG1x 1.0 1.8 3.30 78 62 A 24 ILE HG2% A 24 ILE HG1y 1.0 1.8 3.30 79 63 A 24 ILE HG2% A 25 ILE HA 1.0 1.8 5.10 80 64 A 24 ILE HG2% A 25 ILE H 1.0 1.8 5.00 81 65 A 25 ILE HA A 25 ILE HD1% 1.0 1.8 5.37 82 66 A 25 ILE HD1% A 64 TYR HA 1.0 1.8 4.64 83 67 A 25 ILE HD1% A 64 TYR H 1.0 1.8 4.92 84 68 A 25 ILE HD1% A 65 GLU HBx 1.0 1.8 3.99 85 68 A 25 ILE HD1% A 65 GLU HBy 1.0 1.8 3.99 86 69 A 25 ILE HD1% A 65 GLU H 1.0 1.8 5.25 87 70 A 25 ILE HD1% A 81 LYS HBy 1.0 1.8 4.65 88 70 A 25 ILE HD1% A 81 LYS HBx 1.0 1.8 4.65 89 71 A 25 ILE HG2% A 25 ILE HG1y 1.0 1.8 4.39 90 72 A 25 ILE HG2% A 25 ILE HG1x 1.0 1.8 4.39 91 73 A 25 ILE HG2% A 81 LYS HBy 1.0 1.8 5.00 92 74 A 81 LYS HBx A 25 ILE HG2% 1.0 1.8 5.00 93 75 A 25 ILE HG2% A 81 LYS HGx 1.0 1.8 4.86 94 75 A 25 ILE HG2% A 81 LYS HGy 1.0 1.8 4.86 95 76 A 25 ILE H A 25 ILE HD1% 1.0 1.8 5.16 96 77 A 25 ILE H A 25 ILE HG1y 1.0 1.8 4.89 97 77 A 25 ILE H A 25 ILE HG1x 1.0 1.8 4.89 98 78 A 26 ARG HA A 26 ARG HDy 1.0 1.8 5.10 99 78 A 26 ARG HA A 26 ARG HDx 1.0 1.8 5.10 100 79 A 26 ARG H A 26 ARG HDy 1.0 1.8 6.05 101 80 A 26 ARG HDx A 26 ARG H 1.0 1.8 6.05 102 81 A 27 GLU HA A 31 VAL HB 1.0 1.8 4.40 103 82 A 27 GLU HA A 31 VAL HG1% 1.0 1.8 5.35 104 83 A 27 GLU HA A 31 VAL HG2% 1.0 1.8 5.35 105 84 A 28 GLY H A 27 GLU HGx 1.0 1.8 4.60 106 84 A 27 GLU HGy A 28 GLY H 1.0 1.8 4.60 107 85 A 31 VAL HG1% A 28 GLY HAx 1.0 1.8 5.62 108 85 A 31 VAL HG1% A 28 GLY HAy 1.0 1.8 5.62 109 86 A 31 VAL HB A 28 GLY H 1.0 1.8 4.30 110 87 A 31 VAL HG1% A 28 GLY H 1.0 1.8 5.21 111 88 A 30 ASP H A 29 ASP HBx 1.0 1.8 4.13 112 88 A 29 ASP HBy A 30 ASP H 1.0 1.8 4.13 113 89 A 30 ASP H A 31 VAL H 1.0 1.8 4.08 114 90 A 31 VAL HG1% A 31 VAL HA 1.0 1.8 4.28 115 91 A 31 VAL HG2% A 31 VAL HA 1.0 1.8 3.86 116 92 A 31 VAL HA A 32 ALA H 1.0 1.8 3.77 117 93 A 31 VAL HA A 81 LYS HA 1.0 1.8 4.48 118 94 A 31 VAL HA A 82 PHE H 1.0 1.8 4.89 119 95 A 31 VAL HB A 32 ALA H 1.0 1.8 4.85 120 96 A 31 VAL HG1% A 32 ALA H 1.0 1.8 4.51 121 97 A 31 VAL HG1% A 33 GLU H 1.0 1.8 5.32 122 98 A 31 VAL HG1% A 79 ARG HGx 1.0 1.8 4.73 123 98 A 31 VAL HG1% A 79 ARG HGy 1.0 1.8 4.73 124 99 A 31 VAL HG1% A 80 PHE H 1.0 1.8 5.03 125 100 A 31 VAL HG1% A 81 LYS HA 1.0 1.8 5.35 126 101 A 31 VAL HG1% A 81 LYS HBy 1.0 1.8 5.87 127 101 A 81 LYS HBx A 31 VAL HG1% 1.0 1.8 5.87 128 102 A 31 VAL HG2% A 32 ALA H 1.0 1.8 4.84 129 103 A 31 VAL HG2% A 81 LYS HA 1.0 1.8 3.63 130 104 A 31 VAL HG2% A 81 LYS HBy 1.0 1.8 4.50 131 104 A 81 LYS HBx A 31 VAL HG2% 1.0 1.8 4.50 132 105 A 31 VAL HG2% A 81 LYS HDx 1.0 1.8 4.10 133 105 A 31 VAL HG2% A 81 LYS HDy 1.0 1.8 4.10 134 106 A 31 VAL HG2% A 81 LYS HEy 1.0 1.8 6.05 135 107 A 31 VAL HG2% A 81 LYS HEx 1.0 1.8 6.05 136 108 A 31 VAL HG2% A 81 LYS HGx 1.0 1.8 3.87 137 108 A 81 LYS HGy A 31 VAL HG2% 1.0 1.8 3.87 138 109 A 31 VAL HB A 31 VAL H 1.0 1.8 4.00 139 110 A 31 VAL HG1% A 31 VAL H 1.0 1.8 4.92 140 111 A 31 VAL HG2% A 31 VAL H 1.0 1.8 4.43 141 112 A 33 GLU H A 32 ALA HA 1.0 1.8 3.27 142 113 A 32 ALA HA A 88 LYS HEy 1.0 1.8 4.82 143 113 A 32 ALA HA A 88 LYS HEx 1.0 1.8 4.82 144 114 A 32 ALA HA A 88 LYS HEy 1.0 1.8 5.64 145 115 A 32 ALA HA A 88 LYS HEx 1.0 1.8 5.64 146 116 A 33 GLU H A 32 ALA HB% 1.0 1.8 3.93 147 117 A 32 ALA HB% A 80 PHE HBx 1.0 1.8 3.97 148 117 A 32 ALA HB% A 80 PHE HBy 1.0 1.8 3.97 149 118 A 80 PHE H A 32 ALA HB% 1.0 1.8 4.91 150 119 A 81 LYS HA A 32 ALA HB% 1.0 1.8 5.01 151 120 A 32 ALA HB% A 82 PHE HE% 1.0 1.8 3.94 152 121 A 32 ALA HB% A 88 LYS HEy 1.0 1.8 4.64 153 121 A 88 LYS HEx A 32 ALA HB% 1.0 1.8 4.64 154 122 A 32 ALA HB% A 88 LYS HEy 1.0 1.8 5.48 155 123 A 88 LYS HEx A 32 ALA HB% 1.0 1.8 5.48 156 124 A 32 ALA HB% A 88 LYS HGy 1.0 1.8 3.99 157 125 A 32 ALA HB% A 88 LYS HGx 1.0 1.8 3.99 158 126 A 32 ALA HB% A 88 LYS H 1.0 1.8 5.76 159 127 A 32 ALA H A 80 PHE H 1.0 1.8 4.88 160 128 A 32 ALA H A 81 LYS HA 1.0 1.8 4.79 161 129 A 32 ALA H A 81 LYS HBy 1.0 1.8 5.87 162 129 A 81 LYS HBx A 32 ALA H 1.0 1.8 5.87 163 130 A 32 ALA H A 82 PHE HD% 1.0 1.8 5.32 164 131 A 33 GLU HA A 34 VAL H 1.0 1.8 3.50 165 132 A 33 GLU HA A 79 ARG HA 1.0 1.8 5.00 166 133 A 80 PHE H A 33 GLU HA 1.0 1.8 5.00 167 134 A 34 VAL H A 33 GLU HGx 1.0 1.8 4.30 168 134 A 34 VAL H A 33 GLU HGy 1.0 1.8 4.30 169 135 A 33 GLU H A 33 GLU HBy 1.0 1.8 4.05 170 136 A 33 GLU H A 33 GLU HBx 1.0 1.8 4.05 171 137 A 33 GLU H A 33 GLU HGx 1.0 1.8 4.55 172 137 A 33 GLU H A 33 GLU HGy 1.0 1.8 4.55 173 138 A 33 GLU H A 88 LYS HEy 1.0 1.8 5.15 174 138 A 33 GLU H A 88 LYS HEx 1.0 1.8 5.15 175 139 A 33 GLU H A 88 LYS HEy 1.0 1.8 6.05 176 140 A 33 GLU H A 88 LYS HEx 1.0 1.8 6.05 177 141 A 33 GLU H A 88 LYS HGy 1.0 1.8 4.94 178 141 A 33 GLU H A 88 LYS HGx 1.0 1.8 4.94 179 142 A 34 VAL HA A 34 VAL HG1% 1.0 1.8 4.30 180 143 A 34 VAL HA A 34 VAL HG2% 1.0 1.8 4.30 181 144 A 34 VAL HA A 35 SER HBy 1.0 1.8 6.05 182 145 A 34 VAL HA A 35 SER HBx 1.0 1.8 6.05 183 146 A 34 VAL HA A 35 SER H 1.0 1.8 3.73 184 147 A 34 VAL HA A 51 TYR HD% 1.0 1.8 5.68 185 148 A 35 SER H A 34 VAL HB 1.0 1.8 5.01 186 149 A 34 VAL HB A 78 ALA HB% 1.0 1.8 4.11 187 150 A 34 VAL HB A 80 PHE HE% 1.0 1.8 4.66 188 151 A 35 SER H A 34 VAL HG1% 1.0 1.8 4.46 189 151 A 35 SER H A 34 VAL HG2% 1.0 1.8 4.46 190 152 A 51 TYR HD% A 34 VAL HG1% 1.0 1.8 3.92 191 152 A 51 TYR HD% A 34 VAL HG2% 1.0 1.8 3.92 192 153 A 51 TYR HE% A 34 VAL HG1% 1.0 1.8 4.51 193 153 A 34 VAL HG2% A 51 TYR HE% 1.0 1.8 4.51 194 154 A 78 ALA HB% A 34 VAL HG1% 1.0 1.8 3.84 195 154 A 78 ALA HB% A 34 VAL HG2% 1.0 1.8 3.84 196 155 A 80 PHE HD% A 34 VAL HG1% 1.0 1.8 4.06 197 155 A 34 VAL HG2% A 80 PHE HD% 1.0 1.8 4.06 198 156 A 80 PHE HE% A 34 VAL HG1% 1.0 1.8 3.99 199 156 A 80 PHE HE% A 34 VAL HG2% 1.0 1.8 3.99 200 157 A 51 TYR HD% A 34 VAL HG1% 1.0 1.8 4.64 201 158 A 80 PHE HD% A 34 VAL HG1% 1.0 1.8 4.95 202 159 A 80 PHE HE% A 34 VAL HG1% 1.0 1.8 4.98 203 160 A 51 TYR HD% A 34 VAL HG2% 1.0 1.8 4.64 204 161 A 34 VAL HG2% A 80 PHE HD% 1.0 1.8 4.95 205 162 A 80 PHE HE% A 34 VAL HG2% 1.0 1.8 4.98 206 163 A 34 VAL H A 34 VAL HB 1.0 1.8 3.96 207 164 A 34 VAL H A 34 VAL HG1% 1.0 1.8 3.84 208 164 A 34 VAL H A 34 VAL HG2% 1.0 1.8 3.84 209 165 A 34 VAL H A 34 VAL HG1% 1.0 1.8 4.77 210 166 A 34 VAL H A 34 VAL HG2% 1.0 1.8 4.77 211 167 A 34 VAL H A 78 ALA H 1.0 1.8 5.00 212 168 A 34 VAL H A 79 ARG HA 1.0 1.8 4.44 213 169 A 35 SER HA A 36 LEU H 1.0 1.8 3.81 214 170 A 35 SER HA A 77 HIS HA 1.0 1.8 4.39 215 171 A 78 ALA H A 35 SER HA 1.0 1.8 5.00 216 172 A 36 LEU H A 35 SER HBx 1.0 1.8 4.59 217 172 A 36 LEU H A 35 SER HBy 1.0 1.8 4.59 218 173 A 36 LEU HA A 36 LEU HD1% 1.0 1.8 4.16 219 174 A 36 LEU HD2% A 36 LEU HBx 1.0 1.8 3.60 220 174 A 36 LEU HBy A 36 LEU HD2% 1.0 1.8 3.60 221 175 A 76 LEU H A 36 LEU HBx 1.0 1.8 4.69 222 175 A 36 LEU HBy A 76 LEU H 1.0 1.8 4.69 223 176 A 36 LEU HD1% A 37 PHE H 1.0 1.8 4.85 224 177 A 36 LEU HD1% A 47 LYS HBx 1.0 1.8 4.61 225 177 A 36 LEU HD1% A 47 LYS HBy 1.0 1.8 4.61 226 178 A 36 LEU HD1% A 47 LYS HGx 1.0 1.8 5.39 227 178 A 36 LEU HD1% A 47 LYS HGy 1.0 1.8 5.39 228 179 A 36 LEU HD1% A 48 LEU H 1.0 1.8 5.94 229 180 A 51 TYR HD% A 36 LEU HD1% 1.0 1.8 5.25 230 181 A 51 TYR HE% A 36 LEU HD1% 1.0 1.8 4.18 231 182 A 36 LEU HD2% A 44 LEU HA 1.0 1.8 5.00 232 183 A 36 LEU HD2% A 47 LYS HBx 1.0 1.8 3.94 233 183 A 36 LEU HD2% A 47 LYS HBy 1.0 1.8 3.94 234 184 A 36 LEU HD2% A 47 LYS HGx 1.0 1.8 5.01 235 184 A 36 LEU HD2% A 47 LYS HGy 1.0 1.8 5.01 236 185 A 36 LEU HD2% A 47 LYS H 1.0 1.8 5.18 237 186 A 36 LEU HD2% A 48 LEU HA 1.0 1.8 5.00 238 187 A 36 LEU HD2% A 48 LEU HBy 1.0 1.8 4.68 239 187 A 36 LEU HD2% A 48 LEU HBx 1.0 1.8 4.68 240 188 A 36 LEU HD2% A 48 LEU H 1.0 1.8 4.37 241 189 A 37 PHE H A 36 LEU HG 1.0 1.8 4.96 242 190 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.90 243 190 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.90 244 191 A 36 LEU H A 36 LEU HD1% 1.0 1.8 5.19 245 192 A 36 LEU H A 36 LEU HD2% 1.0 1.8 5.74 246 193 A 36 LEU H A 76 LEU HD2% 1.0 1.8 5.03 247 194 A 36 LEU H A 76 LEU H 1.0 1.8 4.16 248 195 A 36 LEU H A 77 HIS HA 1.0 1.8 5.41 249 196 A 37 PHE HA A 37 PHE HD% 1.0 1.8 4.80 250 197 A 37 PHE HA A 38 GLY H 1.0 1.8 3.83 251 198 A 37 PHE HA A 44 LEU HD2% 1.0 1.8 4.80 252 199 A 37 PHE HA A 75 GLU HA 1.0 1.8 4.00 253 200 A 37 PHE HA A 75 GLU HBx 1.0 1.8 5.07 254 200 A 37 PHE HA A 75 GLU HBy 1.0 1.8 5.07 255 201 A 76 LEU H A 37 PHE HA 1.0 1.8 4.27 256 202 A 38 GLY H A 37 PHE HBx 1.0 1.8 4.28 257 202 A 38 GLY H A 37 PHE HBy 1.0 1.8 4.28 258 203 A 37 PHE HD% A 75 GLU HBx 1.0 1.8 4.42 259 203 A 37 PHE HD% A 75 GLU HBy 1.0 1.8 4.42 260 204 A 44 LEU HD2% A 38 GLY HAy 1.0 1.8 5.16 261 205 A 44 LEU HD2% A 38 GLY HAx 1.0 1.8 5.16 262 206 A 38 GLY H A 44 LEU HD1% 1.0 1.8 5.29 263 207 A 38 GLY H A 44 LEU HD2% 1.0 1.8 4.17 264 208 A 38 GLY H A 74 THR HB 1.0 1.8 4.73 265 209 A 38 GLY H A 75 GLU HA 1.0 1.8 5.08 266 210 A 39 SER HBy A 40 ASP H 1.0 1.8 5.74 267 211 A 40 ASP H A 39 SER HBx 1.0 1.8 5.74 268 212 A 40 ASP HA A 41 LYS H 1.0 1.8 3.84 269 213 A 41 LYS H A 40 ASP HBx 1.0 1.8 4.31 270 213 A 41 LYS H A 40 ASP HBy 1.0 1.8 4.31 271 214 A 42 ALA H A 40 ASP HBx 1.0 1.8 4.58 272 214 A 40 ASP HBy A 42 ALA H 1.0 1.8 4.58 273 215 A 40 ASP H A 43 HIS HBy 1.0 1.8 4.59 274 216 A 40 ASP H A 43 HIS HBx 1.0 1.8 4.59 275 217 A 41 LYS HA A 41 LYS HDx 1.0 1.8 5.03 276 217 A 41 LYS HA A 41 LYS HDy 1.0 1.8 5.03 277 218 A 41 LYS HA A 44 LEU HBy 1.0 1.8 4.83 278 218 A 41 LYS HA A 44 LEU HBx 1.0 1.8 4.83 279 219 A 44 LEU HD1% A 41 LYS HA 1.0 1.8 4.03 280 220 A 41 LYS HA A 69 VAL HG1% 1.0 1.8 5.76 281 221 A 41 LYS HA A 69 VAL HG2% 1.0 1.8 6.05 282 222 A 41 LYS HBy A 41 LYS HEy 1.0 1.8 5.09 283 222 A 41 LYS HBx A 41 LYS HEy 1.0 1.8 5.09 284 222 A 41 LYS HEx A 41 LYS HBy 1.0 1.8 5.09 285 222 A 41 LYS HBx A 41 LYS HEx 1.0 1.8 5.09 286 223 A 42 ALA H A 41 LYS HBy 1.0 1.8 3.87 287 223 A 42 ALA H A 41 LYS HBx 1.0 1.8 3.87 288 224 A 71 ASP HA A 41 LYS HBy 1.0 1.8 4.42 289 225 A 41 LYS HBx A 71 ASP HA 1.0 1.8 4.42 290 226 A 69 VAL HG1% A 41 LYS HDx 1.0 1.8 5.03 291 226 A 41 LYS HDy A 69 VAL HG1% 1.0 1.8 5.03 292 227 A 71 ASP HA A 41 LYS HDx 1.0 1.8 4.58 293 227 A 41 LYS HDy A 71 ASP HA 1.0 1.8 4.58 294 228 A 69 VAL HB A 41 LYS HEy 1.0 1.8 4.38 295 228 A 41 LYS HEx A 69 VAL HB 1.0 1.8 4.38 296 229 A 69 VAL HG1% A 41 LYS HEy 1.0 1.8 3.67 297 229 A 69 VAL HG1% A 41 LYS HEx 1.0 1.8 3.67 298 230 A 69 VAL HB A 41 LYS HEy 1.0 1.8 5.21 299 231 A 69 VAL HG1% A 41 LYS HEy 1.0 1.8 4.33 300 232 A 69 VAL HG2% A 41 LYS HEy 1.0 1.8 6.05 301 233 A 69 VAL H A 41 LYS HEy 1.0 1.8 6.05 302 234 A 41 LYS HEx A 69 VAL HB 1.0 1.8 5.21 303 235 A 69 VAL HG1% A 41 LYS HEx 1.0 1.8 4.33 304 236 A 69 VAL HG2% A 41 LYS HEx 1.0 1.8 6.05 305 237 A 41 LYS HEx A 69 VAL H 1.0 1.8 6.05 306 238 A 41 LYS HEx A 41 LYS HGx 1.0 1.8 3.56 307 238 A 41 LYS HEy A 41 LYS HGx 1.0 1.8 3.56 308 238 A 41 LYS HGy A 41 LYS HEy 1.0 1.8 3.56 309 238 A 41 LYS HEx A 41 LYS HGy 1.0 1.8 3.56 310 239 A 42 ALA HA A 45 GLU HBx 1.0 1.8 4.25 311 239 A 42 ALA HA A 45 GLU HBy 1.0 1.8 4.25 312 240 A 42 ALA HA A 45 GLU H 1.0 1.8 4.62 313 241 A 42 ALA HB% A 43 HIS H 1.0 1.8 4.48 314 242 A 45 GLU H A 42 ALA HB% 1.0 1.8 6.05 315 243 A 42 ALA H A 42 ALA HB% 1.0 1.8 3.23 316 244 A 43 HIS HA A 46 GLY H 1.0 1.8 4.70 317 245 A 43 HIS HBy A 44 LEU H 1.0 1.8 4.84 318 246 A 43 HIS HBx A 44 LEU H 1.0 1.8 4.84 319 247 A 44 LEU HA A 44 LEU HD2% 1.0 1.8 3.67 320 248 A 44 LEU HA A 47 LYS H 1.0 1.8 4.46 321 249 A 44 LEU HD2% A 44 LEU HBy 1.0 1.8 3.43 322 249 A 44 LEU HD2% A 44 LEU HBx 1.0 1.8 3.43 323 250 A 45 GLU H A 44 LEU HBy 1.0 1.8 3.86 324 250 A 44 LEU HBx A 45 GLU H 1.0 1.8 3.86 325 251 A 44 LEU HBx A 76 LEU HBy 1.0 1.8 4.95 326 251 A 44 LEU HBy A 76 LEU HBy 1.0 1.8 4.95 327 251 A 76 LEU HBx A 44 LEU HBy 1.0 1.8 4.95 328 251 A 44 LEU HBx A 76 LEU HBx 1.0 1.8 4.95 329 252 A 76 LEU HD1% A 44 LEU HBy 1.0 1.8 3.48 330 252 A 44 LEU HBx A 76 LEU HD1% 1.0 1.8 3.48 331 253 A 44 LEU HD1% A 44 LEU HBy 1.0 1.8 4.09 332 254 A 44 LEU HD1% A 44 LEU HBx 1.0 1.8 4.09 333 255 A 44 LEU HD1% A 45 GLU H 1.0 1.8 4.85 334 256 A 44 LEU HD1% A 69 VAL HG1% 1.0 1.8 4.18 335 257 A 44 LEU HD1% A 69 VAL HG2% 1.0 1.8 4.76 336 258 A 44 LEU HD1% A 73 ALA HB% 1.0 1.8 4.37 337 259 A 44 LEU HD1% A 74 THR HA 1.0 1.8 4.52 338 260 A 75 GLU HA A 44 LEU HD1% 1.0 1.8 5.12 339 261 A 44 LEU HD1% A 75 GLU H 1.0 1.8 4.35 340 262 A 44 LEU HD1% A 76 LEU HBy 1.0 1.8 4.48 341 263 A 44 LEU HD1% A 76 LEU HBx 1.0 1.8 4.48 342 264 A 44 LEU HD2% A 45 GLU H 1.0 1.8 5.18 343 265 A 44 LEU HD2% A 74 THR HA 1.0 1.8 5.54 344 266 A 44 LEU HD2% A 75 GLU HA 1.0 1.8 4.42 345 267 A 76 LEU H A 44 LEU HD2% 1.0 1.8 4.73 346 268 A 44 LEU HD1% A 44 LEU H 1.0 1.8 4.93 347 269 A 44 LEU HD2% A 44 LEU H 1.0 1.8 5.03 348 270 A 44 LEU H A 44 LEU HG 1.0 1.8 4.51 349 271 A 45 GLU H A 44 LEU H 1.0 1.8 4.25 350 272 A 45 GLU HA A 45 GLU HGy 1.0 1.8 3.53 351 272 A 45 GLU HA A 45 GLU HGx 1.0 1.8 3.53 352 273 A 45 GLU HA A 48 LEU HBy 1.0 1.8 3.81 353 273 A 48 LEU HBx A 45 GLU HA 1.0 1.8 3.81 354 274 A 48 LEU H A 45 GLU HA 1.0 1.8 4.53 355 275 A 46 GLY H A 45 GLU HBx 1.0 1.8 3.88 356 275 A 45 GLU HBy A 46 GLY H 1.0 1.8 3.88 357 276 A 76 LEU HD1% A 45 GLU HGy 1.0 1.8 5.03 358 276 A 76 LEU HD1% A 45 GLU HGx 1.0 1.8 5.03 359 277 A 45 GLU H A 45 GLU HBx 1.0 1.8 3.56 360 277 A 45 GLU HBy A 45 GLU H 1.0 1.8 3.56 361 278 A 45 GLU H A 45 GLU HGy 1.0 1.8 3.89 362 279 A 45 GLU H A 45 GLU HGx 1.0 1.8 3.89 363 280 A 45 GLU H A 46 GLY H 1.0 1.8 3.88 364 281 A 45 GLU H A 48 LEU HBy 1.0 1.8 5.87 365 281 A 48 LEU HBx A 45 GLU H 1.0 1.8 5.87 366 282 A 45 GLU H A 76 LEU HD1% 1.0 1.8 5.04 367 283 A 76 LEU HD2% A 45 GLU H 1.0 1.8 6.00 368 284 A 49 ALA H A 46 GLY HAx 1.0 1.8 5.00 369 284 A 46 GLY HAy A 49 ALA H 1.0 1.8 5.00 370 285 A 47 LYS H A 46 GLY H 1.0 1.8 3.85 371 286 A 47 LYS HA A 50 GLU HGx 1.0 1.8 4.93 372 286 A 47 LYS HA A 50 GLU HGy 1.0 1.8 4.93 373 287 A 47 LYS HA A 50 GLU H 1.0 1.8 4.75 374 288 A 47 LYS H A 47 LYS HBx 1.0 1.8 3.38 375 288 A 47 LYS HBy A 47 LYS H 1.0 1.8 3.38 376 289 A 47 LYS H A 47 LYS HGx 1.0 1.8 4.00 377 289 A 47 LYS HGy A 47 LYS H 1.0 1.8 4.00 378 290 A 47 LYS H A 48 LEU HBy 1.0 1.8 5.35 379 290 A 47 LYS H A 48 LEU HBx 1.0 1.8 5.35 380 291 A 48 LEU H A 47 LYS H 1.0 1.8 3.81 381 292 A 48 LEU HA A 48 LEU HD1% 1.0 1.8 3.59 382 293 A 51 TYR HD% A 48 LEU HA 1.0 1.8 4.37 383 294 A 48 LEU HA A 51 TYR H 1.0 1.8 5.00 384 295 A 48 LEU HA A 52 ILE H 1.0 1.8 4.64 385 296 A 48 LEU HD1% A 48 LEU HBy 1.0 1.8 3.56 386 296 A 48 LEU HBx A 48 LEU HD1% 1.0 1.8 3.56 387 297 A 49 ALA H A 48 LEU HBy 1.0 1.8 3.69 388 297 A 48 LEU HBx A 49 ALA H 1.0 1.8 3.69 389 298 A 76 LEU HD2% A 48 LEU HBy 1.0 1.8 5.37 390 298 A 48 LEU HBx A 76 LEU HD2% 1.0 1.8 5.37 391 299 A 48 LEU HD2% A 48 LEU HBy 1.0 1.8 4.07 392 300 A 48 LEU HBx A 48 LEU HD2% 1.0 1.8 4.07 393 301 A 49 ALA H A 48 LEU HD1% 1.0 1.8 5.64 394 302 A 48 LEU HD1% A 51 TYR HBx 1.0 1.8 4.16 395 302 A 48 LEU HD1% A 51 TYR HBy 1.0 1.8 4.16 396 303 A 51 TYR HD% A 48 LEU HD1% 1.0 1.8 5.22 397 304 A 48 LEU HD1% A 52 ILE H 1.0 1.8 5.13 398 305 A 78 ALA HB% A 48 LEU HD1% 1.0 1.8 3.45 399 306 A 80 PHE HE% A 48 LEU HD1% 1.0 1.8 5.07 400 307 A 48 LEU HD1% A 80 PHE HZ 1.0 1.8 4.40 401 308 A 48 LEU HD2% A 52 ILE HD1% 1.0 1.8 3.79 402 309 A 48 LEU HD2% A 52 ILE HG1x 1.0 1.8 4.10 403 309 A 48 LEU HD2% A 52 ILE HG1y 1.0 1.8 4.10 404 310 A 48 LEU H A 48 LEU HBy 1.0 1.8 3.42 405 310 A 48 LEU H A 48 LEU HBx 1.0 1.8 3.42 406 311 A 48 LEU H A 48 LEU HD1% 1.0 1.8 4.58 407 312 A 48 LEU H A 48 LEU HD2% 1.0 1.8 5.04 408 313 A 48 LEU H A 49 ALA HB% 1.0 1.8 4.75 409 314 A 48 LEU H A 49 ALA H 1.0 1.8 4.02 410 315 A 49 ALA HA A 52 ILE HB 1.0 1.8 4.15 411 316 A 52 ILE HD1% A 49 ALA HA 1.0 1.8 4.30 412 317 A 52 ILE H A 49 ALA HA 1.0 1.8 4.89 413 318 A 49 ALA HB% A 50 GLU HGx 1.0 1.8 4.99 414 318 A 50 GLU HGy A 49 ALA HB% 1.0 1.8 4.99 415 319 A 50 GLU H A 49 ALA HB% 1.0 1.8 3.74 416 320 A 49 ALA H A 49 ALA HB% 1.0 1.8 3.18 417 321 A 49 ALA H A 50 GLU H 1.0 1.8 3.79 418 322 A 49 ALA H A 52 ILE HD1% 1.0 1.8 5.90 419 323 A 51 TYR HD% A 50 GLU HBx 1.0 1.8 4.64 420 323 A 51 TYR HD% A 50 GLU HBy 1.0 1.8 4.64 421 324 A 51 TYR H A 50 GLU HBx 1.0 1.8 3.99 422 324 A 51 TYR H A 50 GLU HBy 1.0 1.8 3.99 423 325 A 98 LEU HD1% A 50 GLU HBx 1.0 1.8 4.87 424 325 A 50 GLU HBy A 98 LEU HD1% 1.0 1.8 4.87 425 326 A 98 LEU HD2% A 50 GLU HBx 1.0 1.8 4.99 426 326 A 50 GLU HBy A 98 LEU HD2% 1.0 1.8 4.99 427 327 A 51 TYR HD% A 50 GLU HGx 1.0 1.8 5.48 428 327 A 51 TYR HD% A 50 GLU HGy 1.0 1.8 5.48 429 328 A 51 TYR H A 50 GLU HGx 1.0 1.8 4.99 430 328 A 50 GLU HGy A 51 TYR H 1.0 1.8 4.99 431 329 A 98 LEU HD1% A 50 GLU HGx 1.0 1.8 5.16 432 329 A 50 GLU HGy A 98 LEU HD1% 1.0 1.8 5.16 433 330 A 98 LEU HD2% A 50 GLU HGx 1.0 1.8 4.96 434 330 A 50 GLU HGy A 98 LEU HD2% 1.0 1.8 4.96 435 331 A 50 GLU H A 50 GLU HBx 1.0 1.8 3.41 436 331 A 50 GLU H A 50 GLU HBy 1.0 1.8 3.41 437 332 A 50 GLU H A 50 GLU HGx 1.0 1.8 3.62 438 332 A 50 GLU HGy A 50 GLU H 1.0 1.8 3.62 439 333 A 50 GLU H A 51 TYR H 1.0 1.8 3.81 440 334 A 50 GLU H A 98 LEU HD1% 1.0 1.8 6.05 441 335 A 51 TYR HD% A 51 TYR HA 1.0 1.8 5.01 442 336 A 51 TYR HA A 54 LEU HBy 1.0 1.8 6.05 443 337 A 51 TYR HA A 54 LEU HBx 1.0 1.8 6.05 444 338 A 98 LEU HD1% A 51 TYR HA 1.0 1.8 5.81 445 339 A 52 ILE H A 51 TYR HBx 1.0 1.8 4.18 446 339 A 52 ILE H A 51 TYR HBy 1.0 1.8 4.18 447 340 A 91 PHE HZ A 51 TYR HBx 1.0 1.8 4.92 448 340 A 51 TYR HBy A 91 PHE HZ 1.0 1.8 4.92 449 341 A 51 TYR HD% A 95 THR HG2% 1.0 1.8 4.54 450 342 A 51 TYR HD% A 98 LEU HD1% 1.0 1.8 5.60 451 343 A 51 TYR HE% A 95 THR HB 1.0 1.8 4.79 452 344 A 51 TYR HE% A 95 THR HG2% 1.0 1.8 5.19 453 345 A 51 TYR HE% A 98 LEU HD1% 1.0 1.8 5.51 454 346 A 51 TYR H A 51 TYR HBx 1.0 1.8 3.60 455 346 A 51 TYR H A 51 TYR HBy 1.0 1.8 3.60 456 347 A 51 TYR HD% A 51 TYR H 1.0 1.8 4.02 457 348 A 51 TYR H A 52 ILE HB 1.0 1.8 6.05 458 349 A 51 TYR H A 52 ILE H 1.0 1.8 3.97 459 350 A 52 ILE HA A 52 ILE HG1x 1.0 1.8 3.90 460 350 A 52 ILE HG1y A 52 ILE HA 1.0 1.8 3.90 461 351 A 52 ILE HA A 55 ALA HB% 1.0 1.8 4.22 462 352 A 52 ILE HA A 55 ALA H 1.0 1.8 4.81 463 353 A 80 PHE HE% A 52 ILE HA 1.0 1.8 4.30 464 354 A 52 ILE HB A 53 SER HBx 1.0 1.8 5.87 465 354 A 52 ILE HB A 53 SER HBy 1.0 1.8 5.87 466 355 A 52 ILE HB A 53 SER H 1.0 1.8 3.67 467 356 A 52 ILE HD1% A 53 SER H 1.0 1.8 6.05 468 357 A 52 ILE HD1% A 64 TYR HE% 1.0 1.8 4.23 469 358 A 80 PHE HE% A 52 ILE HD1% 1.0 1.8 5.64 470 359 A 80 PHE HZ A 52 ILE HG1x 1.0 1.8 4.98 471 359 A 80 PHE HZ A 52 ILE HG1y 1.0 1.8 4.98 472 360 A 52 ILE HG2% A 53 SER HA 1.0 1.8 5.21 473 361 A 53 SER H A 52 ILE HG2% 1.0 1.8 4.10 474 362 A 52 ILE HG2% A 56 LYS HDx 1.0 1.8 4.57 475 362 A 52 ILE HG2% A 56 LYS HDy 1.0 1.8 4.57 476 363 A 64 TYR HE% A 52 ILE HG2% 1.0 1.8 4.65 477 364 A 80 PHE HZ A 52 ILE HG2% 1.0 1.8 5.25 478 365 A 52 ILE H A 52 ILE HB 1.0 1.8 3.84 479 366 A 52 ILE H A 52 ILE HD1% 1.0 1.8 4.59 480 367 A 52 ILE H A 52 ILE HG1x 1.0 1.8 3.81 481 367 A 52 ILE H A 52 ILE HG1y 1.0 1.8 3.81 482 368 A 52 ILE H A 52 ILE HG2% 1.0 1.8 4.61 483 369 A 52 ILE H A 53 SER H 1.0 1.8 3.82 484 370 A 53 SER HA A 56 LYS HBx 1.0 1.8 4.55 485 370 A 53 SER HA A 56 LYS HBy 1.0 1.8 4.55 486 371 A 53 SER HA A 56 LYS HDx 1.0 1.8 4.63 487 371 A 53 SER HA A 56 LYS HDy 1.0 1.8 4.63 488 372 A 53 SER HA A 56 LYS H 1.0 1.8 4.69 489 373 A 54 LEU H A 53 SER HBx 1.0 1.8 3.88 490 373 A 53 SER HBy A 54 LEU H 1.0 1.8 3.88 491 374 A 53 SER H A 53 SER HBx 1.0 1.8 3.27 492 374 A 53 SER HBy A 53 SER H 1.0 1.8 3.27 493 375 A 53 SER H A 54 LEU H 1.0 1.8 3.83 494 376 A 54 LEU HA A 54 LEU HD1% 1.0 1.8 3.90 495 377 A 54 LEU HA A 54 LEU HD2% 1.0 1.8 4.33 496 378 A 54 LEU HA A 57 GLN HBx 1.0 1.8 4.18 497 378 A 54 LEU HA A 57 GLN HBy 1.0 1.8 4.18 498 379 A 54 LEU HA A 57 GLN H 1.0 1.8 4.60 499 380 A 54 LEU HBx A 54 LEU HD1% 1.0 1.8 4.14 500 380 A 54 LEU HD1% A 54 LEU HBy 1.0 1.8 4.14 501 381 A 54 LEU HBy A 54 LEU HD2% 1.0 1.8 4.15 502 381 A 54 LEU HBx A 54 LEU HD2% 1.0 1.8 4.15 503 382 A 58 VAL HG2% A 54 LEU HBy 1.0 1.8 4.46 504 382 A 54 LEU HBx A 58 VAL HG2% 1.0 1.8 4.46 505 383 A 91 PHE HA A 54 LEU HBy 1.0 1.8 6.05 506 383 A 54 LEU HBx A 91 PHE HA 1.0 1.8 6.05 507 384 A 91 PHE HD% A 54 LEU HBy 1.0 1.8 5.53 508 384 A 54 LEU HBx A 91 PHE HD% 1.0 1.8 5.53 509 385 A 55 ALA H A 54 LEU HBy 1.0 1.8 4.25 510 386 A 91 PHE HE% A 54 LEU HBy 1.0 1.8 5.25 511 387 A 95 THR HG2% A 54 LEU HBy 1.0 1.8 5.14 512 388 A 55 ALA H A 54 LEU HBx 1.0 1.8 4.25 513 389 A 54 LEU HBx A 91 PHE HE% 1.0 1.8 5.25 514 390 A 95 THR HG2% A 54 LEU HBx 1.0 1.8 5.14 515 391 A 54 LEU HD2% A 57 GLN HBx 1.0 1.8 5.28 516 391 A 54 LEU HD1% A 57 GLN HBx 1.0 1.8 5.28 517 391 A 57 GLN HBy A 54 LEU HD2% 1.0 1.8 5.28 518 391 A 57 GLN HBy A 54 LEU HD1% 1.0 1.8 5.28 519 392 A 54 LEU HD1% A 57 GLN HGx 1.0 1.8 5.87 520 392 A 57 GLN HGy A 54 LEU HD2% 1.0 1.8 5.87 521 392 A 54 LEU HD1% A 57 GLN HGy 1.0 1.8 5.87 522 392 A 54 LEU HD2% A 57 GLN HGx 1.0 1.8 5.87 523 393 A 91 PHE HD% A 54 LEU HD2% 1.0 1.8 6.05 524 393 A 91 PHE HD% A 54 LEU HD1% 1.0 1.8 6.05 525 394 A 91 PHE HE% A 54 LEU HD2% 1.0 1.8 6.05 526 394 A 91 PHE HE% A 54 LEU HD1% 1.0 1.8 6.05 527 395 A 54 LEU HD1% A 94 LYS HDy 1.0 1.8 4.22 528 395 A 54 LEU HD2% A 94 LYS HDy 1.0 1.8 4.22 529 395 A 94 LYS HDx A 54 LEU HD2% 1.0 1.8 4.22 530 395 A 54 LEU HD1% A 94 LYS HDx 1.0 1.8 4.22 531 396 A 54 LEU HD1% A 94 LYS HGy 1.0 1.8 4.66 532 396 A 54 LEU HD2% A 94 LYS HGy 1.0 1.8 4.66 533 396 A 94 LYS HGx A 54 LEU HD2% 1.0 1.8 4.66 534 396 A 54 LEU HD1% A 94 LYS HGx 1.0 1.8 4.66 535 397 A 95 THR HA A 54 LEU HD2% 1.0 1.8 6.05 536 397 A 54 LEU HD1% A 95 THR HA 1.0 1.8 6.05 537 398 A 55 ALA H A 54 LEU HD2% 1.0 1.8 4.71 538 399 A 95 THR HG2% A 54 LEU HG 1.0 1.8 4.84 539 400 A 54 LEU H A 54 LEU HBy 1.0 1.8 3.93 540 401 A 54 LEU H A 54 LEU HBx 1.0 1.8 3.93 541 402 A 54 LEU H A 54 LEU HD2% 1.0 1.8 4.37 542 403 A 54 LEU H A 54 LEU HG 1.0 1.8 4.43 543 404 A 55 ALA HB% A 54 LEU H 1.0 1.8 5.72 544 405 A 55 ALA H A 54 LEU H 1.0 1.8 3.78 545 406 A 55 ALA HA A 58 VAL HB 1.0 1.8 4.70 546 407 A 55 ALA HA A 58 VAL H 1.0 1.8 4.86 547 408 A 55 ALA HA A 59 TYR H 1.0 1.8 5.24 548 409 A 55 ALA HA A 62 VAL HG2% 1.0 1.8 7.02 549 410 A 82 PHE HE% A 55 ALA HA 1.0 1.8 4.98 550 411 A 55 ALA HA A 82 PHE HZ 1.0 1.8 4.64 551 412 A 91 PHE HD% A 55 ALA HA 1.0 1.8 4.20 552 413 A 91 PHE HE% A 55 ALA HA 1.0 1.8 5.15 553 414 A 55 ALA HB% A 56 LYS H 1.0 1.8 3.84 554 415 A 55 ALA HB% A 62 VAL HG1% 1.0 1.8 3.50 555 416 A 55 ALA HB% A 62 VAL HG2% 1.0 1.8 3.87 556 417 A 55 ALA HB% A 80 PHE HBx 1.0 1.8 4.93 557 417 A 80 PHE HBy A 55 ALA HB% 1.0 1.8 4.93 558 418 A 80 PHE HD% A 55 ALA HB% 1.0 1.8 4.27 559 419 A 80 PHE HE% A 55 ALA HB% 1.0 1.8 4.46 560 420 A 55 ALA HB% A 82 PHE HZ 1.0 1.8 4.88 561 421 A 55 ALA HB% A 91 PHE HBx 1.0 1.8 5.49 562 421 A 55 ALA HB% A 91 PHE HBy 1.0 1.8 5.49 563 422 A 55 ALA HB% A 91 PHE HD% 1.0 1.8 4.79 564 423 A 55 ALA HB% A 91 PHE HE% 1.0 1.8 4.36 565 424 A 55 ALA HB% A 55 ALA H 1.0 1.8 3.48 566 425 A 55 ALA H A 56 LYS H 1.0 1.8 4.07 567 426 A 55 ALA H A 91 PHE HD% 1.0 1.8 4.85 568 427 A 55 ALA H A 91 PHE HE% 1.0 1.8 4.31 569 428 A 56 LYS HA A 56 LYS HDx 1.0 1.8 5.07 570 428 A 56 LYS HDy A 56 LYS HA 1.0 1.8 5.07 571 429 A 56 LYS HA A 56 LYS HEx 1.0 1.8 4.94 572 429 A 56 LYS HA A 56 LYS HEy 1.0 1.8 4.94 573 430 A 56 LYS HA A 56 LYS HGy 1.0 1.8 3.86 574 430 A 56 LYS HA A 56 LYS HGx 1.0 1.8 3.86 575 431 A 59 TYR H A 56 LYS HA 1.0 1.8 4.37 576 432 A 62 VAL HG1% A 56 LYS HA 1.0 1.8 3.93 577 433 A 57 GLN H A 56 LYS HBx 1.0 1.8 4.13 578 433 A 56 LYS HBy A 57 GLN H 1.0 1.8 4.13 579 434 A 57 GLN H A 56 LYS HDx 1.0 1.8 4.82 580 434 A 56 LYS HDy A 57 GLN H 1.0 1.8 4.82 581 435 A 57 GLN H A 56 LYS HGy 1.0 1.8 4.86 582 435 A 57 GLN H A 56 LYS HGx 1.0 1.8 4.86 583 436 A 62 VAL HG1% A 56 LYS HGy 1.0 1.8 3.74 584 436 A 62 VAL HG1% A 56 LYS HGx 1.0 1.8 3.74 585 437 A 56 LYS H A 56 LYS HBx 1.0 1.8 3.73 586 437 A 56 LYS HBy A 56 LYS H 1.0 1.8 3.73 587 438 A 56 LYS H A 56 LYS HDx 1.0 1.8 5.27 588 438 A 56 LYS HDy A 56 LYS H 1.0 1.8 5.27 589 439 A 56 LYS H A 56 LYS HGy 1.0 1.8 3.69 590 439 A 56 LYS H A 56 LYS HGx 1.0 1.8 3.69 591 440 A 56 LYS H A 57 GLN H 1.0 1.8 3.71 592 441 A 56 LYS H A 58 VAL H 1.0 1.8 4.93 593 442 A 56 LYS H A 62 VAL HG1% 1.0 1.8 4.63 594 443 A 57 GLN HA A 57 GLN HGx 1.0 1.8 3.72 595 443 A 57 GLN HGy A 57 GLN HA 1.0 1.8 3.72 596 444 A 58 VAL H A 57 GLN HBx 1.0 1.8 3.86 597 444 A 57 GLN HBy A 58 VAL H 1.0 1.8 3.86 598 445 A 57 GLN HE22 A 57 GLN HGx 1.0 1.8 3.44 599 445 A 57 GLN HGy A 57 GLN HE21 1.0 1.8 3.44 600 445 A 57 GLN HGy A 57 GLN HE22 1.0 1.8 3.44 601 445 A 57 GLN HE21 A 57 GLN HGx 1.0 1.8 3.44 602 446 A 57 GLN H A 57 GLN HBx 1.0 1.8 3.49 603 446 A 57 GLN HBy A 57 GLN H 1.0 1.8 3.49 604 447 A 57 GLN H A 58 VAL HG2% 1.0 1.8 4.82 605 448 A 58 VAL HA A 58 VAL HG1% 1.0 1.8 3.77 606 449 A 58 VAL HG2% A 58 VAL HA 1.0 1.8 3.71 607 450 A 58 VAL HB A 59 TYR H 1.0 1.8 3.78 608 451 A 82 PHE HE% A 58 VAL HB 1.0 1.8 5.29 609 452 A 58 VAL HG1% A 59 TYR HBy 1.0 1.8 4.95 610 452 A 58 VAL HG1% A 59 TYR HBx 1.0 1.8 4.95 611 453 A 59 TYR H A 58 VAL HG1% 1.0 1.8 4.30 612 454 A 82 PHE HD% A 58 VAL HG1% 1.0 1.8 4.86 613 455 A 82 PHE HE% A 58 VAL HG1% 1.0 1.8 4.94 614 456 A 58 VAL HG1% A 87 GLU HA 1.0 1.8 4.50 615 457 A 58 VAL HG1% A 87 GLU HBx 1.0 1.8 3.73 616 457 A 58 VAL HG1% A 87 GLU HBy 1.0 1.8 3.73 617 458 A 58 VAL HG1% A 87 GLU HGx 1.0 1.8 4.68 618 458 A 58 VAL HG1% A 87 GLU HGy 1.0 1.8 4.68 619 459 A 91 PHE HA A 58 VAL HG1% 1.0 1.8 4.83 620 460 A 58 VAL HG1% A 91 PHE HBx 1.0 1.8 4.55 621 460 A 91 PHE HBy A 58 VAL HG1% 1.0 1.8 4.55 622 461 A 58 VAL HG1% A 91 PHE H 1.0 1.8 4.75 623 462 A 58 VAL HG2% A 59 TYR HBy 1.0 1.8 6.05 624 462 A 58 VAL HG2% A 59 TYR HBx 1.0 1.8 6.05 625 463 A 58 VAL HG2% A 59 TYR H 1.0 1.8 4.40 626 464 A 82 PHE HE% A 58 VAL HG2% 1.0 1.8 5.60 627 465 A 58 VAL HG2% A 91 PHE HA 1.0 1.8 4.14 628 466 A 58 VAL HG2% A 91 PHE HBx 1.0 1.8 4.50 629 466 A 58 VAL HG2% A 91 PHE HBy 1.0 1.8 4.50 630 467 A 58 VAL HG2% A 91 PHE HD% 1.0 1.8 4.94 631 468 A 58 VAL HG2% A 91 PHE HE% 1.0 1.8 5.92 632 469 A 58 VAL HG2% A 94 LYS HDy 1.0 1.8 5.21 633 469 A 58 VAL HG2% A 94 LYS HDx 1.0 1.8 5.21 634 470 A 58 VAL HG2% A 94 LYS HEy 1.0 1.8 4.66 635 471 A 58 VAL HG2% A 94 LYS HEx 1.0 1.8 4.66 636 472 A 58 VAL HG2% A 94 LYS HGy 1.0 1.8 5.54 637 472 A 58 VAL HG2% A 94 LYS HGx 1.0 1.8 5.54 638 473 A 58 VAL HB A 58 VAL H 1.0 1.8 3.64 639 474 A 58 VAL H A 58 VAL HG1% 1.0 1.8 4.47 640 475 A 58 VAL HG2% A 58 VAL H 1.0 1.8 3.62 641 476 A 58 VAL H A 59 TYR H 1.0 1.8 3.59 642 477 A 59 TYR HA A 59 TYR HD% 1.0 1.8 3.97 643 478 A 59 TYR HA A 60 ALA HB% 1.0 1.8 5.19 644 479 A 59 TYR HA A 60 ALA H 1.0 1.8 3.37 645 480 A 62 VAL HB A 59 TYR HBy 1.0 1.8 5.10 646 480 A 59 TYR HBx A 62 VAL HB 1.0 1.8 5.10 647 481 A 62 VAL H A 59 TYR HBy 1.0 1.8 5.53 648 481 A 59 TYR HBx A 62 VAL H 1.0 1.8 5.53 649 482 A 59 TYR HBx A 87 GLU HGx 1.0 1.8 4.97 650 482 A 59 TYR HBy A 87 GLU HGx 1.0 1.8 4.97 651 482 A 87 GLU HGy A 59 TYR HBy 1.0 1.8 4.97 652 482 A 59 TYR HBx A 87 GLU HGy 1.0 1.8 4.97 653 483 A 60 ALA H A 59 TYR HBy 1.0 1.8 5.62 654 484 A 59 TYR HBx A 60 ALA H 1.0 1.8 5.62 655 485 A 59 TYR HD% A 60 ALA H 1.0 1.8 4.32 656 486 A 59 TYR HD% A 62 VAL HA 1.0 1.8 4.29 657 487 A 59 TYR HD% A 62 VAL HB 1.0 1.8 4.60 658 488 A 62 VAL HG2% A 59 TYR HD% 1.0 1.8 4.41 659 489 A 59 TYR HD% A 62 VAL H 1.0 1.8 4.70 660 490 A 59 TYR HD% A 82 PHE HA 1.0 1.8 4.86 661 491 A 62 VAL HA A 59 TYR HE% 1.0 1.8 4.61 662 492 A 59 TYR HE% A 63 GLU H 1.0 1.8 5.25 663 493 A 82 PHE HA A 59 TYR HE% 1.0 1.8 4.72 664 494 A 59 TYR H A 59 TYR HD% 1.0 1.8 5.18 665 495 A 59 TYR H A 62 VAL HB 1.0 1.8 5.12 666 496 A 82 PHE HE% A 59 TYR H 1.0 1.8 5.02 667 497 A 62 VAL H A 60 ALA HA 1.0 1.8 5.00 668 498 A 60 ALA HB% A 61 ASN HBx 1.0 1.8 5.44 669 498 A 60 ALA HB% A 61 ASN HBy 1.0 1.8 5.44 670 499 A 60 ALA HB% A 61 ASN HD22 1.0 1.8 4.94 671 499 A 60 ALA HB% A 61 ASN HD21 1.0 1.8 4.94 672 500 A 60 ALA HB% A 62 VAL H 1.0 1.8 5.22 673 501 A 60 ALA HB% A 60 ALA H 1.0 1.8 3.39 674 502 A 62 VAL HG2% A 62 VAL HA 1.0 1.8 4.09 675 503 A 62 VAL HA A 63 GLU H 1.0 1.8 3.48 676 504 A 62 VAL HG1% A 63 GLU H 1.0 1.8 4.74 677 505 A 80 PHE HE% A 62 VAL HG1% 1.0 1.8 5.10 678 506 A 62 VAL HG2% A 63 GLU HBx 1.0 1.8 5.60 679 506 A 62 VAL HG2% A 63 GLU HBy 1.0 1.8 5.60 680 507 A 62 VAL HG2% A 63 GLU H 1.0 1.8 3.74 681 508 A 64 TYR H A 62 VAL HG2% 1.0 1.8 5.39 682 509 A 62 VAL HG2% A 80 PHE HA 1.0 1.8 5.00 683 510 A 62 VAL HG2% A 80 PHE HBx 1.0 1.8 4.30 684 510 A 80 PHE HBy A 62 VAL HG2% 1.0 1.8 4.30 685 511 A 80 PHE HD% A 62 VAL HG2% 1.0 1.8 4.03 686 512 A 62 VAL HG2% A 81 LYS HBy 1.0 1.8 5.87 687 512 A 81 LYS HBx A 62 VAL HG2% 1.0 1.8 5.87 688 513 A 62 VAL HG2% A 81 LYS H 1.0 1.8 4.95 689 514 A 62 VAL HG2% A 82 PHE HA 1.0 1.8 5.00 690 515 A 62 VAL HB A 62 VAL H 1.0 1.8 3.47 691 516 A 62 VAL HG1% A 62 VAL H 1.0 1.8 3.45 692 517 A 62 VAL HG2% A 62 VAL H 1.0 1.8 4.28 693 518 A 62 VAL H A 63 GLU H 1.0 1.8 5.03 694 519 A 63 GLU HA A 63 GLU HGx 1.0 1.8 3.90 695 519 A 63 GLU HA A 63 GLU HGy 1.0 1.8 3.90 696 520 A 64 TYR H A 63 GLU HA 1.0 1.8 3.06 697 521 A 64 TYR H A 63 GLU HBx 1.0 1.8 3.93 698 521 A 64 TYR H A 63 GLU HBy 1.0 1.8 3.93 699 522 A 64 TYR H A 63 GLU HGx 1.0 1.8 4.61 700 522 A 64 TYR H A 63 GLU HGy 1.0 1.8 4.61 701 523 A 63 GLU H A 63 GLU HBx 1.0 1.8 3.65 702 523 A 63 GLU H A 63 GLU HBy 1.0 1.8 3.65 703 524 A 63 GLU H A 63 GLU HGx 1.0 1.8 4.05 704 524 A 63 GLU H A 63 GLU HGy 1.0 1.8 4.05 705 525 A 63 GLU H A 81 LYS H 1.0 1.8 5.15 706 526 A 64 TYR HA A 64 TYR HD% 1.0 1.8 5.01 707 527 A 64 TYR HA A 65 GLU H 1.0 1.8 3.90 708 528 A 64 TYR HA A 80 PHE HA 1.0 1.8 4.52 709 529 A 64 TYR HA A 81 LYS H 1.0 1.8 5.00 710 530 A 65 GLU H A 64 TYR HBx 1.0 1.8 3.90 711 530 A 65 GLU H A 64 TYR HBy 1.0 1.8 3.90 712 531 A 64 TYR HD% A 66 VAL HGx% 1.0 1.8 4.21 713 531 A 64 TYR HD% A 66 VAL HGy% 1.0 1.8 4.21 714 532 A 64 TYR HE% A 66 VAL HGx% 1.0 1.8 4.38 715 532 A 64 TYR HE% A 66 VAL HGy% 1.0 1.8 4.38 716 533 A 64 TYR H A 64 TYR HD% 1.0 1.8 3.94 717 534 A 65 GLU HA A 66 VAL HB 1.0 1.8 5.50 718 535 A 65 GLU HA A 66 VAL H 1.0 1.8 3.30 719 536 A 79 ARG H A 65 GLU HBx 1.0 1.8 5.06 720 536 A 65 GLU HBy A 79 ARG H 1.0 1.8 5.06 721 537 A 65 GLU HBy A 66 VAL H 1.0 1.8 5.86 722 538 A 66 VAL H A 65 GLU HBx 1.0 1.8 5.86 723 539 A 66 VAL H A 65 GLU HGx 1.0 1.8 4.35 724 539 A 66 VAL H A 65 GLU HGy 1.0 1.8 4.35 725 540 A 65 GLU H A 79 ARG H 1.0 1.8 4.29 726 541 A 66 VAL HA A 66 VAL HGx% 1.0 1.8 4.07 727 542 A 66 VAL HGy% A 66 VAL HA 1.0 1.8 4.07 728 543 A 66 VAL HA A 67 ALA H 1.0 1.8 3.43 729 544 A 66 VAL HA A 78 ALA HA 1.0 1.8 4.37 730 545 A 78 ALA HB% A 66 VAL HA 1.0 1.8 4.02 731 546 A 79 ARG H A 66 VAL HA 1.0 1.8 4.86 732 547 A 66 VAL HB A 67 ALA H 1.0 1.8 4.86 733 548 A 76 LEU HD2% A 66 VAL HB 1.0 1.8 5.81 734 549 A 67 ALA H A 66 VAL HGx% 1.0 1.8 3.77 735 549 A 66 VAL HGy% A 67 ALA H 1.0 1.8 3.77 736 550 A 76 LEU HD2% A 66 VAL HGx% 1.0 1.8 3.31 737 550 A 76 LEU HD2% A 66 VAL HGy% 1.0 1.8 3.31 738 551 A 76 LEU HG A 66 VAL HGx% 1.0 1.8 3.79 739 551 A 66 VAL HGy% A 76 LEU HG 1.0 1.8 3.79 740 552 A 67 ALA H A 66 VAL HGx% 1.0 1.8 4.59 741 553 A 66 VAL HGy% A 67 ALA H 1.0 1.8 4.59 742 554 A 66 VAL HB A 66 VAL H 1.0 1.8 3.76 743 555 A 66 VAL H A 66 VAL HGx% 1.0 1.8 3.71 744 555 A 66 VAL HGy% A 66 VAL H 1.0 1.8 3.71 745 556 A 66 VAL H A 66 VAL HGx% 1.0 1.8 4.71 746 557 A 66 VAL HGy% A 66 VAL H 1.0 1.8 4.71 747 558 A 67 ALA HA A 68 PRO HDx 1.0 1.8 3.36 748 558 A 67 ALA HA A 68 PRO HDy 1.0 1.8 3.36 749 559 A 67 ALA HA A 68 PRO HGx 1.0 1.8 5.09 750 559 A 67 ALA HA A 68 PRO HGy 1.0 1.8 5.09 751 560 A 67 ALA HB% A 68 PRO HDx 1.0 1.8 3.82 752 560 A 67 ALA HB% A 68 PRO HDy 1.0 1.8 3.82 753 561 A 67 ALA HB% A 77 HIS HBx 1.0 1.8 4.69 754 561 A 67 ALA HB% A 77 HIS HBy 1.0 1.8 4.69 755 562 A 67 ALA HB% A 77 HIS H 1.0 1.8 5.29 756 563 A 67 ALA HB% A 67 ALA H 1.0 1.8 3.60 757 564 A 76 LEU HD2% A 67 ALA H 1.0 1.8 5.52 758 565 A 67 ALA H A 77 HIS H 1.0 1.8 5.27 759 566 A 67 ALA H A 78 ALA HA 1.0 1.8 4.84 760 567 A 78 ALA HB% A 67 ALA H 1.0 1.8 5.08 761 568 A 69 VAL HG2% A 68 PRO HA 1.0 1.8 4.32 762 569 A 69 VAL H A 68 PRO HA 1.0 1.8 3.31 763 570 A 69 VAL H A 68 PRO HBx 1.0 1.8 3.92 764 570 A 69 VAL H A 68 PRO HBy 1.0 1.8 3.92 765 571 A 69 VAL HG2% A 68 PRO HDx 1.0 1.8 5.89 766 571 A 69 VAL HG2% A 68 PRO HDy 1.0 1.8 5.89 767 572 A 69 VAL HG1% A 69 VAL HA 1.0 1.8 3.59 768 573 A 69 VAL HG2% A 69 VAL HA 1.0 1.8 3.69 769 574 A 69 VAL HA A 70 ALA HB% 1.0 1.8 4.61 770 575 A 69 VAL HA A 70 ALA H 1.0 1.8 2.95 771 576 A 69 VAL HB A 70 ALA H 1.0 1.8 4.58 772 577 A 69 VAL HB A 73 ALA HB% 1.0 1.8 4.38 773 578 A 69 VAL HG1% A 70 ALA H 1.0 1.8 3.96 774 579 A 69 VAL HG1% A 71 ASP H 1.0 1.8 5.79 775 580 A 69 VAL HG1% A 73 ALA HB% 1.0 1.8 3.25 776 581 A 69 VAL HG1% A 73 ALA H 1.0 1.8 4.54 777 582 A 69 VAL HG1% A 76 LEU HA 1.0 1.8 4.65 778 583 A 69 VAL HG2% A 70 ALA H 1.0 1.8 4.59 779 584 A 69 VAL HG2% A 76 LEU HA 1.0 1.8 4.60 780 585 A 69 VAL HG2% A 76 LEU HG 1.0 1.8 3.42 781 586 A 69 VAL HB A 69 VAL H 1.0 1.8 4.28 782 587 A 69 VAL HG1% A 69 VAL H 1.0 1.8 4.51 783 588 A 69 VAL HG2% A 69 VAL H 1.0 1.8 3.51 784 589 A 71 ASP H A 70 ALA HA 1.0 1.8 3.09 785 590 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 5.21 786 590 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 5.21 787 591 A 70 ALA HB% A 71 ASP H 1.0 1.8 3.41 788 592 A 70 ALA HB% A 72 ASN H 1.0 1.8 3.70 789 593 A 70 ALA HB% A 73 ALA H 1.0 1.8 4.70 790 594 A 70 ALA HB% A 70 ALA H 1.0 1.8 3.21 791 595 A 70 ALA H A 73 ALA HA 1.0 1.8 5.60 792 596 A 73 ALA HB% A 70 ALA H 1.0 1.8 3.93 793 597 A 70 ALA H A 73 ALA H 1.0 1.8 5.00 794 598 A 71 ASP HA A 73 ALA H 1.0 1.8 5.00 795 599 A 72 ASN H A 71 ASP HBx 1.0 1.8 4.32 796 599 A 71 ASP HBy A 72 ASN H 1.0 1.8 4.32 797 600 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.27 798 600 A 71 ASP H A 71 ASP HBy 1.0 1.8 3.27 799 601 A 71 ASP H A 72 ASN HBx 1.0 1.8 5.35 800 601 A 71 ASP H A 72 ASN HBy 1.0 1.8 5.35 801 602 A 71 ASP H A 72 ASN H 1.0 1.8 3.84 802 603 A 71 ASP H A 73 ALA H 1.0 1.8 5.00 803 604 A 72 ASN HBy A 72 ASN HD22 1.0 1.8 3.49 804 604 A 72 ASN HBx A 72 ASN HD22 1.0 1.8 3.49 805 604 A 72 ASN HD21 A 72 ASN HBx 1.0 1.8 3.49 806 604 A 72 ASN HBy A 72 ASN HD21 1.0 1.8 3.49 807 605 A 72 ASN H A 72 ASN HBx 1.0 1.8 3.73 808 605 A 72 ASN H A 72 ASN HBy 1.0 1.8 3.73 809 606 A 73 ALA H A 72 ASN H 1.0 1.8 3.69 810 607 A 73 ALA HA A 74 THR H 1.0 1.8 3.48 811 608 A 75 GLU H A 73 ALA HA 1.0 1.8 4.25 812 609 A 73 ALA HB% A 74 THR H 1.0 1.8 3.97 813 610 A 73 ALA HB% A 75 GLU H 1.0 1.8 3.86 814 611 A 73 ALA HB% A 73 ALA H 1.0 1.8 3.23 815 612 A 73 ALA H A 74 THR H 1.0 1.8 5.13 816 613 A 74 THR HA A 74 THR HG2% 1.0 1.8 3.63 817 614 A 74 THR HB A 75 GLU H 1.0 1.8 5.01 818 615 A 75 GLU H A 74 THR HG2% 1.0 1.8 4.75 819 616 A 74 THR H A 74 THR HG2% 1.0 1.8 4.35 820 617 A 75 GLU H A 74 THR H 1.0 1.8 3.58 821 618 A 76 LEU H A 75 GLU HA 1.0 1.8 3.70 822 619 A 76 LEU H A 75 GLU HBx 1.0 1.8 4.40 823 619 A 76 LEU H A 75 GLU HBy 1.0 1.8 4.40 824 620 A 75 GLU H A 75 GLU HGx 1.0 1.8 4.33 825 620 A 75 GLU H A 75 GLU HGy 1.0 1.8 4.33 826 621 A 76 LEU HD1% A 76 LEU HA 1.0 1.8 4.96 827 622 A 76 LEU HD2% A 76 LEU HA 1.0 1.8 4.73 828 623 A 77 HIS H A 76 LEU HA 1.0 1.8 3.75 829 624 A 77 HIS HA A 76 LEU HD2% 1.0 1.8 5.01 830 625 A 76 LEU HD2% A 77 HIS H 1.0 1.8 5.09 831 626 A 76 LEU HG A 77 HIS H 1.0 1.8 4.84 832 627 A 76 LEU H A 76 LEU HD2% 1.0 1.8 5.93 833 628 A 78 ALA HB% A 77 HIS HA 1.0 1.8 4.79 834 629 A 78 ALA H A 77 HIS HA 1.0 1.8 3.66 835 630 A 78 ALA HB% A 77 HIS H 1.0 1.8 5.98 836 631 A 79 ARG H A 78 ALA HA 1.0 1.8 3.66 837 632 A 78 ALA HB% A 79 ARG H 1.0 1.8 4.06 838 633 A 78 ALA HB% A 80 PHE HE% 1.0 1.8 4.60 839 634 A 80 PHE H A 79 ARG HBy 1.0 1.8 5.71 840 635 A 80 PHE H A 79 ARG HBx 1.0 1.8 5.71 841 636 A 80 PHE H A 79 ARG H 1.0 1.8 5.02 842 637 A 82 PHE HE% A 80 PHE HBx 1.0 1.8 4.51 843 637 A 80 PHE HBy A 82 PHE HE% 1.0 1.8 4.51 844 638 A 80 PHE H A 80 PHE HD% 1.0 1.8 4.57 845 639 A 80 PHE H A 81 LYS H 1.0 1.8 4.93 846 640 A 81 LYS HA A 81 LYS HDx 1.0 1.8 4.17 847 640 A 81 LYS HA A 81 LYS HDy 1.0 1.8 4.17 848 641 A 81 LYS HA A 82 PHE H 1.0 1.8 3.79 849 642 A 82 PHE H A 81 LYS HGx 1.0 1.8 4.79 850 642 A 81 LYS HGy A 82 PHE H 1.0 1.8 4.79 851 643 A 82 PHE HBx A 87 GLU HBx 1.0 1.8 4.50 852 643 A 82 PHE HBy A 87 GLU HBx 1.0 1.8 4.50 853 643 A 87 GLU HBy A 82 PHE HBx 1.0 1.8 4.50 854 643 A 87 GLU HBy A 82 PHE HBy 1.0 1.8 4.50 855 644 A 88 LYS HA A 82 PHE HBx 1.0 1.8 5.52 856 644 A 82 PHE HBy A 88 LYS HA 1.0 1.8 5.52 857 645 A 88 LYS H A 82 PHE HBx 1.0 1.8 4.80 858 645 A 88 LYS H A 82 PHE HBy 1.0 1.8 4.80 859 646 A 82 PHE HBy A 83 GLU H 1.0 1.8 4.81 860 647 A 83 GLU H A 82 PHE HBx 1.0 1.8 4.81 861 648 A 82 PHE HD% A 83 GLU H 1.0 1.8 4.92 862 649 A 82 PHE HD% A 87 GLU HBx 1.0 1.8 5.53 863 649 A 82 PHE HD% A 87 GLU HBy 1.0 1.8 5.53 864 650 A 82 PHE HD% A 88 LYS HA 1.0 1.8 5.18 865 651 A 82 PHE HE% A 91 PHE HD% 1.0 1.8 4.38 866 652 A 82 PHE H A 82 PHE HD% 1.0 1.8 4.58 867 653 A 83 GLU HA A 83 GLU HGy 1.0 1.8 3.90 868 653 A 83 GLU HA A 83 GLU HGx 1.0 1.8 3.90 869 654 A 84 VAL HG1% A 83 GLU HBx 1.0 1.8 4.11 870 654 A 83 GLU HBy A 84 VAL HG1% 1.0 1.8 4.11 871 655 A 84 VAL H A 83 GLU HGy 1.0 1.8 4.84 872 655 A 83 GLU HGx A 84 VAL H 1.0 1.8 4.84 873 656 A 84 VAL HG1% A 83 GLU HGy 1.0 1.8 4.22 874 657 A 83 GLU HGx A 84 VAL HG1% 1.0 1.8 4.22 875 658 A 83 GLU H A 83 GLU HGy 1.0 1.8 4.71 876 658 A 83 GLU H A 83 GLU HGx 1.0 1.8 4.71 877 659 A 83 GLU H A 84 VAL H 1.0 1.8 4.31 878 660 A 84 VAL HG1% A 84 VAL HA 1.0 1.8 3.52 879 661 A 84 VAL HA A 84 VAL HG2% 1.0 1.8 3.93 880 662 A 84 VAL HA A 85 SER H 1.0 1.8 3.50 881 663 A 85 SER H A 84 VAL HB 1.0 1.8 4.08 882 664 A 84 VAL HB A 86 ALA H 1.0 1.8 4.23 883 665 A 84 VAL HG1% A 85 SER H 1.0 1.8 4.70 884 666 A 84 VAL HG1% A 86 ALA HB% 1.0 1.8 4.61 885 667 A 84 VAL HG1% A 86 ALA H 1.0 1.8 4.95 886 668 A 84 VAL HG1% A 87 GLU H 1.0 1.8 5.48 887 669 A 84 VAL HG2% A 85 SER H 1.0 1.8 4.70 888 670 A 84 VAL HG2% A 86 ALA H 1.0 1.8 3.83 889 671 A 84 VAL HG2% A 87 GLU HGx 1.0 1.8 3.73 890 671 A 87 GLU HGy A 84 VAL HG2% 1.0 1.8 3.73 891 672 A 84 VAL HG2% A 87 GLU H 1.0 1.8 3.65 892 673 A 84 VAL HG1% A 84 VAL H 1.0 1.8 4.79 893 674 A 84 VAL H A 84 VAL HG2% 1.0 1.8 4.25 894 675 A 84 VAL H A 85 SER H 1.0 1.8 4.98 895 676 A 84 VAL H A 87 GLU HBx 1.0 1.8 5.48 896 676 A 87 GLU HBy A 84 VAL H 1.0 1.8 5.48 897 677 A 85 SER HA A 88 LYS HBy 1.0 1.8 4.86 898 678 A 85 SER HA A 88 LYS HBx 1.0 1.8 4.86 899 679 A 88 LYS H A 85 SER HA 1.0 1.8 4.65 900 680 A 86 ALA H A 85 SER HBx 1.0 1.8 4.48 901 680 A 86 ALA H A 85 SER HBy 1.0 1.8 4.48 902 681 A 85 SER H A 86 ALA H 1.0 1.8 4.47 903 682 A 86 ALA HA A 89 LEU HD2% 1.0 1.8 4.80 904 682 A 86 ALA HA A 89 LEU HD1% 1.0 1.8 4.80 905 683 A 86 ALA HA A 89 LEU H 1.0 1.8 4.80 906 684 A 86 ALA HB% A 87 GLU H 1.0 1.8 4.06 907 685 A 88 LYS H A 86 ALA HB% 1.0 1.8 5.42 908 686 A 86 ALA HB% A 89 LEU H 1.0 1.8 5.68 909 687 A 86 ALA HB% A 90 ILE HD1% 1.0 1.8 3.93 910 688 A 86 ALA HB% A 90 ILE H 1.0 1.8 5.08 911 689 A 86 ALA H A 86 ALA HB% 1.0 1.8 3.23 912 690 A 86 ALA H A 87 GLU H 1.0 1.8 4.39 913 691 A 87 GLU HA A 87 GLU HGx 1.0 1.8 3.95 914 691 A 87 GLU HA A 87 GLU HGy 1.0 1.8 3.95 915 692 A 87 GLU HA A 90 ILE HB 1.0 1.8 4.36 916 693 A 87 GLU HA A 90 ILE HD1% 1.0 1.8 4.98 917 694 A 87 GLU HA A 90 ILE HG2% 1.0 1.8 5.01 918 695 A 87 GLU HA A 90 ILE H 1.0 1.8 5.00 919 696 A 88 LYS H A 87 GLU HBx 1.0 1.8 4.40 920 696 A 88 LYS H A 87 GLU HBy 1.0 1.8 4.40 921 697 A 87 GLU H A 87 GLU HBx 1.0 1.8 3.72 922 697 A 87 GLU HBy A 87 GLU H 1.0 1.8 3.72 923 698 A 87 GLU H A 87 GLU HGx 1.0 1.8 4.20 924 698 A 87 GLU HGy A 87 GLU H 1.0 1.8 4.20 925 699 A 88 LYS H A 87 GLU H 1.0 1.8 3.89 926 700 A 87 GLU H A 90 ILE HB 1.0 1.8 5.33 927 701 A 91 PHE HBy A 88 LYS HA 1.0 1.8 5.90 928 702 A 88 LYS HA A 91 PHE HBx 1.0 1.8 5.90 929 703 A 91 PHE H A 88 LYS HA 1.0 1.8 4.63 930 704 A 88 LYS HA A 92 GLU H 1.0 1.8 5.00 931 705 A 88 LYS HBx A 88 LYS HDx 1.0 1.8 3.67 932 705 A 88 LYS HBy A 88 LYS HDx 1.0 1.8 3.67 933 705 A 88 LYS HDy A 88 LYS HBy 1.0 1.8 3.67 934 705 A 88 LYS HBx A 88 LYS HDy 1.0 1.8 3.67 935 706 A 89 LEU HD1% A 88 LYS HBx 1.0 1.8 4.77 936 706 A 89 LEU HD1% A 88 LYS HBy 1.0 1.8 4.77 937 707 A 89 LEU H A 88 LYS HBy 1.0 1.8 4.13 938 707 A 89 LEU H A 88 LYS HBx 1.0 1.8 4.13 939 708 A 88 LYS HEy A 88 LYS HGy 1.0 1.8 3.65 940 708 A 88 LYS HEx A 88 LYS HGy 1.0 1.8 3.65 941 708 A 88 LYS HGx A 88 LYS HEy 1.0 1.8 3.65 942 708 A 88 LYS HEx A 88 LYS HGx 1.0 1.8 3.65 943 709 A 89 LEU H A 88 LYS HGy 1.0 1.8 5.87 944 709 A 88 LYS HGx A 89 LEU H 1.0 1.8 5.87 945 710 A 88 LYS H A 88 LYS HBy 1.0 1.8 3.95 946 711 A 88 LYS H A 88 LYS HBx 1.0 1.8 3.95 947 712 A 88 LYS H A 88 LYS HGy 1.0 1.8 5.26 948 712 A 88 LYS H A 88 LYS HGx 1.0 1.8 5.26 949 713 A 88 LYS H A 89 LEU H 1.0 1.8 4.10 950 714 A 88 LYS H A 90 ILE HB 1.0 1.8 6.05 951 715 A 89 LEU HD1% A 89 LEU HA 1.0 1.8 4.03 952 716 A 89 LEU HA A 89 LEU HD2% 1.0 1.8 4.42 953 717 A 89 LEU HA A 89 LEU HG 1.0 1.8 4.14 954 718 A 89 LEU HA A 92 GLU HBx 1.0 1.8 4.62 955 718 A 89 LEU HA A 92 GLU HBy 1.0 1.8 4.62 956 719 A 92 GLU H A 89 LEU HA 1.0 1.8 4.80 957 720 A 89 LEU HBy A 89 LEU HD2% 1.0 1.8 3.53 958 720 A 89 LEU HBx A 89 LEU HD2% 1.0 1.8 3.53 959 721 A 90 ILE H A 89 LEU HBx 1.0 1.8 3.53 960 721 A 90 ILE H A 89 LEU HBy 1.0 1.8 3.53 961 722 A 89 LEU H A 89 LEU HBx 1.0 1.8 3.30 962 722 A 89 LEU H A 89 LEU HBy 1.0 1.8 3.30 963 723 A 89 LEU HD1% A 89 LEU H 1.0 1.8 4.30 964 724 A 89 LEU H A 89 LEU HD2% 1.0 1.8 5.41 965 725 A 89 LEU H A 90 ILE H 1.0 1.8 4.06 966 726 A 90 ILE HD1% A 90 ILE HA 1.0 1.8 4.52 967 727 A 90 ILE HA A 90 ILE HG1x 1.0 1.8 4.25 968 728 A 90 ILE HA A 90 ILE HG1y 1.0 1.8 4.25 969 729 A 90 ILE HA A 93 LEU HBy 1.0 1.8 4.07 970 729 A 90 ILE HA A 93 LEU HBx 1.0 1.8 4.07 971 730 A 90 ILE HA A 93 LEU HD1% 1.0 1.8 4.50 972 731 A 90 ILE HA A 93 LEU HD2% 1.0 1.8 5.00 973 732 A 90 ILE HA A 93 LEU H 1.0 1.8 4.74 974 733 A 91 PHE HA A 90 ILE HB 1.0 1.8 4.77 975 734 A 91 PHE H A 90 ILE HB 1.0 1.8 3.99 976 735 A 91 PHE HA A 90 ILE HG2% 1.0 1.8 4.66 977 736 A 91 PHE H A 90 ILE HG2% 1.0 1.8 4.91 978 737 A 90 ILE HG2% A 94 LYS HEy 1.0 1.8 4.13 979 737 A 90 ILE HG2% A 94 LYS HEx 1.0 1.8 4.13 980 738 A 90 ILE HG2% A 94 LYS H 1.0 1.8 4.85 981 739 A 90 ILE H A 90 ILE HB 1.0 1.8 3.52 982 740 A 90 ILE HD1% A 90 ILE H 1.0 1.8 4.33 983 741 A 90 ILE H A 90 ILE HG1x 1.0 1.8 4.28 984 742 A 90 ILE H A 90 ILE HG1y 1.0 1.8 4.28 985 743 A 90 ILE H A 90 ILE HG2% 1.0 1.8 4.82 986 744 A 91 PHE H A 90 ILE H 1.0 1.8 3.93 987 745 A 91 PHE HA A 91 PHE HD% 1.0 1.8 4.37 988 746 A 91 PHE HBy A 92 GLU H 1.0 1.8 4.81 989 747 A 92 GLU H A 91 PHE HBx 1.0 1.8 4.81 990 748 A 95 THR HG2% A 91 PHE HE% 1.0 1.8 4.57 991 749 A 91 PHE HBy A 91 PHE H 1.0 1.8 3.92 992 750 A 91 PHE H A 91 PHE HBx 1.0 1.8 3.92 993 751 A 91 PHE HD% A 91 PHE H 1.0 1.8 4.79 994 752 A 91 PHE H A 92 GLU H 1.0 1.8 4.17 995 753 A 93 LEU H A 92 GLU HBx 1.0 1.8 4.09 996 753 A 92 GLU HBy A 93 LEU H 1.0 1.8 4.09 997 754 A 92 GLU H A 92 GLU HBx 1.0 1.8 3.69 998 754 A 92 GLU H A 92 GLU HBy 1.0 1.8 3.69 999 755 A 92 GLU H A 92 GLU HGx 1.0 1.8 4.75 1000 755 A 92 GLU H A 92 GLU HGy 1.0 1.8 4.75 1001 756 A 92 GLU H A 93 LEU H 1.0 1.8 4.15 1002 757 A 93 LEU HD1% A 93 LEU HA 1.0 1.8 4.20 1003 758 A 93 LEU HD2% A 93 LEU HA 1.0 1.8 4.64 1004 759 A 93 LEU HA A 96 ARG H 1.0 1.8 5.00 1005 760 A 93 LEU HA A 97 ALA H 1.0 1.8 5.28 1006 761 A 93 LEU HD2% A 93 LEU HBy 1.0 1.8 3.10 1007 761 A 93 LEU HBx A 93 LEU HD2% 1.0 1.8 3.10 1008 762 A 94 LYS H A 93 LEU HBy 1.0 1.8 3.60 1009 762 A 93 LEU HBx A 94 LYS H 1.0 1.8 3.60 1010 763 A 93 LEU HD1% A 94 LYS H 1.0 1.8 5.35 1011 764 A 93 LEU H A 93 LEU HBy 1.0 1.8 3.75 1012 765 A 93 LEU HBx A 93 LEU H 1.0 1.8 3.75 1013 766 A 93 LEU HD1% A 93 LEU H 1.0 1.8 5.27 1014 767 A 93 LEU HD2% A 93 LEU H 1.0 1.8 5.08 1015 768 A 93 LEU H A 94 LYS H 1.0 1.8 3.97 1016 769 A 94 LYS HA A 94 LYS HDy 1.0 1.8 4.87 1017 770 A 94 LYS HDx A 94 LYS HA 1.0 1.8 4.87 1018 771 A 94 LYS HA A 94 LYS HGy 1.0 1.8 3.86 1019 771 A 94 LYS HGx A 94 LYS HA 1.0 1.8 3.86 1020 772 A 97 ALA H A 94 LYS HA 1.0 1.8 5.00 1021 773 A 94 LYS HBx A 94 LYS HDy 1.0 1.8 3.63 1022 773 A 94 LYS HBy A 94 LYS HDy 1.0 1.8 3.63 1023 773 A 94 LYS HDx A 94 LYS HBx 1.0 1.8 3.63 1024 773 A 94 LYS HDx A 94 LYS HBy 1.0 1.8 3.63 1025 774 A 94 LYS HBx A 94 LYS HEy 1.0 1.8 4.86 1026 774 A 94 LYS HBy A 94 LYS HEy 1.0 1.8 4.86 1027 774 A 94 LYS HEx A 94 LYS HBx 1.0 1.8 4.86 1028 774 A 94 LYS HEx A 94 LYS HBy 1.0 1.8 4.86 1029 775 A 95 THR HG2% A 94 LYS HBx 1.0 1.8 5.14 1030 775 A 95 THR HG2% A 94 LYS HBy 1.0 1.8 5.14 1031 776 A 94 LYS HEx A 94 LYS HGy 1.0 1.8 3.58 1032 776 A 94 LYS HEy A 94 LYS HGy 1.0 1.8 3.58 1033 776 A 94 LYS HGx A 94 LYS HEy 1.0 1.8 3.58 1034 776 A 94 LYS HGx A 94 LYS HEx 1.0 1.8 3.58 1035 777 A 94 LYS H A 94 LYS HBx 1.0 1.8 3.55 1036 777 A 94 LYS H A 94 LYS HBy 1.0 1.8 3.55 1037 778 A 94 LYS H A 94 LYS HDy 1.0 1.8 5.36 1038 778 A 94 LYS HDx A 94 LYS H 1.0 1.8 5.36 1039 779 A 94 LYS H A 94 LYS HGy 1.0 1.8 4.83 1040 780 A 94 LYS HGx A 94 LYS H 1.0 1.8 4.83 1041 781 A 94 LYS H A 95 THR H 1.0 1.8 3.99 1042 782 A 95 THR HG2% A 95 THR HA 1.0 1.8 3.92 1043 783 A 95 THR HA A 98 LEU HBy 1.0 1.8 4.77 1044 783 A 95 THR HA A 98 LEU HBx 1.0 1.8 4.77 1045 784 A 98 LEU HD1% A 95 THR HA 1.0 1.8 5.01 1046 785 A 95 THR HA A 98 LEU HG 1.0 1.8 5.97 1047 786 A 95 THR HA A 98 LEU H 1.0 1.8 5.00 1048 787 A 98 LEU HD1% A 95 THR HB 1.0 1.8 6.00 1049 788 A 95 THR HG2% A 95 THR H 1.0 1.8 4.22 1050 789 A 96 ARG H A 95 THR H 1.0 1.8 4.35 1051 790 A 96 ARG HA A 96 ARG HE 1.0 1.8 5.21 1052 791 A 96 ARG HA A 96 ARG HGx 1.0 1.8 3.83 1053 791 A 96 ARG HA A 96 ARG HGy 1.0 1.8 3.83 1054 792 A 96 ARG HA A 99 ALA HB% 1.0 1.8 4.10 1055 793 A 96 ARG HA A 99 ALA H 1.0 1.8 4.86 1056 794 A 97 ALA HA A 96 ARG HBy 1.0 1.8 4.63 1057 794 A 96 ARG HBx A 97 ALA HA 1.0 1.8 4.63 1058 795 A 97 ALA H A 96 ARG HBy 1.0 1.8 4.57 1059 795 A 97 ALA H A 96 ARG HBx 1.0 1.8 4.57 1060 796 A 97 ALA H A 96 ARG HGx 1.0 1.8 5.10 1061 796 A 97 ALA H A 96 ARG HGy 1.0 1.8 5.10 1062 797 A 96 ARG H A 96 ARG HBy 1.0 1.8 4.21 1063 798 A 96 ARG H A 96 ARG HBx 1.0 1.8 4.21 1064 799 A 96 ARG H A 96 ARG HGx 1.0 1.8 4.37 1065 799 A 96 ARG H A 96 ARG HGy 1.0 1.8 4.37 1066 800 A 98 LEU H A 97 ALA HB% 1.0 1.8 4.05 1067 801 A 97 ALA H A 97 ALA HB% 1.0 1.8 3.48 1068 802 A 97 ALA H A 98 LEU H 1.0 1.8 4.08 1069 803 A 98 LEU HD1% A 98 LEU HA 1.0 1.8 4.61 1070 804 A 98 LEU HD2% A 98 LEU HA 1.0 1.8 3.71 1071 805 A 98 LEU HA A 101 LEU HD2% 1.0 1.8 4.71 1072 805 A 98 LEU HA A 101 LEU HD1% 1.0 1.8 4.71 1073 806 A 98 LEU HD2% A 98 LEU HBy 1.0 1.8 3.69 1074 806 A 98 LEU HD2% A 98 LEU HBx 1.0 1.8 3.69 1075 807 A 98 LEU HD1% A 98 LEU HBy 1.0 1.8 4.17 1076 808 A 98 LEU HD1% A 98 LEU HBx 1.0 1.8 4.17 1077 809 A 98 LEU H A 98 LEU HBy 1.0 1.8 3.73 1078 809 A 98 LEU HBx A 98 LEU H 1.0 1.8 3.73 1079 810 A 98 LEU HD1% A 98 LEU H 1.0 1.8 4.86 1080 811 A 98 LEU HD2% A 98 LEU H 1.0 1.8 5.06 1081 812 A 98 LEU HG A 98 LEU H 1.0 1.8 4.51 1082 813 A 98 LEU H A 99 ALA H 1.0 1.8 4.29 1083 814 A 99 ALA HB% A 100 ARG H 1.0 1.8 4.27 1084 815 A 100 ARG H A 100 ARG HGx 1.0 1.8 4.75 1085 815 A 100 ARG H A 100 ARG HGy 1.0 1.8 4.75 1086 816 A 101 LEU HA A 101 LEU HD2% 1.0 1.8 3.58 1087 816 A 101 LEU HD1% A 101 LEU HA 1.0 1.8 3.58 1088 817 A 101 LEU HD1% A 101 LEU HA 1.0 1.8 4.41 1089 818 A 101 LEU HA A 101 LEU HD2% 1.0 1.8 4.41 1090 819 A 101 LEU HA A 101 LEU HG 1.0 1.8 4.14 1091 820 A 102 GLU H A 101 LEU HD2% 1.0 1.8 5.21 1092 820 A 101 LEU HD1% A 102 GLU H 1.0 1.8 5.21 1093 821 A 101 LEU HG A 102 GLU H 1.0 1.8 5.56 1094 822 A 101 LEU H A 101 LEU HBx 1.0 1.8 3.92 1095 822 A 101 LEU H A 101 LEU HBy 1.0 1.8 3.92 1096 823 A 101 LEU H A 101 LEU HD2% 1.0 1.8 4.59 1097 823 A 101 LEU HD1% A 101 LEU H 1.0 1.8 4.59 1098 824 A 101 LEU HD1% A 101 LEU H 1.0 1.8 5.37 1099 825 A 101 LEU H A 101 LEU HD2% 1.0 1.8 5.37 1100 826 A 101 LEU HG A 101 LEU H 1.0 1.8 4.58 1101 827 A 102 GLU HA A 103 HIS H 1.0 1.8 3.61 1102 828 A 103 HIS H A 102 GLU HGx 1.0 1.8 5.18 1103 828 A 103 HIS H A 102 GLU HGy 1.0 1.8 5.18 1104 829 A 102 GLU H A 102 GLU HGx 1.0 1.8 4.86 1105 829 A 102 GLU H A 102 GLU HGy 1.0 1.8 4.86 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 32 ALA H A 80 PHE O 1.0 1.7 2.3 2 2 A 80 PHE O A 32 ALA N 1.0 2.7 3.3 3 3 A 34 VAL H A 78 ALA O 1.0 1.7 2.3 4 4 A 78 ALA O A 34 VAL N 1.0 2.7 3.3 5 5 A 36 LEU H A 76 LEU O 1.0 1.7 2.3 6 6 A 76 LEU O A 36 LEU N 1.0 2.7 3.3 7 7 A 38 GLY H A 74 THR O 1.0 1.7 2.3 8 8 A 74 THR O A 38 GLY N 1.0 2.7 3.3 9 9 A 41 LYS H A 71 ASP O 1.0 1.7 2.3 10 10 A 71 ASP O A 41 LYS N 1.0 2.7 3.3 11 11 A 45 GLU H A 41 LYS O 1.0 1.7 2.3 12 12 A 41 LYS O A 45 GLU N 1.0 2.7 3.3 13 13 A 46 GLY H A 42 ALA O 1.0 1.7 2.3 14 14 A 42 ALA O A 46 GLY N 1.0 2.7 3.3 15 15 A 47 LYS H A 43 HIS O 1.0 1.7 2.3 16 16 A 43 HIS O A 47 LYS N 1.0 2.7 3.3 17 17 A 48 LEU H A 44 LEU O 1.0 1.7 2.3 18 18 A 44 LEU O A 48 LEU N 1.0 2.7 3.3 19 19 A 49 ALA H A 45 GLU O 1.0 1.7 2.3 20 20 A 45 GLU O A 49 ALA N 1.0 2.7 3.3 21 21 A 52 ILE H A 48 LEU O 1.0 1.7 2.3 22 22 A 48 LEU O A 52 ILE N 1.0 2.7 3.3 23 23 A 53 SER H A 49 ALA O 1.0 1.7 2.3 24 24 A 49 ALA O A 53 SER N 1.0 2.7 3.3 25 25 A 54 LEU H A 50 GLU O 1.0 1.7 2.3 26 26 A 50 GLU O A 54 LEU N 1.0 2.7 3.3 27 27 A 55 ALA H A 51 TYR O 1.0 1.7 2.3 28 28 A 51 TYR O A 55 ALA N 1.0 2.7 3.3 29 29 A 56 LYS H A 52 ILE O 1.0 1.7 2.3 30 30 A 52 ILE O A 56 LYS N 1.0 2.7 3.3 31 31 A 57 GLN H A 53 SER O 1.0 1.7 2.3 32 32 A 53 SER O A 57 GLN N 1.0 2.7 3.3 33 33 A 58 VAL H A 54 LEU O 1.0 1.7 2.3 34 34 A 54 LEU O A 58 VAL N 1.0 2.7 3.3 35 35 A 59 TYR H A 55 ALA O 1.0 1.7 2.3 36 36 A 55 ALA O A 59 TYR N 1.0 2.7 3.3 37 37 A 65 GLU H A 79 ARG O 1.0 1.7 2.3 38 38 A 79 ARG O A 65 GLU N 1.0 2.7 3.3 39 39 A 67 ALA H A 77 HIS O 1.0 1.7 2.3 40 40 A 77 HIS O A 67 ALA N 1.0 2.7 3.3 41 41 A 73 ALA H A 70 ALA O 1.0 1.7 2.3 42 42 A 70 ALA O A 73 ALA N 1.0 2.7 3.3 43 43 A 76 LEU H A 36 LEU O 1.0 1.7 2.3 44 44 A 36 LEU O A 76 LEU N 1.0 2.7 3.3 45 45 A 78 ALA H A 34 VAL O 1.0 1.7 2.3 46 46 A 34 VAL O A 78 ALA N 1.0 2.7 3.3 47 47 A 79 ARG H A 65 GLU O 1.0 1.7 2.3 48 48 A 65 GLU O A 79 ARG N 1.0 2.7 3.3 49 49 A 80 PHE H A 32 ALA O 1.0 1.7 2.3 50 50 A 32 ALA O A 80 PHE N 1.0 2.7 3.3 51 51 A 81 LYS H A 63 GLU O 1.0 1.7 2.3 52 52 A 63 GLU O A 81 LYS N 1.0 2.7 3.3 53 53 A 82 PHE H A 30 ASP O 1.0 1.7 2.3 54 54 A 30 ASP O A 82 PHE N 1.0 2.7 3.3 55 55 A 89 LEU H A 85 SER O 1.0 1.7 2.3 56 56 A 85 SER O A 89 LEU N 1.0 2.7 3.3 57 57 A 90 ILE H A 86 ALA O 1.0 1.7 2.3 58 58 A 86 ALA O A 90 ILE N 1.0 2.7 3.3 59 59 A 91 PHE H A 87 GLU O 1.0 1.7 2.3 60 60 A 87 GLU O A 91 PHE N 1.0 2.7 3.3 61 61 A 92 GLU H A 88 LYS O 1.0 1.7 2.3 62 62 A 88 LYS O A 92 GLU N 1.0 2.7 3.3 63 63 A 93 LEU H A 89 LEU O 1.0 1.7 2.3 64 64 A 89 LEU O A 93 LEU N 1.0 2.7 3.3 65 65 A 94 LYS H A 90 ILE O 1.0 1.7 2.3 66 66 A 90 ILE O A 94 LYS N 1.0 2.7 3.3 67 67 A 95 THR H A 91 PHE O 1.0 1.7 2.3 68 68 A 91 PHE O A 95 THR N 1.0 2.7 3.3 69 69 A 96 ARG H A 92 GLU O 1.0 1.7 2.3 70 70 A 92 GLU O A 96 ARG N 1.0 2.7 3.3 71 71 A 97 ALA H A 93 LEU O 1.0 1.7 2.3 72 72 A 93 LEU O A 97 ALA N 1.0 2.7 3.3 73 73 A 98 LEU H A 94 LYS O 1.0 1.7 2.3 74 74 A 94 LYS O A 98 LEU N 1.0 2.7 3.3 75 75 A 99 ALA H A 95 THR O 1.0 1.7 2.3 76 76 A 95 THR O A 99 ALA N 1.0 2.7 3.3 77 77 A 100 ARG H A 96 ARG O 1.0 1.7 2.3 78 78 A 96 ARG O A 100 ARG N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 30 ASP C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -144.58 -84.58 PHI 2 2 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ALA N 1.0 101.32 161.32 PSI 3 3 A 31 VAL C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -146.02 -86.02 PHI 4 4 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 GLU N 1.0 96.84 156.84 PSI 5 5 A 32 ALA C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -147.55 -87.55 PHI 6 6 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 VAL N 1.0 92.87 152.87 PSI 7 7 A 33 GLU C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -154.65 -94.65 PHI 8 8 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 SER N 1.0 103.69 163.69 PSI 9 9 A 35 SER C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -158.64 -98.64 PHI 10 10 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 PHE N 1.0 121.54 181.54 PSI 11 11 A 36 LEU C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -153.12 -93.12 PHI 12 12 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 GLY N 1.0 111.94 171.94 PSI 13 13 A 40 ASP C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -84.88 -24.88 PHI 14 14 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 ALA N 1.0 -79.80 -19.80 PSI 15 15 A 41 LYS C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -93.19 -33.19 PHI 16 16 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 HIS N 1.0 -71.79 -11.79 PSI 17 17 A 42 ALA C A 43 HIS N A 43 HIS CA A 43 HIS C 1.0 -95.81 -35.81 PHI 18 18 A 43 HIS N A 43 HIS CA A 43 HIS C A 44 LEU N 1.0 -72.36 -12.36 PSI 19 19 A 43 HIS C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -93.76 -33.76 PHI 20 20 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 GLU N 1.0 -70.88 -10.88 PSI 21 21 A 44 LEU C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -93.66 -33.66 PHI 22 22 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLY N 1.0 -69.59 -9.59 PSI 23 23 A 45 GLU C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 -98.09 -38.09 PHI 24 24 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 LYS N 1.0 -68.33 -8.33 PSI 25 25 A 46 GLY C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -97.05 -37.05 PHI 26 26 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 LEU N 1.0 -68.82 -8.82 PSI 27 27 A 47 LYS C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -92.06 -32.06 PHI 28 28 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 ALA N 1.0 -74.07 -14.07 PSI 29 29 A 48 LEU C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -92.61 -32.61 PHI 30 30 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 GLU N 1.0 -70.01 -10.01 PSI 31 31 A 49 ALA C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -96.16 -36.16 PHI 32 32 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 TYR N 1.0 -73.91 -13.91 PSI 33 33 A 50 GLU C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -95.89 -35.89 PHI 34 34 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 ILE N 1.0 -72.94 -12.94 PSI 35 35 A 51 TYR C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -93.77 -33.77 PHI 36 36 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 SER N 1.0 -75.22 -15.22 PSI 37 37 A 52 ILE C A 53 SER N A 53 SER CA A 53 SER C 1.0 -92.05 -32.05 PHI 38 38 A 53 SER N A 53 SER CA A 53 SER C A 54 LEU N 1.0 -71.31 -11.31 PSI 39 39 A 53 SER C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -95.70 -35.70 PHI 40 40 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 ALA N 1.0 -73.72 -13.72 PSI 41 41 A 54 LEU C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -91.55 -31.55 PHI 42 42 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 LYS N 1.0 -72.91 -12.91 PSI 43 43 A 55 ALA C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -89.82 -29.82 PHI 44 44 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 GLN N 1.0 -69.77 -9.77 PSI 45 45 A 56 LYS C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -90.41 -30.41 PHI 46 46 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 VAL N 1.0 -73.33 -13.33 PSI 47 47 A 57 GLN C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -104.50 -44.50 PHI 48 48 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 TYR N 1.0 -60.65 -0.65 PSI 49 49 A 61 ASN C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -126.20 -66.20 PHI 50 50 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 GLU N 1.0 92.60 152.60 PSI 51 51 A 62 VAL C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -145.91 -85.91 PHI 52 52 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 TYR N 1.0 111.90 171.90 PSI 53 53 A 63 GLU C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -160.40 -100.40 PHI 54 54 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 GLU N 1.0 112.84 172.84 PSI 55 55 A 64 TYR C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -166.08 -106.08 PHI 56 56 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 VAL N 1.0 99.00 159.00 PSI 57 57 A 65 GLU C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -142.04 -82.04 PHI 58 58 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 ALA N 1.0 89.92 149.92 PSI 59 59 A 66 VAL C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -108.69 -48.69 PHI 60 60 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 PRO N 1.0 109.11 169.11 PSI 61 61 A 68 PRO C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -143.97 -83.97 PHI 62 62 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 ALA N 1.0 100.45 160.45 PSI 63 63 A 71 ASP C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -124.31 -64.31 PHI 64 64 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 ALA N 1.0 -32.65 27.35 PSI 65 65 A 74 THR C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -165.11 -105.11 PHI 66 66 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 LEU N 1.0 119.91 179.91 PSI 67 67 A 75 GLU C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -166.91 -106.91 PHI 68 68 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 HIS N 1.0 107.19 167.19 PSI 69 69 A 76 LEU C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -139.10 -79.10 PHI 70 70 A 77 HIS N A 77 HIS CA A 77 HIS C A 78 ALA N 1.0 99.32 159.32 PSI 71 71 A 77 HIS C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -158.41 -98.41 PHI 72 72 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ARG N 1.0 117.76 177.76 PSI 73 73 A 78 ALA C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -163.74 -103.74 PHI 74 74 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 PHE N 1.0 112.74 172.74 PSI 75 75 A 79 ARG C A 80 PHE N A 80 PHE CA A 80 PHE C 1.0 -172.40 -112.40 PHI 76 76 A 80 PHE N A 80 PHE CA A 80 PHE C A 81 LYS N 1.0 106.70 166.70 PSI 77 77 A 80 PHE C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -147.27 -87.27 PHI 78 78 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 PHE N 1.0 94.82 154.82 PSI 79 79 A 84 VAL C A 85 SER N A 85 SER CA A 85 SER C 1.0 -95.34 -35.34 PHI 80 80 A 85 SER N A 85 SER CA A 85 SER C A 86 ALA N 1.0 -67.47 -7.47 PSI 81 81 A 85 SER C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -94.57 -34.57 PHI 82 82 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 GLU N 1.0 -68.49 -8.49 PSI 83 83 A 86 ALA C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -93.68 -33.68 PHI 84 84 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 LYS N 1.0 -62.30 -2.30 PSI 85 85 A 87 GLU C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -89.96 -29.96 PHI 86 86 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 LEU N 1.0 -77.56 -17.56 PSI 87 87 A 88 LYS C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -95.92 -35.92 PHI 88 88 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ILE N 1.0 -70.07 -10.07 PSI 89 89 A 89 LEU C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -93.81 -33.81 PHI 90 90 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 PHE N 1.0 -73.04 -13.04 PSI 91 91 A 90 ILE C A 91 PHE N A 91 PHE CA A 91 PHE C 1.0 -91.80 -31.80 PHI 92 92 A 91 PHE N A 91 PHE CA A 91 PHE C A 92 GLU N 1.0 -68.94 -8.94 PSI 93 93 A 91 PHE C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -94.08 -34.08 PHI 94 94 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 LEU N 1.0 -74.34 -14.34 PSI 95 95 A 92 GLU C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -94.83 -34.83 PHI 96 96 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 LYS N 1.0 -75.41 -15.41 PSI 97 97 A 93 LEU C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -91.50 -31.50 PHI 98 98 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 THR N 1.0 -71.91 -11.91 PSI 99 99 A 94 LYS C A 95 THR N A 95 THR CA A 95 THR C 1.0 -95.96 -35.96 PHI 100 100 A 95 THR N A 95 THR CA A 95 THR C A 96 ARG N 1.0 -65.80 -5.80 PSI 101 101 A 95 THR C A 96 ARG N A 96 ARG CA A 96 ARG C 1.0 -92.67 -32.67 PHI 102 102 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 ALA N 1.0 -74.00 -14.00 PSI 103 103 A 96 ARG C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -92.80 -32.80 PHI 104 104 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 LEU N 1.0 -70.65 -10.65 PSI 105 105 A 97 ALA C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -90.57 -30.57 PHI 106 106 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 ALA N 1.0 -69.65 -9.65 PSI 107 107 A 98 LEU C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -93.61 -33.61 PHI 108 108 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 ARG N 1.0 -67.30 -7.30 PSI 109 109 A 99 ALA C A 100 ARG N A 100 ARG CA A 100 ARG C 1.0 -98.45 -38.45 PHI 110 110 A 100 ARG N A 100 ARG CA A 100 ARG C A 101 LEU N 1.0 -56.99 3.01 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2500.0 2 1H 8620.7 3 1H 12755.1 stop_ save_ save_Cnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14705.9 2 1H 8926.1 3 1H 12755.1 stop_ save_