data_nef_c18468_2lte 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 GLY middle . false 3 A 3 SER middle . . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 ASP middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 SER middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 ARG middle . . 15 A 15 GLU middle . . 16 A 16 ASN middle . . 17 A 17 LEU middle . . 18 A 18 TYR middle . . 19 A 19 PHE middle . . 20 A 20 GLN middle . . 21 A 21 GLY middle . false 22 A 22 HIS middle . . 23 A 23 MET middle . . 24 A 24 PRO middle . false 25 A 25 ASN middle . . 26 A 26 ASP middle . . 27 A 27 MET middle . . 28 A 28 GLU middle . . 29 A 29 ASP middle . . 30 A 30 HIS middle . . 31 A 31 LEU middle . . 32 A 32 LEU middle . . 33 A 33 THR middle . . 34 A 34 VAL middle . . 35 A 35 LEU middle . . 36 A 36 SER middle . . 37 A 37 VAL middle . . 38 A 38 ALA middle . . 39 A 39 SER middle . . 40 A 40 GLY middle . false 41 A 41 VAL middle . . 42 A 42 PRO middle . false 43 A 43 LYS middle . . 44 A 44 GLU middle . . 45 A 45 GLU middle . . 46 A 46 ILE middle . . 47 A 47 SER middle . . 48 A 48 ARG middle . . 49 A 49 ASP middle . . 50 A 50 SER middle . . 51 A 51 ARG middle . . 52 A 52 MET middle . . 53 A 53 GLU middle . . 54 A 54 ASP middle . . 55 A 55 LEU middle . . 56 A 56 ALA middle . . 57 A 57 PHE middle . . 58 A 58 ASP middle . . 59 A 59 SER middle . . 60 A 60 LEU middle . . 61 A 61 VAL middle . . 62 A 62 VAL middle . . 63 A 63 SER middle . . 64 A 64 GLU middle . . 65 A 65 LEU middle . . 66 A 66 SER middle . . 67 A 67 LEU middle . . 68 A 68 LYS middle . . 69 A 69 LEU middle . . 70 A 70 ARG middle . . 71 A 71 LYS middle . . 72 A 72 GLU middle . . 73 A 73 PHE middle . . 74 A 74 GLY middle . false 75 A 75 VAL middle . . 76 A 76 THR middle . . 77 A 77 GLY middle . false 78 A 78 VAL middle . . 79 A 79 ASP middle . . 80 A 80 ASP middle . . 81 A 81 GLU middle . . 82 A 82 LEU middle . . 83 A 83 ASP middle . . 84 A 84 LEU middle . . 85 A 85 LEU middle . . 86 A 86 GLU middle . . 87 A 87 THR middle . . 88 A 88 VAL middle . . 89 A 89 ASP middle . . 90 A 90 GLU middle . . 91 A 91 LEU middle . . 92 A 92 PHE middle . . 93 A 93 GLN middle . . 94 A 94 LEU middle . . 95 A 95 VAL middle . . 96 A 96 GLU middle . . 97 A 97 LYS middle . . 98 A 98 HIS middle . . 99 A 99 ARG middle . . 100 A 100 ALA middle . . 101 A 101 ALA middle . . 102 A 102 GLY middle . false 103 A 103 SER 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 14 ARG HA H 1 4.35 0.02 A 14 ARG HBy H 1 1.91 0.02 A 14 ARG HBx H 1 1.78 0.02 A 14 ARG HDx H 1 3.20 0.02 A 14 ARG HDy H 1 3.20 0.02 A 14 ARG HGx H 1 1.64 0.02 A 14 ARG HGy H 1 1.64 0.02 A 14 ARG CA C 13 56.3 0.2 A 14 ARG CB C 13 30.7 0.2 A 14 ARG CD C 13 43.3 0.2 A 14 ARG CG C 13 27.1 0.2 A 15 GLU HA H 1 4.24 0.02 A 15 GLU HBx H 1 2.06 0.02 A 15 GLU HBy H 1 2.06 0.02 A 15 GLU HGx H 1 2.29 0.02 A 15 GLU HGy H 1 2.29 0.02 A 15 GLU CA C 13 57.1 0.2 A 15 GLU CB C 13 29.9 0.2 A 15 GLU CG C 13 36.0 0.2 A 16 ASN C C 13 175.1 0.2 A 17 LEU HA H 1 4.24 0.02 A 17 LEU HBy H 1 1.50 0.02 A 17 LEU HBx H 1 1.37 0.02 A 17 LEU HD1% H 1 0.88 0.02 A 17 LEU HD2% H 1 0.82 0.02 A 17 LEU HG H 1 1.49 0.02 A 17 LEU C C 13 177.0 0.2 A 17 LEU CA C 13 55.5 0.2 A 17 LEU CB C 13 42.2 0.2 A 17 LEU CD1 C 13 24.9 0.2 A 17 LEU CD2 C 13 23.4 0.2 A 17 LEU CG C 13 26.9 0.2 A 18 TYR HA H 1 4.55 0.02 A 18 TYR HBy H 1 2.99 0.02 A 18 TYR HBx H 1 2.88 0.02 A 18 TYR HDx H 1 7.03 0.02 A 18 TYR HDy H 1 7.03 0.02 A 18 TYR HEx H 1 6.81 0.02 A 18 TYR HEy H 1 6.81 0.02 A 18 TYR C C 13 175.6 0.2 A 18 TYR CA C 13 57.8 0.2 A 18 TYR CB C 13 38.6 0.2 A 18 TYR CDx C 13 133.1 0.2 A 18 TYR CDy C 13 133.1 0.2 A 18 TYR CEx C 13 118.3 0.2 A 18 TYR CEy C 13 118.3 0.2 A 19 PHE HBx H 1 3.0 0.02 A 19 PHE HBy H 1 3.03 0.02 A 19 PHE CA C 13 57.8 0.2 A 20 GLN HA H 1 4.26 0.02 A 20 GLN HBy H 1 2.11 0.02 A 20 GLN HBx H 1 1.94 0.02 A 20 GLN HE21 H 1 6.89 0.02 A 20 GLN HE22 H 1 7.49 0.02 A 20 GLN HGx H 1 2.29 0.02 A 20 GLN HGy H 1 2.29 0.02 A 20 GLN CA C 13 56.0 0.2 A 20 GLN CB C 13 29.2 0.2 A 20 GLN CG C 13 33.8 0.2 A 20 GLN NE2 N 15 112.5 0.2 A 23 MET HA H 1 4.74 0.02 A 23 MET CA C 13 53.2 0.2 A 24 PRO HA H 1 4.44 0.02 A 24 PRO HBx H 1 1.96 0.02 A 24 PRO HBy H 1 2.31 0.02 A 24 PRO HDy H 1 3.75 0.02 A 24 PRO HDx H 1 3.64 0.02 A 24 PRO HGx H 1 1.96 0.02 A 24 PRO HGy H 1 1.96 0.02 A 24 PRO CA C 13 63.3 0.2 A 24 PRO CB C 13 32.2 0.2 A 24 PRO CD C 13 50.6 0.2 A 24 PRO CG C 13 27.5 0.2 A 27 MET HA H 1 4.35 0.02 A 27 MET HBy H 1 2.27 0.02 A 27 MET HBx H 1 2.15 0.02 A 27 MET HE% H 1 1.98 0.02 A 27 MET HGy H 1 2.60 0.02 A 27 MET HGx H 1 2.52 0.02 A 27 MET C C 13 177.7 0.2 A 27 MET CA C 13 58.9 0.2 A 27 MET CB C 13 32.8 0.2 A 27 MET CE C 13 17.5 0.2 A 27 MET CG C 13 32.4 0.2 A 28 GLU H H 1 8.36 0.02 A 28 GLU HA H 1 3.81 0.02 A 28 GLU HBy H 1 2.11 0.02 A 28 GLU HBx H 1 1.94 0.02 A 28 GLU HGy H 1 2.17 0.02 A 28 GLU HGx H 1 1.78 0.02 A 28 GLU C C 13 178.0 0.2 A 28 GLU CA C 13 60.2 0.2 A 28 GLU CB C 13 29.4 0.2 A 28 GLU CG C 13 36.7 0.2 A 28 GLU N N 15 119.5 0.2 A 29 ASP H H 1 8.26 0.02 A 29 ASP HA H 1 4.48 0.02 A 29 ASP HBy H 1 2.82 0.02 A 29 ASP HBx H 1 2.70 0.02 A 29 ASP C C 13 179.1 0.2 A 29 ASP CA C 13 57.9 0.2 A 29 ASP CB C 13 42.2 0.2 A 29 ASP N N 15 117.8 0.2 A 30 HIS H H 1 8.36 0.02 A 30 HIS HA H 1 4.62 0.02 A 30 HIS HBy H 1 3.47 0.02 A 30 HIS HBx H 1 3.38 0.02 A 30 HIS C C 13 178.2 0.2 A 30 HIS CA C 13 58.6 0.2 A 30 HIS CB C 13 31.6 0.2 A 30 HIS N N 15 120.4 0.2 A 31 LEU H H 1 8.77 0.02 A 31 LEU HA H 1 4.05 0.02 A 31 LEU HBy H 1 1.62 0.02 A 31 LEU HBx H 1 1.57 0.02 A 31 LEU HD1% H 1 0.51 0.02 A 31 LEU HD2% H 1 0.17 0.02 A 31 LEU HG H 1 1.40 0.02 A 31 LEU C C 13 178.7 0.2 A 31 LEU CA C 13 58.1 0.2 A 31 LEU CB C 13 41.3 0.2 A 31 LEU CD1 C 13 24.3 0.2 A 31 LEU CD2 C 13 24.4 0.2 A 31 LEU CG C 13 27.1 0.2 A 31 LEU N N 15 120.5 0.2 A 32 LEU H H 1 8.64 0.02 A 32 LEU HA H 1 4.08 0.02 A 32 LEU HBy H 1 2.16 0.02 A 32 LEU HBx H 1 1.51 0.02 A 32 LEU HD1% H 1 0.89 0.02 A 32 LEU HD2% H 1 1.08 0.02 A 32 LEU HG H 1 2.13 0.02 A 32 LEU C C 13 179.3 0.2 A 32 LEU CA C 13 58.6 0.2 A 32 LEU CB C 13 41.8 0.2 A 32 LEU CD1 C 13 23.3 0.2 A 32 LEU CD2 C 13 25.4 0.2 A 32 LEU CG C 13 27.3 0.2 A 32 LEU N N 15 118.7 0.2 A 33 THR H H 1 8.31 0.02 A 33 THR HA H 1 4.69 0.02 A 33 THR HB H 1 3.87 0.02 A 33 THR HG2% H 1 1.32 0.02 A 33 THR C C 13 176.0 0.2 A 33 THR CA C 13 68.5 0.2 A 33 THR CB C 13 68.0 0.2 A 33 THR CG2 C 13 21.6 0.2 A 33 THR N N 15 117.5 0.2 A 34 VAL H H 1 8.30 0.02 A 34 VAL HA H 1 3.71 0.02 A 34 VAL HB H 1 2.37 0.02 A 34 VAL HG1% H 1 0.94 0.02 A 34 VAL HG2% H 1 1.14 0.02 A 34 VAL C C 13 178.6 0.2 A 34 VAL CA C 13 66.5 0.2 A 34 VAL CB C 13 31.5 0.2 A 34 VAL CG1 C 13 21.3 0.2 A 34 VAL CG2 C 13 23.2 0.2 A 34 VAL N N 15 121.3 0.2 A 35 LEU H H 1 8.51 0.02 A 35 LEU HA H 1 4.04 0.02 A 35 LEU HBy H 1 1.86 0.02 A 35 LEU HBx H 1 1.61 0.02 A 35 LEU HD1% H 1 0.92 0.02 A 35 LEU HD2% H 1 0.87 0.02 A 35 LEU HG H 1 1.75 0.02 A 35 LEU C C 13 179.7 0.2 A 35 LEU CA C 13 57.9 0.2 A 35 LEU CB C 13 42.6 0.2 A 35 LEU CD1 C 13 25.4 0.2 A 35 LEU CD2 C 13 24.7 0.2 A 35 LEU CG C 13 26.9 0.2 A 35 LEU N N 15 119.2 0.2 A 36 SER H H 1 8.59 0.02 A 36 SER HA H 1 4.45 0.02 A 36 SER HBy H 1 4.22 0.02 A 36 SER HBx H 1 4.03 0.02 A 36 SER HG H 1 5.92 0.02 A 36 SER C C 13 177.4 0.2 A 36 SER CA C 13 60.6 0.2 A 36 SER CB C 13 63.6 0.2 A 36 SER N N 15 118.1 0.2 A 37 VAL H H 1 8.65 0.02 A 37 VAL HA H 1 3.74 0.02 A 37 VAL HB H 1 2.18 0.02 A 37 VAL HG1% H 1 1.02 0.02 A 37 VAL HG2% H 1 1.17 0.02 A 37 VAL C C 13 179.0 0.2 A 37 VAL CA C 13 65.9 0.2 A 37 VAL CB C 13 31.8 0.2 A 37 VAL CG1 C 13 21.3 0.2 A 37 VAL CG2 C 13 22.9 0.2 A 37 VAL N N 15 121.1 0.2 A 38 ALA H H 1 8.22 0.02 A 38 ALA HA H 1 4.24 0.02 A 38 ALA HB% H 1 1.44 0.02 A 38 ALA C C 13 178.1 0.2 A 38 ALA CA C 13 54.6 0.2 A 38 ALA CB C 13 18.5 0.2 A 38 ALA N N 15 119.4 0.2 A 39 SER H H 1 8.07 0.02 A 39 SER HA H 1 4.45 0.02 A 39 SER HBy H 1 4.35 0.02 A 39 SER HBx H 1 3.87 0.02 A 39 SER HG H 1 4.97 0.02 A 39 SER C C 13 175.9 0.2 A 39 SER CA C 13 59.7 0.2 A 39 SER CB C 13 66.6 0.2 A 39 SER N N 15 108.3 0.2 A 40 GLY H H 1 8.29 0.02 A 40 GLY HAy H 1 4.28 0.02 A 40 GLY HAx H 1 3.87 0.02 A 40 GLY C C 13 173.9 0.2 A 40 GLY CA C 13 45.9 0.2 A 40 GLY N N 15 112.8 0.2 A 41 VAL H H 1 8.06 0.02 A 41 VAL HA H 1 4.36 0.02 A 41 VAL HB H 1 2.02 0.02 A 41 VAL HG1% H 1 1.00 0.02 A 41 VAL HG2% H 1 0.99 0.02 A 41 VAL CA C 13 60.1 0.2 A 41 VAL CB C 13 33.6 0.2 A 41 VAL CG1 C 13 20.6 0.2 A 41 VAL CG2 C 13 21.9 0.2 A 41 VAL N N 15 125.3 0.2 A 42 PRO HA H 1 4.26 0.02 A 42 PRO HBx H 1 1.81 0.02 A 42 PRO HBy H 1 2.50 0.02 A 42 PRO HDy H 1 4.03 0.02 A 42 PRO HDx H 1 3.62 0.02 A 42 PRO HGy H 1 2.12 0.02 A 42 PRO HGx H 1 2.02 0.02 A 42 PRO C C 13 177.2 0.2 A 42 PRO CA C 13 63.3 0.2 A 42 PRO CB C 13 32.7 0.2 A 42 PRO CD C 13 51.5 0.2 A 42 PRO CG C 13 27.9 0.2 A 43 LYS H H 1 8.53 0.02 A 43 LYS HA H 1 3.74 0.02 A 43 LYS HBy H 1 1.90 0.02 A 43 LYS HBx H 1 1.86 0.02 A 43 LYS HDy H 1 1.79 0.02 A 43 LYS HDx H 1 1.72 0.02 A 43 LYS HEy H 1 3.02 0.02 A 43 LYS HEx H 1 2.97 0.02 A 43 LYS HGx H 1 1.46 0.02 A 43 LYS HGy H 1 1.46 0.02 A 43 LYS C C 13 178.2 0.2 A 43 LYS CA C 13 60.5 0.2 A 43 LYS CB C 13 32.9 0.2 A 43 LYS CD C 13 30.1 0.2 A 43 LYS CE C 13 42.0 0.2 A 43 LYS CG C 13 24.9 0.2 A 43 LYS N N 15 125.3 0.2 A 44 GLU H H 1 9.25 0.02 A 44 GLU HA H 1 4.22 0.02 A 44 GLU HBx H 1 2.11 0.02 A 44 GLU HBy H 1 2.11 0.02 A 44 GLU HGx H 1 2.37 0.02 A 44 GLU HGy H 1 2.37 0.02 A 44 GLU C C 13 177.3 0.2 A 44 GLU CA C 13 58.6 0.2 A 44 GLU CB C 13 28.6 0.2 A 44 GLU CG C 13 36.3 0.2 A 44 GLU N N 15 114.6 0.2 A 45 GLU H H 1 8.03 0.02 A 45 GLU HA H 1 4.37 0.02 A 45 GLU HBy H 1 2.31 0.02 A 45 GLU HBx H 1 1.91 0.02 A 45 GLU HGx H 1 2.21 0.02 A 45 GLU HGy H 1 2.21 0.02 A 45 GLU C C 13 175.7 0.2 A 45 GLU CA C 13 55.9 0.2 A 45 GLU CB C 13 29.8 0.2 A 45 GLU CG C 13 36.8 0.2 A 45 GLU N N 15 117.6 0.2 A 46 ILE H H 1 7.69 0.02 A 46 ILE HA H 1 4.16 0.02 A 46 ILE HB H 1 1.89 0.02 A 46 ILE HD1% H 1 0.79 0.02 A 46 ILE HG1y H 1 1.93 0.02 A 46 ILE HG1x H 1 0.69 0.02 A 46 ILE HG2% H 1 0.92 0.02 A 46 ILE C C 13 174.1 0.2 A 46 ILE CA C 13 61.7 0.2 A 46 ILE CB C 13 39.1 0.2 A 46 ILE CD1 C 13 13.5 0.2 A 46 ILE CG1 C 13 26.9 0.2 A 46 ILE CG2 C 13 19.2 0.2 A 46 ILE N N 15 121.6 0.2 A 47 SER H H 1 8.83 0.02 A 47 SER HA H 1 4.88 0.02 A 47 SER HBy H 1 4.15 0.02 A 47 SER HBx H 1 3.87 0.02 A 47 SER C C 13 175.5 0.2 A 47 SER CA C 13 56.2 0.2 A 47 SER CB C 13 66.6 0.2 A 47 SER N N 15 121.2 0.2 A 48 ARG H H 1 8.98 0.02 A 48 ARG HA H 1 3.75 0.02 A 48 ARG HBy H 1 1.86 0.02 A 48 ARG HBx H 1 1.76 0.02 A 48 ARG HDy H 1 3.04 0.02 A 48 ARG HDx H 1 2.99 0.02 A 48 ARG HGy H 1 1.60 0.02 A 48 ARG HGx H 1 1.37 0.02 A 48 ARG C C 13 175.7 0.2 A 48 ARG CA C 13 59.2 0.2 A 48 ARG CB C 13 29.8 0.2 A 48 ARG CD C 13 43.0 0.2 A 48 ARG CG C 13 29.1 0.2 A 48 ARG N N 15 120.5 0.2 A 49 ASP H H 1 7.90 0.02 A 49 ASP HA H 1 4.74 0.02 A 49 ASP HBy H 1 2.77 0.02 A 49 ASP HBx H 1 2.55 0.02 A 49 ASP C C 13 176.9 0.2 A 49 ASP CA C 13 53.8 0.2 A 49 ASP CB C 13 41.2 0.2 A 49 ASP N N 15 113.7 0.2 A 50 SER H H 1 7.90 0.02 A 50 SER HA H 1 4.27 0.02 A 50 SER HBy H 1 4.09 0.02 A 50 SER HBx H 1 3.93 0.02 A 50 SER C C 13 173.0 0.2 A 50 SER CA C 13 61.4 0.2 A 50 SER CB C 13 63.1 0.2 A 50 SER N N 15 118.8 0.2 A 51 ARG H H 1 9.09 0.02 A 51 ARG HA H 1 4.75 0.02 A 51 ARG HBy H 1 2.22 0.02 A 51 ARG HBx H 1 1.83 0.02 A 51 ARG HDy H 1 3.44 0.02 A 51 ARG HDx H 1 3.31 0.02 A 51 ARG HGy H 1 1.93 0.02 A 51 ARG HGx H 1 1.72 0.02 A 51 ARG C C 13 178.0 0.2 A 51 ARG CA C 13 55.3 0.2 A 51 ARG CB C 13 30.2 0.2 A 51 ARG CD C 13 42.8 0.2 A 51 ARG CG C 13 27.9 0.2 A 51 ARG N N 15 123.0 0.2 A 52 MET H H 1 8.10 0.02 A 52 MET HA H 1 3.95 0.02 A 52 MET HBx H 1 1.78 0.02 A 52 MET HBy H 1 1.78 0.02 A 52 MET HE% H 1 1.60 0.02 A 52 MET HGy H 1 1.92 0.02 A 52 MET HGx H 1 1.86 0.02 A 52 MET C C 13 179.6 0.2 A 52 MET CA C 13 57.7 0.2 A 52 MET CB C 13 30.0 0.2 A 52 MET CE C 13 16.9 0.2 A 52 MET CG C 13 33.2 0.2 A 52 MET N N 15 122.9 0.2 A 53 GLU H H 1 9.22 0.02 A 53 GLU HA H 1 4.30 0.02 A 53 GLU HBy H 1 2.18 0.02 A 53 GLU HBx H 1 2.00 0.02 A 53 GLU HGx H 1 2.30 0.02 A 53 GLU HGy H 1 2.30 0.02 A 53 GLU C C 13 177.8 0.2 A 53 GLU CA C 13 58.4 0.2 A 53 GLU CB C 13 29.1 0.2 A 53 GLU CG C 13 35.6 0.2 A 53 GLU N N 15 118.0 0.2 A 54 ASP H H 1 7.34 0.02 A 54 ASP HA H 1 4.74 0.02 A 54 ASP HBx H 1 2.94 0.02 A 54 ASP HBy H 1 2.94 0.02 A 54 ASP C C 13 176.5 0.2 A 54 ASP CA C 13 55.9 0.2 A 54 ASP CB C 13 40.6 0.2 A 54 ASP N N 15 118.8 0.2 A 55 LEU H H 1 7.54 0.02 A 55 LEU HA H 1 4.45 0.02 A 55 LEU HBy H 1 1.78 0.02 A 55 LEU HBx H 1 1.65 0.02 A 55 LEU HD1% H 1 0.84 0.02 A 55 LEU HD2% H 1 0.88 0.02 A 55 LEU HG H 1 1.79 0.02 A 55 LEU C C 13 176.9 0.2 A 55 LEU CA C 13 54.8 0.2 A 55 LEU CB C 13 42.4 0.2 A 55 LEU CD1 C 13 26.6 0.2 A 55 LEU CD2 C 13 23.5 0.2 A 55 LEU CG C 13 26.9 0.2 A 55 LEU N N 15 120.1 0.2 A 56 ALA H H 1 7.90 0.02 A 56 ALA HA H 1 4.20 0.02 A 56 ALA HB% H 1 1.35 0.02 A 56 ALA C C 13 176.6 0.2 A 56 ALA CA C 13 51.8 0.2 A 56 ALA CB C 13 16.8 0.2 A 56 ALA N N 15 118.8 0.2 A 57 PHE H H 1 7.49 0.02 A 57 PHE HA H 1 4.29 0.02 A 57 PHE HBy H 1 3.08 0.02 A 57 PHE HBx H 1 3.03 0.02 A 57 PHE HDx H 1 7.23 0.02 A 57 PHE HDy H 1 7.23 0.02 A 57 PHE HEx H 1 7.26 0.02 A 57 PHE HEy H 1 7.26 0.02 A 57 PHE HZ H 1 7.18 0.02 A 57 PHE C C 13 175.3 0.2 A 57 PHE CA C 13 59.0 0.2 A 57 PHE CB C 13 39.5 0.2 A 57 PHE CDx C 13 132.0 0.2 A 57 PHE CDy C 13 132.0 0.2 A 57 PHE CEx C 13 131.1 0.2 A 57 PHE CEy C 13 131.1 0.2 A 57 PHE CZ C 13 129.6 0.2 A 57 PHE N N 15 118.2 0.2 A 58 ASP H H 1 7.43 0.02 A 58 ASP HA H 1 4.70 0.02 A 58 ASP HBy H 1 3.05 0.02 A 58 ASP HBx H 1 2.83 0.02 A 58 ASP CA C 13 53.1 0.2 A 58 ASP CB C 13 42.2 0.2 A 58 ASP N N 15 121.1 0.2 A 59 SER H H 1 7.94 0.02 A 59 SER HA H 1 4.19 0.02 A 59 SER HBx H 1 3.97 0.02 A 59 SER HBy H 1 3.97 0.02 A 59 SER C C 13 176.3 0.2 A 59 SER CA C 13 61.3 0.2 A 59 SER CB C 13 63.0 0.2 A 60 LEU H H 1 8.08 0.02 A 60 LEU HA H 1 4.28 0.02 A 60 LEU HBy H 1 1.92 0.02 A 60 LEU HBx H 1 1.73 0.02 A 60 LEU HD1% H 1 0.89 0.02 A 60 LEU HD2% H 1 0.93 0.02 A 60 LEU HG H 1 1.71 0.02 A 60 LEU C C 13 179.5 0.2 A 60 LEU CA C 13 57.6 0.2 A 60 LEU CB C 13 41.1 0.2 A 60 LEU CD1 C 13 21.7 0.2 A 60 LEU CD2 C 13 23.9 0.2 A 60 LEU CG C 13 27.3 0.2 A 60 LEU N N 15 124.4 0.2 A 61 VAL H H 1 7.97 0.02 A 61 VAL HA H 1 3.69 0.02 A 61 VAL HB H 1 1.92 0.02 A 61 VAL HG1% H 1 0.67 0.02 A 61 VAL HG2% H 1 1.11 0.02 A 61 VAL CA C 13 65.9 0.2 A 61 VAL CB C 13 32.1 0.2 A 61 VAL CG1 C 13 21.1 0.2 A 61 VAL CG2 C 13 22.2 0.2 A 61 VAL N N 15 121.6 0.2 A 62 VAL H H 1 7.98 0.02 A 62 VAL HA H 1 3.34 0.02 A 62 VAL HB H 1 2.02 0.02 A 62 VAL HG1% H 1 0.91 0.02 A 62 VAL HG2% H 1 0.86 0.02 A 62 VAL C C 13 177.6 0.2 A 62 VAL CA C 13 67.4 0.2 A 62 VAL CB C 13 31.4 0.2 A 62 VAL CG1 C 13 21.6 0.2 A 62 VAL CG2 C 13 23.6 0.2 A 62 VAL N N 15 119.4 0.2 A 63 SER H H 1 7.93 0.02 A 63 SER HA H 1 4.26 0.02 A 63 SER HBx H 1 4.04 0.02 A 63 SER HBy H 1 4.04 0.02 A 63 SER C C 13 177.2 0.2 A 63 SER CA C 13 61.7 0.2 A 63 SER CB C 13 62.6 0.2 A 63 SER N N 15 114.9 0.2 A 64 GLU H H 1 7.89 0.02 A 64 GLU HA H 1 4.25 0.02 A 64 GLU HBy H 1 2.23 0.02 A 64 GLU HBx H 1 2.09 0.02 A 64 GLU HGx H 1 2.35 0.02 A 64 GLU HGy H 1 2.35 0.02 A 64 GLU C C 13 179.0 0.2 A 64 GLU CA C 13 59.0 0.2 A 64 GLU CB C 13 29.4 0.2 A 64 GLU CG C 13 35.9 0.2 A 64 GLU N N 15 123.0 0.2 A 65 LEU H H 1 8.69 0.02 A 65 LEU HA H 1 3.92 0.02 A 65 LEU HBy H 1 1.82 0.02 A 65 LEU HBx H 1 1.59 0.02 A 65 LEU HD1% H 1 0.80 0.02 A 65 LEU HD2% H 1 0.83 0.02 A 65 LEU HG H 1 1.64 0.02 A 65 LEU C C 13 178.0 0.2 A 65 LEU CA C 13 57.9 0.2 A 65 LEU CB C 13 42.0 0.2 A 65 LEU CD1 C 13 24.0 0.2 A 65 LEU CD2 C 13 25.3 0.2 A 65 LEU CG C 13 26.9 0.2 A 65 LEU N N 15 120.3 0.2 A 66 SER H H 1 8.74 0.02 A 66 SER HA H 1 3.84 0.02 A 66 SER HBy H 1 4.03 0.02 A 66 SER HBx H 1 3.92 0.02 A 66 SER C C 13 178.3 0.2 A 66 SER CA C 13 61.6 0.2 A 66 SER CB C 13 62.5 0.2 A 66 SER N N 15 113.1 0.2 A 67 LEU H H 1 7.72 0.02 A 67 LEU HA H 1 4.23 0.02 A 67 LEU HBx H 1 1.92 0.02 A 67 LEU HBy H 1 1.92 0.02 A 67 LEU HDx% H 1 1.01 0.02 A 67 LEU HDy% H 1 1.01 0.02 A 67 LEU HG H 1 1.75 0.02 A 67 LEU C C 13 179.3 0.2 A 67 LEU CA C 13 58.4 0.2 A 67 LEU CB C 13 41.9 0.2 A 67 LEU CDx C 13 24.6 0.2 A 67 LEU CDy C 13 24.6 0.2 A 67 LEU CG C 13 27.1 0.2 A 67 LEU N N 15 121.0 0.2 A 68 LYS H H 1 8.33 0.02 A 68 LYS HA H 1 4.16 0.02 A 68 LYS HBy H 1 2.08 0.02 A 68 LYS HBx H 1 1.81 0.02 A 68 LYS HDy H 1 1.81 0.02 A 68 LYS HDx H 1 1.69 0.02 A 68 LYS HEx H 1 3.05 0.02 A 68 LYS HEy H 1 3.05 0.02 A 68 LYS HGx H 1 1.70 0.02 A 68 LYS HGy H 1 1.70 0.02 A 68 LYS C C 13 179.7 0.2 A 68 LYS CA C 13 58.8 0.2 A 68 LYS CB C 13 32.8 0.2 A 68 LYS CD C 13 28.5 0.2 A 68 LYS CE C 13 42.1 0.2 A 68 LYS CG C 13 25.0 0.2 A 68 LYS N N 15 119.0 0.2 A 69 LEU H H 1 9.11 0.02 A 69 LEU HA H 1 4.26 0.02 A 69 LEU HBy H 1 2.10 0.02 A 69 LEU HBx H 1 1.38 0.02 A 69 LEU HD1% H 1 0.67 0.02 A 69 LEU HD2% H 1 0.56 0.02 A 69 LEU HG H 1 1.87 0.02 A 69 LEU C C 13 180.1 0.2 A 69 LEU CA C 13 58.4 0.2 A 69 LEU CB C 13 40.7 0.2 A 69 LEU CD1 C 13 25.9 0.2 A 69 LEU CD2 C 13 23.3 0.2 A 69 LEU CG C 13 27.2 0.2 A 69 LEU N N 15 119.4 0.2 A 70 ARG H H 1 7.85 0.02 A 70 ARG HA H 1 4.10 0.02 A 70 ARG HBy H 1 2.15 0.02 A 70 ARG HBx H 1 2.09 0.02 A 70 ARG HDx H 1 3.32 0.02 A 70 ARG HDy H 1 3.32 0.02 A 70 ARG HGx H 1 1.57 0.02 A 70 ARG HGy H 1 1.57 0.02 A 70 ARG C C 13 178.8 0.2 A 70 ARG CA C 13 59.9 0.2 A 70 ARG CB C 13 30.3 0.2 A 70 ARG CD C 13 43.8 0.2 A 70 ARG CG C 13 27.3 0.2 A 70 ARG N N 15 121.3 0.2 A 71 LYS H H 1 8.48 0.02 A 71 LYS HA H 1 4.14 0.02 A 71 LYS HBy H 1 2.01 0.02 A 71 LYS HBx H 1 1.95 0.02 A 71 LYS HDx H 1 1.75 0.02 A 71 LYS HDy H 1 1.75 0.02 A 71 LYS HEx H 1 3.02 0.02 A 71 LYS HEy H 1 3.02 0.02 A 71 LYS HGy H 1 1.66 0.02 A 71 LYS HGx H 1 1.52 0.02 A 71 LYS C C 13 178.5 0.2 A 71 LYS CA C 13 59.3 0.2 A 71 LYS CB C 13 33.6 0.2 A 71 LYS CD C 13 29.0 0.2 A 71 LYS CE C 13 42.1 0.2 A 71 LYS CG C 13 25.2 0.2 A 71 LYS N N 15 118.5 0.2 A 72 GLU H H 1 8.85 0.02 A 72 GLU HA H 1 4.36 0.02 A 72 GLU HBy H 1 1.80 0.02 A 72 GLU HBx H 1 1.56 0.02 A 72 GLU HGx H 1 2.20 0.02 A 72 GLU HGy H 1 2.20 0.02 A 72 GLU C C 13 177.3 0.2 A 72 GLU CA C 13 57.0 0.2 A 72 GLU CB C 13 30.1 0.2 A 72 GLU CG C 13 36.5 0.2 A 72 GLU N N 15 113.3 0.2 A 73 PHE H H 1 7.22 0.02 A 73 PHE HA H 1 4.90 0.02 A 73 PHE HBy H 1 3.31 0.02 A 73 PHE HBx H 1 3.23 0.02 A 73 PHE HDx H 1 7.26 0.02 A 73 PHE HDy H 1 7.26 0.02 A 73 PHE HEx H 1 7.02 0.02 A 73 PHE HEy H 1 7.02 0.02 A 73 PHE HZ H 1 6.63 0.02 A 73 PHE C C 13 175.7 0.2 A 73 PHE CA C 13 57.2 0.2 A 73 PHE CB C 13 41.2 0.2 A 73 PHE CDx C 13 131.9 0.2 A 73 PHE CDy C 13 131.9 0.2 A 73 PHE CEx C 13 130.6 0.2 A 73 PHE CEy C 13 130.6 0.2 A 73 PHE CZ C 13 128.9 0.2 A 73 PHE N N 15 112.1 0.2 A 74 GLY H H 1 7.57 0.02 A 74 GLY HAy H 1 4.08 0.02 A 74 GLY HAx H 1 4.03 0.02 A 74 GLY C C 13 174.1 0.2 A 74 GLY CA C 13 46.7 0.2 A 74 GLY N N 15 109.5 0.2 A 75 VAL H H 1 7.63 0.02 A 75 VAL HA H 1 4.06 0.02 A 75 VAL HB H 1 1.68 0.02 A 75 VAL HG1% H 1 0.59 0.02 A 75 VAL HG2% H 1 0.90 0.02 A 75 VAL C C 13 174.6 0.2 A 75 VAL CA C 13 61.9 0.2 A 75 VAL CB C 13 32.7 0.2 A 75 VAL CG1 C 13 21.4 0.2 A 75 VAL CG2 C 13 21.7 0.2 A 75 VAL N N 15 121.6 0.2 A 76 THR H H 1 8.28 0.02 A 76 THR HA H 1 4.59 0.02 A 76 THR HB H 1 4.15 0.02 A 76 THR HG2% H 1 1.14 0.02 A 76 THR C C 13 173.2 0.2 A 76 THR CA C 13 59.8 0.2 A 76 THR CB C 13 71.5 0.2 A 76 THR CG2 C 13 20.7 0.2 A 76 THR N N 15 118.7 0.2 A 77 GLY H H 1 8.45 0.02 A 77 GLY HAy H 1 4.08 0.02 A 77 GLY HAx H 1 4.03 0.02 A 77 GLY C C 13 176.5 0.2 A 77 GLY CA C 13 46.6 0.2 A 77 GLY N N 15 110.0 0.2 A 78 VAL H H 1 8.49 0.02 A 78 VAL HA H 1 4.81 0.02 A 78 VAL HB H 1 2.39 0.02 A 78 VAL HG1% H 1 0.36 0.02 A 78 VAL HG2% H 1 0.48 0.02 A 78 VAL C C 13 176.3 0.2 A 78 VAL CA C 13 59.8 0.2 A 78 VAL CB C 13 32.1 0.2 A 78 VAL CG1 C 13 20.4 0.2 A 78 VAL CG2 C 13 18.9 0.2 A 78 VAL N N 15 111.4 0.2 A 79 ASP H H 1 8.33 0.02 A 79 ASP HA H 1 4.14 0.02 A 79 ASP HBx H 1 2.64 0.02 A 79 ASP HBy H 1 2.64 0.02 A 79 ASP C C 13 178.1 0.2 A 79 ASP CA C 13 58.6 0.2 A 79 ASP CB C 13 39.7 0.2 A 79 ASP N N 15 122.8 0.2 A 80 ASP H H 1 8.53 0.02 A 80 ASP HA H 1 4.41 0.02 A 80 ASP HBy H 1 2.69 0.02 A 80 ASP HBx H 1 2.60 0.02 A 80 ASP C C 13 178.2 0.2 A 80 ASP CA C 13 56.6 0.2 A 80 ASP CB C 13 39.8 0.2 A 80 ASP N N 15 117.1 0.2 A 81 GLU H H 1 7.97 0.02 A 81 GLU HA H 1 4.09 0.02 A 81 GLU HBx H 1 2.04 0.02 A 81 GLU HBy H 1 2.04 0.02 A 81 GLU HGx H 1 2.31 0.02 A 81 GLU HGy H 1 2.31 0.02 A 81 GLU C C 13 180.1 0.2 A 81 GLU CA C 13 58.9 0.2 A 81 GLU CB C 13 30.0 0.2 A 81 GLU CG C 13 37.1 0.2 A 81 GLU N N 15 119.3 0.2 A 82 LEU H H 1 8.20 0.02 A 82 LEU HA H 1 3.92 0.02 A 82 LEU HBy H 1 2.02 0.02 A 82 LEU HBx H 1 1.35 0.02 A 82 LEU HD1% H 1 0.83 0.02 A 82 LEU HD2% H 1 0.68 0.02 A 82 LEU HG H 1 1.88 0.02 A 82 LEU C C 13 178.2 0.2 A 82 LEU CA C 13 57.7 0.2 A 82 LEU CB C 13 42.2 0.2 A 82 LEU CD1 C 13 25.3 0.2 A 82 LEU CD2 C 13 23.5 0.2 A 82 LEU CG C 13 26.3 0.2 A 82 LEU N N 15 119.1 0.2 A 83 ASP H H 1 7.45 0.02 A 83 ASP HA H 1 4.47 0.02 A 83 ASP HBx H 1 2.68 0.02 A 83 ASP HBy H 1 2.68 0.02 A 83 ASP C C 13 176.8 0.2 A 83 ASP CA C 13 56.2 0.2 A 83 ASP CB C 13 41.6 0.2 A 83 ASP N N 15 114.6 0.2 A 84 LEU H H 1 7.14 0.02 A 84 LEU HA H 1 4.44 0.02 A 84 LEU HBx H 1 1.75 0.02 A 84 LEU HBy H 1 1.75 0.02 A 84 LEU HD1% H 1 0.95 0.02 A 84 LEU HD2% H 1 0.89 0.02 A 84 LEU HG H 1 1.76 0.02 A 84 LEU C C 13 177.8 0.2 A 84 LEU CA C 13 54.2 0.2 A 84 LEU CB C 13 43.1 0.2 A 84 LEU CD1 C 13 25.4 0.2 A 84 LEU CD2 C 13 22.6 0.2 A 84 LEU CG C 13 26.7 0.2 A 84 LEU N N 15 115.9 0.2 A 85 LEU H H 1 7.13 0.02 A 85 LEU HA H 1 4.15 0.02 A 85 LEU HBy H 1 1.82 0.02 A 85 LEU HBx H 1 1.26 0.02 A 85 LEU HD1% H 1 0.93 0.02 A 85 LEU HD2% H 1 0.84 0.02 A 85 LEU HG H 1 2.30 0.02 A 85 LEU C C 13 177.1 0.2 A 85 LEU CA C 13 55.8 0.2 A 85 LEU CB C 13 42.8 0.2 A 85 LEU CD1 C 13 27.8 0.2 A 85 LEU CD2 C 13 23.1 0.2 A 85 LEU CG C 13 25.6 0.2 A 85 LEU N N 15 119.3 0.2 A 86 GLU H H 1 9.47 0.02 A 86 GLU HA H 1 4.55 0.02 A 86 GLU HBx H 1 2.24 0.02 A 86 GLU HBy H 1 2.24 0.02 A 86 GLU HGy H 1 2.55 0.02 A 86 GLU HGx H 1 2.29 0.02 A 86 GLU C C 13 179.1 0.2 A 86 GLU CA C 13 57.8 0.2 A 86 GLU CB C 13 32.2 0.2 A 86 GLU CG C 13 37.1 0.2 A 86 GLU N N 15 120.0 0.2 A 87 THR H H 1 7.73 0.02 A 87 THR HA H 1 5.30 0.02 A 87 THR HB H 1 4.51 0.02 A 87 THR HG2% H 1 1.21 0.02 A 87 THR C C 13 174.6 0.2 A 87 THR CA C 13 59.0 0.2 A 87 THR CB C 13 73.4 0.2 A 87 THR CG2 C 13 21.9 0.2 A 87 THR N N 15 109.5 0.2 A 88 VAL H H 1 8.34 0.02 A 88 VAL HA H 1 3.46 0.02 A 88 VAL HB H 1 2.32 0.02 A 88 VAL HG1% H 1 0.55 0.02 A 88 VAL HG2% H 1 0.85 0.02 A 88 VAL C C 13 178.2 0.2 A 88 VAL CA C 13 66.5 0.2 A 88 VAL CB C 13 30.9 0.2 A 88 VAL CG1 C 13 22.4 0.2 A 88 VAL CG2 C 13 25.2 0.2 A 88 VAL N N 15 121.7 0.2 A 89 ASP H H 1 8.54 0.02 A 89 ASP HA H 1 4.36 0.02 A 89 ASP HBy H 1 2.92 0.02 A 89 ASP HBx H 1 2.55 0.02 A 89 ASP C C 13 178.3 0.2 A 89 ASP CA C 13 58.2 0.2 A 89 ASP CB C 13 42.1 0.2 A 89 ASP N N 15 120.7 0.2 A 90 GLU H H 1 7.64 0.02 A 90 GLU HA H 1 3.97 0.02 A 90 GLU HBy H 1 2.48 0.02 A 90 GLU HBx H 1 2.16 0.02 A 90 GLU HGy H 1 2.57 0.02 A 90 GLU HGx H 1 2.30 0.02 A 90 GLU C C 13 179.9 0.2 A 90 GLU CA C 13 59.4 0.2 A 90 GLU CB C 13 30.7 0.2 A 90 GLU CG C 13 37.3 0.2 A 90 GLU N N 15 115.9 0.2 A 91 LEU H H 1 7.67 0.02 A 91 LEU HA H 1 4.17 0.02 A 91 LEU HBy H 1 2.48 0.02 A 91 LEU HBx H 1 1.42 0.02 A 91 LEU HD1% H 1 0.89 0.02 A 91 LEU HD2% H 1 0.89 0.02 A 91 LEU HG H 1 1.55 0.02 A 91 LEU C C 13 177.6 0.2 A 91 LEU CA C 13 57.7 0.2 A 91 LEU CB C 13 40.5 0.2 A 91 LEU CD1 C 13 23.3 0.2 A 91 LEU CD2 C 13 27.5 0.2 A 91 LEU CG C 13 27.4 0.2 A 91 LEU N N 15 122.3 0.2 A 92 PHE H H 1 8.32 0.02 A 92 PHE HA H 1 3.98 0.02 A 92 PHE HBy H 1 3.51 0.02 A 92 PHE HBx H 1 3.22 0.02 A 92 PHE HDx H 1 7.27 0.02 A 92 PHE HDy H 1 7.27 0.02 A 92 PHE HEx H 1 7.14 0.02 A 92 PHE HEy H 1 7.14 0.02 A 92 PHE HZ H 1 7.15 0.02 A 92 PHE C C 13 178.4 0.2 A 92 PHE CA C 13 60.8 0.2 A 92 PHE CB C 13 37.6 0.2 A 92 PHE CDx C 13 130.8 0.2 A 92 PHE CDy C 13 130.8 0.2 A 92 PHE CEx C 13 130.9 0.2 A 92 PHE CEy C 13 130.9 0.2 A 92 PHE CZ C 13 129.2 0.2 A 92 PHE N N 15 119.5 0.2 A 93 GLN H H 1 8.28 0.02 A 93 GLN HA H 1 4.09 0.02 A 93 GLN HBy H 1 2.20 0.02 A 93 GLN HBx H 1 2.10 0.02 A 93 GLN HE21 H 1 6.89 0.02 A 93 GLN HE22 H 1 7.44 0.02 A 93 GLN HGy H 1 2.64 0.02 A 93 GLN HGx H 1 2.46 0.02 A 93 GLN C C 13 178.4 0.2 A 93 GLN CA C 13 59.0 0.2 A 93 GLN CB C 13 28.8 0.2 A 93 GLN CD C 13 180.2 0.2 A 93 GLN CG C 13 34.3 0.2 A 93 GLN N N 15 116.9 0.2 A 93 GLN NE2 N 15 112.8 0.2 A 94 LEU H H 1 7.89 0.02 A 94 LEU HA H 1 4.23 0.02 A 94 LEU HBy H 1 2.11 0.02 A 94 LEU HBx H 1 1.87 0.02 A 94 LEU HD1% H 1 1.00 0.02 A 94 LEU HD2% H 1 0.80 0.02 A 94 LEU HG H 1 1.67 0.02 A 94 LEU C C 13 178.8 0.2 A 94 LEU CA C 13 58.6 0.2 A 94 LEU CB C 13 42.3 0.2 A 94 LEU CD1 C 13 25.6 0.2 A 94 LEU CD2 C 13 25.9 0.2 A 94 LEU CG C 13 27.1 0.2 A 94 LEU N N 15 122.1 0.2 A 95 VAL H H 1 8.12 0.02 A 95 VAL HA H 1 3.43 0.02 A 95 VAL HB H 1 1.98 0.02 A 95 VAL HG1% H 1 0.64 0.02 A 95 VAL HG2% H 1 0.80 0.02 A 95 VAL C C 13 177.6 0.2 A 95 VAL CA C 13 67.2 0.2 A 95 VAL CB C 13 31.1 0.2 A 95 VAL CG1 C 13 21.6 0.2 A 95 VAL CG2 C 13 23.8 0.2 A 95 VAL N N 15 118.8 0.2 A 96 GLU H H 1 8.33 0.02 A 96 GLU HA H 1 4.00 0.02 A 96 GLU HBx H 1 2.13 0.02 A 96 GLU HBy H 1 2.13 0.02 A 96 GLU HGy H 1 2.38 0.02 A 96 GLU HGx H 1 2.28 0.02 A 96 GLU C C 13 178.9 0.2 A 96 GLU CA C 13 59.6 0.2 A 96 GLU CB C 13 29.5 0.2 A 96 GLU CG C 13 36.3 0.2 A 96 GLU N N 15 119.0 0.2 A 97 LYS H H 1 7.97 0.02 A 97 LYS HA H 1 4.09 0.02 A 97 LYS HBx H 1 1.95 0.02 A 97 LYS HBy H 1 1.95 0.02 A 97 LYS HDy H 1 1.68 0.02 A 97 LYS HDx H 1 1.63 0.02 A 97 LYS HEx H 1 2.93 0.02 A 97 LYS HEy H 1 2.93 0.02 A 97 LYS HGy H 1 1.43 0.02 A 97 LYS HGx H 1 1.11 0.02 A 97 LYS C C 13 176.7 0.2 A 97 LYS CA C 13 58.9 0.2 A 97 LYS CB C 13 32.8 0.2 A 97 LYS CD C 13 29.4 0.2 A 97 LYS CE C 13 42.2 0.2 A 97 LYS CG C 13 24.7 0.2 A 97 LYS N N 15 117.9 0.2 A 98 HIS H H 1 7.83 0.02 A 98 HIS HA H 1 4.45 0.02 A 98 HIS HBy H 1 3.38 0.02 A 98 HIS HBx H 1 2.97 0.02 A 98 HIS HD2 H 1 7.29 0.02 A 98 HIS C C 13 176.7 0.2 A 98 HIS CA C 13 58.8 0.2 A 98 HIS CB C 13 31.8 0.2 A 98 HIS CD2 C 13 120.7 0.2 A 98 HIS N N 15 116.9 0.2 A 99 ARG H H 1 8.25 0.02 A 99 ARG HA H 1 4.29 0.02 A 99 ARG HBx H 1 2.00 0.02 A 99 ARG HBy H 1 2.00 0.02 A 99 ARG HDy H 1 3.28 0.02 A 99 ARG HDx H 1 3.22 0.02 A 99 ARG HGy H 1 1.82 0.02 A 99 ARG HGx H 1 1.78 0.02 A 99 ARG C C 13 176.7 0.2 A 99 ARG CA C 13 57.4 0.2 A 99 ARG CB C 13 30.1 0.2 A 99 ARG CD C 13 43.8 0.2 A 99 ARG CG C 13 27.0 0.2 A 99 ARG N N 15 120.5 0.2 A 100 ALA H H 1 8.14 0.02 A 100 ALA HA H 1 4.37 0.02 A 100 ALA HB% H 1 1.50 0.02 A 100 ALA C C 13 178.0 0.2 A 100 ALA CA C 13 52.9 0.2 A 100 ALA CB C 13 19.1 0.2 A 100 ALA N N 15 123.6 0.2 A 101 ALA H H 1 8.11 0.02 A 101 ALA HA H 1 4.36 0.02 A 101 ALA HB% H 1 1.50 0.02 A 101 ALA C C 13 178.4 0.2 A 101 ALA CA C 13 52.8 0.2 A 101 ALA CB C 13 19.2 0.2 A 101 ALA N N 15 122.8 0.2 A 102 GLY H H 1 8.30 0.02 A 102 GLY HAx H 1 4.06 0.02 A 102 GLY HAy H 1 4.06 0.02 A 102 GLY C C 13 173.6 0.2 A 102 GLY CA C 13 45.4 0.2 A 102 GLY N N 15 108.3 0.2 A 103 SER H H 1 7.90 0.02 A 103 SER HBx H 1 3.93 0.02 A 103 SER HBy H 1 3.93 0.02 A 103 SER CA C 13 59.9 0.2 A 103 SER CB C 13 64.9 0.2 A 103 SER N N 15 121.2 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 27 MET HA A 30 HIS HBx 1.0 1.8 5.0 2 1 A 27 MET HA A 30 HIS HBy 1.0 1.8 5.0 3 2 A 27 MET HE% A 27 MET HBy 1.0 1.8 5.0 4 2 A 27 MET HBx A 27 MET HE% 1.0 1.8 5.0 5 3 A 27 MET HE% A 28 GLU H 1.0 1.8 5.0 6 4 A 27 MET HE% A 31 LEU HD2% 1.0 1.8 5.0 7 4 A 27 MET HE% A 31 LEU HD1% 1.0 1.8 5.0 8 5 A 27 MET HE% A 31 LEU HD1% 1.0 1.8 5.0 9 6 A 27 MET HE% A 31 LEU HD2% 1.0 1.8 5.0 10 7 A 27 MET HE% A 92 PHE HA 1.0 1.8 5.0 11 8 A 27 MET HE% A 92 PHE HD% 1.0 1.8 5.0 12 9 A 27 MET HE% A 95 VAL HG1% 1.0 1.8 5.0 13 10 A 27 MET HE% A 95 VAL HG2% 1.0 1.8 5.0 14 11 A 27 MET HE% A 96 GLU HA 1.0 1.8 5.0 15 12 A 27 MET HE% A 96 GLU H 1.0 1.8 6.0 16 13 A 27 MET HE% A 99 ARG HDx 1.0 1.8 6.0 17 14 A 27 MET HE% A 99 ARG HDy 1.0 1.8 6.0 18 15 A 27 MET HE% A 27 MET HGy 1.0 1.8 5.0 19 15 A 27 MET HE% A 27 MET HGx 1.0 1.8 5.0 20 16 A 28 GLU HA A 31 LEU HBy 1.0 1.8 5.0 21 16 A 28 GLU HA A 31 LEU HBx 1.0 1.8 5.0 22 17 A 28 GLU HA A 31 LEU HD2% 1.0 1.8 6.0 23 17 A 31 LEU HD1% A 28 GLU HA 1.0 1.8 6.0 24 18 A 28 GLU HA A 31 LEU H 1.0 1.8 5.0 25 19 A 92 PHE HD% A 28 GLU HA 1.0 1.8 5.0 26 20 A 28 GLU HA A 92 PHE HE% 1.0 1.8 5.0 27 21 A 28 GLU HA A 92 PHE HZ 1.0 1.8 5.0 28 22 A 28 GLU HBx A 29 ASP H 1.0 1.8 5.0 29 23 A 29 ASP H A 28 GLU HBy 1.0 1.8 5.0 30 24 A 92 PHE HD% A 28 GLU HGy 1.0 1.8 5.0 31 24 A 92 PHE HD% A 28 GLU HGx 1.0 1.8 5.0 32 25 A 92 PHE HE% A 28 GLU HGy 1.0 1.8 5.0 33 25 A 92 PHE HE% A 28 GLU HGx 1.0 1.8 5.0 34 26 A 28 GLU H A 28 GLU HGy 1.0 1.8 5.0 35 26 A 28 GLU H A 28 GLU HGx 1.0 1.8 5.0 36 27 A 28 GLU H A 29 ASP H 1.0 1.8 5.0 37 28 A 29 ASP HA A 32 LEU HBy 1.0 1.8 5.0 38 28 A 29 ASP HA A 32 LEU HBx 1.0 1.8 5.0 39 29 A 29 ASP HA A 32 LEU HD1% 1.0 1.8 5.0 40 30 A 29 ASP HA A 32 LEU HD2% 1.0 1.8 5.0 41 31 A 29 ASP HA A 32 LEU H 1.0 1.8 5.0 42 32 A 30 HIS H A 29 ASP HBx 1.0 1.8 5.0 43 33 A 30 HIS H A 29 ASP HBy 1.0 1.8 5.0 44 34 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.5 45 34 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.5 46 35 A 29 ASP H A 30 HIS H 1.0 1.8 5.0 47 36 A 30 HIS HA A 33 THR HA 1.0 1.8 6.0 48 37 A 30 HIS HA A 33 THR HB 1.0 1.8 6.0 49 38 A 30 HIS HA A 33 THR H 1.0 1.8 5.0 50 39 A 73 PHE HZ A 30 HIS HBx 1.0 1.8 5.0 51 39 A 30 HIS HBy A 73 PHE HZ 1.0 1.8 5.0 52 40 A 31 LEU H A 30 HIS HBx 1.0 1.8 5.0 53 41 A 30 HIS HBy A 31 LEU H 1.0 1.8 5.0 54 42 A 31 LEU H A 30 HIS H 1.0 1.8 5.0 55 43 A 31 LEU HA A 31 LEU HD2% 1.0 1.8 3.5 56 43 A 31 LEU HD1% A 31 LEU HA 1.0 1.8 3.5 57 44 A 31 LEU HD1% A 31 LEU HA 1.0 1.8 5.0 58 45 A 31 LEU HA A 31 LEU HD2% 1.0 1.8 5.0 59 46 A 33 THR H A 31 LEU HA 1.0 1.8 5.0 60 47 A 31 LEU HA A 34 VAL HB 1.0 1.8 5.0 61 48 A 31 LEU HA A 34 VAL HG1% 1.0 1.8 5.0 62 49 A 31 LEU HA A 34 VAL H 1.0 1.8 5.0 63 50 A 31 LEU HA A 35 LEU HD1% 1.0 1.8 5.0 64 51 A 73 PHE HZ A 31 LEU HA 1.0 1.8 5.0 65 52 A 32 LEU HA A 31 LEU HBy 1.0 1.8 5.0 66 52 A 31 LEU HBx A 32 LEU HA 1.0 1.8 5.0 67 53 A 31 LEU HBy A 35 LEU HBy 1.0 1.8 6.0 68 53 A 31 LEU HBx A 35 LEU HBy 1.0 1.8 6.0 69 53 A 35 LEU HBx A 31 LEU HBy 1.0 1.8 6.0 70 53 A 31 LEU HBx A 35 LEU HBx 1.0 1.8 6.0 71 54 A 35 LEU HD1% A 31 LEU HBy 1.0 1.8 5.0 72 54 A 31 LEU HBx A 35 LEU HD1% 1.0 1.8 5.0 73 55 A 73 PHE HZ A 31 LEU HBy 1.0 1.8 5.0 74 55 A 31 LEU HBx A 73 PHE HZ 1.0 1.8 5.0 75 56 A 92 PHE HD% A 31 LEU HBy 1.0 1.8 5.0 76 56 A 92 PHE HD% A 31 LEU HBx 1.0 1.8 5.0 77 57 A 31 LEU HBx A 92 PHE HE% 1.0 1.8 5.0 78 58 A 31 LEU HBx A 92 PHE HZ 1.0 1.8 6.0 79 59 A 92 PHE HE% A 31 LEU HBy 1.0 1.8 5.0 80 60 A 92 PHE HZ A 31 LEU HBy 1.0 1.8 6.0 81 61 A 34 VAL HG1% A 31 LEU HD2% 1.0 1.8 5.0 82 61 A 31 LEU HD1% A 34 VAL HG1% 1.0 1.8 5.0 83 62 A 35 LEU HD1% A 31 LEU HD2% 1.0 1.8 5.0 84 62 A 31 LEU HD1% A 35 LEU HD1% 1.0 1.8 5.0 85 63 A 69 LEU HD2% A 31 LEU HD2% 1.0 1.8 5.0 86 63 A 31 LEU HD1% A 69 LEU HD2% 1.0 1.8 5.0 87 64 A 73 PHE HD% A 31 LEU HD2% 1.0 1.8 5.0 88 64 A 31 LEU HD1% A 73 PHE HD% 1.0 1.8 5.0 89 65 A 73 PHE HE% A 31 LEU HD2% 1.0 1.8 5.0 90 65 A 31 LEU HD1% A 73 PHE HE% 1.0 1.8 5.0 91 66 A 91 LEU HD1% A 31 LEU HD2% 1.0 1.8 5.0 92 66 A 31 LEU HD1% A 91 LEU HD1% 1.0 1.8 5.0 93 67 A 92 PHE HA A 31 LEU HD2% 1.0 1.8 5.0 94 67 A 31 LEU HD1% A 92 PHE HA 1.0 1.8 5.0 95 68 A 92 PHE HD% A 31 LEU HD2% 1.0 1.8 5.0 96 68 A 31 LEU HD1% A 92 PHE HD% 1.0 1.8 5.0 97 69 A 92 PHE HE% A 31 LEU HD2% 1.0 1.8 5.0 98 69 A 31 LEU HD1% A 92 PHE HE% 1.0 1.8 5.0 99 70 A 92 PHE HZ A 31 LEU HD2% 1.0 1.8 5.0 100 70 A 31 LEU HD1% A 92 PHE HZ 1.0 1.8 5.0 101 71 A 95 VAL HB A 31 LEU HD2% 1.0 1.8 5.0 102 71 A 31 LEU HD1% A 95 VAL HB 1.0 1.8 5.0 103 72 A 95 VAL HG1% A 31 LEU HD2% 1.0 1.8 5.0 104 72 A 31 LEU HD1% A 95 VAL HG1% 1.0 1.8 5.0 105 73 A 31 LEU HD1% A 91 LEU HD2% 1.0 1.8 5.0 106 74 A 31 LEU HD1% A 91 LEU HG 1.0 1.8 5.0 107 75 A 31 LEU HD1% A 92 PHE HA 1.0 1.8 5.0 108 76 A 31 LEU HD1% A 92 PHE HD% 1.0 1.8 6.0 109 77 A 31 LEU HD1% A 95 VAL HB 1.0 1.8 6.0 110 78 A 31 LEU HD1% A 95 VAL HG2% 1.0 1.8 5.0 111 79 A 91 LEU HD2% A 31 LEU HD2% 1.0 1.8 5.0 112 80 A 91 LEU HG A 31 LEU HD2% 1.0 1.8 5.0 113 81 A 92 PHE HA A 31 LEU HD2% 1.0 1.8 5.0 114 82 A 92 PHE HD% A 31 LEU HD2% 1.0 1.8 6.0 115 83 A 95 VAL HB A 31 LEU HD2% 1.0 1.8 6.0 116 84 A 95 VAL HG2% A 31 LEU HD2% 1.0 1.8 5.0 117 85 A 91 LEU HD1% A 31 LEU HG 1.0 1.8 5.0 118 86 A 91 LEU HD2% A 31 LEU HG 1.0 1.8 5.0 119 87 A 31 LEU H A 31 LEU HG 1.0 1.8 5.0 120 88 A 31 LEU H A 32 LEU H 1.0 1.8 5.0 121 89 A 31 LEU H A 73 PHE HZ 1.0 1.8 5.0 122 90 A 32 LEU HD1% A 32 LEU HA 1.0 1.8 3.5 123 91 A 32 LEU HD2% A 32 LEU HA 1.0 1.8 5.0 124 92 A 32 LEU HA A 35 LEU HBx 1.0 1.8 5.0 125 93 A 32 LEU HA A 35 LEU HBy 1.0 1.8 5.0 126 94 A 35 LEU HD1% A 32 LEU HA 1.0 1.8 5.0 127 95 A 32 LEU HA A 35 LEU H 1.0 1.8 5.0 128 96 A 32 LEU HA A 46 ILE HG2% 1.0 1.8 5.0 129 97 A 92 PHE HZ A 32 LEU HA 1.0 1.8 6.0 130 98 A 32 LEU HD1% A 32 LEU HBy 1.0 1.8 3.5 131 98 A 32 LEU HBx A 32 LEU HD1% 1.0 1.8 3.5 132 99 A 32 LEU HD2% A 32 LEU HBy 1.0 1.8 3.5 133 99 A 32 LEU HBx A 32 LEU HD2% 1.0 1.8 3.5 134 100 A 32 LEU HBx A 43 LYS HEx 1.0 1.8 5.0 135 100 A 43 LYS HEy A 32 LEU HBy 1.0 1.8 5.0 136 100 A 32 LEU HBx A 43 LYS HEy 1.0 1.8 5.0 137 100 A 32 LEU HBy A 43 LYS HEx 1.0 1.8 5.0 138 101 A 32 LEU HBy A 43 LYS HGx 1.0 1.8 5.0 139 101 A 32 LEU HBx A 43 LYS HGx 1.0 1.8 5.0 140 101 A 43 LYS HGy A 32 LEU HBy 1.0 1.8 5.0 141 101 A 32 LEU HBx A 43 LYS HGy 1.0 1.8 5.0 142 102 A 32 LEU HBx A 33 THR H 1.0 1.8 5.0 143 103 A 33 THR H A 32 LEU HBy 1.0 1.8 5.0 144 104 A 32 LEU HD1% A 33 THR H 1.0 1.8 6.0 145 105 A 32 LEU HD1% A 46 ILE HB 1.0 1.8 5.0 146 106 A 32 LEU HD1% A 46 ILE HG2% 1.0 1.8 3.5 147 107 A 32 LEU HD1% A 47 SER HA 1.0 1.8 5.0 148 108 A 32 LEU HD1% A 48 ARG HA 1.0 1.8 5.0 149 109 A 32 LEU HD1% A 88 VAL HG1% 1.0 1.8 5.0 150 110 A 92 PHE HE% A 32 LEU HD1% 1.0 1.8 5.0 151 111 A 32 LEU HD2% A 43 LYS HEx 1.0 1.8 5.0 152 111 A 32 LEU HD2% A 43 LYS HEy 1.0 1.8 5.0 153 112 A 32 LEU HD2% A 47 SER HA 1.0 1.8 5.0 154 113 A 32 LEU H A 32 LEU HBy 1.0 1.8 3.5 155 113 A 32 LEU HBx A 32 LEU H 1.0 1.8 3.5 156 114 A 32 LEU HD1% A 32 LEU H 1.0 1.8 5.0 157 115 A 32 LEU HD2% A 32 LEU H 1.0 1.8 5.0 158 116 A 32 LEU H A 32 LEU HG 1.0 1.8 5.0 159 117 A 32 LEU H A 33 THR H 1.0 1.8 5.0 160 118 A 33 THR HA A 33 THR HG2% 1.0 1.8 3.5 161 119 A 33 THR HB A 34 VAL H 1.0 1.8 5.0 162 120 A 33 THR HB A 43 LYS HDy 1.0 1.8 5.0 163 120 A 33 THR HB A 43 LYS HDx 1.0 1.8 5.0 164 121 A 33 THR HG2% A 34 VAL HA 1.0 1.8 5.0 165 122 A 34 VAL H A 33 THR HG2% 1.0 1.8 5.0 166 123 A 33 THR HG2% A 37 VAL HB 1.0 1.8 5.0 167 124 A 33 THR HG2% A 37 VAL H 1.0 1.8 5.0 168 125 A 33 THR HG2% A 43 LYS HDy 1.0 1.8 5.0 169 125 A 33 THR HG2% A 43 LYS HDx 1.0 1.8 5.0 170 126 A 33 THR H A 33 THR HG2% 1.0 1.8 5.0 171 127 A 33 THR H A 35 LEU HD1% 1.0 1.8 6.0 172 128 A 34 VAL HG1% A 34 VAL HA 1.0 1.8 3.5 173 129 A 34 VAL HA A 34 VAL HG2% 1.0 1.8 3.5 174 130 A 34 VAL HA A 37 VAL HB 1.0 1.8 5.0 175 131 A 34 VAL HA A 38 ALA H 1.0 1.8 5.0 176 132 A 34 VAL HB A 35 LEU H 1.0 1.8 5.0 177 133 A 34 VAL HB A 68 LYS HGx 1.0 1.8 6.0 178 133 A 34 VAL HB A 68 LYS HGy 1.0 1.8 6.0 179 134 A 34 VAL HG1% A 35 LEU H 1.0 1.8 5.0 180 135 A 34 VAL HG1% A 36 SER H 1.0 1.8 5.0 181 136 A 34 VAL HG1% A 38 ALA HB% 1.0 1.8 5.0 182 137 A 34 VAL HG1% A 65 LEU HA 1.0 1.8 5.0 183 138 A 34 VAL HG1% A 68 LYS HBx 1.0 1.8 5.0 184 139 A 34 VAL HG1% A 68 LYS HBy 1.0 1.8 5.0 185 140 A 34 VAL HG1% A 68 LYS HGx 1.0 1.8 5.0 186 140 A 34 VAL HG1% A 68 LYS HGy 1.0 1.8 5.0 187 141 A 34 VAL HG1% A 69 LEU HD2% 1.0 1.8 5.0 188 142 A 34 VAL HG1% A 73 PHE HD% 1.0 1.8 6.0 189 143 A 34 VAL HG1% A 73 PHE HE% 1.0 1.8 5.0 190 144 A 35 LEU H A 34 VAL HG2% 1.0 1.8 5.0 191 145 A 34 VAL HG2% A 38 ALA H 1.0 1.8 6.0 192 146 A 34 VAL HG2% A 68 LYS HBx 1.0 1.8 5.0 193 146 A 34 VAL HG2% A 68 LYS HBy 1.0 1.8 5.0 194 147 A 34 VAL HG2% A 68 LYS HEx 1.0 1.8 5.0 195 147 A 34 VAL HG2% A 68 LYS HEy 1.0 1.8 5.0 196 148 A 34 VAL HG2% A 68 LYS HGx 1.0 1.8 5.0 197 148 A 34 VAL HG2% A 68 LYS HGy 1.0 1.8 5.0 198 149 A 69 LEU HD2% A 34 VAL HG2% 1.0 1.8 5.0 199 150 A 34 VAL HG2% A 72 GLU HGx 1.0 1.8 6.0 200 150 A 34 VAL HG2% A 72 GLU HGy 1.0 1.8 6.0 201 151 A 73 PHE HE% A 34 VAL HG2% 1.0 1.8 5.0 202 152 A 34 VAL HB A 34 VAL H 1.0 1.8 3.5 203 153 A 34 VAL HG1% A 34 VAL H 1.0 1.8 5.0 204 154 A 34 VAL H A 34 VAL HG2% 1.0 1.8 5.0 205 155 A 34 VAL H A 35 LEU H 1.0 1.8 5.0 206 156 A 35 LEU HD1% A 35 LEU HA 1.0 1.8 5.0 207 157 A 35 LEU HA A 35 LEU HD2% 1.0 1.8 3.5 208 158 A 37 VAL H A 35 LEU HA 1.0 1.8 5.0 209 159 A 38 ALA HB% A 35 LEU HA 1.0 1.8 5.0 210 160 A 38 ALA H A 35 LEU HA 1.0 1.8 5.0 211 161 A 35 LEU HA A 39 SER H 1.0 1.8 5.0 212 162 A 35 LEU HA A 55 LEU HBy 1.0 1.8 5.0 213 162 A 35 LEU HA A 55 LEU HBx 1.0 1.8 5.0 214 163 A 35 LEU HA A 65 LEU HD1% 1.0 1.8 5.0 215 164 A 35 LEU HD2% A 35 LEU HBy 1.0 1.8 3.5 216 164 A 35 LEU HBx A 35 LEU HD2% 1.0 1.8 3.5 217 165 A 35 LEU HBx A 36 SER H 1.0 1.8 5.0 218 166 A 35 LEU HBx A 46 ILE HD1% 1.0 1.8 5.0 219 167 A 35 LEU HBx A 55 LEU HD2% 1.0 1.8 5.0 220 168 A 36 SER H A 35 LEU HBy 1.0 1.8 5.0 221 169 A 46 ILE HD1% A 35 LEU HBy 1.0 1.8 5.0 222 170 A 55 LEU HD2% A 35 LEU HBy 1.0 1.8 5.0 223 171 A 35 LEU HD1% A 36 SER H 1.0 1.8 6.0 224 172 A 35 LEU HD1% A 52 MET HE% 1.0 1.8 5.0 225 173 A 35 LEU HD1% A 88 VAL HG1% 1.0 1.8 5.0 226 174 A 38 ALA HB% A 35 LEU HD2% 1.0 1.8 5.0 227 175 A 35 LEU HD2% A 55 LEU HBy 1.0 1.8 5.0 228 175 A 35 LEU HD2% A 55 LEU HBx 1.0 1.8 5.0 229 176 A 36 SER H A 35 LEU HG 1.0 1.8 5.0 230 177 A 35 LEU H A 35 LEU HBy 1.0 1.8 3.5 231 177 A 35 LEU HBx A 35 LEU H 1.0 1.8 3.5 232 178 A 35 LEU H A 35 LEU HD2% 1.0 1.8 5.0 233 179 A 35 LEU H A 35 LEU HG 1.0 1.8 5.0 234 180 A 35 LEU H A 36 SER H 1.0 1.8 3.5 235 181 A 36 SER HA A 37 VAL HA 1.0 1.8 6.0 236 182 A 36 SER HA A 39 SER HG 1.0 1.8 5.0 237 183 A 36 SER HA A 40 GLY H 1.0 1.8 5.0 238 184 A 36 SER HA A 41 VAL H 1.0 1.8 5.0 239 185 A 36 SER HA A 43 LYS HA 1.0 1.8 6.0 240 186 A 46 ILE HD1% A 36 SER HA 1.0 1.8 5.0 241 187 A 37 VAL HA A 36 SER HBx 1.0 1.8 6.0 242 187 A 37 VAL HA A 36 SER HBy 1.0 1.8 6.0 243 188 A 37 VAL HG2% A 36 SER HBx 1.0 1.8 5.0 244 188 A 36 SER HBy A 37 VAL HG2% 1.0 1.8 5.0 245 189 A 43 LYS H A 36 SER HBx 1.0 1.8 5.0 246 189 A 36 SER HBy A 43 LYS H 1.0 1.8 5.0 247 190 A 46 ILE HB A 36 SER HBx 1.0 1.8 6.0 248 190 A 46 ILE HB A 36 SER HBy 1.0 1.8 6.0 249 191 A 37 VAL H A 36 SER HBx 1.0 1.8 5.0 250 192 A 43 LYS HA A 36 SER HBx 1.0 1.8 5.0 251 193 A 43 LYS HBy A 36 SER HBx 1.0 1.8 6.0 252 193 A 36 SER HBx A 43 LYS HBx 1.0 1.8 6.0 253 194 A 43 LYS HGy A 36 SER HBx 1.0 1.8 5.0 254 194 A 36 SER HBx A 43 LYS HGx 1.0 1.8 5.0 255 195 A 46 ILE HD1% A 36 SER HBx 1.0 1.8 5.0 256 196 A 37 VAL H A 36 SER HBy 1.0 1.8 5.0 257 197 A 43 LYS HA A 36 SER HBy 1.0 1.8 5.0 258 198 A 36 SER HBy A 43 LYS HBy 1.0 1.8 6.0 259 198 A 36 SER HBy A 43 LYS HBx 1.0 1.8 6.0 260 199 A 43 LYS HGy A 36 SER HBy 1.0 1.8 5.0 261 199 A 36 SER HBy A 43 LYS HGx 1.0 1.8 5.0 262 200 A 46 ILE HD1% A 36 SER HBy 1.0 1.8 5.0 263 201 A 36 SER HG A 42 PRO HA 1.0 1.8 5.0 264 202 A 43 LYS H A 36 SER HG 1.0 1.8 5.0 265 203 A 36 SER H A 36 SER HBx 1.0 1.8 3.5 266 204 A 36 SER H A 36 SER HBy 1.0 1.8 3.5 267 205 A 36 SER H A 37 VAL HG2% 1.0 1.8 5.0 268 206 A 36 SER H A 46 ILE HD1% 1.0 1.8 5.0 269 207 A 37 VAL HA A 37 VAL HG1% 1.0 1.8 3.5 270 208 A 37 VAL HA A 37 VAL HG2% 1.0 1.8 3.5 271 209 A 37 VAL HA A 40 GLY H 1.0 1.8 5.0 272 210 A 37 VAL HB A 38 ALA HA 1.0 1.8 5.0 273 211 A 37 VAL HB A 38 ALA H 1.0 1.8 3.5 274 212 A 37 VAL HB A 68 LYS HEx 1.0 1.8 6.0 275 212 A 37 VAL HB A 68 LYS HEy 1.0 1.8 6.0 276 213 A 37 VAL HG1% A 38 ALA HA 1.0 1.8 5.0 277 214 A 38 ALA H A 37 VAL HG1% 1.0 1.8 5.0 278 215 A 40 GLY H A 37 VAL HG1% 1.0 1.8 6.0 279 216 A 37 VAL HG1% A 68 LYS HEx 1.0 1.8 5.0 280 216 A 68 LYS HEy A 37 VAL HG1% 1.0 1.8 5.0 281 217 A 38 ALA H A 37 VAL HG2% 1.0 1.8 5.0 282 218 A 37 VAL HB A 37 VAL H 1.0 1.8 3.5 283 219 A 37 VAL H A 37 VAL HG1% 1.0 1.8 5.0 284 220 A 37 VAL H A 37 VAL HG2% 1.0 1.8 3.5 285 221 A 37 VAL H A 38 ALA HB% 1.0 1.8 5.0 286 222 A 37 VAL H A 38 ALA H 1.0 1.8 3.5 287 223 A 37 VAL H A 39 SER HBx 1.0 1.8 6.0 288 223 A 37 VAL H A 39 SER HBy 1.0 1.8 6.0 289 224 A 37 VAL H A 39 SER H 1.0 1.8 5.0 290 225 A 37 VAL H A 40 GLY HAy 1.0 1.8 6.0 291 225 A 37 VAL H A 40 GLY HAx 1.0 1.8 6.0 292 226 A 38 ALA HA A 64 GLU HBx 1.0 1.8 6.0 293 226 A 38 ALA HA A 64 GLU HBy 1.0 1.8 6.0 294 227 A 38 ALA HA A 64 GLU HGx 1.0 1.8 5.0 295 227 A 38 ALA HA A 64 GLU HGy 1.0 1.8 5.0 296 228 A 38 ALA HB% A 39 SER H 1.0 1.8 3.5 297 229 A 38 ALA HB% A 40 GLY H 1.0 1.8 5.0 298 230 A 38 ALA HB% A 61 VAL HA 1.0 1.8 5.0 299 231 A 38 ALA HB% A 61 VAL HG1% 1.0 1.8 5.0 300 232 A 38 ALA HB% A 61 VAL HG2% 1.0 1.8 5.0 301 233 A 38 ALA HB% A 64 GLU HBx 1.0 1.8 5.0 302 233 A 38 ALA HB% A 64 GLU HBy 1.0 1.8 5.0 303 234 A 38 ALA HB% A 64 GLU HGx 1.0 1.8 5.0 304 234 A 38 ALA HB% A 64 GLU HGy 1.0 1.8 5.0 305 235 A 38 ALA HB% A 65 LEU HA 1.0 1.8 5.0 306 236 A 38 ALA HB% A 65 LEU HD1% 1.0 1.8 5.0 307 237 A 38 ALA HB% A 65 LEU HD2% 1.0 1.8 5.0 308 238 A 38 ALA HB% A 65 LEU H 1.0 1.8 5.0 309 239 A 38 ALA HB% A 68 LYS HEx 1.0 1.8 5.0 310 239 A 38 ALA HB% A 68 LYS HEy 1.0 1.8 5.0 311 240 A 38 ALA H A 38 ALA HB% 1.0 1.8 2.7 312 241 A 38 ALA H A 39 SER H 1.0 1.8 3.5 313 242 A 39 SER HA A 40 GLY HAy 1.0 1.8 5.0 314 242 A 40 GLY HAx A 39 SER HA 1.0 1.8 5.0 315 243 A 41 VAL H A 39 SER HA 1.0 1.8 6.0 316 244 A 61 VAL HG1% A 39 SER HA 1.0 1.8 5.0 317 245 A 61 VAL HG2% A 39 SER HA 1.0 1.8 5.0 318 246 A 41 VAL H A 39 SER HBx 1.0 1.8 5.0 319 246 A 41 VAL H A 39 SER HBy 1.0 1.8 5.0 320 247 A 55 LEU HA A 39 SER HBx 1.0 1.8 5.0 321 247 A 39 SER HBy A 55 LEU HA 1.0 1.8 5.0 322 248 A 61 VAL HG1% A 39 SER HBx 1.0 1.8 5.0 323 248 A 39 SER HBy A 61 VAL HG1% 1.0 1.8 5.0 324 249 A 41 VAL HG2% A 39 SER HBx 1.0 1.8 5.0 325 250 A 39 SER HBy A 41 VAL HG2% 1.0 1.8 5.0 326 251 A 39 SER HG A 40 GLY H 1.0 1.8 5.0 327 252 A 39 SER HG A 41 VAL H 1.0 1.8 5.0 328 253 A 46 ILE HD1% A 39 SER HG 1.0 1.8 5.0 329 254 A 39 SER H A 39 SER HBx 1.0 1.8 3.5 330 254 A 39 SER H A 39 SER HBy 1.0 1.8 3.5 331 255 A 39 SER H A 39 SER HG 1.0 1.8 3.5 332 256 A 39 SER H A 40 GLY H 1.0 1.8 3.5 333 257 A 40 GLY HAx A 41 VAL HG2% 1.0 1.8 6.0 334 258 A 41 VAL HG2% A 40 GLY HAy 1.0 1.8 6.0 335 259 A 40 GLY H A 41 VAL HG2% 1.0 1.8 6.0 336 260 A 40 GLY H A 41 VAL H 1.0 1.8 3.5 337 261 A 41 VAL HA A 41 VAL HG1% 1.0 1.8 3.5 338 262 A 41 VAL HG2% A 41 VAL HA 1.0 1.8 3.5 339 263 A 41 VAL HA A 42 PRO HDy 1.0 1.8 3.5 340 263 A 41 VAL HA A 42 PRO HDx 1.0 1.8 3.5 341 264 A 46 ILE HD1% A 41 VAL HB 1.0 1.8 5.0 342 265 A 55 LEU HD2% A 41 VAL HB 1.0 1.8 5.0 343 266 A 41 VAL HG1% A 42 PRO HDy 1.0 1.8 3.5 344 266 A 41 VAL HG1% A 42 PRO HDx 1.0 1.8 3.5 345 267 A 41 VAL HG1% A 45 GLU HBy 1.0 1.8 3.5 346 267 A 41 VAL HG1% A 45 GLU HBx 1.0 1.8 3.5 347 268 A 41 VAL HG1% A 45 GLU HGx 1.0 1.8 5.0 348 268 A 41 VAL HG1% A 45 GLU HGy 1.0 1.8 5.0 349 269 A 41 VAL HG1% A 45 GLU H 1.0 1.8 6.0 350 270 A 46 ILE HD1% A 41 VAL HG1% 1.0 1.8 5.0 351 271 A 41 VAL HG1% A 46 ILE HG1y 1.0 1.8 5.0 352 271 A 41 VAL HG1% A 46 ILE HG1x 1.0 1.8 5.0 353 272 A 41 VAL HG2% A 42 PRO HDy 1.0 1.8 5.0 354 272 A 41 VAL HG2% A 42 PRO HDx 1.0 1.8 5.0 355 273 A 41 VAL H A 41 VAL HB 1.0 1.8 3.5 356 274 A 41 VAL H A 41 VAL HG1% 1.0 1.8 5.0 357 275 A 41 VAL H A 41 VAL HG2% 1.0 1.8 3.5 358 276 A 41 VAL H A 42 PRO HDy 1.0 1.8 5.0 359 276 A 41 VAL H A 42 PRO HDx 1.0 1.8 5.0 360 277 A 46 ILE HD1% A 41 VAL H 1.0 1.8 5.0 361 278 A 55 LEU HD2% A 41 VAL H 1.0 1.8 5.0 362 279 A 43 LYS HA A 42 PRO HA 1.0 1.8 6.0 363 280 A 42 PRO HA A 43 LYS HBx 1.0 1.8 6.0 364 280 A 43 LYS HBy A 42 PRO HA 1.0 1.8 6.0 365 281 A 43 LYS H A 42 PRO HA 1.0 1.8 3.5 366 282 A 45 GLU H A 42 PRO HBy 1.0 1.8 5.0 367 282 A 45 GLU H A 42 PRO HBx 1.0 1.8 5.0 368 283 A 43 LYS H A 42 PRO HBy 1.0 1.8 5.0 369 284 A 44 GLU H A 42 PRO HBy 1.0 1.8 5.0 370 285 A 43 LYS H A 42 PRO HBx 1.0 1.8 5.0 371 286 A 42 PRO HBx A 44 GLU H 1.0 1.8 5.0 372 287 A 42 PRO HDx A 45 GLU HBy 1.0 1.8 5.0 373 287 A 42 PRO HDy A 45 GLU HBy 1.0 1.8 5.0 374 287 A 45 GLU HBx A 42 PRO HDy 1.0 1.8 5.0 375 287 A 42 PRO HDx A 45 GLU HBx 1.0 1.8 5.0 376 288 A 43 LYS HA A 44 GLU HA 1.0 1.8 6.0 377 289 A 43 LYS HA A 45 GLU H 1.0 1.8 6.0 378 290 A 46 ILE HB A 43 LYS HA 1.0 1.8 5.0 379 291 A 46 ILE HD1% A 43 LYS HA 1.0 1.8 5.0 380 292 A 43 LYS HA A 46 ILE H 1.0 1.8 5.0 381 293 A 46 ILE HG2% A 43 LYS HBx 1.0 1.8 6.0 382 293 A 46 ILE HG2% A 43 LYS HBy 1.0 1.8 6.0 383 294 A 44 GLU H A 43 LYS HBx 1.0 1.8 5.0 384 295 A 43 LYS HBy A 44 GLU H 1.0 1.8 5.0 385 296 A 43 LYS HGy A 43 LYS HEx 1.0 1.8 5.0 386 296 A 43 LYS HEx A 43 LYS HGx 1.0 1.8 5.0 387 297 A 44 GLU H A 43 LYS HGx 1.0 1.8 5.0 388 297 A 43 LYS HGy A 44 GLU H 1.0 1.8 5.0 389 298 A 43 LYS H A 43 LYS HBx 1.0 1.8 3.5 390 298 A 43 LYS H A 43 LYS HBy 1.0 1.8 3.5 391 299 A 43 LYS H A 43 LYS HGx 1.0 1.8 5.0 392 299 A 43 LYS HGy A 43 LYS H 1.0 1.8 5.0 393 300 A 43 LYS H A 44 GLU H 1.0 1.8 5.0 394 301 A 44 GLU HA A 46 ILE H 1.0 1.8 5.0 395 302 A 45 GLU H A 44 GLU HGx 1.0 1.8 5.0 396 302 A 45 GLU H A 44 GLU HGy 1.0 1.8 5.0 397 303 A 44 GLU H A 44 GLU HBx 1.0 1.8 3.5 398 303 A 44 GLU H A 44 GLU HBy 1.0 1.8 3.5 399 304 A 44 GLU H A 44 GLU HGx 1.0 1.8 5.0 400 304 A 44 GLU H A 44 GLU HGy 1.0 1.8 5.0 401 305 A 45 GLU H A 44 GLU H 1.0 1.8 5.0 402 306 A 45 GLU HA A 45 GLU HGx 1.0 1.8 3.5 403 306 A 45 GLU HGy A 45 GLU HA 1.0 1.8 3.5 404 307 A 45 GLU H A 45 GLU HGx 1.0 1.8 3.5 405 307 A 45 GLU HGy A 45 GLU H 1.0 1.8 3.5 406 308 A 45 GLU H A 46 ILE H 1.0 1.8 3.5 407 309 A 46 ILE HD1% A 46 ILE HA 1.0 1.8 5.0 408 310 A 46 ILE HA A 47 SER H 1.0 1.8 3.5 409 311 A 46 ILE HG2% A 46 ILE HD1% 1.0 1.8 3.5 410 312 A 46 ILE HG2% A 46 ILE HG1y 1.0 1.8 3.5 411 312 A 46 ILE HG2% A 46 ILE HG1x 1.0 1.8 3.5 412 313 A 46 ILE HG2% A 47 SER HA 1.0 1.8 5.0 413 314 A 46 ILE HG2% A 47 SER HBy 1.0 1.8 5.0 414 314 A 46 ILE HG2% A 47 SER HBx 1.0 1.8 5.0 415 315 A 46 ILE HG2% A 47 SER H 1.0 1.8 5.0 416 316 A 46 ILE HG2% A 48 ARG HA 1.0 1.8 6.0 417 317 A 46 ILE HG2% A 50 SER HBx 1.0 1.8 5.0 418 318 A 46 ILE HG2% A 50 SER HBy 1.0 1.8 5.0 419 319 A 46 ILE HG2% A 88 VAL HG1% 1.0 1.8 5.0 420 320 A 46 ILE HG2% A 88 VAL HG2% 1.0 1.8 5.0 421 321 A 46 ILE HB A 46 ILE H 1.0 1.8 3.5 422 322 A 46 ILE HD1% A 46 ILE H 1.0 1.8 5.0 423 323 A 46 ILE H A 46 ILE HG1y 1.0 1.8 5.0 424 323 A 46 ILE HG1x A 46 ILE H 1.0 1.8 5.0 425 324 A 49 ASP H A 47 SER HBy 1.0 1.8 5.0 426 324 A 47 SER HBx A 49 ASP H 1.0 1.8 5.0 427 325 A 47 SER H A 50 SER HBx 1.0 1.8 5.0 428 325 A 47 SER H A 50 SER HBy 1.0 1.8 5.0 429 326 A 47 SER H A 50 SER H 1.0 1.8 6.0 430 327 A 48 ARG HA A 50 SER HBx 1.0 1.8 6.0 431 327 A 48 ARG HA A 50 SER HBy 1.0 1.8 6.0 432 328 A 48 ARG HA A 50 SER H 1.0 1.8 5.0 433 329 A 48 ARG HA A 88 VAL HB 1.0 1.8 5.0 434 330 A 48 ARG HA A 88 VAL HG1% 1.0 1.8 5.0 435 331 A 48 ARG HA A 89 ASP H 1.0 1.8 5.0 436 332 A 48 ARG HBx A 89 ASP HBx 1.0 1.8 5.0 437 332 A 48 ARG HBy A 89 ASP HBx 1.0 1.8 5.0 438 332 A 89 ASP HBy A 48 ARG HBy 1.0 1.8 5.0 439 332 A 48 ARG HBx A 89 ASP HBy 1.0 1.8 5.0 440 333 A 89 ASP H A 48 ARG HBy 1.0 1.8 5.0 441 333 A 89 ASP H A 48 ARG HBx 1.0 1.8 5.0 442 334 A 92 PHE HD% A 48 ARG HBy 1.0 1.8 5.0 443 334 A 92 PHE HD% A 48 ARG HBx 1.0 1.8 5.0 444 335 A 92 PHE HE% A 48 ARG HBy 1.0 1.8 6.0 445 335 A 92 PHE HE% A 48 ARG HBx 1.0 1.8 6.0 446 336 A 92 PHE HD% A 48 ARG HGy 1.0 1.8 6.0 447 336 A 92 PHE HD% A 48 ARG HGx 1.0 1.8 6.0 448 337 A 49 ASP H A 48 ARG H 1.0 1.8 6.0 449 338 A 49 ASP H A 49 ASP HBy 1.0 1.8 3.5 450 338 A 49 ASP H A 49 ASP HBx 1.0 1.8 3.5 451 339 A 50 SER HA A 51 ARG H 1.0 1.8 3.5 452 340 A 88 VAL HG2% A 50 SER HA 1.0 1.8 5.0 453 341 A 88 VAL HG2% A 50 SER HBx 1.0 1.8 3.5 454 341 A 88 VAL HG2% A 50 SER HBy 1.0 1.8 3.5 455 342 A 51 ARG H A 50 SER HBx 1.0 1.8 5.0 456 343 A 50 SER HBy A 51 ARG H 1.0 1.8 5.0 457 344 A 50 SER H A 50 SER HBx 1.0 1.8 3.5 458 344 A 50 SER HBy A 50 SER H 1.0 1.8 3.5 459 345 A 50 SER H A 51 ARG H 1.0 1.8 5.0 460 346 A 50 SER H A 88 VAL HB 1.0 1.8 5.0 461 347 A 88 VAL HG2% A 50 SER H 1.0 1.8 5.0 462 348 A 50 SER H A 88 VAL H 1.0 1.8 5.0 463 349 A 51 ARG HA A 52 MET H 1.0 1.8 3.5 464 350 A 51 ARG HA A 87 THR HA 1.0 1.8 5.0 465 351 A 51 ARG HA A 87 THR HG2% 1.0 1.8 5.0 466 352 A 52 MET H A 51 ARG HBx 1.0 1.8 5.0 467 353 A 52 MET H A 51 ARG HBy 1.0 1.8 5.0 468 354 A 87 THR HG2% A 51 ARG HDy 1.0 1.8 5.0 469 354 A 87 THR HG2% A 51 ARG HDx 1.0 1.8 5.0 470 355 A 52 MET H A 51 ARG HGy 1.0 1.8 5.0 471 355 A 52 MET H A 51 ARG HGx 1.0 1.8 5.0 472 356 A 87 THR HG2% A 51 ARG HGy 1.0 1.8 5.0 473 356 A 87 THR HG2% A 51 ARG HGx 1.0 1.8 5.0 474 357 A 51 ARG H A 51 ARG HBy 1.0 1.8 3.5 475 357 A 51 ARG H A 51 ARG HBx 1.0 1.8 3.5 476 358 A 51 ARG H A 51 ARG HGy 1.0 1.8 3.5 477 358 A 51 ARG H A 51 ARG HGx 1.0 1.8 3.5 478 359 A 51 ARG H A 52 MET H 1.0 1.8 5.0 479 360 A 51 ARG H A 55 LEU HD1% 1.0 1.8 6.0 480 361 A 88 VAL HG2% A 51 ARG H 1.0 1.8 6.0 481 362 A 52 MET HE% A 52 MET HA 1.0 1.8 5.0 482 363 A 55 LEU HD1% A 52 MET HA 1.0 1.8 5.0 483 364 A 52 MET HA A 55 LEU HG 1.0 1.8 6.0 484 365 A 52 MET HA A 55 LEU H 1.0 1.8 5.0 485 366 A 52 MET HE% A 52 MET HBx 1.0 1.8 5.0 486 366 A 52 MET HE% A 52 MET HBy 1.0 1.8 5.0 487 367 A 53 GLU HA A 52 MET HBx 1.0 1.8 6.0 488 367 A 52 MET HBy A 53 GLU HA 1.0 1.8 6.0 489 368 A 85 LEU HD1% A 52 MET HBx 1.0 1.8 6.0 490 368 A 52 MET HBy A 85 LEU HD1% 1.0 1.8 6.0 491 369 A 87 THR HA A 52 MET HBx 1.0 1.8 6.0 492 369 A 87 THR HA A 52 MET HBy 1.0 1.8 6.0 493 370 A 87 THR H A 52 MET HBx 1.0 1.8 6.0 494 370 A 52 MET HBy A 87 THR H 1.0 1.8 6.0 495 371 A 52 MET HE% A 85 LEU HBy 1.0 1.8 5.0 496 371 A 52 MET HE% A 85 LEU HBx 1.0 1.8 5.0 497 372 A 52 MET HE% A 85 LEU HD1% 1.0 1.8 5.0 498 373 A 52 MET HE% A 85 LEU HD2% 1.0 1.8 5.0 499 374 A 52 MET HE% A 88 VAL HA 1.0 1.8 5.0 500 375 A 52 MET HE% A 88 VAL HG2% 1.0 1.8 3.5 501 376 A 52 MET HE% A 91 LEU HA 1.0 1.8 5.0 502 377 A 52 MET HE% A 91 LEU HBy 1.0 1.8 5.0 503 377 A 52 MET HE% A 91 LEU HBx 1.0 1.8 5.0 504 378 A 91 LEU HD1% A 52 MET HE% 1.0 1.8 5.0 505 379 A 91 LEU HD2% A 52 MET HE% 1.0 1.8 3.5 506 380 A 52 MET HE% A 91 LEU H 1.0 1.8 5.0 507 381 A 52 MET HE% A 52 MET HGy 1.0 1.8 3.5 508 381 A 52 MET HE% A 52 MET HGx 1.0 1.8 3.5 509 382 A 85 LEU HD1% A 52 MET HGy 1.0 1.8 6.0 510 382 A 85 LEU HD1% A 52 MET HGx 1.0 1.8 6.0 511 383 A 87 THR HA A 52 MET HGy 1.0 1.8 5.0 512 383 A 87 THR HA A 52 MET HGx 1.0 1.8 5.0 513 384 A 91 LEU HD2% A 52 MET HGy 1.0 1.8 6.0 514 384 A 91 LEU HD2% A 52 MET HGx 1.0 1.8 6.0 515 385 A 52 MET H A 52 MET HGy 1.0 1.8 5.0 516 385 A 52 MET H A 52 MET HGx 1.0 1.8 5.0 517 386 A 52 MET H A 53 GLU H 1.0 1.8 5.0 518 387 A 52 MET H A 55 LEU HD1% 1.0 1.8 5.0 519 388 A 52 MET H A 87 THR HA 1.0 1.8 5.0 520 389 A 52 MET H A 87 THR HG2% 1.0 1.8 5.0 521 390 A 88 VAL HG2% A 52 MET H 1.0 1.8 6.0 522 391 A 53 GLU HBx A 54 ASP H 1.0 1.8 5.0 523 392 A 54 ASP H A 53 GLU HBy 1.0 1.8 5.0 524 393 A 54 ASP H A 53 GLU HGx 1.0 1.8 5.0 525 393 A 54 ASP H A 53 GLU HGy 1.0 1.8 5.0 526 394 A 53 GLU H A 53 GLU HGx 1.0 1.8 5.0 527 394 A 53 GLU H A 53 GLU HGy 1.0 1.8 5.0 528 395 A 53 GLU H A 54 ASP H 1.0 1.8 5.0 529 396 A 55 LEU HG A 53 GLU H 1.0 1.8 6.0 530 397 A 55 LEU HD2% A 54 ASP HBx 1.0 1.8 6.0 531 397 A 55 LEU HD2% A 54 ASP HBy 1.0 1.8 6.0 532 398 A 55 LEU HG A 54 ASP HBx 1.0 1.8 5.0 533 398 A 55 LEU HG A 54 ASP HBy 1.0 1.8 5.0 534 399 A 54 ASP H A 54 ASP HBx 1.0 1.8 3.5 535 399 A 54 ASP H A 54 ASP HBy 1.0 1.8 3.5 536 400 A 55 LEU HG A 54 ASP H 1.0 1.8 5.0 537 401 A 55 LEU H A 54 ASP H 1.0 1.8 3.5 538 402 A 55 LEU HA A 55 LEU HD1% 1.0 1.8 5.0 539 403 A 55 LEU HD2% A 55 LEU HA 1.0 1.8 3.5 540 404 A 61 VAL HG1% A 55 LEU HA 1.0 1.8 5.0 541 405 A 61 VAL HG2% A 55 LEU HA 1.0 1.8 5.0 542 406 A 55 LEU HBx A 56 ALA H 1.0 1.8 5.0 543 407 A 56 ALA H A 55 LEU HBy 1.0 1.8 5.0 544 408 A 55 LEU HG A 56 ALA H 1.0 1.8 5.0 545 409 A 55 LEU HD1% A 55 LEU H 1.0 1.8 5.0 546 410 A 55 LEU HD2% A 55 LEU H 1.0 1.8 5.0 547 411 A 55 LEU HG A 55 LEU H 1.0 1.8 5.0 548 412 A 55 LEU H A 56 ALA H 1.0 1.8 5.0 549 413 A 56 ALA HA A 57 PHE H 1.0 1.8 3.5 550 414 A 61 VAL HG1% A 56 ALA HA 1.0 1.8 5.0 551 415 A 56 ALA HA A 62 VAL H 1.0 1.8 6.0 552 416 A 61 VAL HG1% A 56 ALA HB% 1.0 1.8 5.0 553 417 A 56 ALA HB% A 62 VAL HG2% 1.0 1.8 5.0 554 418 A 65 LEU HD1% A 56 ALA HB% 1.0 1.8 5.0 555 419 A 65 LEU HD2% A 56 ALA HB% 1.0 1.8 5.0 556 420 A 56 ALA HB% A 82 LEU HD2% 1.0 1.8 5.0 557 421 A 56 ALA H A 57 PHE H 1.0 1.8 5.0 558 422 A 57 PHE HA A 61 VAL HB 1.0 1.8 5.0 559 423 A 61 VAL HG1% A 57 PHE HA 1.0 1.8 6.0 560 424 A 61 VAL HG2% A 57 PHE HA 1.0 1.8 6.0 561 425 A 86 GLU HA A 57 PHE HBy 1.0 1.8 6.0 562 425 A 57 PHE HBx A 86 GLU HA 1.0 1.8 6.0 563 426 A 62 VAL HG2% A 57 PHE HD% 1.0 1.8 6.0 564 427 A 86 GLU HA A 57 PHE HD% 1.0 1.8 5.0 565 428 A 57 PHE H A 57 PHE HBy 1.0 1.8 3.5 566 428 A 57 PHE H A 57 PHE HBx 1.0 1.8 3.5 567 429 A 57 PHE H A 57 PHE HD% 1.0 1.8 5.0 568 430 A 61 VAL HG2% A 58 ASP HBy 1.0 1.8 5.0 569 430 A 61 VAL HG2% A 58 ASP HBx 1.0 1.8 5.0 570 431 A 61 VAL HB A 58 ASP H 1.0 1.8 5.0 571 432 A 61 VAL HG2% A 58 ASP H 1.0 1.8 5.0 572 433 A 58 ASP H A 61 VAL H 1.0 1.8 5.0 573 434 A 62 VAL H A 58 ASP H 1.0 1.8 6.0 574 435 A 59 SER HA A 62 VAL HB 1.0 1.8 5.0 575 436 A 62 VAL HG2% A 59 SER HA 1.0 1.8 5.0 576 437 A 62 VAL H A 59 SER HA 1.0 1.8 6.0 577 438 A 62 VAL HB A 59 SER HBx 1.0 1.8 6.0 578 438 A 62 VAL HB A 59 SER HBy 1.0 1.8 6.0 579 439 A 59 SER H A 60 LEU H 1.0 1.8 5.0 580 440 A 60 LEU HA A 60 LEU HD2% 1.0 1.8 3.5 581 440 A 60 LEU HA A 60 LEU HD1% 1.0 1.8 3.5 582 441 A 60 LEU HA A 60 LEU HD1% 1.0 1.8 5.0 583 442 A 60 LEU HA A 60 LEU HD2% 1.0 1.8 5.0 584 443 A 60 LEU HA A 63 SER HBx 1.0 1.8 5.0 585 443 A 60 LEU HA A 63 SER HBy 1.0 1.8 5.0 586 444 A 61 VAL H A 60 LEU HBx 1.0 1.8 5.0 587 445 A 61 VAL H A 60 LEU HBy 1.0 1.8 5.0 588 446 A 60 LEU H A 60 LEU HBy 1.0 1.8 3.5 589 446 A 60 LEU H A 60 LEU HBx 1.0 1.8 3.5 590 447 A 60 LEU H A 60 LEU HG 1.0 1.8 6.0 591 448 A 61 VAL H A 60 LEU H 1.0 1.8 5.0 592 449 A 61 VAL HA A 61 VAL HG2% 1.0 1.8 3.5 593 450 A 61 VAL HA A 64 GLU HBx 1.0 1.8 5.0 594 450 A 64 GLU HBy A 61 VAL HA 1.0 1.8 5.0 595 451 A 61 VAL HA A 64 GLU H 1.0 1.8 5.0 596 452 A 62 VAL H A 61 VAL HB 1.0 1.8 5.0 597 453 A 61 VAL HG1% A 62 VAL HA 1.0 1.8 5.0 598 454 A 61 VAL HG1% A 62 VAL H 1.0 1.8 6.0 599 455 A 61 VAL HG1% A 65 LEU HBy 1.0 1.8 5.0 600 455 A 61 VAL HG1% A 65 LEU HBx 1.0 1.8 5.0 601 456 A 61 VAL HG1% A 61 VAL H 1.0 1.8 5.0 602 457 A 61 VAL HG2% A 61 VAL H 1.0 1.8 3.5 603 458 A 61 VAL H A 64 GLU H 1.0 1.8 6.0 604 459 A 62 VAL HA A 62 VAL HG1% 1.0 1.8 3.5 605 460 A 62 VAL HG2% A 62 VAL HA 1.0 1.8 3.5 606 461 A 62 VAL HA A 65 LEU HBy 1.0 1.8 5.0 607 461 A 62 VAL HA A 65 LEU HBx 1.0 1.8 5.0 608 462 A 65 LEU HD2% A 62 VAL HA 1.0 1.8 5.0 609 463 A 65 LEU H A 62 VAL HA 1.0 1.8 5.0 610 464 A 62 VAL HA A 66 SER H 1.0 1.8 5.0 611 465 A 62 VAL HA A 82 LEU HD1% 1.0 1.8 5.0 612 466 A 82 LEU HD2% A 62 VAL HA 1.0 1.8 5.0 613 467 A 62 VAL HB A 63 SER H 1.0 1.8 5.0 614 468 A 62 VAL HG1% A 63 SER HA 1.0 1.8 5.0 615 469 A 62 VAL HG1% A 63 SER H 1.0 1.8 5.0 616 470 A 62 VAL HG1% A 65 LEU HBy 1.0 1.8 5.0 617 470 A 65 LEU HBx A 62 VAL HG1% 1.0 1.8 5.0 618 471 A 62 VAL HG1% A 79 ASP HA 1.0 1.8 5.0 619 472 A 62 VAL HG1% A 82 LEU HA 1.0 1.8 6.0 620 473 A 62 VAL HG1% A 82 LEU HBy 1.0 1.8 3.5 621 473 A 62 VAL HG1% A 82 LEU HBx 1.0 1.8 3.5 622 474 A 82 LEU HD2% A 62 VAL HG1% 1.0 1.8 5.0 623 475 A 62 VAL HG1% A 82 LEU H 1.0 1.8 6.0 624 476 A 62 VAL HG1% A 83 ASP HA 1.0 1.8 5.0 625 477 A 62 VAL HG1% A 83 ASP HBx 1.0 1.8 5.0 626 477 A 62 VAL HG1% A 83 ASP HBy 1.0 1.8 5.0 627 478 A 62 VAL HG1% A 83 ASP H 1.0 1.8 5.0 628 479 A 62 VAL HG2% A 63 SER H 1.0 1.8 5.0 629 480 A 62 VAL HG2% A 82 LEU HBy 1.0 1.8 5.0 630 480 A 62 VAL HG2% A 82 LEU HBx 1.0 1.8 5.0 631 481 A 62 VAL HG2% A 83 ASP HA 1.0 1.8 5.0 632 482 A 62 VAL HG2% A 83 ASP HBx 1.0 1.8 6.0 633 482 A 62 VAL HG2% A 83 ASP HBy 1.0 1.8 6.0 634 483 A 62 VAL H A 62 VAL HG1% 1.0 1.8 5.0 635 484 A 62 VAL H A 62 VAL HG2% 1.0 1.8 5.0 636 485 A 62 VAL H A 64 GLU H 1.0 1.8 6.0 637 486 A 66 SER H A 63 SER HA 1.0 1.8 5.0 638 487 A 64 GLU HA A 64 GLU HGx 1.0 1.8 3.5 639 487 A 64 GLU HGy A 64 GLU HA 1.0 1.8 3.5 640 488 A 64 GLU HA A 67 LEU HDx% 1.0 1.8 3.5 641 488 A 64 GLU HA A 67 LEU HDy% 1.0 1.8 3.5 642 489 A 64 GLU HA A 67 LEU HG 1.0 1.8 5.0 643 490 A 65 LEU H A 64 GLU HBx 1.0 1.8 5.0 644 491 A 64 GLU HBy A 65 LEU H 1.0 1.8 5.0 645 492 A 65 LEU H A 64 GLU HGx 1.0 1.8 5.0 646 492 A 64 GLU HGy A 65 LEU H 1.0 1.8 5.0 647 493 A 64 GLU HGx A 67 LEU HDx% 1.0 1.8 5.0 648 493 A 64 GLU HGy A 67 LEU HDx% 1.0 1.8 5.0 649 493 A 67 LEU HDy% A 64 GLU HGx 1.0 1.8 5.0 650 493 A 64 GLU HGy A 67 LEU HDy% 1.0 1.8 5.0 651 494 A 64 GLU H A 64 GLU HBx 1.0 1.8 3.5 652 494 A 64 GLU HBy A 64 GLU H 1.0 1.8 3.5 653 495 A 64 GLU H A 64 GLU HGx 1.0 1.8 5.0 654 495 A 64 GLU HGy A 64 GLU H 1.0 1.8 5.0 655 496 A 65 LEU H A 64 GLU H 1.0 1.8 5.0 656 497 A 65 LEU HA A 65 LEU HD1% 1.0 1.8 3.5 657 498 A 65 LEU HA A 65 LEU HD2% 1.0 1.8 5.0 658 499 A 65 LEU HA A 68 LYS HBx 1.0 1.8 5.0 659 499 A 65 LEU HA A 68 LYS HBy 1.0 1.8 5.0 660 500 A 65 LEU HA A 68 LYS H 1.0 1.8 5.0 661 501 A 65 LEU HA A 69 LEU HD1% 1.0 1.8 5.0 662 502 A 65 LEU HA A 69 LEU H 1.0 1.8 5.0 663 503 A 65 LEU HD2% A 65 LEU HBy 1.0 1.8 3.5 664 503 A 65 LEU HD2% A 65 LEU HBx 1.0 1.8 3.5 665 504 A 82 LEU HD1% A 65 LEU HBy 1.0 1.8 5.0 666 504 A 65 LEU HBx A 82 LEU HD1% 1.0 1.8 5.0 667 505 A 82 LEU HD2% A 65 LEU HBy 1.0 1.8 6.0 668 505 A 82 LEU HD2% A 65 LEU HBx 1.0 1.8 6.0 669 506 A 65 LEU HBx A 66 SER H 1.0 1.8 5.0 670 507 A 66 SER H A 65 LEU HBy 1.0 1.8 5.0 671 508 A 65 LEU HD1% A 69 LEU HD1% 1.0 1.8 3.5 672 509 A 65 LEU HD1% A 69 LEU HG 1.0 1.8 5.0 673 510 A 65 LEU HD1% A 69 LEU H 1.0 1.8 5.0 674 511 A 65 LEU HD2% A 82 LEU HD2% 1.0 1.8 3.5 675 512 A 69 LEU HD1% A 65 LEU HG 1.0 1.8 5.0 676 513 A 82 LEU HD2% A 65 LEU HG 1.0 1.8 5.0 677 514 A 65 LEU HD1% A 65 LEU H 1.0 1.8 6.0 678 515 A 65 LEU HD2% A 65 LEU H 1.0 1.8 6.0 679 516 A 66 SER HA A 69 LEU HBx 1.0 1.8 6.0 680 517 A 66 SER HA A 69 LEU HBy 1.0 1.8 6.0 681 518 A 69 LEU HD1% A 66 SER HA 1.0 1.8 5.0 682 519 A 69 LEU HG A 66 SER HA 1.0 1.8 5.0 683 520 A 69 LEU H A 66 SER HA 1.0 1.8 5.0 684 521 A 82 LEU HD1% A 66 SER HA 1.0 1.8 5.0 685 522 A 66 SER HA A 82 LEU HG 1.0 1.8 6.0 686 523 A 67 LEU H A 66 SER HBy 1.0 1.8 3.5 687 523 A 66 SER HBx A 67 LEU H 1.0 1.8 3.5 688 524 A 82 LEU HD1% A 66 SER HBy 1.0 1.8 5.0 689 524 A 82 LEU HD1% A 66 SER HBx 1.0 1.8 5.0 690 525 A 66 SER H A 66 SER HBy 1.0 1.8 3.5 691 525 A 66 SER H A 66 SER HBx 1.0 1.8 3.5 692 526 A 66 SER H A 67 LEU H 1.0 1.8 3.5 693 527 A 66 SER H A 69 LEU HD1% 1.0 1.8 5.0 694 528 A 66 SER H A 82 LEU HD1% 1.0 1.8 5.0 695 529 A 82 LEU HD2% A 66 SER H 1.0 1.8 6.0 696 530 A 67 LEU HA A 67 LEU HDx% 1.0 1.8 3.5 697 530 A 67 LEU HDy% A 67 LEU HA 1.0 1.8 3.5 698 531 A 67 LEU HA A 70 ARG H 1.0 1.8 5.0 699 532 A 70 ARG H A 67 LEU HBx 1.0 1.8 6.0 700 532 A 70 ARG H A 67 LEU HBy 1.0 1.8 6.0 701 533 A 67 LEU HDy% A 68 LYS HEx 1.0 1.8 5.0 702 533 A 67 LEU HDx% A 68 LYS HEx 1.0 1.8 5.0 703 533 A 68 LYS HEy A 67 LEU HDx% 1.0 1.8 5.0 704 533 A 68 LYS HEy A 67 LEU HDy% 1.0 1.8 5.0 705 534 A 68 LYS H A 67 LEU HDx% 1.0 1.8 5.0 706 534 A 67 LEU HDy% A 68 LYS H 1.0 1.8 5.0 707 535 A 67 LEU HDx% A 70 ARG HDx 1.0 1.8 5.0 708 535 A 67 LEU HDy% A 70 ARG HDx 1.0 1.8 5.0 709 535 A 70 ARG HDy A 67 LEU HDx% 1.0 1.8 5.0 710 535 A 67 LEU HDy% A 70 ARG HDy 1.0 1.8 5.0 711 536 A 67 LEU HG A 68 LYS H 1.0 1.8 5.0 712 537 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.5 713 537 A 67 LEU H A 67 LEU HBy 1.0 1.8 3.5 714 538 A 67 LEU H A 67 LEU HDx% 1.0 1.8 5.0 715 538 A 67 LEU HDy% A 67 LEU H 1.0 1.8 5.0 716 539 A 67 LEU HG A 67 LEU H 1.0 1.8 5.0 717 540 A 68 LYS H A 67 LEU H 1.0 1.8 3.5 718 541 A 69 LEU H A 67 LEU H 1.0 1.8 6.0 719 542 A 68 LYS HA A 68 LYS HDy 1.0 1.8 5.0 720 542 A 68 LYS HA A 68 LYS HDx 1.0 1.8 5.0 721 543 A 68 LYS HA A 72 GLU HBx 1.0 1.8 5.0 722 543 A 68 LYS HA A 72 GLU HBy 1.0 1.8 5.0 723 544 A 68 LYS HA A 72 GLU HGx 1.0 1.8 6.0 724 544 A 72 GLU HGy A 68 LYS HA 1.0 1.8 6.0 725 545 A 68 LYS HA A 72 GLU H 1.0 1.8 5.0 726 546 A 68 LYS HBx A 72 GLU HGx 1.0 1.8 6.0 727 546 A 68 LYS HBy A 72 GLU HGx 1.0 1.8 6.0 728 546 A 72 GLU HGy A 68 LYS HBx 1.0 1.8 6.0 729 546 A 68 LYS HBy A 72 GLU HGy 1.0 1.8 6.0 730 547 A 69 LEU H A 68 LYS HBx 1.0 1.8 5.0 731 548 A 68 LYS HBy A 69 LEU H 1.0 1.8 5.0 732 549 A 68 LYS HEx A 68 LYS HGx 1.0 1.8 3.5 733 549 A 68 LYS HEy A 68 LYS HGx 1.0 1.8 3.5 734 549 A 68 LYS HGy A 68 LYS HEx 1.0 1.8 3.5 735 549 A 68 LYS HGy A 68 LYS HEy 1.0 1.8 3.5 736 550 A 68 LYS H A 68 LYS HBx 1.0 1.8 3.5 737 550 A 68 LYS HBy A 68 LYS H 1.0 1.8 3.5 738 551 A 68 LYS H A 68 LYS HGx 1.0 1.8 5.0 739 551 A 68 LYS HGy A 68 LYS H 1.0 1.8 5.0 740 552 A 68 LYS H A 69 LEU H 1.0 1.8 3.5 741 553 A 68 LYS H A 70 ARG H 1.0 1.8 6.0 742 554 A 69 LEU HD1% A 69 LEU HA 1.0 1.8 5.0 743 555 A 69 LEU HD2% A 69 LEU HA 1.0 1.8 3.5 744 556 A 69 LEU HA A 72 GLU HBx 1.0 1.8 5.0 745 556 A 72 GLU HBy A 69 LEU HA 1.0 1.8 5.0 746 557 A 69 LEU HA A 73 PHE HBy 1.0 1.8 5.0 747 557 A 69 LEU HA A 73 PHE HBx 1.0 1.8 5.0 748 558 A 73 PHE HD% A 69 LEU HA 1.0 1.8 3.5 749 559 A 69 LEU HA A 73 PHE H 1.0 1.8 5.0 750 560 A 75 VAL HG1% A 69 LEU HBy 1.0 1.8 5.0 751 560 A 69 LEU HBx A 75 VAL HG1% 1.0 1.8 5.0 752 561 A 75 VAL H A 69 LEU HBy 1.0 1.8 5.0 753 561 A 69 LEU HBx A 75 VAL H 1.0 1.8 5.0 754 562 A 70 ARG H A 69 LEU HBx 1.0 1.8 5.0 755 563 A 69 LEU HBx A 75 VAL HB 1.0 1.8 5.0 756 564 A 70 ARG H A 69 LEU HBy 1.0 1.8 5.0 757 565 A 75 VAL HB A 69 LEU HBy 1.0 1.8 5.0 758 566 A 69 LEU HD1% A 78 VAL HG2% 1.0 1.8 5.0 759 567 A 69 LEU HD2% A 73 PHE HD% 1.0 1.8 5.0 760 568 A 69 LEU HD2% A 73 PHE HE% 1.0 1.8 5.0 761 569 A 69 LEU HG A 70 ARG H 1.0 1.8 5.0 762 570 A 69 LEU HD1% A 69 LEU H 1.0 1.8 5.0 763 571 A 69 LEU HD2% A 69 LEU H 1.0 1.8 5.0 764 572 A 69 LEU H A 69 LEU HG 1.0 1.8 3.5 765 573 A 69 LEU H A 70 ARG H 1.0 1.8 3.5 766 574 A 69 LEU H A 71 LYS H 1.0 1.8 6.0 767 575 A 73 PHE H A 70 ARG HA 1.0 1.8 6.0 768 576 A 70 ARG HA A 76 THR HG2% 1.0 1.8 5.0 769 577 A 71 LYS H A 70 ARG HBy 1.0 1.8 3.5 770 577 A 71 LYS H A 70 ARG HBx 1.0 1.8 3.5 771 578 A 76 THR HG2% A 70 ARG HBy 1.0 1.8 5.0 772 578 A 76 THR HG2% A 70 ARG HBx 1.0 1.8 5.0 773 579 A 76 THR HG2% A 70 ARG HDx 1.0 1.8 5.0 774 579 A 70 ARG HDy A 76 THR HG2% 1.0 1.8 5.0 775 580 A 71 LYS H A 70 ARG HGx 1.0 1.8 5.0 776 580 A 71 LYS H A 70 ARG HGy 1.0 1.8 5.0 777 581 A 76 THR HB A 70 ARG HGx 1.0 1.8 5.0 778 581 A 70 ARG HGy A 76 THR HB 1.0 1.8 5.0 779 582 A 76 THR HG2% A 70 ARG HGx 1.0 1.8 3.5 780 582 A 76 THR HG2% A 70 ARG HGy 1.0 1.8 3.5 781 583 A 77 GLY H A 70 ARG HGx 1.0 1.8 6.0 782 583 A 70 ARG HGy A 77 GLY H 1.0 1.8 6.0 783 584 A 70 ARG H A 70 ARG HBy 1.0 1.8 3.5 784 584 A 70 ARG H A 70 ARG HBx 1.0 1.8 3.5 785 585 A 70 ARG H A 70 ARG HGx 1.0 1.8 5.0 786 585 A 70 ARG H A 70 ARG HGy 1.0 1.8 5.0 787 586 A 70 ARG H A 71 LYS H 1.0 1.8 3.5 788 587 A 71 LYS HA A 71 LYS HDx 1.0 1.8 5.0 789 587 A 71 LYS HA A 71 LYS HDy 1.0 1.8 5.0 790 588 A 72 GLU H A 71 LYS HBx 1.0 1.8 5.0 791 589 A 72 GLU H A 71 LYS HBy 1.0 1.8 5.0 792 590 A 71 LYS H A 71 LYS HBx 1.0 1.8 3.5 793 590 A 71 LYS H A 71 LYS HBy 1.0 1.8 3.5 794 591 A 71 LYS H A 71 LYS HDx 1.0 1.8 5.0 795 591 A 71 LYS H A 71 LYS HDy 1.0 1.8 5.0 796 592 A 71 LYS H A 71 LYS HGx 1.0 1.8 5.0 797 593 A 71 LYS H A 71 LYS HGy 1.0 1.8 5.0 798 594 A 72 GLU H A 71 LYS H 1.0 1.8 5.0 799 595 A 73 PHE HD% A 72 GLU HBx 1.0 1.8 5.0 800 595 A 73 PHE HD% A 72 GLU HBy 1.0 1.8 5.0 801 596 A 73 PHE H A 72 GLU HBx 1.0 1.8 5.0 802 597 A 72 GLU HBy A 73 PHE H 1.0 1.8 5.0 803 598 A 72 GLU H A 72 GLU HGx 1.0 1.8 5.0 804 598 A 72 GLU HGy A 72 GLU H 1.0 1.8 5.0 805 599 A 72 GLU H A 73 PHE H 1.0 1.8 3.5 806 600 A 72 GLU H A 74 GLY H 1.0 1.8 5.0 807 601 A 73 PHE HD% A 73 PHE HA 1.0 1.8 5.0 808 602 A 75 VAL HG2% A 73 PHE HBy 1.0 1.8 3.5 809 602 A 73 PHE HBx A 75 VAL HG2% 1.0 1.8 3.5 810 603 A 75 VAL H A 73 PHE HBy 1.0 1.8 5.0 811 603 A 73 PHE HBx A 75 VAL H 1.0 1.8 5.0 812 604 A 95 VAL HG1% A 73 PHE HBy 1.0 1.8 5.0 813 604 A 95 VAL HG1% A 73 PHE HBx 1.0 1.8 5.0 814 605 A 73 PHE HD% A 75 VAL HG2% 1.0 1.8 5.0 815 606 A 95 VAL HG1% A 73 PHE HD% 1.0 1.8 5.0 816 607 A 95 VAL HG2% A 73 PHE HD% 1.0 1.8 5.0 817 608 A 73 PHE H A 74 GLY H 1.0 1.8 3.5 818 609 A 73 PHE H A 75 VAL H 1.0 1.8 5.0 819 610 A 75 VAL HG2% A 75 VAL HA 1.0 1.8 3.5 820 611 A 75 VAL HA A 76 THR H 1.0 1.8 3.5 821 612 A 75 VAL HG1% A 76 THR H 1.0 1.8 5.0 822 613 A 75 VAL HG1% A 78 VAL HG1% 1.0 1.8 5.0 823 614 A 75 VAL HG1% A 78 VAL HG2% 1.0 1.8 3.5 824 615 A 75 VAL HG1% A 98 HIS HBx 1.0 1.8 5.0 825 616 A 75 VAL HG1% A 98 HIS HBy 1.0 1.8 5.0 826 617 A 75 VAL HG2% A 76 THR H 1.0 1.8 5.0 827 618 A 78 VAL HG2% A 75 VAL HG2% 1.0 1.8 5.0 828 619 A 75 VAL HG2% A 95 VAL HA 1.0 1.8 5.0 829 620 A 75 VAL HG2% A 98 HIS HBx 1.0 1.8 5.0 830 620 A 75 VAL HG2% A 98 HIS HBy 1.0 1.8 5.0 831 621 A 75 VAL HG2% A 99 ARG H 1.0 1.8 5.0 832 622 A 75 VAL H A 75 VAL HB 1.0 1.8 3.5 833 623 A 75 VAL HG1% A 75 VAL H 1.0 1.8 5.0 834 624 A 75 VAL H A 75 VAL HG2% 1.0 1.8 5.0 835 625 A 76 THR HG2% A 76 THR HA 1.0 1.8 3.5 836 626 A 76 THR HG2% A 76 THR H 1.0 1.8 5.0 837 627 A 78 VAL HG1% A 78 VAL HA 1.0 1.8 3.5 838 628 A 78 VAL HB A 81 GLU H 1.0 1.8 5.0 839 629 A 82 LEU HD1% A 78 VAL HB 1.0 1.8 5.0 840 630 A 78 VAL HB A 94 LEU HD1% 1.0 1.8 5.0 841 631 A 78 VAL HB A 94 LEU HD2% 1.0 1.8 5.0 842 632 A 78 VAL HG1% A 94 LEU HD1% 1.0 1.8 5.0 843 633 A 78 VAL HG1% A 94 LEU HD2% 1.0 1.8 5.0 844 634 A 78 VAL HG2% A 79 ASP H 1.0 1.8 6.0 845 635 A 82 LEU HD1% A 78 VAL HG2% 1.0 1.8 3.5 846 636 A 82 LEU HD2% A 78 VAL HG2% 1.0 1.8 5.0 847 637 A 82 LEU HG A 78 VAL HG2% 1.0 1.8 5.0 848 638 A 78 VAL HG2% A 94 LEU HD1% 1.0 1.8 5.0 849 639 A 78 VAL HG2% A 94 LEU HD2% 1.0 1.8 5.0 850 640 A 78 VAL HG1% A 78 VAL H 1.0 1.8 5.0 851 641 A 78 VAL HG2% A 78 VAL H 1.0 1.8 3.5 852 642 A 79 ASP HA A 78 VAL H 1.0 1.8 5.0 853 643 A 79 ASP H A 78 VAL H 1.0 1.8 5.0 854 644 A 79 ASP HA A 82 LEU HBx 1.0 1.8 5.0 855 645 A 79 ASP HA A 82 LEU HBy 1.0 1.8 5.0 856 646 A 82 LEU HD1% A 79 ASP HA 1.0 1.8 5.0 857 647 A 79 ASP HA A 82 LEU HG 1.0 1.8 5.0 858 648 A 79 ASP HA A 82 LEU H 1.0 1.8 5.0 859 649 A 79 ASP HA A 83 ASP H 1.0 1.8 5.0 860 650 A 81 GLU H A 79 ASP H 1.0 1.8 5.0 861 651 A 80 ASP HA A 83 ASP HBx 1.0 1.8 5.0 862 651 A 83 ASP HBy A 80 ASP HA 1.0 1.8 5.0 863 652 A 83 ASP H A 80 ASP HA 1.0 1.8 5.0 864 653 A 81 GLU H A 80 ASP HBx 1.0 1.8 5.0 865 654 A 81 GLU H A 80 ASP HBy 1.0 1.8 5.0 866 655 A 81 GLU H A 80 ASP H 1.0 1.8 5.0 867 656 A 81 GLU HA A 84 LEU HBx 1.0 1.8 5.0 868 656 A 81 GLU HA A 84 LEU HBy 1.0 1.8 5.0 869 657 A 81 GLU HA A 84 LEU HD1% 1.0 1.8 5.0 870 658 A 81 GLU HA A 84 LEU H 1.0 1.8 5.0 871 659 A 82 LEU H A 81 GLU HBx 1.0 1.8 3.5 872 659 A 82 LEU H A 81 GLU HBy 1.0 1.8 3.5 873 660 A 94 LEU HD1% A 81 GLU HBx 1.0 1.8 5.0 874 660 A 94 LEU HD1% A 81 GLU HBy 1.0 1.8 5.0 875 661 A 94 LEU HD2% A 81 GLU HBx 1.0 1.8 5.0 876 661 A 94 LEU HD2% A 81 GLU HBy 1.0 1.8 5.0 877 662 A 82 LEU H A 81 GLU HGx 1.0 1.8 5.0 878 662 A 82 LEU H A 81 GLU HGy 1.0 1.8 5.0 879 663 A 94 LEU HD1% A 81 GLU HGx 1.0 1.8 5.0 880 663 A 94 LEU HD1% A 81 GLU HGy 1.0 1.8 5.0 881 664 A 94 LEU HD2% A 81 GLU HGx 1.0 1.8 5.0 882 664 A 94 LEU HD2% A 81 GLU HGy 1.0 1.8 5.0 883 665 A 81 GLU H A 81 GLU HGx 1.0 1.8 5.0 884 665 A 81 GLU H A 81 GLU HGy 1.0 1.8 5.0 885 666 A 82 LEU H A 81 GLU H 1.0 1.8 3.5 886 667 A 83 ASP H A 81 GLU H 1.0 1.8 5.0 887 668 A 82 LEU HD2% A 82 LEU HA 1.0 1.8 3.5 888 669 A 82 LEU HA A 84 LEU H 1.0 1.8 5.0 889 670 A 85 LEU HD1% A 82 LEU HA 1.0 1.8 3.5 890 671 A 85 LEU HD2% A 82 LEU HA 1.0 1.8 5.0 891 672 A 82 LEU HA A 85 LEU HG 1.0 1.8 5.0 892 673 A 82 LEU HA A 85 LEU H 1.0 1.8 5.0 893 674 A 82 LEU HD1% A 82 LEU HBy 1.0 1.8 3.5 894 674 A 82 LEU HD1% A 82 LEU HBx 1.0 1.8 3.5 895 675 A 83 ASP H A 82 LEU HBy 1.0 1.8 3.5 896 675 A 82 LEU HBx A 83 ASP H 1.0 1.8 3.5 897 676 A 85 LEU HD1% A 82 LEU HD2% 1.0 1.8 3.5 898 677 A 82 LEU HD2% A 85 LEU HG 1.0 1.8 5.0 899 678 A 82 LEU HD1% A 82 LEU H 1.0 1.8 5.0 900 679 A 82 LEU HD2% A 82 LEU H 1.0 1.8 5.0 901 680 A 82 LEU H A 82 LEU HG 1.0 1.8 3.5 902 681 A 82 LEU H A 83 ASP HBx 1.0 1.8 5.0 903 681 A 82 LEU H A 83 ASP HBy 1.0 1.8 5.0 904 682 A 82 LEU H A 83 ASP H 1.0 1.8 3.5 905 683 A 85 LEU HD1% A 82 LEU H 1.0 1.8 6.0 906 684 A 82 LEU H A 85 LEU HG 1.0 1.8 6.0 907 685 A 83 ASP HA A 85 LEU H 1.0 1.8 6.0 908 686 A 84 LEU HD2% A 83 ASP HBx 1.0 1.8 5.0 909 686 A 83 ASP HBy A 84 LEU HD2% 1.0 1.8 5.0 910 687 A 83 ASP H A 83 ASP HBx 1.0 1.8 3.5 911 687 A 83 ASP HBy A 83 ASP H 1.0 1.8 3.5 912 688 A 83 ASP H A 84 LEU H 1.0 1.8 3.5 913 689 A 84 LEU HD1% A 84 LEU HA 1.0 1.8 5.0 914 690 A 84 LEU HD2% A 84 LEU HA 1.0 1.8 3.5 915 691 A 84 LEU HD1% A 84 LEU HBx 1.0 1.8 3.5 916 691 A 84 LEU HBy A 84 LEU HD1% 1.0 1.8 3.5 917 692 A 84 LEU HD2% A 84 LEU HBx 1.0 1.8 3.5 918 692 A 84 LEU HBy A 84 LEU HD2% 1.0 1.8 3.5 919 693 A 84 LEU H A 84 LEU HBx 1.0 1.8 3.5 920 693 A 84 LEU HBy A 84 LEU H 1.0 1.8 3.5 921 694 A 84 LEU HD1% A 84 LEU H 1.0 1.8 5.0 922 695 A 84 LEU H A 84 LEU HD2% 1.0 1.8 5.0 923 696 A 84 LEU H A 84 LEU HG 1.0 1.8 5.0 924 697 A 84 LEU H A 85 LEU HG 1.0 1.8 5.0 925 698 A 85 LEU HD1% A 85 LEU HA 1.0 1.8 5.0 926 699 A 85 LEU HD2% A 85 LEU HA 1.0 1.8 3.5 927 700 A 85 LEU HA A 86 GLU H 1.0 1.8 3.5 928 701 A 87 THR H A 85 LEU HA 1.0 1.8 5.0 929 702 A 91 LEU H A 85 LEU HA 1.0 1.8 6.0 930 703 A 85 LEU HD2% A 85 LEU HBy 1.0 1.8 3.5 931 703 A 85 LEU HBx A 85 LEU HD2% 1.0 1.8 3.5 932 704 A 87 THR H A 85 LEU HBy 1.0 1.8 6.0 933 704 A 87 THR H A 85 LEU HBx 1.0 1.8 6.0 934 705 A 85 LEU HBx A 86 GLU H 1.0 1.8 5.0 935 706 A 86 GLU H A 85 LEU HBy 1.0 1.8 5.0 936 707 A 85 LEU HD1% A 86 GLU H 1.0 1.8 5.0 937 708 A 85 LEU HD1% A 91 LEU HA 1.0 1.8 5.0 938 709 A 85 LEU HD1% A 91 LEU HBx 1.0 1.8 5.0 939 710 A 85 LEU HD1% A 91 LEU HBy 1.0 1.8 5.0 940 711 A 85 LEU HD1% A 91 LEU H 1.0 1.8 5.0 941 712 A 85 LEU HD2% A 86 GLU H 1.0 1.8 5.0 942 713 A 85 LEU HD2% A 90 GLU HBy 1.0 1.8 3.5 943 713 A 85 LEU HD2% A 90 GLU HBx 1.0 1.8 3.5 944 714 A 85 LEU HD2% A 90 GLU H 1.0 1.8 6.0 945 715 A 85 LEU HD2% A 91 LEU HA 1.0 1.8 5.0 946 716 A 85 LEU HD2% A 91 LEU HBx 1.0 1.8 5.0 947 717 A 85 LEU HD2% A 91 LEU HBy 1.0 1.8 5.0 948 718 A 85 LEU HD2% A 91 LEU H 1.0 1.8 5.0 949 719 A 85 LEU HD2% A 94 LEU HBy 1.0 1.8 5.0 950 719 A 85 LEU HD2% A 94 LEU HBx 1.0 1.8 5.0 951 720 A 85 LEU H A 85 LEU HBy 1.0 1.8 3.5 952 720 A 85 LEU HBx A 85 LEU H 1.0 1.8 3.5 953 721 A 85 LEU HD1% A 85 LEU H 1.0 1.8 5.0 954 722 A 85 LEU HD2% A 85 LEU H 1.0 1.8 5.0 955 723 A 85 LEU HG A 85 LEU H 1.0 1.8 3.5 956 724 A 87 THR HG2% A 86 GLU HBx 1.0 1.8 5.0 957 724 A 87 THR HG2% A 86 GLU HBy 1.0 1.8 5.0 958 725 A 87 THR HG2% A 86 GLU HGy 1.0 1.8 5.0 959 725 A 87 THR HG2% A 86 GLU HGx 1.0 1.8 5.0 960 726 A 87 THR H A 86 GLU HGy 1.0 1.8 5.0 961 726 A 87 THR H A 86 GLU HGx 1.0 1.8 5.0 962 727 A 86 GLU H A 86 GLU HGy 1.0 1.8 5.0 963 727 A 86 GLU H A 86 GLU HGx 1.0 1.8 5.0 964 728 A 87 THR HG2% A 86 GLU H 1.0 1.8 5.0 965 729 A 87 THR H A 86 GLU H 1.0 1.8 3.5 966 730 A 86 GLU H A 90 GLU HBy 1.0 1.8 5.0 967 730 A 86 GLU H A 90 GLU HBx 1.0 1.8 5.0 968 731 A 86 GLU H A 90 GLU HGy 1.0 1.8 5.0 969 731 A 86 GLU H A 90 GLU HGx 1.0 1.8 5.0 970 732 A 87 THR HA A 87 THR HG2% 1.0 1.8 3.5 971 733 A 88 VAL H A 87 THR HA 1.0 1.8 3.5 972 734 A 88 VAL H A 87 THR HB 1.0 1.8 3.5 973 735 A 89 ASP H A 87 THR HB 1.0 1.8 5.0 974 736 A 90 GLU H A 87 THR HB 1.0 1.8 5.0 975 737 A 88 VAL H A 87 THR HG2% 1.0 1.8 5.0 976 738 A 89 ASP H A 87 THR HG2% 1.0 1.8 5.0 977 739 A 87 THR HG2% A 87 THR H 1.0 1.8 5.0 978 740 A 87 THR H A 90 GLU HBy 1.0 1.8 5.0 979 740 A 87 THR H A 90 GLU HBx 1.0 1.8 5.0 980 741 A 87 THR H A 90 GLU HGy 1.0 1.8 5.0 981 741 A 87 THR H A 90 GLU HGx 1.0 1.8 5.0 982 742 A 88 VAL HG2% A 88 VAL HA 1.0 1.8 3.5 983 743 A 88 VAL HA A 90 GLU H 1.0 1.8 5.0 984 744 A 88 VAL HA A 91 LEU HBy 1.0 1.8 5.0 985 744 A 88 VAL HA A 91 LEU HBx 1.0 1.8 5.0 986 745 A 88 VAL HA A 91 LEU H 1.0 1.8 5.0 987 746 A 88 VAL HB A 89 ASP H 1.0 1.8 5.0 988 747 A 88 VAL HG1% A 89 ASP H 1.0 1.8 5.0 989 748 A 92 PHE HD% A 88 VAL HG1% 1.0 1.8 5.0 990 749 A 92 PHE HE% A 88 VAL HG1% 1.0 1.8 5.0 991 750 A 88 VAL HG1% A 92 PHE H 1.0 1.8 6.0 992 751 A 92 PHE HZ A 88 VAL HG1% 1.0 1.8 6.0 993 752 A 88 VAL HG2% A 89 ASP H 1.0 1.8 5.0 994 753 A 88 VAL HG2% A 90 GLU H 1.0 1.8 6.0 995 754 A 92 PHE HD% A 88 VAL HG2% 1.0 1.8 5.0 996 755 A 92 PHE HZ A 88 VAL HG2% 1.0 1.8 6.0 997 756 A 88 VAL HB A 88 VAL H 1.0 1.8 3.5 998 757 A 88 VAL HG1% A 88 VAL H 1.0 1.8 5.0 999 758 A 88 VAL HG2% A 88 VAL H 1.0 1.8 3.5 1000 759 A 89 ASP H A 88 VAL H 1.0 1.8 5.0 1001 760 A 88 VAL H A 90 GLU H 1.0 1.8 6.0 1002 761 A 89 ASP HA A 92 PHE HBy 1.0 1.8 5.0 1003 761 A 89 ASP HA A 92 PHE HBx 1.0 1.8 5.0 1004 762 A 92 PHE HD% A 89 ASP HA 1.0 1.8 5.0 1005 763 A 92 PHE H A 89 ASP HA 1.0 1.8 5.0 1006 764 A 89 ASP HA A 93 GLN H 1.0 1.8 5.0 1007 765 A 90 GLU H A 89 ASP HBx 1.0 1.8 5.0 1008 766 A 89 ASP HBy A 90 GLU H 1.0 1.8 5.0 1009 767 A 89 ASP H A 89 ASP HBx 1.0 1.8 3.5 1010 767 A 89 ASP H A 89 ASP HBy 1.0 1.8 3.5 1011 768 A 89 ASP H A 90 GLU H 1.0 1.8 5.0 1012 769 A 90 GLU HA A 93 GLN HBy 1.0 1.8 5.0 1013 769 A 90 GLU HA A 93 GLN HBx 1.0 1.8 5.0 1014 770 A 90 GLU HA A 93 GLN HGy 1.0 1.8 5.0 1015 770 A 90 GLU HA A 93 GLN HGx 1.0 1.8 5.0 1016 771 A 93 GLN H A 90 GLU HA 1.0 1.8 5.0 1017 772 A 90 GLU HA A 94 LEU H 1.0 1.8 6.0 1018 773 A 91 LEU H A 90 GLU HBy 1.0 1.8 3.5 1019 773 A 91 LEU H A 90 GLU HBx 1.0 1.8 3.5 1020 774 A 90 GLU H A 90 GLU HBy 1.0 1.8 3.5 1021 774 A 90 GLU HBx A 90 GLU H 1.0 1.8 3.5 1022 775 A 90 GLU H A 90 GLU HGx 1.0 1.8 5.0 1023 776 A 90 GLU H A 90 GLU HGy 1.0 1.8 5.0 1024 777 A 90 GLU H A 92 PHE H 1.0 1.8 6.0 1025 778 A 90 GLU H A 93 GLN H 1.0 1.8 6.0 1026 779 A 91 LEU HD1% A 91 LEU HA 1.0 1.8 3.5 1027 780 A 91 LEU HD2% A 91 LEU HA 1.0 1.8 5.0 1028 781 A 91 LEU HA A 94 LEU HBy 1.0 1.8 5.0 1029 781 A 91 LEU HA A 94 LEU HBx 1.0 1.8 5.0 1030 782 A 91 LEU HA A 94 LEU H 1.0 1.8 5.0 1031 783 A 91 LEU HBx A 92 PHE H 1.0 1.8 5.0 1032 784 A 92 PHE H A 91 LEU HBy 1.0 1.8 5.0 1033 785 A 91 LEU HD1% A 92 PHE H 1.0 1.8 5.0 1034 786 A 91 LEU HD1% A 94 LEU HBy 1.0 1.8 5.0 1035 786 A 91 LEU HD1% A 94 LEU HBx 1.0 1.8 5.0 1036 787 A 91 LEU HD1% A 94 LEU HD2% 1.0 1.8 5.0 1037 788 A 91 LEU HD1% A 94 LEU H 1.0 1.8 5.0 1038 789 A 91 LEU HD1% A 95 VAL HA 1.0 1.8 6.0 1039 790 A 91 LEU HD1% A 95 VAL H 1.0 1.8 5.0 1040 791 A 92 PHE HD% A 91 LEU HD2% 1.0 1.8 5.0 1041 792 A 91 LEU HD2% A 92 PHE H 1.0 1.8 6.0 1042 793 A 91 LEU H A 91 LEU HBy 1.0 1.8 3.5 1043 793 A 91 LEU HBx A 91 LEU H 1.0 1.8 3.5 1044 794 A 91 LEU HG A 91 LEU H 1.0 1.8 5.0 1045 795 A 91 LEU H A 92 PHE H 1.0 1.8 3.5 1046 796 A 91 LEU H A 93 GLN H 1.0 1.8 6.0 1047 797 A 91 LEU H A 94 LEU H 1.0 1.8 6.0 1048 798 A 92 PHE HA A 92 PHE HD% 1.0 1.8 5.0 1049 799 A 92 PHE HA A 92 PHE HE% 1.0 1.8 5.0 1050 800 A 92 PHE HA A 94 LEU H 1.0 1.8 6.0 1051 801 A 92 PHE HA A 95 VAL HB 1.0 1.8 5.0 1052 802 A 92 PHE HA A 95 VAL HG2% 1.0 1.8 5.0 1053 803 A 92 PHE HA A 95 VAL H 1.0 1.8 5.0 1054 804 A 92 PHE HBx A 93 GLN H 1.0 1.8 5.0 1055 805 A 93 GLN H A 92 PHE HBy 1.0 1.8 5.0 1056 806 A 92 PHE HD% A 95 VAL HG2% 1.0 1.8 6.0 1057 807 A 92 PHE H A 92 PHE HBy 1.0 1.8 3.5 1058 807 A 92 PHE H A 92 PHE HBx 1.0 1.8 3.5 1059 808 A 92 PHE HD% A 92 PHE H 1.0 1.8 5.0 1060 809 A 92 PHE H A 94 LEU H 1.0 1.8 5.0 1061 810 A 92 PHE H A 95 VAL H 1.0 1.8 6.0 1062 811 A 96 GLU H A 93 GLN HA 1.0 1.8 5.0 1063 812 A 93 GLN H A 93 GLN HBy 1.0 1.8 3.5 1064 812 A 93 GLN H A 93 GLN HBx 1.0 1.8 3.5 1065 813 A 93 GLN H A 93 GLN HGy 1.0 1.8 3.5 1066 813 A 93 GLN H A 93 GLN HGx 1.0 1.8 3.5 1067 814 A 93 GLN H A 94 LEU H 1.0 1.8 5.0 1068 815 A 94 LEU HD1% A 94 LEU HA 1.0 1.8 5.0 1069 816 A 94 LEU HD2% A 94 LEU HA 1.0 1.8 5.0 1070 817 A 94 LEU HA A 97 LYS HBx 1.0 1.8 5.0 1071 817 A 94 LEU HA A 97 LYS HBy 1.0 1.8 5.0 1072 818 A 94 LEU HA A 97 LYS H 1.0 1.8 5.0 1073 819 A 94 LEU HA A 98 HIS H 1.0 1.8 5.0 1074 820 A 95 VAL H A 94 LEU HBy 1.0 1.8 3.5 1075 820 A 94 LEU HBx A 95 VAL H 1.0 1.8 3.5 1076 821 A 94 LEU HG A 98 HIS HD2 1.0 1.8 5.0 1077 822 A 94 LEU HD1% A 98 HIS HD2 1.0 1.8 5.0 1078 823 A 95 VAL HA A 94 LEU HD2% 1.0 1.8 5.0 1079 824 A 94 LEU HD2% A 95 VAL H 1.0 1.8 5.0 1080 825 A 94 LEU HBx A 94 LEU H 1.0 1.8 3.5 1081 826 A 94 LEU H A 94 LEU HBy 1.0 1.8 3.5 1082 827 A 94 LEU HD1% A 94 LEU H 1.0 1.8 5.0 1083 828 A 94 LEU HD2% A 94 LEU H 1.0 1.8 5.0 1084 829 A 94 LEU H A 94 LEU HG 1.0 1.8 5.0 1085 830 A 95 VAL HG2% A 94 LEU H 1.0 1.8 6.0 1086 831 A 94 LEU H A 95 VAL H 1.0 1.8 3.5 1087 832 A 96 GLU H A 94 LEU H 1.0 1.8 5.0 1088 833 A 95 VAL HG2% A 95 VAL HA 1.0 1.8 3.5 1089 834 A 95 VAL HA A 98 HIS HBx 1.0 1.8 5.0 1090 834 A 95 VAL HA A 98 HIS HBy 1.0 1.8 5.0 1091 835 A 95 VAL HA A 98 HIS H 1.0 1.8 5.0 1092 836 A 95 VAL HA A 99 ARG H 1.0 1.8 5.0 1093 837 A 96 GLU H A 95 VAL HB 1.0 1.8 5.0 1094 838 A 95 VAL HG1% A 96 GLU HA 1.0 1.8 6.0 1095 839 A 95 VAL HG1% A 96 GLU H 1.0 1.8 5.0 1096 840 A 95 VAL HG1% A 99 ARG HDx 1.0 1.8 5.0 1097 840 A 95 VAL HG1% A 99 ARG HDy 1.0 1.8 5.0 1098 841 A 95 VAL HG1% A 99 ARG HGy 1.0 1.8 5.0 1099 841 A 95 VAL HG1% A 99 ARG HGx 1.0 1.8 5.0 1100 842 A 95 VAL HG2% A 96 GLU H 1.0 1.8 5.0 1101 843 A 95 VAL HG2% A 97 LYS H 1.0 1.8 6.0 1102 844 A 95 VAL HB A 95 VAL H 1.0 1.8 3.5 1103 845 A 95 VAL HG1% A 95 VAL H 1.0 1.8 5.0 1104 846 A 95 VAL HG2% A 95 VAL H 1.0 1.8 3.5 1105 847 A 96 GLU H A 95 VAL H 1.0 1.8 5.0 1106 848 A 95 VAL H A 97 LYS H 1.0 1.8 5.0 1107 849 A 96 GLU HA A 99 ARG HBx 1.0 1.8 5.0 1108 849 A 96 GLU HA A 99 ARG HBy 1.0 1.8 5.0 1109 850 A 96 GLU HA A 99 ARG H 1.0 1.8 6.0 1110 851 A 96 GLU H A 96 GLU HBx 1.0 1.8 3.5 1111 851 A 96 GLU H A 96 GLU HBy 1.0 1.8 3.5 1112 852 A 96 GLU H A 96 GLU HGy 1.0 1.8 5.0 1113 852 A 96 GLU H A 96 GLU HGx 1.0 1.8 5.0 1114 853 A 96 GLU H A 97 LYS H 1.0 1.8 3.5 1115 854 A 97 LYS HA A 100 ALA HB% 1.0 1.8 5.0 1116 855 A 97 LYS HA A 100 ALA H 1.0 1.8 5.0 1117 856 A 97 LYS HEx A 97 LYS HGx 1.0 1.8 3.5 1118 856 A 97 LYS HEy A 97 LYS HGx 1.0 1.8 3.5 1119 856 A 97 LYS HGy A 97 LYS HEx 1.0 1.8 3.5 1120 856 A 97 LYS HGy A 97 LYS HEy 1.0 1.8 3.5 1121 857 A 97 LYS H A 97 LYS HBx 1.0 1.8 3.5 1122 857 A 97 LYS HBy A 97 LYS H 1.0 1.8 3.5 1123 858 A 97 LYS H A 97 LYS HGx 1.0 1.8 5.0 1124 859 A 97 LYS H A 97 LYS HGy 1.0 1.8 5.0 1125 860 A 97 LYS H A 98 HIS H 1.0 1.8 5.0 1126 861 A 99 ARG H A 97 LYS H 1.0 1.8 5.0 1127 862 A 98 HIS HA A 101 ALA HB% 1.0 1.8 5.0 1128 863 A 98 HIS HA A 101 ALA H 1.0 1.8 5.0 1129 864 A 99 ARG H A 98 HIS HBx 1.0 1.8 5.0 1130 865 A 98 HIS HBy A 99 ARG H 1.0 1.8 5.0 1131 866 A 98 HIS H A 98 HIS HD2 1.0 1.8 5.0 1132 867 A 98 HIS H A 100 ALA H 1.0 1.8 5.0 1133 868 A 98 HIS H A 98 HIS HBx 1.0 1.8 3.5 1134 868 A 98 HIS HBy A 98 HIS H 1.0 1.8 3.5 1135 869 A 99 ARG H A 98 HIS H 1.0 1.8 3.5 1136 870 A 99 ARG HA A 99 ARG HDx 1.0 1.8 5.0 1137 870 A 99 ARG HDy A 99 ARG HA 1.0 1.8 5.0 1138 871 A 99 ARG H A 100 ALA H 1.0 1.8 5.0 1139 872 A 99 ARG H A 101 ALA H 1.0 1.8 6.0 1140 873 A 99 ARG H A 99 ARG HBx 1.0 1.8 3.5 1141 873 A 99 ARG H A 99 ARG HBy 1.0 1.8 3.5 1142 874 A 99 ARG H A 99 ARG HGy 1.0 1.8 5.0 1143 874 A 99 ARG H A 99 ARG HGx 1.0 1.8 5.0 1144 875 A 100 ALA HB% A 100 ALA H 1.0 1.8 3.5 1145 876 A 101 ALA HB% A 103 SER H 1.0 1.8 5.0 1146 877 A 101 ALA H A 102 GLY H 1.0 1.8 6.0 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 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 31 LEU H A 27 MET O 1.0 1.7 2.3 2 2 A 27 MET O A 31 LEU N 1.0 2.7 3.3 3 3 A 32 LEU H A 28 GLU O 1.0 1.7 2.3 4 4 A 28 GLU O A 32 LEU N 1.0 2.7 3.3 5 5 A 33 THR H A 29 ASP O 1.0 1.7 2.3 6 6 A 29 ASP O A 33 THR N 1.0 2.7 3.3 7 7 A 34 VAL H A 30 HIS O 1.0 1.7 2.3 8 8 A 30 HIS O A 34 VAL N 1.0 2.7 3.3 9 9 A 35 LEU H A 31 LEU O 1.0 1.7 2.3 10 10 A 31 LEU O A 35 LEU N 1.0 2.7 3.3 11 11 A 36 SER H A 32 LEU O 1.0 1.7 2.3 12 12 A 32 LEU O A 36 SER N 1.0 2.7 3.3 13 13 A 37 VAL H A 33 THR O 1.0 1.7 2.3 14 14 A 33 THR O A 37 VAL N 1.0 2.7 3.3 15 15 A 38 ALA H A 34 VAL O 1.0 1.7 2.3 16 16 A 34 VAL O A 38 ALA N 1.0 2.7 3.3 17 17 A 39 SER H A 35 LEU O 1.0 1.7 2.3 18 18 A 35 LEU O A 39 SER N 1.0 2.7 3.3 19 19 A 63 SER H A 59 SER O 1.0 1.7 2.3 20 20 A 59 SER O A 63 SER N 1.0 2.7 3.3 21 21 A 64 GLU H A 60 LEU O 1.0 1.7 2.3 22 22 A 60 LEU O A 64 GLU N 1.0 2.7 3.3 23 23 A 65 LEU H A 61 VAL O 1.0 1.7 2.3 24 24 A 61 VAL O A 65 LEU N 1.0 2.7 3.3 25 25 A 66 SER H A 62 VAL O 1.0 1.7 2.3 26 26 A 62 VAL O A 66 SER N 1.0 2.7 3.3 27 27 A 67 LEU H A 63 SER O 1.0 1.7 2.3 28 28 A 63 SER O A 67 LEU N 1.0 2.7 3.3 29 29 A 68 LYS H A 64 GLU O 1.0 1.7 2.3 30 30 A 64 GLU O A 68 LYS N 1.0 2.7 3.3 31 31 A 69 LEU H A 65 LEU O 1.0 1.7 2.3 32 32 A 65 LEU O A 69 LEU N 1.0 2.7 3.3 33 33 A 70 ARG H A 66 SER O 1.0 1.7 2.3 34 34 A 66 SER O A 70 ARG N 1.0 2.7 3.3 35 35 A 83 ASP H A 79 ASP O 1.0 1.7 2.3 36 36 A 79 ASP O A 83 ASP N 1.0 2.7 3.3 37 37 A 84 LEU H A 80 ASP O 1.0 1.7 2.3 38 38 A 80 ASP O A 84 LEU N 1.0 2.7 3.3 39 39 A 91 LEU H A 87 THR O 1.0 1.7 2.3 40 40 A 87 THR O A 91 LEU N 1.0 2.7 3.3 41 41 A 92 PHE H A 88 VAL O 1.0 1.7 2.3 42 42 A 88 VAL O A 92 PHE N 1.0 2.7 3.3 43 43 A 93 GLN H A 89 ASP O 1.0 1.7 2.3 44 44 A 89 ASP O A 93 GLN N 1.0 2.7 3.3 45 45 A 94 LEU H A 90 GLU O 1.0 1.7 2.3 46 46 A 90 GLU O A 94 LEU N 1.0 2.7 3.3 47 47 A 95 VAL H A 91 LEU O 1.0 1.7 2.3 48 48 A 91 LEU O A 95 VAL N 1.0 2.7 3.3 49 49 A 96 GLU H A 92 PHE O 1.0 1.7 2.3 50 50 A 92 PHE O A 96 GLU N 1.0 2.7 3.3 51 51 A 97 LYS H A 93 GLN O 1.0 1.7 2.3 52 52 A 93 GLN O A 97 LYS N 1.0 2.7 3.3 53 53 A 98 HIS H A 94 LEU O 1.0 1.7 2.3 54 54 A 94 LEU O A 98 HIS N 1.0 2.7 3.3 55 55 A 99 ARG H A 95 VAL O 1.0 1.7 2.3 56 56 A 95 VAL O A 99 ARG N 1.0 2.7 3.3 57 57 A 100 ALA H A 96 GLU O 1.0 1.7 2.3 58 58 A 96 GLU O A 100 ALA N 1.0 2.7 3.3 59 59 A 101 ALA H A 97 LYS O 1.0 1.7 2.3 60 60 A 97 LYS O A 101 ALA N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 27 MET C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -83.3 -43.3 PHI 2 2 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ASP N 1.0 -61.4 -21.4 PSI 3 3 A 28 GLU C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -87.2 -47.2 PHI 4 4 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 HIS N 1.0 -62.0 -22.0 PSI 5 5 A 30 HIS C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -83.9 -43.9 PHI 6 6 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 LEU N 1.0 -62.0 -22.0 PSI 7 7 A 31 LEU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -84.3 -44.3 PHI 8 8 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 THR N 1.0 -56.4 -11.4 PSI 9 9 A 32 LEU C A 33 THR N A 33 THR CA A 33 THR C 1.0 -88.4 -48.4 PHI 10 10 A 33 THR N A 33 THR CA A 33 THR C A 34 VAL N 1.0 -62.4 -22.4 PSI 11 11 A 33 THR C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -82.9 -42.9 PHI 12 12 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 LEU N 1.0 -61.6 -20.8 PSI 13 13 A 34 VAL C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -83.1 -43.1 PHI 14 14 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 SER N 1.0 -61.8 -21.8 PSI 15 15 A 35 LEU C A 36 SER N A 36 SER CA A 36 SER C 1.0 -84.2 -44.2 PHI 16 16 A 36 SER N A 36 SER CA A 36 SER C A 37 VAL N 1.0 -64.0 -24.0 PSI 17 17 A 36 SER C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -88.0 -48.0 PHI 18 18 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 ALA N 1.0 -63.1 -23.1 PSI 19 19 A 37 VAL C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -97.3 -43.7 PHI 20 20 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 SER N 1.0 -51.0 -4.8 PSI 21 21 A 40 GLY C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -132.4 -37.6 PHI 22 22 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 PRO N 1.0 97.4 159.6 PSI 23 23 A 42 PRO C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -75.5 -28.3 PHI 24 24 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 GLU N 1.0 -66.8 -21.2 PSI 25 25 A 43 LYS C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -90.5 -49.5 PHI 26 26 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 GLU N 1.0 -37.1 11.9 PSI 27 27 A 44 GLU C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -121.7 -72.9 PHI 28 28 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ILE N 1.0 -47.2 29.2 PSI 29 29 A 45 GLU C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -161.0 -21.0 PHI 30 30 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 SER N 1.0 89.3 165.9 PSI 31 31 A 58 ASP C A 59 SER N A 59 SER CA A 59 SER C 1.0 -76.1 -36.1 PHI 32 32 A 59 SER N A 59 SER CA A 59 SER C A 60 LEU N 1.0 -54.4 -11.0 PSI 33 33 A 59 SER C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -84.1 -44.1 PHI 34 34 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 VAL N 1.0 -62.1 -22.1 PSI 35 35 A 60 LEU C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -85.6 -45.6 PHI 36 36 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 VAL N 1.0 -63.9 -23.9 PSI 37 37 A 61 VAL C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -83.3 -43.3 PHI 38 38 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 SER N 1.0 -62.9 -22.9 PSI 39 39 A 62 VAL C A 63 SER N A 63 SER CA A 63 SER C 1.0 -84.2 -44.2 PHI 40 40 A 63 SER N A 63 SER CA A 63 SER C A 64 GLU N 1.0 -58.6 -18.6 PSI 41 41 A 63 SER C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -86.7 -46.7 PHI 42 42 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 LEU N 1.0 -63.4 -23.4 PSI 43 43 A 64 GLU C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -83.6 -43.6 PHI 44 44 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 SER N 1.0 -65.1 -25.1 PSI 45 45 A 65 LEU C A 66 SER N A 66 SER CA A 66 SER C 1.0 -82.9 -42.9 PHI 46 46 A 66 SER N A 66 SER CA A 66 SER C A 67 LEU N 1.0 -60.8 -20.8 PSI 47 47 A 66 SER C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -85.3 -45.3 PHI 48 48 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 LYS N 1.0 -61.5 -21.5 PSI 49 49 A 67 LEU C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -85.3 -45.3 PHI 50 50 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 LEU N 1.0 -60.7 -20.7 PSI 51 51 A 68 LYS C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -83.5 -43.5 PHI 52 52 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 ARG N 1.0 -58.0 -18.0 PSI 53 53 A 69 LEU C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -88.2 -48.2 PHI 54 54 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 LYS N 1.0 -61.7 -21.7 PSI 55 55 A 70 ARG C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -98.0 -52.4 PHI 56 56 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 GLU N 1.0 -66.1 -26.1 PSI 57 57 A 71 LYS C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -106.2 -42.2 PHI 58 58 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 PHE N 1.0 -52.3 -12.3 PSI 59 59 A 72 GLU C A 73 PHE N A 73 PHE CA A 73 PHE C 1.0 -125.3 -73.7 PHI 60 60 A 73 PHE N A 73 PHE CA A 73 PHE C A 74 GLY N 1.0 -42.1 36.1 PSI 61 61 A 74 GLY C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -156.8 -16.8 PHI 62 62 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 THR N 1.0 59.5 192.1 PSI 63 63 A 75 VAL C A 76 THR N A 76 THR CA A 76 THR C 1.0 -179.4 -65.4 PHI 64 64 A 76 THR N A 76 THR CA A 76 THR C A 77 GLY N 1.0 129.1 169.1 PSI 65 65 A 78 VAL C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -76.9 -36.9 PHI 66 66 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 ASP N 1.0 -61.7 -21.7 PSI 67 67 A 79 ASP C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -81.5 -41.5 PHI 68 68 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 GLU N 1.0 -62.9 -22.9 PSI 69 69 A 80 ASP C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -87.2 -47.2 PHI 70 70 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 LEU N 1.0 -60.0 -20.0 PSI 71 71 A 81 GLU C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -91.1 -47.9 PHI 72 72 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 ASP N 1.0 -61.3 -8.9 PSI 73 73 A 82 LEU C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -92.1 -43.3 PHI 74 74 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 LEU N 1.0 -51.9 -7.5 PSI 75 75 A 83 ASP C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -116.1 -63.9 PHI 76 76 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 LEU N 1.0 -39.7 18.7 PSI 77 77 A 84 LEU C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -143.7 -50.1 PHI 78 78 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 GLU N 1.0 103.9 185.1 PSI 79 79 A 85 LEU C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -135.0 -44.8 PHI 80 80 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 THR N 1.0 -85.4 22.8 PSI 81 81 A 86 GLU C A 87 THR N A 87 THR CA A 87 THR C 1.0 -182.8 -84.8 PHI 82 82 A 87 THR N A 87 THR CA A 87 THR C A 88 VAL N 1.0 136.5 183.1 PSI 83 83 A 87 THR C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -83.8 -43.8 PHI 84 84 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 ASP N 1.0 -56.8 -16.8 PSI 85 85 A 88 VAL C A 89 ASP N A 89 ASP CA A 89 ASP C 1.0 -84.4 -44.4 PHI 86 86 A 89 ASP N A 89 ASP CA A 89 ASP C A 90 GLU N 1.0 -62.2 -22.2 PSI 87 87 A 89 ASP C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -82.8 -42.8 PHI 88 88 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 LEU N 1.0 -64.1 -24.1 PSI 89 89 A 90 GLU C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -84.6 -44.6 PHI 90 90 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 PHE N 1.0 -62.3 -22.3 PSI 91 91 A 91 LEU C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -84.8 -44.8 PHI 92 92 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 GLN N 1.0 -62.9 -22.9 PSI 93 93 A 92 PHE C A 93 GLN N A 93 GLN CA A 93 GLN C 1.0 -86.2 -46.2 PHI 94 94 A 93 GLN N A 93 GLN CA A 93 GLN C A 94 LEU N 1.0 -60.2 -20.2 PSI 95 95 A 93 GLN C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -85.8 -45.8 PHI 96 96 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 VAL N 1.0 -64.1 -24.1 PSI 97 97 A 94 LEU C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -85.0 -45.0 PHI 98 98 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 GLU N 1.0 -63.4 -23.4 PSI 99 99 A 95 VAL C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -80.9 -40.9 PHI 100 100 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 LYS N 1.0 -62.3 -22.3 PSI 101 101 A 96 GLU C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -79.9 -39.9 PHI 102 102 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 HIS N 1.0 -61.6 -21.6 PSI 103 103 A 97 LYS C A 98 HIS N A 98 HIS CA A 98 HIS C 1.0 -82.8 -42.8 PHI 104 104 A 98 HIS N A 98 HIS CA A 98 HIS C A 99 ARG N 1.0 -59.6 -19.4 PSI 105 105 A 98 HIS C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -87.3 -47.3 PHI 106 106 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 ALA N 1.0 -64.7 -5.7 PSI 107 107 A 99 ARG C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -115.2 -37.8 PHI 108 108 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 ALA N 1.0 -65.7 17.3 PSI stop_ save_ save_NUS_Nnoesy_850MHz _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode NUS_Nnoesy_850MHz _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 13N 19 3 1H 11 stop_ save_ save_Cnoesy_aliph _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 14 2 13C 64 3 1H 11 stop_ save_ save_4D_CC_noesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_CC_noesy_peak_list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 13.3 2 13C 20.7 3 13C 20.7 4 1H 7 stop_ save_