data_nef_c15465_2jv2 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 HIS start . . 2 A 2 HIS middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 MET middle . . 8 A 8 GLU middle . . 9 A 9 GLY middle . false 10 A 10 VAL middle . . 11 A 11 ILE middle . . 12 A 12 MET middle . . 13 A 13 SER middle . . 14 A 14 GLU middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 LYS middle . . 19 A 19 PRO middle . false 20 A 20 LEU middle . . 21 A 21 PRO middle . false 22 A 22 LYS middle . . 23 A 23 VAL middle . . 24 A 24 GLU middle . . 25 A 25 LEU middle . . 26 A 26 PRO middle . false 27 A 27 PRO middle . false 28 A 28 ASP middle . . 29 A 29 PHE middle . . 30 A 30 VAL middle . . 31 A 31 ASP middle . . 32 A 32 VAL middle . . 33 A 33 ILE middle . . 34 A 34 ARG middle . . 35 A 35 ILE middle . . 36 A 36 LYS middle . . 37 A 37 LEU middle . . 38 A 38 GLN middle . . 39 A 39 GLY middle . false 40 A 40 LYS middle . . 41 A 41 THR middle . . 42 A 42 VAL middle . . 43 A 43 ARG middle . . 44 A 44 THR middle . . 45 A 45 GLY middle . false 46 A 46 ASP middle . . 47 A 47 VAL middle . . 48 A 48 ILE middle . . 49 A 49 GLY middle . false 50 A 50 ILE middle . . 51 A 51 SER middle . . 52 A 52 ILE middle . . 53 A 53 LEU middle . . 54 A 54 GLY middle . false 55 A 55 LYS middle . . 56 A 56 GLU middle . . 57 A 57 VAL middle . . 58 A 58 LYS middle . . 59 A 59 PHE middle . . 60 A 60 LYS middle . . 61 A 61 VAL middle . . 62 A 62 VAL middle . . 63 A 63 GLN middle . . 64 A 64 ALA middle . . 65 A 65 TYR middle . . 66 A 66 PRO middle . true 67 A 67 SER middle . . 68 A 68 PRO middle . true 69 A 69 LEU middle . . 70 A 70 ARG middle . . 71 A 71 VAL middle . . 72 A 72 GLU middle . . 73 A 73 ASP middle . . 74 A 74 ARG middle . . 75 A 75 THR middle . . 76 A 76 LYS middle . . 77 A 77 ILE middle . . 78 A 78 THR middle . . 79 A 79 LEU middle . . 80 A 80 VAL middle . . 81 A 81 THR middle . . 82 A 82 HIS middle . . 83 A 83 PRO end . false 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 9 GLY H H 1 8.39 0.02 A 9 GLY HAy H 1 3.90 0.02 A 9 GLY HAx H 1 3.86 0.02 A 9 GLY CA C 13 45.15 0.05 A 9 GLY N N 15 110.00 0.05 A 10 VAL H H 1 7.87 0.02 A 10 VAL HA H 1 4.04 0.02 A 10 VAL HB H 1 1.95 0.02 A 10 VAL HG1% H 1 0.81 0.02 A 10 VAL HG2% H 1 0.81 0.02 A 10 VAL C C 13 175.88 0.05 A 10 VAL CA C 13 62.11 0.05 A 10 VAL CB C 13 32.76 0.05 A 10 VAL CG1 C 13 20.72 0.05 A 10 VAL CG2 C 13 20.72 0.05 A 10 VAL N N 15 119.73 0.05 A 11 ILE H H 1 8.23 0.02 A 11 ILE HA H 1 4.09 0.02 A 11 ILE HB H 1 1.75 0.02 A 11 ILE HD1% H 1 0.71 0.02 A 11 ILE HG1y H 1 1.39 0.02 A 11 ILE HG1x H 1 1.07 0.02 A 11 ILE HG2% H 1 0.77 0.02 A 11 ILE C C 13 175.85 0.05 A 11 ILE CA C 13 60.80 0.05 A 11 ILE CB C 13 38.47 0.05 A 11 ILE CD1 C 13 12.54 0.05 A 11 ILE CG1 C 13 27.13 0.05 A 11 ILE CG2 C 13 17.41 0.05 A 11 ILE N N 15 125.57 0.05 A 12 MET H H 1 8.37 0.02 A 12 MET HA H 1 4.54 0.02 A 12 MET HB2 H 1 2.03 0.02 A 12 MET HB3 H 1 1.95 0.02 A 12 MET HE% H 1 2.00 0.02 A 12 MET HGy H 1 2.54 0.02 A 12 MET HGx H 1 2.45 0.02 A 12 MET C C 13 174.83 0.05 A 12 MET CA C 13 54.79 0.05 A 12 MET CB C 13 32.64 0.05 A 12 MET CE C 13 16.91 0.05 A 12 MET CG C 13 31.92 0.05 A 12 MET N N 15 125.93 0.05 A 13 SER H H 1 7.99 0.02 A 13 SER HA H 1 5.03 0.02 A 13 SER HB2 H 1 3.97 0.02 A 13 SER HB3 H 1 3.85 0.02 A 13 SER C C 13 174.33 0.05 A 13 SER CA C 13 57.32 0.05 A 13 SER CB C 13 64.79 0.05 A 13 SER N N 15 116.40 0.05 A 14 GLU H H 1 9.43 0.02 A 14 GLU HA H 1 5.25 0.02 A 14 GLU HB2 H 1 1.93 0.02 A 14 GLU HB3 H 1 1.93 0.02 A 14 GLU HGy H 1 2.09 0.02 A 14 GLU HGx H 1 1.98 0.02 A 14 GLU C C 13 172.98 0.05 A 14 GLU CA C 13 55.39 0.05 A 14 GLU CB C 13 33.91 0.05 A 14 GLU CG C 13 36.23 0.05 A 14 GLU N N 15 123.67 0.05 A 15 LEU H H 1 8.93 0.02 A 15 LEU HA H 1 4.87 0.02 A 15 LEU HB2 H 1 1.58 0.02 A 15 LEU HB3 H 1 1.23 0.02 A 15 LEU HDx% H 1 0.70 0.02 A 15 LEU HDy% H 1 0.80 0.02 A 15 LEU HG H 1 1.34 0.02 A 15 LEU C C 13 174.00 0.05 A 15 LEU CA C 13 53.02 0.05 A 15 LEU CB C 13 46.04 0.05 A 15 LEU CDy C 13 26.20 0.05 A 15 LEU CDx C 13 26.14 0.05 A 15 LEU CG C 13 26.50 0.05 A 15 LEU N N 15 125.35 0.05 A 16 LYS H H 1 8.84 0.02 A 16 LYS HA H 1 5.36 0.02 A 16 LYS HB2 H 1 1.73 0.02 A 16 LYS HB3 H 1 1.49 0.02 A 16 LYS HD2 H 1 1.55 0.02 A 16 LYS HD3 H 1 1.55 0.02 A 16 LYS HE2 H 1 2.77 0.02 A 16 LYS HE3 H 1 2.77 0.02 A 16 LYS HGy H 1 1.36 0.02 A 16 LYS HGx H 1 1.13 0.02 A 16 LYS C C 13 175.66 0.05 A 16 LYS CA C 13 54.94 0.05 A 16 LYS CB C 13 34.28 0.05 A 16 LYS CD C 13 29.47 0.05 A 16 LYS CE C 13 42.06 0.05 A 16 LYS CG C 13 25.44 0.05 A 16 LYS N N 15 124.64 0.05 A 17 LEU H H 1 8.82 0.02 A 17 LEU HA H 1 5.43 0.02 A 17 LEU HB2 H 1 1.66 0.02 A 17 LEU HB3 H 1 1.29 0.02 A 17 LEU HD1% H 1 0.38 0.02 A 17 LEU HD2% H 1 0.66 0.02 A 17 LEU HG H 1 1.44 0.02 A 17 LEU C C 13 174.63 0.05 A 17 LEU CA C 13 52.90 0.05 A 17 LEU CB C 13 46.91 0.05 A 17 LEU CD1 C 13 26.20 0.05 A 17 LEU CD2 C 13 25.33 0.05 A 17 LEU CG C 13 26.55 0.05 A 17 LEU N N 15 123.46 0.05 A 18 LYS H H 1 9.11 0.02 A 18 LYS HA H 1 5.49 0.02 A 18 LYS HB2 H 1 1.57 0.02 A 18 LYS HB3 H 1 1.75 0.02 A 18 LYS HD2 H 1 1.49 0.02 A 18 LYS HD3 H 1 1.49 0.02 A 18 LYS HE2 H 1 2.76 0.02 A 18 LYS HE3 H 1 2.76 0.02 A 18 LYS HGy H 1 1.39 0.02 A 18 LYS HGx H 1 1.32 0.02 A 18 LYS CA C 13 52.27 0.05 A 18 LYS CB C 13 37.50 0.05 A 18 LYS CD C 13 29.66 0.05 A 18 LYS CE C 13 42.06 0.05 A 18 LYS CG C 13 24.04 0.05 A 18 LYS N N 15 122.23 0.05 A 19 PRO HA H 1 4.10 0.02 A 19 PRO HB2 H 1 1.96 0.02 A 19 PRO HB3 H 1 1.96 0.02 A 19 PRO HDy H 1 4.07 0.02 A 19 PRO HDx H 1 3.76 0.02 A 19 PRO HGy H 1 2.25 0.02 A 19 PRO HGx H 1 1.87 0.02 A 19 PRO CA C 13 62.44 0.05 A 19 PRO CB C 13 30.64 0.05 A 19 PRO CD C 13 51.09 0.05 A 19 PRO CG C 13 27.31 0.05 A 20 LEU H H 1 8.49 0.02 A 20 LEU HA H 1 4.32 0.02 A 20 LEU HB2 H 1 1.60 0.02 A 20 LEU HB3 H 1 1.46 0.02 A 20 LEU HD1% H 1 0.78 0.02 A 20 LEU HD2% H 1 0.78 0.02 A 20 LEU HG H 1 1.51 0.02 A 20 LEU CA C 13 57.68 0.05 A 20 LEU CB C 13 38.76 0.05 A 20 LEU CD1 C 13 25.46 0.05 A 20 LEU CD2 C 13 23.38 0.05 A 20 LEU CG C 13 28.46 0.05 A 20 LEU N N 15 123.25 0.05 A 21 PRO HA H 1 4.53 0.02 A 21 PRO HB2 H 1 1.70 0.02 A 21 PRO HB3 H 1 1.70 0.02 A 21 PRO HD2 H 1 3.50 0.02 A 21 PRO HD3 H 1 3.64 0.02 A 21 PRO HGy H 1 2.07 0.02 A 21 PRO HGx H 1 1.72 0.02 A 21 PRO CA C 13 62.88 0.05 A 21 PRO CB C 13 31.42 0.05 A 21 PRO CD C 13 49.45 0.05 A 21 PRO CG C 13 27.45 0.05 A 22 LYS H H 1 8.18 0.02 A 22 LYS HA H 1 4.11 0.02 A 22 LYS HBy H 1 1.71 0.02 A 22 LYS HBx H 1 1.62 0.02 A 22 LYS HD2 H 1 1.61 0.02 A 22 LYS HD3 H 1 1.61 0.02 A 22 LYS HE2 H 1 2.90 0.02 A 22 LYS HE3 H 1 2.90 0.02 A 22 LYS HGy H 1 1.30 0.02 A 22 LYS HGx H 1 1.18 0.02 A 22 LYS C C 13 175.68 0.05 A 22 LYS CA C 13 56.21 0.05 A 22 LYS CB C 13 30.66 0.05 A 22 LYS CD C 13 28.92 0.05 A 22 LYS CE C 13 42.05 0.05 A 22 LYS CG C 13 24.71 0.05 A 22 LYS N N 15 119.16 0.05 A 23 VAL H H 1 7.53 0.02 A 23 VAL HA H 1 4.28 0.02 A 23 VAL HB H 1 1.86 0.02 A 23 VAL HG1% H 1 0.67 0.02 A 23 VAL HG2% H 1 0.67 0.02 A 23 VAL C C 13 173.69 0.05 A 23 VAL CA C 13 59.83 0.05 A 23 VAL CB C 13 34.55 0.05 A 23 VAL CG1 C 13 20.11 0.05 A 23 VAL CG2 C 13 20.11 0.05 A 23 VAL N N 15 121.82 0.05 A 24 GLU H H 1 8.27 0.02 A 24 GLU HA H 1 4.33 0.02 A 24 GLU HBy H 1 1.83 0.02 A 24 GLU HBx H 1 1.78 0.02 A 24 GLU HGy H 1 2.14 0.02 A 24 GLU HGx H 1 2.07 0.02 A 24 GLU C C 13 175.39 0.05 A 24 GLU CA C 13 55.22 0.05 A 24 GLU CB C 13 29.97 0.05 A 24 GLU CG C 13 36.07 0.05 A 24 GLU N N 15 125.61 0.05 A 25 LEU H H 1 8.48 0.02 A 25 LEU HA H 1 4.52 0.02 A 25 LEU HB2 H 1 1.54 0.02 A 25 LEU HB3 H 1 1.05 0.02 A 25 LEU HD1% H 1 0.69 0.02 A 25 LEU HD2% H 1 0.48 0.02 A 25 LEU HG H 1 1.47 0.02 A 25 LEU CA C 13 51.66 0.05 A 25 LEU CB C 13 41.75 0.05 A 25 LEU CD1 C 13 25.84 0.05 A 25 LEU CD2 C 13 23.10 0.05 A 25 LEU CG C 13 26.17 0.05 A 25 LEU N N 15 125.88 0.05 A 26 PRO HA H 1 4.76 0.02 A 26 PRO HB2 H 1 2.09 0.02 A 26 PRO HB3 H 1 2.41 0.02 A 26 PRO HDy H 1 3.69 0.02 A 26 PRO HDx H 1 3.17 0.02 A 26 PRO HGy H 1 2.07 0.02 A 26 PRO HGx H 1 1.95 0.02 A 26 PRO CA C 13 61.33 0.05 A 26 PRO CB C 13 31.06 0.05 A 26 PRO CD C 13 50.10 0.05 A 26 PRO CG C 13 27.30 0.05 A 27 PRO HA H 1 4.39 0.02 A 27 PRO HB2 H 1 1.97 0.02 A 27 PRO HB3 H 1 2.38 0.02 A 27 PRO HDy H 1 3.82 0.02 A 27 PRO HDx H 1 3.72 0.02 A 27 PRO HG2 H 1 2.07 0.02 A 27 PRO HG3 H 1 2.07 0.02 A 27 PRO CA C 13 64.55 0.05 A 27 PRO CB C 13 31.77 0.05 A 27 PRO CD C 13 50.35 0.05 A 27 PRO CG C 13 27.46 0.05 A 28 ASP H H 1 8.56 0.02 A 28 ASP HA H 1 4.62 0.02 A 28 ASP HB2 H 1 2.89 0.02 A 28 ASP HB3 H 1 2.69 0.02 A 28 ASP C C 13 177.10 0.05 A 28 ASP CA C 13 53.89 0.05 A 28 ASP CB C 13 39.12 0.05 A 28 ASP N N 15 115.82 0.05 A 29 PHE H H 1 7.94 0.02 A 29 PHE HA H 1 4.18 0.02 A 29 PHE HB2 H 1 2.95 0.02 A 29 PHE HB3 H 1 3.33 0.02 A 29 PHE HD1 H 1 7.15 0.02 A 29 PHE HD2 H 1 7.15 0.02 A 29 PHE HE1 H 1 6.92 0.02 A 29 PHE HE2 H 1 6.92 0.02 A 29 PHE HZ H 1 7.15 0.02 A 29 PHE C C 13 176.74 0.05 A 29 PHE CA C 13 61.02 0.05 A 29 PHE CB C 13 39.23 0.05 A 29 PHE CD1 C 13 131.52 0.05 A 29 PHE CD2 C 13 131.52 0.05 A 29 PHE CE1 C 13 131.27 0.05 A 29 PHE CE2 C 13 131.27 0.05 A 29 PHE CZ C 13 128.23 0.05 A 29 PHE N N 15 119.61 0.05 A 30 VAL H H 1 8.01 0.02 A 30 VAL HA H 1 3.35 0.02 A 30 VAL HB H 1 1.97 0.02 A 30 VAL HG1% H 1 0.88 0.02 A 30 VAL HG2% H 1 0.88 0.02 A 30 VAL C C 13 176.40 0.05 A 30 VAL CA C 13 66.51 0.05 A 30 VAL CB C 13 31.02 0.05 A 30 VAL CG1 C 13 21.47 0.05 A 30 VAL CG2 C 13 21.47 0.05 A 30 VAL N N 15 116.37 0.05 A 31 ASP H H 1 7.42 0.02 A 31 ASP HA H 1 4.31 0.02 A 31 ASP HBy H 1 2.69 0.02 A 31 ASP HBx H 1 2.61 0.02 A 31 ASP C C 13 178.36 0.05 A 31 ASP CA C 13 57.11 0.05 A 31 ASP CB C 13 40.45 0.05 A 31 ASP N N 15 119.19 0.05 A 32 VAL H H 1 7.19 0.02 A 32 VAL HA H 1 3.51 0.02 A 32 VAL HB H 1 1.70 0.02 A 32 VAL HG1% H 1 0.74 0.02 A 32 VAL HG2% H 1 0.87 0.02 A 32 VAL C C 13 178.10 0.05 A 32 VAL CA C 13 65.57 0.05 A 32 VAL CB C 13 31.41 0.05 A 32 VAL CG1 C 13 21.50 0.05 A 32 VAL CG2 C 13 21.50 0.05 A 32 VAL N N 15 119.83 0.05 A 33 ILE H H 1 7.66 0.02 A 33 ILE HA H 1 3.17 0.02 A 33 ILE HB H 1 1.57 0.02 A 33 ILE HD1% H 1 0.37 0.02 A 33 ILE HG12 H 1 0.48 0.02 A 33 ILE HG13 H 1 1.30 0.02 A 33 ILE HG2% H 1 0.40 0.02 A 33 ILE C C 13 176.66 0.05 A 33 ILE CA C 13 65.22 0.05 A 33 ILE CB C 13 37.50 0.05 A 33 ILE CD1 C 13 13.94 0.05 A 33 ILE CG1 C 13 28.66 0.05 A 33 ILE CG2 C 13 17.55 0.05 A 33 ILE N N 15 118.49 0.05 A 34 ARG H H 1 7.83 0.02 A 34 ARG HA H 1 3.38 0.02 A 34 ARG HB2 H 1 1.80 0.02 A 34 ARG HB3 H 1 1.80 0.02 A 34 ARG HDy H 1 3.34 0.02 A 34 ARG HDx H 1 3.24 0.02 A 34 ARG HE H 1 7.31 0.02 A 34 ARG HG2 H 1 1.41 0.02 A 34 ARG HG3 H 1 1.41 0.02 A 34 ARG C C 13 178.06 0.05 A 34 ARG CA C 13 60.57 0.05 A 34 ARG CB C 13 30.07 0.05 A 34 ARG CD C 13 43.22 0.05 A 34 ARG CG C 13 27.75 0.05 A 34 ARG N N 15 118.26 0.05 A 34 ARG NE N 15 83.28 0.05 A 35 ILE H H 1 7.35 0.02 A 35 ILE HA H 1 3.72 0.02 A 35 ILE HB H 1 1.87 0.02 A 35 ILE HD1% H 1 0.79 0.02 A 35 ILE HG12 H 1 1.61 0.02 A 35 ILE HG13 H 1 1.18 0.02 A 35 ILE HG2% H 1 0.87 0.02 A 35 ILE C C 13 179.09 0.05 A 35 ILE CA C 13 64.06 0.05 A 35 ILE CB C 13 38.03 0.05 A 35 ILE CD1 C 13 12.81 0.05 A 35 ILE CG1 C 13 29.10 0.05 A 35 ILE CG2 C 13 17.26 0.05 A 35 ILE N N 15 116.75 0.05 A 36 LYS H H 1 7.88 0.02 A 36 LYS HA H 1 4.09 0.02 A 36 LYS HB2 H 1 1.80 0.02 A 36 LYS HB3 H 1 1.80 0.02 A 36 LYS HD2 H 1 1.67 0.02 A 36 LYS HD3 H 1 1.67 0.02 A 36 LYS HEy H 1 3.01 0.02 A 36 LYS HEx H 1 2.91 0.02 A 36 LYS HGy H 1 1.55 0.02 A 36 LYS HGx H 1 1.43 0.02 A 36 LYS C C 13 178.56 0.05 A 36 LYS CA C 13 57.65 0.05 A 36 LYS CB C 13 32.09 0.05 A 36 LYS CD C 13 28.45 0.05 A 36 LYS CE C 13 42.26 0.05 A 36 LYS CG C 13 25.35 0.05 A 36 LYS N N 15 118.70 0.05 A 37 LEU H H 1 7.86 0.02 A 37 LEU HA H 1 4.23 0.02 A 37 LEU HB2 H 1 1.55 0.02 A 37 LEU HB3 H 1 1.45 0.02 A 37 LEU HD1% H 1 0.50 0.02 A 37 LEU HD2% H 1 0.62 0.02 A 37 LEU HG H 1 1.62 0.02 A 37 LEU C C 13 175.88 0.05 A 37 LEU CA C 13 54.09 0.05 A 37 LEU CB C 13 43.31 0.05 A 37 LEU CD1 C 13 26.02 0.05 A 37 LEU CD2 C 13 22.60 0.05 A 37 LEU CG C 13 26.24 0.05 A 37 LEU N N 15 116.38 0.05 A 38 GLN H H 1 7.19 0.02 A 38 GLN HA H 1 3.53 0.02 A 38 GLN HBy H 1 2.11 0.02 A 38 GLN HBx H 1 1.96 0.02 A 38 GLN HE21 H 1 7.32 0.02 A 38 GLN HE22 H 1 6.53 0.02 A 38 GLN HGy H 1 2.44 0.02 A 38 GLN HGx H 1 2.27 0.02 A 38 GLN C C 13 177.48 0.05 A 38 GLN CA C 13 58.37 0.05 A 38 GLN CB C 13 28.30 0.05 A 38 GLN CG C 13 33.54 0.05 A 38 GLN N N 15 119.21 0.05 A 38 GLN NE2 N 15 110.80 0.05 A 39 GLY H H 1 8.94 0.02 A 39 GLY HA2 H 1 3.54 0.02 A 39 GLY HA3 H 1 4.22 0.02 A 39 GLY C C 13 174.07 0.05 A 39 GLY CA C 13 45.28 0.05 A 39 GLY N N 15 113.49 0.05 A 40 LYS H H 1 8.35 0.02 A 40 LYS HA H 1 4.40 0.02 A 40 LYS HB2 H 1 1.88 0.02 A 40 LYS HB3 H 1 1.71 0.02 A 40 LYS HD2 H 1 1.61 0.02 A 40 LYS HD3 H 1 1.61 0.02 A 40 LYS HE2 H 1 3.01 0.02 A 40 LYS HE3 H 1 3.01 0.02 A 40 LYS HGy H 1 1.36 0.02 A 40 LYS HGx H 1 1.29 0.02 A 40 LYS C C 13 175.56 0.05 A 40 LYS CA C 13 55.66 0.05 A 40 LYS CB C 13 32.87 0.05 A 40 LYS CD C 13 28.80 0.05 A 40 LYS CE C 13 42.26 0.05 A 40 LYS CG C 13 25.48 0.05 A 40 LYS N N 15 122.06 0.05 A 41 THR H H 1 8.41 0.02 A 41 THR HA H 1 5.33 0.02 A 41 THR HB H 1 3.89 0.02 A 41 THR HG2% H 1 0.98 0.02 A 41 THR C C 13 174.86 0.05 A 41 THR CA C 13 62.04 0.05 A 41 THR CB C 13 69.42 0.05 A 41 THR CG2 C 13 21.62 0.05 A 41 THR N N 15 118.15 0.05 A 42 VAL H H 1 9.14 0.02 A 42 VAL HA H 1 4.57 0.02 A 42 VAL HB H 1 1.94 0.02 A 42 VAL HG1% H 1 0.84 0.02 A 42 VAL HG2% H 1 0.74 0.02 A 42 VAL C C 13 172.97 0.05 A 42 VAL CA C 13 59.45 0.05 A 42 VAL CB C 13 35.88 0.05 A 42 VAL CG1 C 13 22.80 0.05 A 42 VAL CG2 C 13 20.18 0.05 A 42 VAL N N 15 122.51 0.05 A 43 ARG H H 1 8.42 0.02 A 43 ARG HA H 1 4.75 0.02 A 43 ARG HB2 H 1 1.59 0.02 A 43 ARG HB3 H 1 1.59 0.02 A 43 ARG HDy H 1 3.16 0.02 A 43 ARG HDx H 1 3.07 0.02 A 43 ARG HG2 H 1 1.43 0.02 A 43 ARG HG3 H 1 1.43 0.02 A 43 ARG C C 13 175.65 0.05 A 43 ARG CA C 13 53.65 0.05 A 43 ARG CB C 13 33.87 0.05 A 43 ARG CD C 13 43.23 0.05 A 43 ARG CG C 13 27.60 0.05 A 43 ARG N N 15 120.64 0.05 A 44 THR H H 1 8.37 0.02 A 44 THR HA H 1 3.41 0.02 A 44 THR HB H 1 3.93 0.02 A 44 THR HG2% H 1 1.22 0.02 A 44 THR C C 13 175.02 0.05 A 44 THR CA C 13 65.66 0.05 A 44 THR CB C 13 69.40 0.05 A 44 THR CG2 C 13 22.87 0.05 A 44 THR N N 15 118.59 0.05 A 45 GLY H H 1 9.09 0.02 A 45 GLY HA2 H 1 3.47 0.02 A 45 GLY HA3 H 1 4.47 0.02 A 45 GLY C C 13 174.35 0.05 A 45 GLY CA C 13 45.00 0.05 A 45 GLY N N 15 117.35 0.05 A 46 ASP H H 1 8.01 0.02 A 46 ASP HA H 1 4.47 0.02 A 46 ASP HB2 H 1 2.75 0.02 A 46 ASP HB3 H 1 2.49 0.02 A 46 ASP C C 13 174.57 0.05 A 46 ASP CA C 13 55.57 0.05 A 46 ASP CB C 13 41.68 0.05 A 46 ASP N N 15 122.24 0.05 A 47 VAL H H 1 8.33 0.02 A 47 VAL HA H 1 4.95 0.02 A 47 VAL HB H 1 1.88 0.02 A 47 VAL HG1% H 1 0.79 0.02 A 47 VAL HG2% H 1 0.92 0.02 A 47 VAL C C 13 176.33 0.05 A 47 VAL CA C 13 61.71 0.05 A 47 VAL CB C 13 32.90 0.05 A 47 VAL CG1 C 13 21.46 0.05 A 47 VAL CG2 C 13 21.46 0.05 A 47 VAL N N 15 119.86 0.05 A 48 ILE H H 1 9.16 0.02 A 48 ILE HA H 1 4.63 0.02 A 48 ILE HB H 1 1.71 0.02 A 48 ILE HD1% H 1 0.69 0.02 A 48 ILE HG1y H 1 1.45 0.02 A 48 ILE HG1x H 1 1.07 0.02 A 48 ILE HG2% H 1 0.83 0.02 A 48 ILE C C 13 174.40 0.05 A 48 ILE CA C 13 58.99 0.05 A 48 ILE CB C 13 41.81 0.05 A 48 ILE CD1 C 13 14.37 0.05 A 48 ILE CG1 C 13 26.73 0.05 A 48 ILE CG2 C 13 17.72 0.05 A 48 ILE N N 15 124.99 0.05 A 49 GLY H H 1 8.66 0.02 A 49 GLY HA2 H 1 4.95 0.02 A 49 GLY HA3 H 1 3.62 0.02 A 49 GLY C C 13 172.92 0.05 A 49 GLY CA C 13 44.58 0.05 A 49 GLY N N 15 112.06 0.05 A 50 ILE H H 1 8.81 0.02 A 50 ILE HA H 1 4.37 0.02 A 50 ILE HB H 1 1.86 0.02 A 50 ILE HD1% H 1 0.47 0.02 A 50 ILE HG12 H 1 1.07 0.02 A 50 ILE HG13 H 1 1.40 0.02 A 50 ILE HG2% H 1 0.79 0.02 A 50 ILE C C 13 174.50 0.05 A 50 ILE CA C 13 59.55 0.05 A 50 ILE CB C 13 41.30 0.05 A 50 ILE CD1 C 13 13.25 0.05 A 50 ILE CG1 C 13 26.72 0.05 A 50 ILE CG2 C 13 17.56 0.05 A 50 ILE N N 15 123.22 0.05 A 51 SER H H 1 8.54 0.02 A 51 SER HA H 1 4.83 0.02 A 51 SER HB2 H 1 3.63 0.02 A 51 SER HB3 H 1 3.63 0.02 A 51 SER C C 13 174.13 0.05 A 51 SER CA C 13 57.77 0.05 A 51 SER CB C 13 63.04 0.05 A 51 SER N N 15 121.43 0.05 A 52 ILE H H 1 8.93 0.02 A 52 ILE HA H 1 4.29 0.02 A 52 ILE HB H 1 1.79 0.02 A 52 ILE HD1% H 1 0.79 0.02 A 52 ILE HG12 H 1 1.55 0.02 A 52 ILE HG13 H 1 1.55 0.02 A 52 ILE HG2% H 1 0.78 0.02 A 52 ILE C C 13 175.28 0.05 A 52 ILE CA C 13 60.25 0.05 A 52 ILE CB C 13 39.84 0.05 A 52 ILE CD1 C 13 13.44 0.05 A 52 ILE CG1 C 13 26.96 0.05 A 52 ILE CG2 C 13 17.09 0.05 A 52 ILE N N 15 127.06 0.05 A 53 LEU H H 1 9.38 0.02 A 53 LEU HA H 1 3.89 0.02 A 53 LEU HBy H 1 1.80 0.02 A 53 LEU HBx H 1 1.65 0.02 A 53 LEU HDx% H 1 0.89 0.02 A 53 LEU HDy% H 1 0.85 0.02 A 53 LEU HG H 1 1.55 0.02 A 53 LEU C C 13 177.13 0.05 A 53 LEU CA C 13 55.56 0.05 A 53 LEU CB C 13 39.37 0.05 A 53 LEU CDy C 13 25.48 0.05 A 53 LEU CDx C 13 22.78 0.05 A 53 LEU CG C 13 26.96 0.05 A 53 LEU N N 15 126.77 0.05 A 54 GLY H H 1 8.31 0.02 A 54 GLY HA2 H 1 3.49 0.02 A 54 GLY HA3 H 1 4.08 0.02 A 54 GLY C C 13 173.69 0.05 A 54 GLY CA C 13 45.34 0.05 A 54 GLY N N 15 103.82 0.05 A 55 LYS H H 1 7.73 0.02 A 55 LYS HA H 1 4.56 0.02 A 55 LYS HBy H 1 1.74 0.02 A 55 LYS HBx H 1 1.68 0.02 A 55 LYS HD2 H 1 1.61 0.02 A 55 LYS HD3 H 1 1.61 0.02 A 55 LYS HE2 H 1 2.93 0.02 A 55 LYS HE3 H 1 2.93 0.02 A 55 LYS HG2 H 1 1.31 0.02 A 55 LYS HG3 H 1 1.31 0.02 A 55 LYS C C 13 174.55 0.05 A 55 LYS CA C 13 54.14 0.05 A 55 LYS CB C 13 34.62 0.05 A 55 LYS CD C 13 29.03 0.05 A 55 LYS CE C 13 42.24 0.05 A 55 LYS CG C 13 24.26 0.05 A 55 LYS N N 15 121.16 0.05 A 56 GLU H H 1 8.49 0.02 A 56 GLU HA H 1 4.28 0.02 A 56 GLU HBy H 1 1.85 0.02 A 56 GLU HBx H 1 1.81 0.02 A 56 GLU HGy H 1 1.89 0.02 A 56 GLU HGx H 1 1.79 0.02 A 56 GLU C C 13 175.73 0.05 A 56 GLU CA C 13 56.73 0.05 A 56 GLU CB C 13 30.07 0.05 A 56 GLU CG C 13 37.04 0.05 A 56 GLU N N 15 124.09 0.05 A 57 VAL H H 1 8.92 0.02 A 57 VAL HA H 1 4.03 0.02 A 57 VAL HB H 1 2.00 0.02 A 57 VAL HG1% H 1 0.86 0.02 A 57 VAL HG2% H 1 0.42 0.02 A 57 VAL C C 13 174.61 0.05 A 57 VAL CA C 13 61.68 0.05 A 57 VAL CB C 13 33.88 0.05 A 57 VAL CG1 C 13 21.78 0.05 A 57 VAL CG2 C 13 21.76 0.05 A 57 VAL N N 15 129.96 0.05 A 58 LYS H H 1 7.86 0.02 A 58 LYS HA H 1 5.12 0.02 A 58 LYS HB2 H 1 1.65 0.02 A 58 LYS HB3 H 1 1.42 0.02 A 58 LYS HD2 H 1 1.44 0.02 A 58 LYS HD3 H 1 1.44 0.02 A 58 LYS HE2 H 1 2.81 0.02 A 58 LYS HE3 H 1 2.81 0.02 A 58 LYS HGy H 1 1.41 0.02 A 58 LYS HGx H 1 1.21 0.02 A 58 LYS C C 13 175.38 0.05 A 58 LYS CA C 13 55.20 0.05 A 58 LYS CB C 13 34.67 0.05 A 58 LYS CD C 13 29.03 0.05 A 58 LYS CE C 13 42.06 0.05 A 58 LYS CG C 13 25.41 0.05 A 58 LYS N N 15 124.79 0.05 A 59 PHE H H 1 9.27 0.02 A 59 PHE HA H 1 4.96 0.02 A 59 PHE HB2 H 1 2.76 0.02 A 59 PHE HB3 H 1 2.53 0.02 A 59 PHE HD1 H 1 6.99 0.02 A 59 PHE HD2 H 1 6.99 0.02 A 59 PHE HE1 H 1 6.85 0.02 A 59 PHE HE2 H 1 6.85 0.02 A 59 PHE HZ H 1 7.03 0.02 A 59 PHE C C 13 173.95 0.05 A 59 PHE CA C 13 55.91 0.05 A 59 PHE CB C 13 42.95 0.05 A 59 PHE CD1 C 13 132.11 0.05 A 59 PHE CD2 C 13 132.11 0.05 A 59 PHE CE1 C 13 131.92 0.05 A 59 PHE CE2 C 13 131.92 0.05 A 59 PHE CZ C 13 130.37 0.05 A 59 PHE N N 15 118.27 0.05 A 60 LYS H H 1 9.17 0.02 A 60 LYS HA H 1 4.91 0.02 A 60 LYS HB2 H 1 1.65 0.02 A 60 LYS HB3 H 1 1.84 0.02 A 60 LYS HDy H 1 1.61 0.02 A 60 LYS HDx H 1 1.49 0.02 A 60 LYS HE2 H 1 2.86 0.02 A 60 LYS HE3 H 1 2.86 0.02 A 60 LYS HGy H 1 1.23 0.02 A 60 LYS HGx H 1 1.06 0.02 A 60 LYS C C 13 176.23 0.05 A 60 LYS CA C 13 53.91 0.05 A 60 LYS CB C 13 35.17 0.05 A 60 LYS CD C 13 29.14 0.05 A 60 LYS CE C 13 42.05 0.05 A 60 LYS CG C 13 24.67 0.05 A 60 LYS N N 15 121.96 0.05 A 61 VAL H H 1 9.40 0.02 A 61 VAL HA H 1 4.17 0.02 A 61 VAL HB H 1 2.41 0.02 A 61 VAL HG1% H 1 0.65 0.02 A 61 VAL HG2% H 1 0.78 0.02 A 61 VAL C C 13 175.50 0.05 A 61 VAL CA C 13 61.98 0.05 A 61 VAL CB C 13 29.49 0.05 A 61 VAL CG1 C 13 22.96 0.05 A 61 VAL CG2 C 13 20.47 0.05 A 61 VAL N N 15 127.14 0.05 A 62 VAL H H 1 8.39 0.02 A 62 VAL HA H 1 3.65 0.02 A 62 VAL HB H 1 1.71 0.02 A 62 VAL HG1% H 1 0.91 0.02 A 62 VAL HG2% H 1 0.89 0.02 A 62 VAL C C 13 176.44 0.05 A 62 VAL CA C 13 64.93 0.05 A 62 VAL CB C 13 32.13 0.05 A 62 VAL CG1 C 13 20.96 0.05 A 62 VAL CG2 C 13 22.42 0.05 A 62 VAL N N 15 132.84 0.05 A 63 GLN H H 1 7.47 0.02 A 63 GLN HA H 1 4.27 0.02 A 63 GLN HB2 H 1 1.67 0.02 A 63 GLN HB3 H 1 1.67 0.02 A 63 GLN HE2x H 1 6.74 0.02 A 63 GLN HE2y H 1 7.32 0.02 A 63 GLN HGy H 1 2.14 0.02 A 63 GLN HGx H 1 1.93 0.02 A 63 GLN C C 13 172.29 0.05 A 63 GLN CA C 13 56.64 0.05 A 63 GLN CB C 13 32.63 0.05 A 63 GLN CG C 13 33.68 0.05 A 63 GLN N N 15 114.50 0.05 A 63 GLN NE2 N 15 110.80 0.05 A 64 ALA H H 1 8.20 0.02 A 64 ALA HA H 1 4.83 0.02 A 64 ALA HB% H 1 1.17 0.02 A 64 ALA C C 13 174.27 0.05 A 64 ALA CA C 13 50.80 0.05 A 64 ALA CB C 13 20.10 0.05 A 64 ALA N N 15 131.41 0.05 A 65 TYR H H 1 8.86 0.02 A 65 TYR HA H 1 4.54 0.02 A 65 TYR HB2 H 1 2.87 0.02 A 65 TYR HB3 H 1 2.72 0.02 A 65 TYR HD1 H 1 7.04 0.02 A 65 TYR HD2 H 1 7.04 0.02 A 65 TYR HE1 H 1 6.70 0.02 A 65 TYR HE2 H 1 6.70 0.02 A 65 TYR CA C 13 54.27 0.05 A 65 TYR CB C 13 41.36 0.05 A 65 TYR CD1 C 13 132.54 0.05 A 65 TYR CD2 C 13 132.54 0.05 A 65 TYR CE1 C 13 118.01 0.05 A 65 TYR CE2 C 13 118.01 0.05 A 65 TYR N N 15 124.14 0.05 A 66 PRO HA H 1 4.12 0.02 A 66 PRO HB2 H 1 1.82 0.02 A 66 PRO HB3 H 1 1.95 0.02 A 66 PRO HDy H 1 3.39 0.02 A 66 PRO HDx H 1 3.09 0.02 A 66 PRO HGy H 1 1.67 0.02 A 66 PRO HGx H 1 1.51 0.02 A 66 PRO CA C 13 63.45 0.05 A 66 PRO CB C 13 34.17 0.05 A 66 PRO CD C 13 49.03 0.05 A 66 PRO CG C 13 24.74 0.05 A 67 SER H H 1 7.38 0.02 A 67 SER HA H 1 4.72 0.02 A 67 SER HB2 H 1 3.80 0.02 A 67 SER HB3 H 1 3.98 0.02 A 67 SER CA C 13 54.25 0.05 A 67 SER CB C 13 64.53 0.05 A 67 SER N N 15 106.20 0.05 A 68 PRO HA H 1 4.88 0.02 A 68 PRO HB2 H 1 1.76 0.02 A 68 PRO HB3 H 1 1.99 0.02 A 68 PRO HDy H 1 3.54 0.02 A 68 PRO HDx H 1 3.49 0.02 A 68 PRO HG2 H 1 1.75 0.02 A 68 PRO HG3 H 1 1.75 0.02 A 68 PRO CA C 13 62.99 0.05 A 68 PRO CB C 13 35.22 0.05 A 68 PRO CD C 13 50.26 0.05 A 68 PRO CG C 13 25.12 0.05 A 69 LEU H H 1 8.96 0.02 A 69 LEU HA H 1 4.43 0.02 A 69 LEU HB2 H 1 1.91 0.02 A 69 LEU HB3 H 1 1.69 0.02 A 69 LEU HD1% H 1 0.76 0.02 A 69 LEU HD2% H 1 0.76 0.02 A 69 LEU HG H 1 1.31 0.02 A 69 LEU C C 13 174.57 0.05 A 69 LEU CA C 13 53.90 0.05 A 69 LEU CB C 13 44.21 0.05 A 69 LEU CD1 C 13 24.88 0.05 A 69 LEU CD2 C 13 24.88 0.05 A 69 LEU CG C 13 26.77 0.05 A 69 LEU N N 15 120.48 0.05 A 70 ARG H H 1 8.13 0.02 A 70 ARG HA H 1 4.93 0.02 A 70 ARG HB2 H 1 1.62 0.02 A 70 ARG HB3 H 1 1.45 0.02 A 70 ARG HD2 H 1 3.04 0.02 A 70 ARG HD3 H 1 3.04 0.02 A 70 ARG HG2 H 1 1.21 0.02 A 70 ARG HG3 H 1 1.21 0.02 A 70 ARG C C 13 175.46 0.05 A 70 ARG CA C 13 54.04 0.05 A 70 ARG CB C 13 30.55 0.05 A 70 ARG CD C 13 43.38 0.05 A 70 ARG CG C 13 27.33 0.05 A 70 ARG N N 15 125.18 0.05 A 71 VAL H H 1 8.45 0.02 A 71 VAL HA H 1 3.41 0.02 A 71 VAL HB H 1 2.24 0.02 A 71 VAL HG1% H 1 0.70 0.02 A 71 VAL HG2% H 1 0.83 0.02 A 71 VAL C C 13 175.46 0.05 A 71 VAL CA C 13 65.21 0.05 A 71 VAL CB C 13 29.84 0.05 A 71 VAL CG1 C 13 21.26 0.05 A 71 VAL CG2 C 13 22.88 0.05 A 71 VAL N N 15 128.17 0.05 A 72 GLU H H 1 8.62 0.02 A 72 GLU HA H 1 4.87 0.02 A 72 GLU HB2 H 1 1.98 0.02 A 72 GLU HB3 H 1 2.20 0.02 A 72 GLU HGy H 1 2.21 0.02 A 72 GLU HGx H 1 2.13 0.02 A 72 GLU C C 13 176.96 0.05 A 72 GLU CA C 13 54.33 0.05 A 72 GLU CB C 13 33.28 0.05 A 72 GLU CG C 13 35.80 0.05 A 72 GLU N N 15 127.67 0.05 A 73 ASP H H 1 8.70 0.02 A 73 ASP HA H 1 4.15 0.02 A 73 ASP HBy H 1 2.63 0.02 A 73 ASP HBx H 1 2.59 0.02 A 73 ASP C C 13 177.46 0.05 A 73 ASP CA C 13 57.62 0.05 A 73 ASP CB C 13 40.36 0.05 A 73 ASP N N 15 121.14 0.05 A 74 ARG H H 1 7.76 0.02 A 74 ARG HA H 1 4.28 0.02 A 74 ARG HBy H 1 1.94 0.02 A 74 ARG HBx H 1 1.78 0.02 A 74 ARG HD2 H 1 3.13 0.02 A 74 ARG HD3 H 1 3.13 0.02 A 74 ARG HG2 H 1 1.55 0.02 A 74 ARG HG3 H 1 1.55 0.02 A 74 ARG C C 13 176.51 0.05 A 74 ARG CA C 13 55.45 0.05 A 74 ARG CB C 13 29.99 0.05 A 74 ARG CD C 13 43.34 0.05 A 74 ARG CG C 13 26.96 0.05 A 74 ARG N N 15 112.89 0.05 A 75 THR H H 1 7.70 0.02 A 75 THR HA H 1 4.02 0.02 A 75 THR HB H 1 3.89 0.02 A 75 THR HG2% H 1 1.00 0.02 A 75 THR C C 13 173.81 0.05 A 75 THR CA C 13 64.06 0.05 A 75 THR CB C 13 69.35 0.05 A 75 THR CG2 C 13 22.93 0.05 A 75 THR N N 15 120.65 0.05 A 76 LYS H H 1 8.52 0.02 A 76 LYS HA H 1 4.27 0.02 A 76 LYS HB2 H 1 1.83 0.02 A 76 LYS HB3 H 1 1.83 0.02 A 76 LYS HD2 H 1 1.60 0.02 A 76 LYS HD3 H 1 1.60 0.02 A 76 LYS HE2 H 1 2.91 0.02 A 76 LYS HE3 H 1 2.91 0.02 A 76 LYS HGy H 1 1.44 0.02 A 76 LYS HGx H 1 1.30 0.02 A 76 LYS C C 13 174.56 0.05 A 76 LYS CA C 13 56.28 0.05 A 76 LYS CB C 13 33.12 0.05 A 76 LYS CD C 13 29.40 0.05 A 76 LYS CE C 13 41.96 0.05 A 76 LYS CG C 13 24.71 0.05 A 76 LYS N N 15 130.95 0.05 A 77 ILE H H 1 8.43 0.02 A 77 ILE HA H 1 4.85 0.02 A 77 ILE HB H 1 1.70 0.02 A 77 ILE HD1% H 1 0.58 0.02 A 77 ILE HG1y H 1 1.44 0.02 A 77 ILE HG1x H 1 1.00 0.02 A 77 ILE HG2% H 1 0.60 0.02 A 77 ILE C C 13 174.65 0.05 A 77 ILE CA C 13 59.82 0.05 A 77 ILE CB C 13 38.28 0.05 A 77 ILE CD1 C 13 12.13 0.05 A 77 ILE CG1 C 13 27.21 0.05 A 77 ILE CG2 C 13 16.98 0.05 A 77 ILE N N 15 128.02 0.05 A 78 THR H H 1 8.87 0.02 A 78 THR HA H 1 4.47 0.02 A 78 THR HB H 1 3.92 0.02 A 78 THR HG2% H 1 1.12 0.02 A 78 THR C C 13 172.76 0.05 A 78 THR CA C 13 60.74 0.05 A 78 THR CB C 13 71.32 0.05 A 78 THR CG2 C 13 22.30 0.05 A 78 THR N N 15 123.87 0.05 A 79 LEU H H 1 8.82 0.02 A 79 LEU HA H 1 5.14 0.02 A 79 LEU HB2 H 1 1.65 0.02 A 79 LEU HB3 H 1 1.52 0.02 A 79 LEU HDx% H 1 0.80 0.02 A 79 LEU HDy% H 1 0.89 0.02 A 79 LEU HG H 1 1.58 0.02 A 79 LEU C C 13 176.61 0.05 A 79 LEU CA C 13 53.28 0.05 A 79 LEU CB C 13 42.60 0.05 A 79 LEU CDx C 13 24.48 0.05 A 79 LEU CDy C 13 25.48 0.05 A 79 LEU CG C 13 27.50 0.05 A 79 LEU N N 15 127.07 0.05 A 80 VAL H H 1 8.80 0.02 A 80 VAL HA H 1 4.26 0.02 A 80 VAL HB H 1 1.96 0.02 A 80 VAL HG1% H 1 0.88 0.02 A 80 VAL HG2% H 1 0.81 0.02 A 80 VAL CA C 13 61.35 0.05 A 80 VAL CB C 13 32.79 0.05 A 80 VAL CG1 C 13 21.48 0.05 A 80 VAL CG2 C 13 20.42 0.05 A 80 VAL N N 15 124.12 0.05 A 81 THR H H 1 8.16 0.02 A 81 THR HA H 1 4.41 0.02 A 81 THR HB H 1 4.26 0.02 A 81 THR HG2% H 1 1.13 0.02 A 81 THR CA C 13 60.80 0.05 A 81 THR CB C 13 69.65 0.05 A 81 THR CG2 C 13 21.55 0.05 A 81 THR N N 15 114.50 0.05 A 83 PRO HA H 1 3.93 0.02 A 83 PRO HB2 H 1 1.95 0.02 A 83 PRO HB3 H 1 1.95 0.02 A 83 PRO HDy H 1 3.43 0.02 A 83 PRO HDx H 1 3.32 0.02 A 83 PRO HG2 H 1 1.73 0.02 A 83 PRO HG3 H 1 1.73 0.02 A 83 PRO CA C 13 64.52 0.05 A 83 PRO CB C 13 34.14 0.05 A 83 PRO CD C 13 49.68 0.05 A 83 PRO CG C 13 24.92 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 80 VAL H A 80 VAL HA 1.0 0.0 5.0 2 2 A 57 VAL H A 57 VAL HG1% 1.0 0.0 4.0 3 3 A 51 SER H A 51 SER HA 1.0 0.0 4.0 4 4 A 28 ASP H A 28 ASP HA 1.0 0.0 3.2 5 5 A 79 LEU H A 79 LEU HB2 1.0 0.0 3.2 6 6 A 76 LYS H A 76 LYS HB2 1.0 0.0 3.5 7 6 A 76 LYS H A 76 LYS HB3 1.0 0.0 3.5 8 7 A 61 VAL H A 61 VAL HG1% 1.0 0.0 5.8 9 8 A 39 GLY H A 39 GLY HA3 1.0 0.0 3.2 10 9 A 61 VAL H A 61 VAL HB 1.0 0.0 3.2 11 10 A 60 LYS H A 60 LYS HB3 1.0 0.0 3.2 12 11 A 52 ILE H A 52 ILE HD1% 1.0 0.0 5.0 13 12 A 58 LYS H A 58 LYS HGy 1.0 0.0 4.8 14 12 A 58 LYS H A 58 LYS HGx 1.0 0.0 4.8 15 13 A 10 VAL H A 10 VAL HA 1.0 0.0 4.0 16 14 A 64 ALA H A 64 ALA HB% 1.0 0.0 4.0 17 15 A 77 ILE H A 77 ILE HB 1.0 0.0 3.2 18 16 A 57 VAL H A 57 VAL HB 1.0 0.0 3.2 19 17 A 9 GLY H A 9 GLY HAy 1.0 0.0 5.0 20 17 A 9 GLY HAx A 9 GLY H 1.0 0.0 5.0 21 18 A 75 THR H A 75 THR HA 1.0 0.0 3.2 22 19 A 18 LYS H A 18 LYS HB2 1.0 0.0 4.0 23 20 A 48 ILE H A 48 ILE HG2% 1.0 0.0 5.0 24 21 A 65 TYR H A 65 TYR HD% 1.0 0.0 5.8 25 22 A 17 LEU H A 17 LEU HA 1.0 0.0 3.2 26 23 A 46 ASP H A 46 ASP HB2 1.0 0.0 2.7 27 24 A 59 PHE H A 59 PHE HB3 1.0 0.0 5.0 28 25 A 37 LEU H A 37 LEU HB3 1.0 0.0 3.5 29 25 A 37 LEU H A 37 LEU HB2 1.0 0.0 3.5 30 26 A 22 LYS H A 22 LYS HA 1.0 2.5 3.5 31 27 A 70 ARG H A 70 ARG HB3 1.0 0.0 4.0 32 28 A 29 PHE HA A 29 PHE HD1 1.0 0.0 4.0 33 29 A 62 VAL H A 62 VAL HG1% 1.0 0.0 5.8 34 30 A 56 GLU H A 56 GLU HGy 1.0 0.0 4.8 35 30 A 56 GLU H A 56 GLU HGx 1.0 0.0 4.8 36 31 A 12 MET H A 12 MET HGy 1.0 0.0 5.0 37 31 A 12 MET H A 12 MET HGx 1.0 0.0 5.0 38 32 A 10 VAL HA A 10 VAL HG1% 1.0 0.0 4.7 39 32 A 10 VAL HA A 10 VAL HG2% 1.0 0.0 4.7 40 33 A 73 ASP H A 73 ASP HA 1.0 0.0 4.0 41 34 A 34 ARG H A 34 ARG HB2 1.0 0.0 2.7 42 34 A 34 ARG H A 34 ARG HB3 1.0 0.0 2.7 43 35 A 47 VAL H A 47 VAL HG2% 1.0 0.0 4.0 44 36 A 72 GLU H A 72 GLU HB2 1.0 0.0 4.0 45 36 A 72 GLU H A 72 GLU HB3 1.0 0.0 4.0 46 37 A 69 LEU H A 69 LEU HB3 1.0 0.0 3.2 47 38 A 65 TYR H A 65 TYR HB3 1.0 0.0 5.0 48 39 A 71 VAL H A 71 VAL HG2% 1.0 0.0 3.5 49 40 A 63 GLN H A 63 GLN HGy 1.0 0.0 4.8 50 40 A 63 GLN H A 63 GLN HGx 1.0 0.0 4.8 51 41 A 77 ILE H A 77 ILE HA 1.0 0.0 4.0 52 42 A 78 THR H A 78 THR HB 1.0 0.0 3.2 53 43 A 79 LEU H A 79 LEU HB3 1.0 0.0 4.0 54 44 A 13 SER H A 13 SER HA 1.0 0.0 4.0 55 45 A 61 VAL H A 61 VAL HA 1.0 0.0 4.0 56 46 A 44 THR H A 44 THR HA 1.0 0.0 4.0 57 47 A 67 SER H A 67 SER HB3 1.0 0.0 3.5 58 47 A 67 SER H A 67 SER HB2 1.0 0.0 3.5 59 48 A 40 LYS H A 40 LYS HA 1.0 0.0 3.2 60 49 A 24 GLU H A 24 GLU HBy 1.0 0.0 3.2 61 49 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.2 62 50 A 81 THR H A 81 THR HA 1.0 2.7 7.7 63 51 A 65 TYR H A 65 TYR HA 1.0 0.0 5.0 64 52 A 18 LYS H A 18 LYS HB3 1.0 0.0 3.2 65 53 A 80 VAL H A 80 VAL HB 1.0 0.0 4.0 66 54 A 45 GLY H A 45 GLY HA2 1.0 0.0 2.7 67 55 A 49 GLY H A 49 GLY HA2 1.0 0.0 4.0 68 56 A 40 LYS H A 40 LYS HB2 1.0 0.0 3.2 69 57 A 13 SER H A 13 SER HB3 1.0 0.0 4.0 70 58 A 50 ILE H A 50 ILE HB 1.0 0.0 4.0 71 59 A 25 LEU H A 25 LEU HB2 1.0 0.0 3.2 72 60 A 70 ARG H A 70 ARG HB2 1.0 0.0 3.2 73 61 A 79 LEU H A 79 LEU HG 1.0 0.0 4.0 74 62 A 10 VAL H A 10 VAL HG1% 1.0 0.0 4.7 75 62 A 10 VAL H A 10 VAL HG2% 1.0 0.0 4.7 76 63 A 48 ILE H A 48 ILE HB 1.0 0.0 5.0 77 64 A 58 LYS H A 58 LYS HB2 1.0 0.0 3.2 78 65 A 37 LEU H A 37 LEU HA 1.0 0.0 3.2 79 66 A 55 LYS H A 55 LYS HG2 1.0 0.0 4.8 80 66 A 55 LYS H A 55 LYS HG3 1.0 0.0 4.8 81 67 A 16 LYS H A 16 LYS HB2 1.0 0.0 3.2 82 68 A 42 VAL H A 42 VAL HB 1.0 0.0 4.0 83 69 A 57 VAL H A 57 VAL HG2% 1.0 0.0 5.8 84 70 A 42 VAL H A 42 VAL HA 1.0 0.0 4.0 85 71 A 54 GLY H A 54 GLY HA2 1.0 0.0 2.7 86 72 A 74 ARG H A 74 ARG HG2 1.0 0.0 3.5 87 72 A 74 ARG H A 74 ARG HG3 1.0 0.0 3.5 88 73 A 47 VAL H A 47 VAL HA 1.0 0.0 4.0 89 74 A 59 PHE H A 59 PHE HA 1.0 0.0 4.0 90 75 A 71 VAL H A 71 VAL HG1% 1.0 0.0 4.8 91 76 A 79 LEU H A 79 LEU HDx% 1.0 0.0 6.5 92 76 A 79 LEU H A 79 LEU HDy% 1.0 0.0 6.5 93 77 A 60 LYS H A 60 LYS HA 1.0 0.0 4.0 94 78 A 67 SER H A 67 SER HA 1.0 0.0 3.2 95 79 A 60 LYS H A 60 LYS HB2 1.0 0.0 3.2 96 80 A 20 LEU H A 20 LEU HA 1.0 0.0 4.0 97 81 A 10 VAL HA A 10 VAL HB 1.0 0.0 4.0 98 82 A 48 ILE H A 48 ILE HA 1.0 0.0 4.0 99 83 A 40 LYS H A 40 LYS HB3 1.0 0.0 4.0 100 84 A 50 ILE H A 50 ILE HG2% 1.0 0.0 5.0 101 85 A 34 ARG H A 34 ARG HA 1.0 0.0 3.2 102 86 A 25 LEU H A 25 LEU HD1% 1.0 0.0 5.0 103 87 A 71 VAL H A 71 VAL HB 1.0 0.0 3.2 104 88 A 54 GLY H A 54 GLY HA3 1.0 2.7 3.7 105 89 A 38 GLN H A 38 GLN HA 1.0 0.0 3.2 106 90 A 58 LYS H A 58 LYS HB3 1.0 0.0 4.0 107 91 A 16 LYS H A 16 LYS HB3 1.0 0.0 4.0 108 92 A 47 VAL H A 47 VAL HB 1.0 0.0 3.2 109 93 A 64 ALA H A 64 ALA HA 1.0 0.0 4.0 110 94 A 18 LYS H A 18 LYS HD2 1.0 0.0 4.8 111 94 A 18 LYS H A 18 LYS HD3 1.0 0.0 4.8 112 95 A 43 ARG H A 43 ARG HG2 1.0 0.0 4.8 113 95 A 43 ARG H A 43 ARG HG3 1.0 0.0 4.8 114 96 A 30 VAL H A 30 VAL HA 1.0 0.0 4.0 115 97 A 36 LYS H A 36 LYS HA 1.0 0.0 3.2 116 98 A 74 ARG H A 74 ARG HD2 1.0 0.0 4.8 117 98 A 74 ARG H A 74 ARG HD3 1.0 0.0 4.8 118 99 A 22 LYS H A 22 LYS HBy 1.0 0.0 4.0 119 99 A 22 LYS H A 22 LYS HBx 1.0 0.0 4.0 120 100 A 69 LEU H A 69 LEU HB2 1.0 0.0 4.0 121 101 A 75 THR H A 75 THR HG2% 1.0 0.0 4.8 122 102 A 36 LYS H A 36 LYS HB2 1.0 0.0 3.5 123 102 A 36 LYS H A 36 LYS HB3 1.0 0.0 3.5 124 103 A 41 THR H A 41 THR HG2% 1.0 0.0 5.0 125 104 A 80 VAL H A 80 VAL HG1% 1.0 0.0 5.8 126 105 A 25 LEU H A 25 LEU HA 1.0 0.0 5.0 127 106 A 49 GLY H A 49 GLY HA3 1.0 0.0 3.2 128 107 A 15 LEU H A 15 LEU HB3 1.0 0.0 4.0 129 108 A 35 ILE H A 35 ILE HD1% 1.0 0.0 5.0 130 109 A 71 VAL H A 71 VAL HA 1.0 0.0 4.0 131 110 A 62 VAL H A 62 VAL HA 1.0 0.0 4.0 132 111 A 55 LYS H A 55 LYS HBy 1.0 0.0 3.5 133 111 A 55 LYS H A 55 LYS HBx 1.0 0.0 3.5 134 112 A 38 GLN H A 38 GLN HBx 1.0 0.0 3.5 135 112 A 38 GLN H A 38 GLN HBy 1.0 0.0 3.5 136 113 A 73 ASP H A 73 ASP HBy 1.0 0.0 4.0 137 113 A 73 ASP H A 73 ASP HBx 1.0 0.0 4.0 138 114 A 11 ILE H A 11 ILE HB 1.0 0.0 3.2 139 115 A 51 SER H A 51 SER HB2 1.0 0.0 4.0 140 115 A 51 SER H A 51 SER HB3 1.0 0.0 4.0 141 116 A 23 VAL H A 23 VAL HG1% 1.0 0.0 4.7 142 116 A 23 VAL H A 23 VAL HG2% 1.0 0.0 4.7 143 117 A 31 ASP H A 31 ASP HBy 1.0 0.0 3.5 144 117 A 31 ASP H A 31 ASP HBx 1.0 0.0 3.5 145 118 A 33 ILE H A 33 ILE HA 1.0 0.0 4.0 146 119 A 57 VAL H A 57 VAL HA 1.0 0.0 4.0 147 120 A 11 ILE H A 11 ILE HG2% 1.0 0.0 5.0 148 121 A 25 LEU H A 25 LEU HB3 1.0 0.0 5.0 149 122 A 65 TYR H A 65 TYR HB2 1.0 0.0 4.0 150 123 A 43 ARG H A 43 ARG HA 1.0 0.0 4.0 151 124 A 72 GLU H A 72 GLU HA 1.0 0.0 3.2 152 125 A 50 ILE H A 50 ILE HA 1.0 0.0 4.0 153 126 A 29 PHE HA A 29 PHE H 1.0 0.0 3.2 154 127 A 28 ASP H A 28 ASP HB2 1.0 0.0 5.0 155 128 A 15 LEU H A 15 LEU HB2 1.0 0.0 4.0 156 129 A 23 VAL H A 23 VAL HB 1.0 0.0 4.0 157 130 A 24 GLU H A 24 GLU HA 1.0 0.0 5.0 158 131 A 14 GLU H A 14 GLU HB2 1.0 0.0 4.0 159 131 A 14 GLU H A 14 GLU HB3 1.0 0.0 4.0 160 132 A 70 ARG H A 70 ARG HA 1.0 0.0 4.0 161 133 A 29 PHE H A 29 PHE HB3 1.0 0.0 4.0 162 134 A 39 GLY H A 39 GLY HA2 1.0 0.0 3.2 163 135 A 12 MET H A 12 MET HB3 1.0 0.0 3.2 164 136 A 55 LYS H A 55 LYS HA 1.0 0.0 3.2 165 137 A 79 LEU H A 79 LEU HA 1.0 0.0 4.0 166 138 A 34 ARG HA A 34 ARG HE 1.0 0.0 5.0 167 139 A 12 MET H A 12 MET HA 1.0 0.0 4.0 168 140 A 74 ARG H A 74 ARG HA 1.0 0.0 3.2 169 141 A 61 VAL H A 61 VAL HG2% 1.0 0.0 4.0 170 142 A 32 VAL H A 32 VAL HA 1.0 0.0 4.0 171 143 A 35 ILE H A 35 ILE HG12 1.0 0.0 5.0 172 144 A 62 VAL H A 62 VAL HB 1.0 0.0 3.2 173 145 A 10 VAL H A 10 VAL HB 1.0 0.0 3.2 174 146 A 78 THR H A 78 THR HA 1.0 0.0 5.0 175 147 A 11 ILE H A 11 ILE HA 1.0 0.0 3.2 176 148 A 63 GLN H A 63 GLN HA 1.0 0.0 3.2 177 149 A 46 ASP H A 46 ASP HB3 1.0 0.0 4.0 178 150 A 44 THR H A 44 THR HB 1.0 0.0 2.7 179 151 A 56 GLU H A 56 GLU HA 1.0 0.0 4.0 180 152 A 14 GLU H A 14 GLU HA 1.0 0.0 4.0 181 153 A 52 ILE H A 52 ILE HA 1.0 0.0 4.0 182 154 A 30 VAL H A 30 VAL HB 1.0 0.0 3.2 183 155 A 78 THR H A 78 THR HG2% 1.0 0.0 4.8 184 156 A 23 VAL H A 23 VAL HA 1.0 0.0 3.2 185 157 A 52 ILE H A 52 ILE HB 1.0 0.0 3.2 186 158 A 58 LYS H A 58 LYS HA 1.0 0.0 5.0 187 159 A 76 LYS H A 76 LYS HA 1.0 0.0 4.0 188 160 A 35 ILE H A 35 ILE HA 1.0 0.0 4.0 189 161 A 36 LYS H A 36 LYS HGy 1.0 0.0 3.5 190 162 A 36 LYS H A 36 LYS HGx 1.0 0.0 3.5 191 163 A 81 THR H A 81 THR HG2% 1.0 0.0 4.0 192 164 A 41 THR H A 41 THR HB 1.0 0.0 3.2 193 165 A 32 VAL H A 32 VAL HB 1.0 0.0 2.7 194 166 A 28 ASP H A 28 ASP HB3 1.0 0.0 4.0 195 167 A 44 THR H A 44 THR HG2% 1.0 0.0 5.0 196 168 A 37 LEU HA A 37 LEU HD2% 1.0 0.0 4.0 197 169 A 32 VAL H A 32 VAL HG2% 1.0 0.0 4.2 198 170 A 35 ILE H A 35 ILE HG13 1.0 0.0 4.0 199 171 A 11 ILE H A 11 ILE HG1y 1.0 0.0 5.0 200 171 A 11 ILE H A 11 ILE HG1x 1.0 0.0 5.0 201 172 A 80 VAL H A 80 VAL HG2% 1.0 0.0 4.0 202 173 A 15 LEU H A 15 LEU HA 1.0 0.0 3.2 203 174 A 75 THR H A 75 THR HB 1.0 0.0 2.7 204 175 A 56 GLU H A 56 GLU HBy 1.0 0.0 4.0 205 175 A 56 GLU H A 56 GLU HBx 1.0 0.0 4.0 206 176 A 59 PHE H A 59 PHE HD2 1.0 0.0 4.8 207 176 A 59 PHE H A 59 PHE HD1 1.0 0.0 4.8 208 177 A 72 GLU H A 72 GLU HGy 1.0 0.0 4.8 209 177 A 72 GLU H A 72 GLU HGx 1.0 0.0 4.8 210 178 A 16 LYS H A 16 LYS HA 1.0 0.0 5.0 211 179 A 59 PHE H A 59 PHE HB2 1.0 0.0 4.0 212 180 A 74 ARG H A 74 ARG HBy 1.0 0.0 3.5 213 180 A 74 ARG H A 74 ARG HBx 1.0 0.0 3.5 214 181 A 29 PHE HA A 29 PHE HD2 1.0 0.0 4.0 215 182 A 43 ARG H A 43 ARG HB2 1.0 0.0 4.0 216 182 A 43 ARG H A 43 ARG HB3 1.0 0.0 4.0 217 183 A 47 VAL H A 47 VAL HG1% 1.0 0.0 5.0 218 184 A 46 ASP H A 46 ASP HA 1.0 0.0 3.2 219 185 A 14 GLU H A 14 GLU HGy 1.0 0.0 5.0 220 185 A 14 GLU H A 14 GLU HGx 1.0 0.0 5.0 221 186 A 62 VAL H A 62 VAL HG2% 1.0 0.0 4.0 222 187 A 35 ILE H A 35 ILE HB 1.0 0.0 2.7 223 188 A 53 LEU H A 53 LEU HA 1.0 0.0 4.0 224 189 A 29 PHE H A 29 PHE HB2 1.0 0.0 3.2 225 190 A 31 ASP H A 31 ASP HA 1.0 0.0 3.2 226 191 A 41 THR H A 41 THR HA 1.0 0.0 4.0 227 192 A 69 LEU H A 69 LEU HA 1.0 0.0 4.0 228 193 A 13 SER H A 13 SER HB2 1.0 0.0 5.0 229 194 A 45 GLY H A 45 GLY HA3 1.0 0.0 3.2 230 195 A 16 LYS HA A 17 LEU HD2% 1.0 0.0 4.8 231 196 A 20 LEU HB3 A 21 PRO HD3 1.0 0.0 4.8 232 196 A 21 PRO HD2 A 20 LEU HB3 1.0 0.0 4.8 233 197 A 16 LYS H A 15 LEU HB3 1.0 0.0 5.0 234 197 A 16 LYS H A 15 LEU HB2 1.0 0.0 5.0 235 198 A 41 THR H A 40 LYS HGy 1.0 0.0 5.0 236 198 A 41 THR H A 40 LYS HGx 1.0 0.0 5.0 237 199 A 12 MET H A 11 ILE HA 1.0 0.0 3.2 238 200 A 57 VAL H A 56 GLU HGy 1.0 0.0 4.8 239 200 A 57 VAL H A 56 GLU HGx 1.0 0.0 4.8 240 201 A 44 THR H A 43 ARG HDy 1.0 0.0 5.8 241 201 A 44 THR H A 43 ARG HDx 1.0 0.0 5.8 242 202 A 71 VAL H A 70 ARG HG2 1.0 0.0 4.0 243 202 A 71 VAL H A 70 ARG HG3 1.0 0.0 4.0 244 203 A 75 THR H A 74 ARG HG2 1.0 0.0 4.8 245 203 A 75 THR H A 74 ARG HG3 1.0 0.0 4.8 246 204 A 60 LYS H A 59 PHE HB2 1.0 0.0 5.0 247 205 A 10 VAL HA A 11 ILE H 1.0 0.0 3.2 248 206 A 37 LEU HA A 38 GLN H 1.0 0.0 4.0 249 207 A 56 GLU H A 55 LYS HA 1.0 0.0 2.7 250 208 A 40 LYS HA A 41 THR H 1.0 0.0 2.7 251 209 A 22 LYS H A 21 PRO HB2 1.0 0.0 4.8 252 209 A 22 LYS H A 21 PRO HB3 1.0 0.0 4.8 253 210 A 50 ILE H A 49 GLY HA3 1.0 0.0 4.0 254 211 A 70 ARG H A 69 LEU HA 1.0 0.0 2.7 255 212 A 80 VAL H A 81 THR H 1.0 3.2 8.2 256 213 A 22 LYS H A 23 VAL H 1.0 3.5 8.5 257 214 A 61 VAL H A 62 VAL H 1.0 3.2 8.2 258 215 A 24 GLU H A 23 VAL HB 1.0 0.0 5.0 259 216 A 9 GLY HAx A 10 VAL HG1% 1.0 0.0 6.3 260 216 A 10 VAL HG2% A 9 GLY HAy 1.0 0.0 6.3 261 216 A 9 GLY HAx A 10 VAL HG2% 1.0 0.0 6.3 262 216 A 9 GLY HAy A 10 VAL HG1% 1.0 0.0 6.3 263 217 A 30 VAL HA A 31 ASP H 1.0 0.0 5.0 264 218 A 30 VAL HB A 29 PHE HB2 1.0 0.0 5.0 265 219 A 36 LYS H A 35 ILE HG2% 1.0 0.0 4.0 266 220 A 16 LYS H A 15 LEU HA 1.0 0.0 2.7 267 221 A 58 LYS H A 57 VAL HG2% 1.0 0.0 4.8 268 222 A 18 LYS HGy A 19 PRO HDy 1.0 0.0 4.8 269 222 A 18 LYS HGx A 19 PRO HDy 1.0 0.0 4.8 270 222 A 19 PRO HDx A 18 LYS HGy 1.0 0.0 4.8 271 222 A 19 PRO HDx A 18 LYS HGx 1.0 0.0 4.8 272 223 A 77 ILE HA A 78 THR H 1.0 0.0 2.7 273 224 A 71 VAL H A 70 ARG HA 1.0 0.0 2.7 274 225 A 75 THR H A 74 ARG HBy 1.0 0.0 4.8 275 225 A 75 THR H A 74 ARG HBx 1.0 0.0 4.8 276 226 A 65 TYR H A 64 ALA HA 1.0 0.0 2.7 277 227 A 57 VAL H A 56 GLU HBy 1.0 0.0 4.8 278 227 A 57 VAL H A 56 GLU HBx 1.0 0.0 4.8 279 228 A 69 LEU H A 68 PRO HB3 1.0 0.0 4.0 280 228 A 69 LEU H A 68 PRO HB2 1.0 0.0 4.0 281 229 A 18 LYS HA A 19 PRO HDy 1.0 0.0 3.2 282 229 A 19 PRO HDx A 18 LYS HA 1.0 0.0 3.2 283 230 A 53 LEU H A 52 ILE HG2% 1.0 0.0 4.0 284 231 A 25 LEU H A 24 GLU HBy 1.0 0.0 5.0 285 231 A 24 GLU HBx A 25 LEU H 1.0 0.0 5.0 286 232 A 56 GLU H A 55 LYS H 1.0 3.2 8.2 287 233 A 64 ALA H A 63 GLN HA 1.0 0.0 2.7 288 234 A 32 VAL H A 31 ASP HBy 1.0 0.0 4.8 289 234 A 31 ASP HBx A 32 VAL H 1.0 0.0 4.8 290 235 A 44 THR H A 43 ARG HB2 1.0 0.0 4.8 291 235 A 44 THR H A 43 ARG HB3 1.0 0.0 4.8 292 236 A 45 GLY H A 44 THR HG2% 1.0 0.0 4.0 293 237 A 31 ASP H A 32 VAL H 1.0 0.0 3.2 294 238 A 15 LEU H A 14 GLU HA 1.0 0.0 2.7 295 239 A 48 ILE H A 47 VAL HG1% 1.0 0.0 4.2 296 239 A 48 ILE H A 47 VAL HG2% 1.0 0.0 4.2 297 240 A 18 LYS H A 17 LEU HD2% 1.0 0.0 5.8 298 241 A 54 GLY H A 53 LEU HBy 1.0 4.0 9.0 299 242 A 59 PHE H A 58 LYS HB2 1.0 0.0 5.0 300 243 A 22 LYS H A 21 PRO HD3 1.0 3.2 8.2 301 244 A 34 ARG H A 33 ILE HD1% 1.0 0.0 5.8 302 245 A 48 ILE HG2% A 49 GLY H 1.0 0.0 5.0 303 246 A 73 ASP HA A 74 ARG H 1.0 0.0 5.0 304 247 A 31 ASP H A 30 VAL HB 1.0 0.0 4.0 305 248 A 30 VAL H A 29 PHE H 1.0 0.0 4.0 306 249 A 80 VAL HA A 81 THR H 1.0 0.0 2.7 307 250 A 72 GLU H A 71 VAL H 1.0 3.2 8.2 308 251 A 42 VAL H A 41 THR H 1.0 3.2 5.0 309 252 A 54 GLY H A 53 LEU HA 1.0 2.7 7.7 310 253 A 36 LYS H A 35 ILE H 1.0 0.0 3.2 311 254 A 33 ILE H A 32 VAL H 1.0 0.0 3.2 312 255 A 22 LYS HA A 23 VAL H 1.0 0.0 2.7 313 256 A 64 ALA HB% A 65 TYR H 1.0 0.0 4.8 314 257 A 18 LYS H A 17 LEU HA 1.0 0.0 2.7 315 258 A 70 ARG H A 69 LEU HD1% 1.0 0.0 5.5 316 258 A 70 ARG H A 69 LEU HD2% 1.0 0.0 5.5 317 259 A 24 GLU H A 23 VAL HG1% 1.0 0.0 5.5 318 259 A 24 GLU H A 23 VAL HG2% 1.0 0.0 5.5 319 260 A 22 LYS H A 21 PRO HD2 1.0 3.2 8.2 320 261 A 48 ILE H A 47 VAL H 1.0 3.2 5.0 321 262 A 54 GLY H A 53 LEU H 1.0 2.7 7.7 322 263 A 10 VAL H A 9 GLY H 1.0 3.2 5.0 323 264 A 47 VAL H A 46 ASP HA 1.0 0.0 2.7 324 265 A 10 VAL HB A 11 ILE H 1.0 0.0 5.0 325 266 A 77 ILE H A 76 LYS HB2 1.0 0.0 4.8 326 266 A 76 LYS HB3 A 77 ILE H 1.0 0.0 4.8 327 267 A 51 SER H A 50 ILE HA 1.0 0.0 2.7 328 268 A 80 VAL H A 79 LEU HDx% 1.0 0.0 4.7 329 268 A 80 VAL H A 79 LEU HDy% 1.0 0.0 4.7 330 269 A 40 LYS HB3 A 41 THR H 1.0 0.0 3.2 331 270 A 64 ALA H A 63 GLN HB2 1.0 0.0 5.8 332 270 A 64 ALA H A 63 GLN HB3 1.0 0.0 5.8 333 271 A 44 THR H A 45 GLY H 1.0 3.2 5.0 334 272 A 39 GLY H A 38 GLN H 1.0 3.2 5.0 335 273 A 20 LEU H A 19 PRO HB2 1.0 0.0 5.8 336 273 A 20 LEU H A 19 PRO HB3 1.0 0.0 5.8 337 274 A 61 VAL H A 60 LYS H 1.0 3.2 5.0 338 275 A 64 ALA H A 65 TYR H 1.0 3.2 5.0 339 276 A 59 PHE H A 58 LYS HB3 1.0 0.0 4.0 340 277 A 36 LYS H A 35 ILE HB 1.0 0.0 3.2 341 278 A 65 TYR HB3 A 66 PRO HA 1.0 0.0 4.0 342 279 A 34 ARG HE A 35 ILE HG12 1.0 0.0 5.0 343 280 A 61 VAL H A 60 LYS HB2 1.0 0.0 5.0 344 281 A 72 GLU H A 71 VAL HB 1.0 0.0 5.0 345 282 A 28 ASP H A 27 PRO HG2 1.0 0.0 4.8 346 282 A 28 ASP H A 27 PRO HG3 1.0 0.0 4.8 347 283 A 65 TYR HB2 A 66 PRO HA 1.0 0.0 5.0 348 284 A 77 ILE H A 78 THR H 1.0 3.2 5.0 349 285 A 30 VAL HA A 29 PHE HD2 1.0 0.0 5.8 350 286 A 12 MET H A 11 ILE HG2% 1.0 0.0 5.0 351 287 A 29 PHE HA A 30 VAL H 1.0 0.0 5.0 352 288 A 60 LYS H A 59 PHE HD1 1.0 0.0 5.0 353 288 A 60 LYS H A 59 PHE HD2 1.0 0.0 5.0 354 289 A 34 ARG H A 33 ILE HB 1.0 0.0 3.2 355 290 A 76 LYS H A 75 THR HB 1.0 0.0 5.0 356 291 A 77 ILE H A 76 LYS HA 1.0 0.0 2.7 357 292 A 20 LEU HA A 21 PRO HD2 1.0 0.0 4.0 358 293 A 63 GLN H A 62 VAL HG1% 1.0 0.0 4.7 359 293 A 63 GLN H A 62 VAL HG2% 1.0 0.0 4.7 360 294 A 28 ASP H A 27 PRO HB3 1.0 0.0 5.0 361 295 A 64 ALA H A 63 GLN H 1.0 3.2 5.0 362 296 A 49 GLY H A 48 ILE HA 1.0 0.0 2.7 363 297 A 34 ARG HE A 35 ILE HG13 1.0 0.0 4.0 364 298 A 79 LEU H A 78 THR HA 1.0 0.0 2.7 365 299 A 42 VAL HA A 43 ARG H 1.0 0.0 2.7 366 300 A 17 LEU H A 16 LYS HA 1.0 0.0 2.7 367 301 A 40 LYS HB2 A 41 THR H 1.0 0.0 5.0 368 302 A 29 PHE H A 28 ASP HB2 1.0 0.0 5.0 369 303 A 10 VAL H A 9 GLY HAy 1.0 0.0 3.2 370 303 A 10 VAL H A 9 GLY HAx 1.0 0.0 3.2 371 304 A 24 GLU H A 23 VAL H 1.0 3.2 8.2 372 305 A 73 ASP H A 72 GLU HGy 1.0 0.0 5.8 373 305 A 73 ASP H A 72 GLU HGx 1.0 0.0 5.8 374 306 A 75 THR H A 74 ARG HA 1.0 0.0 4.0 375 307 A 69 LEU H A 68 PRO HA 1.0 0.0 2.7 376 308 A 71 VAL HA A 72 GLU HA 1.0 0.0 5.0 377 309 A 54 GLY H A 53 LEU HDy% 1.0 4.8 9.8 378 310 A 78 THR H A 77 ILE HG2% 1.0 0.0 4.8 379 311 A 60 LYS H A 59 PHE HA 1.0 0.0 2.7 380 312 A 80 VAL H A 79 LEU HA 1.0 0.0 2.7 381 313 A 57 VAL H A 56 GLU H 1.0 3.2 8.2 382 314 A 25 LEU HA A 26 PRO HDy 1.0 0.0 3.2 383 314 A 25 LEU HA A 26 PRO HDx 1.0 0.0 3.2 384 315 A 17 LEU H A 16 LYS HB3 1.0 0.0 4.0 385 315 A 17 LEU H A 16 LYS HB2 1.0 0.0 4.0 386 316 A 58 LYS H A 57 VAL HB 1.0 0.0 5.0 387 317 A 45 GLY H A 44 THR HB 1.0 0.0 5.0 388 318 A 57 VAL H A 56 GLU HA 1.0 0.0 2.7 389 319 A 73 ASP HBx A 74 ARG HG2 1.0 0.0 6.6 390 319 A 73 ASP HBy A 74 ARG HG2 1.0 0.0 6.6 391 319 A 74 ARG HG3 A 73 ASP HBy 1.0 0.0 6.6 392 319 A 74 ARG HG3 A 73 ASP HBx 1.0 0.0 6.6 393 320 A 13 SER H A 12 MET HB2 1.0 0.0 4.8 394 320 A 13 SER H A 12 MET HB3 1.0 0.0 4.8 395 321 A 28 ASP HA A 29 PHE H 1.0 0.0 4.0 396 322 A 62 VAL H A 61 VAL HA 1.0 0.0 2.7 397 323 A 70 ARG H A 69 LEU HB2 1.0 0.0 4.0 398 324 A 81 THR HA A 80 VAL HG1% 1.0 0.0 4.0 399 325 A 58 LYS H A 57 VAL HA 1.0 0.0 2.7 400 326 A 67 SER H A 66 PRO HB2 1.0 0.0 3.2 401 327 A 17 LEU H A 16 LYS HD2 1.0 0.0 5.0 402 327 A 17 LEU H A 16 LYS HD3 1.0 0.0 5.0 403 328 A 33 ILE H A 32 VAL HB 1.0 0.0 3.2 404 329 A 74 ARG H A 73 ASP HBy 1.0 0.0 4.8 405 329 A 74 ARG H A 73 ASP HBx 1.0 0.0 4.8 406 330 A 62 VAL H A 63 GLN H 1.0 0.0 3.2 407 331 A 59 PHE H A 58 LYS HA 1.0 0.0 2.7 408 332 A 11 ILE H A 10 VAL HG1% 1.0 0.0 4.7 409 332 A 10 VAL HG2% A 11 ILE H 1.0 0.0 4.7 410 333 A 76 LYS H A 75 THR HA 1.0 0.0 2.7 411 334 A 15 LEU H A 14 GLU HGy 1.0 0.0 4.0 412 334 A 15 LEU H A 14 GLU HGx 1.0 0.0 4.0 413 335 A 37 LEU H A 38 GLN H 1.0 0.0 3.2 414 336 A 55 LYS H A 54 GLY HA2 1.0 3.2 5.0 415 337 A 34 ARG H A 33 ILE H 1.0 0.0 4.0 416 338 A 31 ASP H A 30 VAL HG1% 1.0 0.0 4.0 417 338 A 31 ASP H A 30 VAL HG2% 1.0 0.0 4.0 418 339 A 12 MET H A 11 ILE HB 1.0 0.0 5.0 419 340 A 41 THR HA A 42 VAL HG2% 1.0 0.0 4.0 420 341 A 79 LEU H A 78 THR HB 1.0 0.0 4.0 421 342 A 61 VAL HG1% A 62 VAL H 1.0 0.0 4.8 422 343 A 54 GLY H A 53 LEU HDx% 1.0 4.8 9.8 423 344 A 12 MET H A 13 SER H 1.0 3.2 5.0 424 345 A 73 ASP H A 72 GLU HB3 1.0 0.0 4.0 425 346 A 65 TYR H A 66 PRO HA 1.0 0.0 5.0 426 347 A 67 SER H A 66 PRO HDy 1.0 3.2 8.2 427 347 A 67 SER H A 66 PRO HDx 1.0 3.2 8.2 428 348 A 73 ASP H A 72 GLU HA 1.0 0.0 3.2 429 349 A 61 VAL HB A 62 VAL H 1.0 0.0 5.0 430 350 A 30 VAL H A 31 ASP H 1.0 0.0 3.2 431 351 A 42 VAL H A 41 THR HB 1.0 0.0 5.0 432 352 A 64 ALA H A 63 GLN HE2y 1.0 4.0 9.0 433 352 A 64 ALA H A 63 GLN HE2x 1.0 4.0 9.0 434 353 A 20 LEU HG A 21 PRO HD3 1.0 0.0 4.8 435 353 A 21 PRO HD2 A 20 LEU HG 1.0 0.0 4.8 436 354 A 67 SER H A 66 PRO HA 1.0 0.0 3.2 437 355 A 49 GLY H A 48 ILE HB 1.0 0.0 4.0 438 356 A 23 VAL H A 22 LYS HBy 1.0 0.0 4.8 439 356 A 22 LYS HBx A 23 VAL H 1.0 0.0 4.8 440 357 A 21 PRO HD2 A 20 LEU HD1% 1.0 0.0 5.5 441 357 A 20 LEU HD1% A 21 PRO HD3 1.0 0.0 5.5 442 358 A 34 ARG H A 33 ILE HA 1.0 0.0 5.0 443 359 A 51 SER HA A 52 ILE H 1.0 0.0 2.7 444 360 A 25 LEU H A 24 GLU HGy 1.0 0.0 5.8 445 360 A 25 LEU H A 24 GLU HGx 1.0 0.0 5.8 446 361 A 29 PHE H A 30 VAL HG1% 1.0 0.0 5.5 447 361 A 29 PHE H A 30 VAL HG2% 1.0 0.0 5.5 448 362 A 48 ILE H A 47 VAL HA 1.0 0.0 2.7 449 363 A 38 GLN H A 37 LEU HB3 1.0 0.0 4.8 450 363 A 37 LEU HB2 A 38 GLN H 1.0 0.0 4.8 451 364 A 20 LEU HA A 21 PRO HD3 1.0 0.0 5.0 452 365 A 52 ILE H A 51 SER HB2 1.0 0.0 4.8 453 365 A 52 ILE H A 51 SER HB3 1.0 0.0 4.8 454 366 A 60 LYS H A 59 PHE H 1.0 3.2 5.0 455 367 A 39 GLY H A 38 GLN HA 1.0 0.0 3.2 456 368 A 13 SER HA A 14 GLU H 1.0 0.0 2.7 457 369 A 72 GLU H A 71 VAL HA 1.0 0.0 2.7 458 370 A 67 SER H A 68 PRO HDy 1.0 3.2 8.2 459 370 A 67 SER H A 68 PRO HDx 1.0 3.2 8.2 460 371 A 24 GLU H A 23 VAL HA 1.0 0.0 2.7 461 372 A 60 LYS H A 59 PHE HB3 1.0 0.0 4.0 462 373 A 79 LEU H A 78 THR HG2% 1.0 0.0 4.0 463 374 A 42 VAL HB A 43 ARG H 1.0 0.0 3.2 464 375 A 25 LEU HB3 A 26 PRO HDy 1.0 0.0 4.8 465 375 A 25 LEU HB3 A 26 PRO HDx 1.0 0.0 4.8 466 376 A 42 VAL H A 43 ARG H 1.0 3.2 5.0 467 377 A 56 GLU H A 55 LYS HBy 1.0 0.0 4.8 468 377 A 56 GLU H A 55 LYS HBx 1.0 0.0 4.8 469 378 A 39 GLY H A 38 GLN HBx 1.0 0.0 5.0 470 378 A 39 GLY H A 38 GLN HBy 1.0 0.0 5.0 471 379 A 72 GLU H A 71 VAL HG1% 1.0 0.0 4.0 472 380 A 20 LEU H A 19 PRO HA 1.0 0.0 3.2 473 381 A 73 ASP H A 72 GLU HB2 1.0 0.0 4.0 474 382 A 77 ILE H A 76 LYS HGy 1.0 0.0 4.8 475 382 A 77 ILE H A 76 LYS HGx 1.0 0.0 4.8 476 383 A 52 ILE HA A 53 LEU H 1.0 0.0 3.2 477 384 A 64 ALA H A 63 GLN HGy 1.0 0.0 4.0 478 384 A 64 ALA H A 63 GLN HGx 1.0 0.0 4.0 479 385 A 52 ILE H A 53 LEU H 1.0 3.2 8.2 480 386 A 13 SER H A 12 MET HA 1.0 0.0 2.7 481 387 A 61 VAL H A 60 LYS HA 1.0 0.0 2.7 482 388 A 36 LYS H A 35 ILE HA 1.0 0.0 5.0 483 389 A 47 VAL H A 46 ASP HB3 1.0 0.0 3.2 484 390 A 13 SER H A 12 MET HGy 1.0 0.0 5.8 485 390 A 12 MET HGx A 13 SER H 1.0 0.0 5.8 486 391 A 29 PHE H A 30 VAL HB 1.0 0.0 5.5 487 392 A 70 ARG H A 69 LEU H 1.0 3.2 5.0 488 393 A 44 THR H A 43 ARG HA 1.0 0.0 2.7 489 394 A 70 ARG H A 71 VAL H 1.0 3.2 8.2 490 395 A 46 ASP H A 47 VAL H 1.0 3.2 5.0 491 396 A 20 LEU H A 21 PRO HD3 1.0 0.0 3.5 492 396 A 20 LEU H A 21 PRO HD2 1.0 0.0 3.5 493 397 A 34 ARG H A 33 ILE HG2% 1.0 0.0 4.0 494 398 A 22 LYS H A 21 PRO HA 1.0 0.0 3.2 495 399 A 58 LYS H A 59 PHE H 1.0 3.2 5.0 496 400 A 15 LEU H A 14 GLU HB2 1.0 0.0 4.0 497 400 A 15 LEU H A 14 GLU HB3 1.0 0.0 4.0 498 401 A 28 ASP H A 29 PHE H 1.0 0.0 4.0 499 402 A 10 VAL H A 11 ILE H 1.0 3.2 8.2 500 403 A 61 VAL H A 60 LYS HGy 1.0 0.0 4.8 501 403 A 61 VAL H A 60 LYS HGx 1.0 0.0 4.8 502 404 A 63 GLN H A 62 VAL HA 1.0 0.0 4.0 503 405 A 73 ASP H A 74 ARG H 1.0 2.7 5.0 504 406 A 48 ILE H A 49 GLY H 1.0 3.2 5.0 505 407 A 24 GLU H A 25 LEU H 1.0 3.2 8.2 506 408 A 55 LYS H A 54 GLY H 1.0 2.5 4.0 507 409 A 61 VAL H A 60 LYS HB3 1.0 0.0 5.0 508 410 A 30 VAL HB A 29 PHE HB3 1.0 0.0 5.0 509 411 A 46 ASP H A 45 GLY H 1.0 0.0 3.2 510 412 A 40 LYS H A 39 GLY HA2 1.0 0.0 4.0 511 413 A 57 VAL HG1% A 58 LYS H 1.0 0.0 5.8 512 414 A 51 SER H A 50 ILE H 1.0 3.2 8.2 513 415 A 65 TYR HA A 66 PRO HA 1.0 0.0 2.7 514 416 A 46 ASP H A 45 GLY HA2 1.0 2.7 7.7 515 417 A 15 LEU H A 14 GLU H 1.0 3.2 5.0 516 418 A 16 LYS H A 15 LEU HDx% 1.0 0.0 5.0 517 418 A 16 LYS H A 15 LEU HDy% 1.0 0.0 5.0 518 419 A 76 LYS H A 75 THR HG2% 1.0 0.0 4.0 519 420 A 13 SER HB3 A 14 GLU H 1.0 0.0 4.0 520 421 A 32 VAL H A 31 ASP HA 1.0 0.0 5.0 521 422 A 39 GLY H A 40 LYS H 1.0 0.0 3.2 522 423 A 77 ILE HB A 78 THR H 1.0 0.0 5.0 523 424 A 25 LEU HD2% A 26 PRO HDy 1.0 0.0 5.6 524 424 A 26 PRO HDx A 25 LEU HD2% 1.0 0.0 5.6 525 425 A 13 SER H A 14 GLU H 1.0 3.2 5.0 526 426 A 51 SER H A 52 ILE H 1.0 3.2 8.2 527 427 A 37 LEU H A 36 LYS HB2 1.0 0.0 4.0 528 427 A 37 LEU H A 36 LYS HB3 1.0 0.0 4.0 529 428 A 30 VAL H A 29 PHE HB3 1.0 0.0 4.8 530 428 A 30 VAL H A 29 PHE HB2 1.0 0.0 4.8 531 429 A 28 ASP H A 27 PRO HB2 1.0 0.0 4.0 532 430 A 37 LEU H A 36 LYS HA 1.0 0.0 5.0 533 431 A 55 LYS H A 54 GLY HA3 1.0 0.0 3.5 534 432 A 67 SER H A 66 PRO HB3 1.0 0.0 4.0 535 433 A 70 ARG H A 69 LEU HB3 1.0 0.0 5.0 536 434 A 25 LEU H A 24 GLU HA 1.0 0.0 2.7 537 435 A 54 GLY H A 53 LEU HBx 1.0 4.0 9.0 538 436 A 63 GLN H A 62 VAL HB 1.0 0.0 2.7 539 437 A 80 VAL H A 79 LEU HB3 1.0 0.0 5.0 540 438 A 49 GLY HA2 A 50 ILE H 1.0 0.0 3.2 541 439 A 57 VAL H A 58 LYS H 1.0 3.2 8.2 542 440 A 56 GLU H A 55 LYS HG2 1.0 0.0 5.8 543 440 A 56 GLU H A 55 LYS HG3 1.0 0.0 5.8 544 441 A 33 ILE H A 32 VAL HA 1.0 0.0 5.0 545 442 A 18 LYS H A 17 LEU HB2 1.0 0.0 4.0 546 443 A 42 VAL H A 41 THR HA 1.0 0.0 2.7 547 444 A 28 ASP H A 27 PRO HDy 1.0 0.0 4.8 548 444 A 28 ASP H A 27 PRO HDx 1.0 0.0 4.8 549 445 A 65 TYR HD% A 66 PRO HA 1.0 0.0 4.0 550 446 A 18 LYS H A 17 LEU HB3 1.0 0.0 5.0 551 447 A 34 ARG HA A 35 ILE H 1.0 0.0 5.0 552 448 A 28 ASP H A 27 PRO HA 1.0 0.0 3.5 553 449 A 72 GLU H A 71 VAL HG2% 1.0 0.0 5.8 554 450 A 26 PRO HA A 27 PRO HDy 1.0 0.0 3.2 555 450 A 27 PRO HDx A 26 PRO HA 1.0 0.0 3.2 556 451 A 75 THR H A 74 ARG HD2 1.0 0.0 5.8 557 451 A 75 THR H A 74 ARG HD3 1.0 0.0 5.8 558 452 A 34 ARG H A 35 ILE H 1.0 0.0 3.2 559 453 A 71 VAL H A 70 ARG HB3 1.0 0.0 4.0 560 453 A 71 VAL H A 70 ARG HB2 1.0 0.0 4.0 561 454 A 44 THR HA A 45 GLY H 1.0 0.0 3.2 562 455 A 51 SER H A 50 ILE HG2% 1.0 0.0 5.0 563 456 A 49 GLY H A 50 ILE H 1.0 3.2 5.0 564 457 A 62 VAL H A 61 VAL HG2% 1.0 0.0 5.8 565 458 A 20 LEU HB2 A 21 PRO HD3 1.0 0.0 4.8 566 458 A 21 PRO HD2 A 20 LEU HB2 1.0 0.0 4.8 567 459 A 18 LYS H A 17 LEU H 1.0 3.2 5.0 568 460 A 46 ASP HB2 A 47 VAL H 1.0 0.0 4.0 569 461 A 40 LYS H A 39 GLY HA3 1.0 0.0 4.0 570 462 A 64 ALA HB% A 63 GLN HA 1.0 0.0 5.8 571 463 A 14 GLU H A 13 SER HB2 1.0 0.0 5.0 572 464 A 61 VAL HG1% A 63 GLN H 1.0 0.0 4.0 573 465 A 57 VAL HG2% A 59 PHE HE1 1.0 0.0 6.6 574 465 A 57 VAL HG2% A 59 PHE HE2 1.0 0.0 6.6 575 466 A 75 THR H A 72 GLU HGy 1.0 0.0 4.8 576 466 A 75 THR H A 72 GLU HGx 1.0 0.0 4.8 577 467 A 25 LEU HB3 A 29 PHE HB2 1.0 0.0 5.0 578 468 A 46 ASP H A 43 ARG HB2 1.0 0.0 5.8 579 468 A 46 ASP H A 43 ARG HB3 1.0 0.0 5.8 580 469 A 29 PHE H A 26 PRO HDy 1.0 0.0 5.8 581 469 A 29 PHE H A 26 PRO HDx 1.0 0.0 5.8 582 470 A 63 GLN H A 61 VAL HA 1.0 0.0 4.0 583 471 A 29 PHE HA A 32 VAL HB 1.0 0.0 4.0 584 472 A 52 ILE H A 55 LYS H 1.0 0.0 4.0 585 473 A 52 ILE H A 55 LYS HBy 1.0 0.0 5.0 586 473 A 52 ILE H A 55 LYS HBx 1.0 0.0 5.0 587 474 A 57 VAL HB A 59 PHE HZ 1.0 0.0 5.0 588 475 A 21 PRO HD2 A 19 PRO HA 1.0 0.0 4.0 589 476 A 75 THR H A 72 GLU HB2 1.0 0.0 4.0 590 476 A 75 THR H A 72 GLU HB3 1.0 0.0 4.0 591 477 A 46 ASP H A 43 ARG H 1.0 0.0 5.0 592 478 A 69 LEU HG A 66 PRO HDy 1.0 0.0 5.8 593 478 A 66 PRO HDx A 69 LEU HG 1.0 0.0 5.8 594 479 A 40 LYS H A 38 GLN HA 1.0 0.0 5.0 595 480 A 57 VAL HG2% A 59 PHE HZ 1.0 0.0 5.8 596 481 A 25 LEU HD2% A 29 PHE HE1 1.0 0.0 4.0 597 482 A 19 PRO HB2 A 21 PRO HD3 1.0 0.0 4.8 598 482 A 19 PRO HB3 A 21 PRO HD3 1.0 0.0 4.8 599 482 A 21 PRO HD2 A 19 PRO HB2 1.0 0.0 4.8 600 482 A 21 PRO HD2 A 19 PRO HB3 1.0 0.0 4.8 601 483 A 25 LEU HB3 A 29 PHE HB3 1.0 0.0 5.0 602 484 A 50 ILE HG2% A 52 ILE HG12 1.0 0.0 4.3 603 484 A 50 ILE HG2% A 52 ILE HG13 1.0 0.0 4.3 604 485 A 72 GLU H A 75 THR HB 1.0 0.0 4.0 605 486 A 34 ARG HE A 31 ASP HA 1.0 0.0 5.0 606 487 A 29 PHE H A 26 PRO HGy 1.0 0.0 5.8 607 487 A 29 PHE H A 26 PRO HGx 1.0 0.0 5.8 608 488 A 29 PHE HD1 A 26 PRO HDy 1.0 0.0 5.8 609 488 A 29 PHE HD1 A 26 PRO HDx 1.0 0.0 5.8 610 489 A 38 GLN HE21 A 34 ARG HG2 1.0 0.0 4.0 611 489 A 38 GLN HE21 A 34 ARG HG3 1.0 0.0 4.0 612 490 A 25 LEU HD2% A 29 PHE HZ 1.0 0.0 4.0 613 491 A 72 GLU H A 75 THR HG2% 1.0 0.0 5.8 614 492 A 32 VAL HA A 35 ILE HB 1.0 0.0 4.0 615 493 A 29 PHE HD1 A 25 LEU HB3 1.0 0.0 5.8 616 493 A 25 LEU HB3 A 29 PHE HD2 1.0 0.0 5.8 617 494 A 30 VAL HB A 27 PRO HA 1.0 0.0 4.0 618 495 A 29 PHE HD2 A 33 ILE HG12 1.0 0.0 5.0 619 496 A 37 LEU H A 34 ARG HA 1.0 0.0 5.0 620 497 A 29 PHE HA A 32 VAL H 1.0 0.0 5.0 621 498 A 30 VAL HA A 33 ILE H 1.0 0.0 5.0 622 499 A 30 VAL HA A 33 ILE HG2% 1.0 0.0 4.8 623 500 A 65 TYR H A 69 LEU HD2% 1.0 0.0 4.8 624 501 A 69 LEU H A 67 SER HA 1.0 0.0 4.0 625 502 A 13 SER H A 11 ILE HG2% 1.0 0.0 4.8 626 503 A 75 THR H A 72 GLU H 1.0 2.7 5.0 627 504 A 61 VAL HG1% A 64 ALA H 1.0 0.0 5.8 628 505 A 75 THR HG2% A 71 VAL HA 1.0 0.0 5.8 629 506 A 29 PHE HB2 A 33 ILE HG12 1.0 0.0 5.0 630 507 A 34 ARG HA A 37 LEU HB3 1.0 0.0 5.0 631 508 A 15 LEU HDy% A 17 LEU HD1% 1.0 0.0 6.2 632 508 A 15 LEU HDx% A 17 LEU HD1% 1.0 0.0 6.2 633 508 A 17 LEU HD2% A 15 LEU HDx% 1.0 0.0 6.2 634 508 A 15 LEU HDy% A 17 LEU HD2% 1.0 0.0 6.2 635 509 A 29 PHE HD2 A 33 ILE HG13 1.0 0.0 4.0 636 510 A 71 VAL HA A 75 THR HB 1.0 0.0 4.0 637 511 A 52 ILE H A 56 GLU HA 1.0 0.0 5.0 638 512 A 35 ILE HA A 38 GLN HGy 1.0 0.0 4.0 639 512 A 35 ILE HA A 38 GLN HGx 1.0 0.0 4.0 640 513 A 30 VAL HA A 33 ILE HG13 1.0 0.0 5.8 641 513 A 30 VAL HA A 33 ILE HG12 1.0 0.0 5.8 642 514 A 75 THR HB A 77 ILE HD1% 1.0 0.0 5.8 643 515 A 33 ILE HD1% A 29 PHE HE2 1.0 0.0 5.8 644 516 A 74 ARG H A 72 GLU HGx 1.0 0.0 5.0 645 517 A 28 ASP HA A 31 ASP H 1.0 0.0 5.0 646 518 A 35 ILE HA A 38 GLN HBx 1.0 0.0 5.0 647 518 A 38 GLN HBy A 35 ILE HA 1.0 0.0 5.0 648 519 A 66 PRO HDy A 69 LEU HD1% 1.0 0.0 5.5 649 519 A 69 LEU HD2% A 66 PRO HDy 1.0 0.0 5.5 650 519 A 69 LEU HD2% A 66 PRO HDx 1.0 0.0 5.5 651 519 A 66 PRO HDx A 69 LEU HD1% 1.0 0.0 5.5 652 520 A 75 THR H A 73 ASP HA 1.0 0.0 5.0 653 521 A 37 LEU HB2 A 34 ARG HA 1.0 0.0 5.0 654 522 A 33 ILE HG2% A 37 LEU HD1% 1.0 0.0 5.5 655 522 A 33 ILE HG2% A 37 LEU HD2% 1.0 0.0 5.5 656 523 A 19 PRO HB2 A 23 VAL HG1% 1.0 0.0 4.8 657 523 A 19 PRO HB3 A 23 VAL HG1% 1.0 0.0 4.8 658 524 A 28 ASP H A 26 PRO HB3 1.0 0.0 5.0 659 525 A 29 PHE HA A 31 ASP H 1.0 0.0 5.0 660 526 A 28 ASP H A 26 PRO HA 1.0 0.0 5.0 661 527 A 30 VAL HA A 33 ILE HB 1.0 0.0 4.0 662 528 A 55 LYS H A 52 ILE HG2% 1.0 4.8 9.8 663 529 A 35 ILE H A 32 VAL HA 1.0 0.0 5.0 664 530 A 38 GLN H A 35 ILE HA 1.0 0.0 5.0 665 531 A 29 PHE HA A 33 ILE H 1.0 0.0 5.0 666 532 A 46 ASP H A 44 THR HA 1.0 0.0 5.0 667 533 A 25 LEU HB3 A 29 PHE H 1.0 4.0 9.0 668 534 A 69 LEU HB2 A 66 PRO HDy 1.0 0.0 5.8 669 534 A 69 LEU HB2 A 66 PRO HDx 1.0 0.0 5.8 670 535 A 75 THR H A 71 VAL HG1% 1.0 0.0 5.8 671 536 A 34 ARG H A 30 VAL HG1% 1.0 0.0 6.5 672 536 A 34 ARG H A 30 VAL HG2% 1.0 0.0 6.5 673 537 A 28 ASP H A 26 PRO HB2 1.0 0.0 4.0 674 538 A 74 ARG H A 72 GLU HB2 1.0 0.0 4.8 675 538 A 72 GLU HB3 A 74 ARG H 1.0 0.0 4.8 676 539 A 29 PHE H A 27 PRO HA 1.0 0.0 4.0 677 540 A 29 PHE H A 26 PRO HB2 1.0 3.2 8.2 678 541 A 46 ASP HB2 A 43 ARG H 1.0 0.0 4.0 679 542 A 55 LYS H A 53 LEU HBx 1.0 0.0 5.0 680 542 A 55 LYS H A 53 LEU HBy 1.0 0.0 5.0 681 543 A 64 ALA HB% A 67 SER HB3 1.0 0.0 4.0 682 544 A 33 ILE HG12 A 29 PHE HB3 1.0 0.0 5.0 683 545 A 69 LEU HB3 A 66 PRO HDy 1.0 0.0 4.8 684 545 A 69 LEU HB3 A 66 PRO HDx 1.0 0.0 4.8 685 546 A 55 LYS H A 53 LEU HA 1.0 4.0 9.0 686 547 A 30 VAL HA A 33 ILE HD1% 1.0 0.0 5.8 687 548 A 64 ALA HB% A 67 SER HB2 1.0 0.0 4.8 688 549 A 33 ILE HA A 36 LYS HB2 1.0 0.0 4.0 689 549 A 36 LYS HB3 A 33 ILE HA 1.0 0.0 4.0 690 550 A 34 ARG H A 31 ASP HA 1.0 0.0 5.0 691 551 A 36 LYS H A 33 ILE HA 1.0 0.0 5.0 692 552 A 23 VAL H A 19 PRO HGy 1.0 0.0 5.8 693 552 A 23 VAL H A 19 PRO HGx 1.0 0.0 5.8 694 553 A 43 ARG H A 46 ASP HB3 1.0 0.0 5.0 695 554 A 29 PHE HD2 A 33 ILE HD1% 1.0 0.0 4.0 696 555 A 74 ARG H A 72 GLU HGy 1.0 0.0 5.0 697 556 A 57 VAL HG2% A 59 PHE HD1 1.0 0.0 4.0 698 557 A 64 ALA H A 67 SER HB3 1.0 0.0 5.0 699 558 A 35 ILE HA A 38 GLN HE21 1.0 4.0 9.0 700 558 A 35 ILE HA A 38 GLN HE22 1.0 4.0 9.0 701 559 A 36 LYS H A 32 VAL HA 1.0 0.0 5.0 702 560 A 13 SER HB3 A 69 LEU HD1% 1.0 0.0 5.5 703 560 A 13 SER HB3 A 69 LEU HD2% 1.0 0.0 5.5 704 561 A 73 ASP H A 38 GLN HBy 1.0 4.0 9.0 705 562 A 13 SER HA A 66 PRO HDy 1.0 0.0 4.0 706 562 A 13 SER HA A 66 PRO HDx 1.0 0.0 4.0 707 563 A 71 VAL H A 40 LYS H 1.0 0.0 5.0 708 564 A 60 LYS HB3 A 20 LEU HD1% 1.0 0.0 4.7 709 564 A 60 LYS HB3 A 20 LEU HD2% 1.0 0.0 4.7 710 565 A 17 LEU HA A 62 VAL H 1.0 0.0 4.0 711 566 A 17 LEU HB2 A 59 PHE HD1 1.0 0.0 5.8 712 566 A 17 LEU HB2 A 59 PHE HD2 1.0 0.0 5.8 713 567 A 70 ARG HG3 A 39 GLY HA2 1.0 0.0 4.8 714 567 A 39 GLY HA2 A 70 ARG HG2 1.0 0.0 4.8 715 568 A 17 LEU HA A 63 GLN H 1.0 0.0 5.0 716 569 A 61 VAL HG2% A 46 ASP HB3 1.0 0.0 5.8 717 570 A 77 ILE HB A 30 VAL HG1% 1.0 0.0 4.2 718 570 A 77 ILE HB A 30 VAL HG2% 1.0 0.0 4.2 719 571 A 34 ARG HA A 77 ILE HD1% 1.0 0.0 5.8 720 572 A 59 PHE H A 48 ILE HG1x 1.0 4.0 9.0 721 573 A 59 PHE H A 48 ILE HG1y 1.0 4.0 9.0 722 574 A 25 LEU HD1% A 59 PHE HE2 1.0 0.0 5.8 723 575 A 13 SER HB2 A 69 LEU HD1% 1.0 0.0 4.7 724 575 A 13 SER HB2 A 69 LEU HD2% 1.0 0.0 4.7 725 576 A 73 ASP H A 38 GLN HE22 1.0 4.0 9.0 726 577 A 39 GLY H A 71 VAL HG1% 1.0 0.0 5.0 727 578 A 42 VAL H A 69 LEU HD1% 1.0 0.0 4.7 728 578 A 42 VAL H A 69 LEU HD2% 1.0 0.0 4.7 729 579 A 65 TYR HD% A 14 GLU H 1.0 0.0 5.8 730 580 A 76 LYS H A 14 GLU HA 1.0 0.0 3.2 731 581 A 41 THR HG2% A 68 PRO HB2 1.0 0.0 3.5 732 582 A 39 GLY HA2 A 70 ARG HB3 1.0 4.0 9.0 733 583 A 39 GLY H A 71 VAL HB 1.0 0.0 4.0 734 584 A 13 SER HB3 A 66 PRO HDy 1.0 0.0 5.8 735 584 A 13 SER HB3 A 66 PRO HDx 1.0 0.0 5.8 736 585 A 57 VAL H A 50 ILE HG13 1.0 0.0 6.5 737 585 A 57 VAL H A 50 ILE HG12 1.0 0.0 6.5 738 586 A 63 GLN HA A 44 THR HG2% 1.0 0.0 3.2 739 587 A 51 SER HA A 56 GLU HBy 1.0 4.0 9.0 740 588 A 65 TYR HB3 A 14 GLU HB2 1.0 0.0 4.0 741 588 A 65 TYR HB3 A 14 GLU HB3 1.0 0.0 4.0 742 589 A 14 GLU H A 69 LEU HD1% 1.0 0.0 5.0 743 589 A 14 GLU H A 69 LEU HD2% 1.0 0.0 5.0 744 590 A 61 VAL H A 46 ASP H 1.0 0.0 5.0 745 591 A 61 VAL HA A 17 LEU HB3 1.0 4.0 9.0 746 592 A 34 ARG H A 77 ILE HD1% 1.0 0.0 5.8 747 593 A 62 VAL H A 17 LEU HB2 1.0 4.0 9.0 748 594 A 13 SER HB2 A 66 PRO HDy 1.0 0.0 5.8 749 594 A 13 SER HB2 A 66 PRO HDx 1.0 0.0 5.8 750 595 A 71 VAL H A 39 GLY HA3 1.0 0.0 5.8 751 595 A 71 VAL H A 39 GLY HA2 1.0 0.0 5.8 752 596 A 59 PHE HB3 A 17 LEU HB3 1.0 0.0 5.0 753 597 A 17 LEU HA A 61 VAL HA 1.0 0.0 3.2 754 598 A 29 PHE HB2 A 79 LEU HDx% 1.0 0.0 4.8 755 599 A 45 GLY HA2 A 60 LYS HE2 1.0 0.0 4.0 756 599 A 45 GLY HA2 A 60 LYS HE3 1.0 0.0 4.0 757 600 A 64 ALA H A 44 THR HA 1.0 0.0 5.0 758 601 A 75 THR HG2% A 14 GLU H 1.0 0.0 5.8 759 602 A 61 VAL HG1% A 46 ASP H 1.0 0.0 4.8 760 603 A 41 THR HG2% A 68 PRO HB3 1.0 0.0 4.0 761 604 A 75 THR HG2% A 13 SER HB2 1.0 0.0 4.0 762 605 A 70 ARG HA A 41 THR HA 1.0 0.0 2.7 763 606 A 14 GLU HA A 76 LYS HB2 1.0 0.0 4.0 764 606 A 76 LYS HB3 A 14 GLU HA 1.0 0.0 4.0 765 607 A 78 THR H A 16 LYS HA 1.0 0.0 4.0 766 608 A 19 PRO HB3 A 59 PHE HE1 1.0 0.0 5.6 767 608 A 19 PRO HB3 A 59 PHE HE2 1.0 0.0 5.6 768 608 A 59 PHE HE2 A 19 PRO HB2 1.0 0.0 5.6 769 608 A 19 PRO HB2 A 59 PHE HE1 1.0 0.0 5.6 770 609 A 57 VAL HG2% A 21 PRO HGy 1.0 0.0 4.8 771 609 A 57 VAL HG2% A 21 PRO HGx 1.0 0.0 4.8 772 610 A 51 SER HB3 A 56 GLU HGy 1.0 0.0 5.8 773 610 A 51 SER HB2 A 56 GLU HGy 1.0 0.0 5.8 774 610 A 56 GLU HGx A 51 SER HB2 1.0 0.0 5.8 775 610 A 56 GLU HGx A 51 SER HB3 1.0 0.0 5.8 776 611 A 39 GLY H A 72 GLU HA 1.0 0.0 5.0 777 612 A 59 PHE HD1 A 17 LEU HD1% 1.0 0.0 5.8 778 612 A 17 LEU HD1% A 59 PHE HD2 1.0 0.0 5.8 779 613 A 59 PHE H A 47 VAL HG1% 1.0 0.0 5.0 780 614 A 50 ILE HB A 59 PHE HD1 1.0 0.0 5.8 781 614 A 50 ILE HB A 59 PHE HD2 1.0 0.0 5.8 782 615 A 57 VAL H A 50 ILE H 1.0 0.0 4.0 783 616 A 80 VAL HB A 18 LYS HA 1.0 0.0 5.0 784 617 A 57 VAL HA A 21 PRO HD3 1.0 0.0 4.0 785 618 A 73 ASP HA A 34 ARG HG2 1.0 0.0 4.8 786 618 A 73 ASP HA A 34 ARG HG3 1.0 0.0 4.8 787 619 A 59 PHE HD1 A 50 ILE HD1% 1.0 0.0 5.8 788 619 A 50 ILE HD1% A 59 PHE HD2 1.0 0.0 5.8 789 620 A 64 ALA H A 44 THR HB 1.0 0.0 5.0 790 621 A 65 TYR H A 15 LEU HA 1.0 0.0 4.0 791 622 A 40 LYS H A 71 VAL HB 1.0 0.0 4.0 792 623 A 50 ILE HB A 59 PHE HZ 1.0 0.0 5.0 793 624 A 57 VAL H A 50 ILE HB 1.0 0.0 5.0 794 625 A 52 ILE HD1% A 29 PHE HE2 1.0 0.0 4.0 795 626 A 71 VAL HG1% A 34 ARG HA 1.0 0.0 5.8 796 627 A 65 TYR H A 14 GLU HB2 1.0 0.0 5.8 797 627 A 65 TYR H A 14 GLU HB3 1.0 0.0 5.8 798 628 A 58 LYS H A 21 PRO HD2 1.0 0.0 5.0 799 629 A 64 ALA H A 44 THR HG2% 1.0 0.0 4.0 800 630 A 69 LEU H A 42 VAL HG2% 1.0 0.0 5.8 801 631 A 49 GLY HA2 A 58 LYS HA 1.0 0.0 2.7 802 632 A 18 LYS H A 61 VAL HA 1.0 0.0 5.0 803 633 A 65 TYR HB2 A 14 GLU H 1.0 0.0 4.0 804 634 A 61 VAL HG1% A 44 THR H 1.0 0.0 5.8 805 635 A 64 ALA HB% A 44 THR HA 1.0 0.0 5.8 806 636 A 63 GLN H A 16 LYS HD2 1.0 0.0 5.8 807 636 A 63 GLN H A 16 LYS HD3 1.0 0.0 5.8 808 637 A 59 PHE H A 48 ILE HD1% 1.0 4.0 9.0 809 638 A 63 GLN H A 16 LYS HB2 1.0 0.0 3.2 810 639 A 43 ARG HG2 A 68 PRO HB3 1.0 0.0 4.0 811 639 A 43 ARG HG3 A 68 PRO HB3 1.0 0.0 4.0 812 640 A 59 PHE HA A 19 PRO HA 1.0 0.0 3.2 813 641 A 18 LYS H A 62 VAL HG2% 1.0 0.0 5.0 814 642 A 71 VAL HG1% A 38 GLN HA 1.0 0.0 4.0 815 643 A 45 GLY HA3 A 60 LYS HE2 1.0 0.0 5.0 816 643 A 45 GLY HA3 A 60 LYS HE3 1.0 0.0 5.0 817 644 A 61 VAL HA A 17 LEU HB2 1.0 4.0 9.0 818 645 A 71 VAL HB A 38 GLN HA 1.0 0.0 3.2 819 646 A 73 ASP HA A 34 ARG HE 1.0 0.0 5.0 820 647 A 42 VAL H A 69 LEU HG 1.0 0.0 5.0 821 648 A 25 LEU HD1% A 59 PHE HZ 1.0 0.0 5.8 822 649 A 78 THR HB A 16 LYS HB3 1.0 0.0 5.0 823 650 A 79 LEU HA A 17 LEU HB2 1.0 0.0 5.0 824 651 A 18 LYS H A 59 PHE HB3 1.0 0.0 5.0 825 652 A 42 VAL H A 70 ARG HA 1.0 0.0 4.0 826 653 A 63 GLN H A 15 LEU HA 1.0 0.0 5.0 827 654 A 18 LYS H A 62 VAL H 1.0 0.0 5.0 828 655 A 63 GLN H A 44 THR HG2% 1.0 0.0 5.8 829 656 A 65 TYR HB2 A 14 GLU HB2 1.0 0.0 4.0 830 656 A 65 TYR HB2 A 14 GLU HB3 1.0 0.0 4.0 831 657 A 41 THR HA A 70 ARG HG2 1.0 0.0 5.8 832 657 A 41 THR HA A 70 ARG HG3 1.0 0.0 5.8 833 658 A 62 VAL HG2% A 18 LYS HB3 1.0 0.0 4.0 834 659 A 65 TYR H A 14 GLU H 1.0 0.0 4.0 835 660 A 71 VAL HG1% A 38 GLN H 1.0 0.0 5.0 836 661 A 46 ASP H A 61 VAL HG2% 1.0 0.0 5.8 837 662 A 59 PHE HZ A 50 ILE HD1% 1.0 0.0 5.8 838 663 A 49 GLY HA3 A 58 LYS HA 1.0 0.0 5.0 839 664 A 39 GLY H A 71 VAL H 1.0 3.2 5.0 840 665 A 50 ILE H A 58 LYS HA 1.0 0.0 4.0 841 666 A 59 PHE HB2 A 48 ILE HD1% 1.0 0.0 5.8 842 667 A 64 ALA HB% A 44 THR H 1.0 0.0 4.0 843 668 A 60 LYS H A 17 LEU HB3 1.0 0.0 5.0 844 669 A 29 PHE HB3 A 79 LEU HDx% 1.0 0.0 4.8 845 670 A 61 VAL HB A 44 THR HA 1.0 0.0 4.0 846 671 A 17 LEU HA A 62 VAL HG2% 1.0 0.0 4.0 847 672 A 78 THR HB A 16 LYS HA 1.0 0.0 3.2 848 673 A 44 THR H A 67 SER HB3 1.0 0.0 4.0 849 673 A 44 THR H A 67 SER HB2 1.0 0.0 4.0 850 674 A 59 PHE HD1 A 19 PRO HDy 1.0 0.0 5.8 851 674 A 19 PRO HDy A 59 PHE HD2 1.0 0.0 5.8 852 674 A 19 PRO HDx A 59 PHE HD2 1.0 0.0 5.8 853 674 A 19 PRO HDx A 59 PHE HD1 1.0 0.0 5.8 854 675 A 29 PHE HE2 A 53 LEU HDx% 1.0 0.0 4.8 855 675 A 29 PHE HE2 A 53 LEU HDy% 1.0 0.0 4.8 856 676 A 60 LYS H A 18 LYS HB3 1.0 0.0 5.0 857 676 A 60 LYS H A 18 LYS HB2 1.0 0.0 5.0 858 677 A 51 SER HA A 56 GLU HA 1.0 0.0 3.2 859 678 A 61 VAL HB A 45 GLY H 1.0 0.0 3.2 860 679 A 78 THR HB A 16 LYS HGy 1.0 0.0 4.0 861 679 A 78 THR HB A 16 LYS HGx 1.0 0.0 4.0 862 680 A 59 PHE HB3 A 17 LEU HD1% 1.0 0.0 4.7 863 680 A 59 PHE HB3 A 17 LEU HD2% 1.0 0.0 4.7 864 681 A 80 VAL H A 18 LYS HA 1.0 0.0 5.0 865 682 A 65 TYR HB3 A 14 GLU H 1.0 0.0 5.0 866 683 A 15 LEU H A 77 ILE HG2% 1.0 0.0 5.0 867 684 A 38 GLN HBy A 72 GLU HA 1.0 4.0 9.0 868 685 A 63 GLN H A 16 LYS HB3 1.0 0.0 5.0 869 686 A 73 ASP H A 38 GLN HE21 1.0 4.0 9.0 870 687 A 48 ILE H A 60 LYS HA 1.0 0.0 4.0 871 688 A 57 VAL H A 49 GLY HA2 1.0 0.0 5.5 872 689 A 61 VAL HB A 45 GLY HA3 1.0 0.0 5.0 873 690 A 59 PHE H A 47 VAL HA 1.0 0.0 5.0 874 691 A 59 PHE HB3 A 48 ILE HD1% 1.0 0.0 5.8 875 692 A 16 LYS H A 64 ALA HA 1.0 0.0 4.0 876 693 A 33 ILE HA A 50 ILE HD1% 1.0 0.0 5.8 877 694 A 60 LYS H A 20 LEU HD2% 1.0 0.0 5.0 878 695 A 75 THR HG2% A 15 LEU H 1.0 0.0 4.8 879 696 A 13 SER H A 66 PRO HDy 1.0 0.0 5.8 880 696 A 13 SER H A 66 PRO HDx 1.0 0.0 5.8 881 697 A 17 LEU HB3 A 59 PHE HD1 1.0 0.0 4.8 882 697 A 17 LEU HB3 A 59 PHE HD2 1.0 0.0 4.8 883 698 A 71 VAL H A 41 THR HA 1.0 0.0 3.5 884 699 A 65 TYR H A 42 VAL HG1% 1.0 0.0 5.5 885 699 A 65 TYR H A 42 VAL HG2% 1.0 0.0 5.5 886 700 A 69 LEU H A 41 THR HG2% 1.0 0.0 5.8 887 701 A 69 LEU H A 42 VAL H 1.0 0.0 4.0 888 702 A 59 PHE HD1 A 50 ILE HG13 1.0 0.0 5.8 889 702 A 50 ILE HG13 A 59 PHE HD2 1.0 0.0 5.8 890 703 A 48 ILE H A 59 PHE HB2 1.0 0.0 5.0 891 704 A 34 ARG HA A 77 ILE HG2% 1.0 0.0 5.8 892 705 A 52 ILE HD1% A 29 PHE HD2 1.0 0.0 4.8 893 706 A 75 THR HG2% A 14 GLU HA 1.0 0.0 4.8 894 707 A 15 LEU H A 77 ILE HD1% 1.0 0.0 5.8 895 708 A 59 PHE HA A 20 LEU H 1.0 0.0 4.0 896 709 A 58 LYS HB3 A 20 LEU HD1% 1.0 0.0 4.3 897 710 A 72 GLU HA A 38 GLN HGy 1.0 0.0 5.8 898 710 A 72 GLU HA A 38 GLN HGx 1.0 0.0 5.8 899 711 A 76 LYS H A 15 LEU H 1.0 0.0 5.0 900 712 A 51 SER HA A 56 GLU HGy 1.0 4.0 9.0 901 712 A 51 SER HA A 56 GLU HGx 1.0 4.0 9.0 902 713 A 59 PHE HA A 20 LEU HG 1.0 0.0 5.0 903 714 A 45 GLY H A 61 VAL HG2% 1.0 0.0 5.8 904 715 A 71 VAL HG2% A 40 LYS H 1.0 0.0 5.0 905 716 A 63 GLN H A 16 LYS H 1.0 0.0 4.0 906 717 A 13 SER H A 76 LYS HE2 1.0 0.0 5.8 907 717 A 13 SER H A 76 LYS HE3 1.0 0.0 5.8 908 718 A 60 LYS HB2 A 20 LEU HD1% 1.0 0.0 4.7 909 718 A 60 LYS HB2 A 20 LEU HD2% 1.0 0.0 4.7 910 719 A 59 PHE H A 49 GLY HA2 1.0 0.0 4.0 911 720 A 57 VAL HG2% A 21 PRO HD3 1.0 0.0 4.8 912 720 A 57 VAL HG2% A 21 PRO HD2 1.0 0.0 4.8 913 721 A 42 VAL HB A 61 VAL HG2% 1.0 4.0 9.0 914 722 A 19 PRO HDx A 79 LEU HDx% 1.0 0.0 6.3 915 722 A 19 PRO HDy A 79 LEU HDx% 1.0 0.0 6.3 916 722 A 79 LEU HDy% A 19 PRO HDy 1.0 0.0 6.3 917 722 A 79 LEU HDy% A 19 PRO HDx 1.0 0.0 6.3 918 723 A 19 PRO HB3 A 59 PHE HD2 1.0 0.0 5.8 919 723 A 19 PRO HB2 A 59 PHE HD2 1.0 0.0 5.8 920 723 A 59 PHE HD1 A 19 PRO HB2 1.0 0.0 5.8 921 723 A 19 PRO HB3 A 59 PHE HD1 1.0 0.0 5.8 922 724 A 63 GLN H A 16 LYS HGy 1.0 0.0 5.8 923 724 A 63 GLN H A 16 LYS HGx 1.0 0.0 5.8 924 725 A 38 GLN HA A 72 GLU HA 1.0 0.0 5.0 925 726 A 61 VAL HB A 46 ASP H 1.0 0.0 3.2 926 727 A 71 VAL HG1% A 38 GLN HGy 1.0 0.0 6.6 927 727 A 71 VAL HG1% A 38 GLN HGx 1.0 0.0 6.6 928 728 A 78 THR H A 15 LEU HB3 1.0 0.0 5.8 929 728 A 78 THR H A 15 LEU HB2 1.0 0.0 5.8 930 729 A 59 PHE HA A 48 ILE HD1% 1.0 0.0 5.8 931 730 A 57 VAL H A 50 ILE HG2% 1.0 0.0 5.8 932 731 A 61 VAL H A 45 GLY H 1.0 0.0 5.0 933 732 A 73 ASP HA A 34 ARG HDy 1.0 0.0 4.8 934 732 A 73 ASP HA A 34 ARG HDx 1.0 0.0 4.8 935 733 A 57 VAL H A 51 SER HA 1.0 0.0 5.0 936 734 A 59 PHE HB2 A 50 ILE HD1% 1.0 4.0 9.0 937 735 A 70 ARG HG3 A 39 GLY HA3 1.0 0.0 5.8 938 735 A 39 GLY HA3 A 70 ARG HG2 1.0 0.0 5.8 939 736 A 77 ILE HA A 15 LEU H 1.0 0.0 3.2 940 737 A 80 VAL HB A 18 LYS HB2 1.0 0.0 3.2 941 738 A 44 THR HA A 63 GLN HA 1.0 0.0 4.0 942 739 A 58 LYS HB2 A 20 LEU HD1% 1.0 0.0 4.0 943 740 A 59 PHE HD1 A 50 ILE HG12 1.0 0.0 5.8 944 740 A 50 ILE HG12 A 59 PHE HD2 1.0 0.0 5.8 945 741 A 61 VAL HG1% A 45 GLY H 1.0 0.0 4.8 946 742 A 30 VAL HA A 77 ILE HD1% 1.0 0.0 5.8 947 743 A 62 VAL HG2% A 18 LYS HB2 1.0 0.0 3.5 948 744 A 60 LYS H A 19 PRO HA 1.0 0.0 5.0 949 745 A 17 LEU H A 79 LEU HA 1.0 0.0 3.5 950 746 A 60 LYS H A 20 LEU H 1.0 4.0 9.0 951 747 A 71 VAL HG1% A 38 GLN HE22 1.0 0.0 4.8 952 748 A 50 ILE H A 56 GLU HGy 1.0 0.0 5.0 953 748 A 56 GLU HGx A 50 ILE H 1.0 0.0 5.0 954 749 A 58 LYS H A 21 PRO HD3 1.0 0.0 4.0 955 750 A 19 PRO HA A 59 PHE HD1 1.0 0.0 4.0 956 750 A 19 PRO HA A 59 PHE HD2 1.0 0.0 4.0 957 751 A 57 VAL HG1% A 52 ILE H 1.0 0.0 4.8 958 752 A 46 ASP HB2 A 61 VAL HG2% 1.0 0.0 4.8 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 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 80 VAL H A 17 LEU O 1.0 1.8 2.6 2 2 A 17 LEU H A 78 THR O 1.0 1.8 2.6 3 3 A 78 THR H A 15 LEU O 1.0 1.8 2.6 4 4 A 15 LEU H A 76 LYS O 1.0 1.8 2.6 5 5 A 76 LYS H A 13 SER O 1.0 1.8 2.6 6 6 A 14 GLU H A 65 TYR O 1.0 1.8 2.6 7 7 A 65 TYR H A 14 GLU O 1.0 1.8 2.6 8 8 A 16 LYS H A 63 GLN O 1.0 1.8 2.6 9 9 A 63 GLN H A 16 LYS O 1.0 1.8 2.6 10 10 A 62 VAL H A 16 LYS O 1.0 1.8 2.6 11 11 A 18 LYS H A 60 LYS O 1.0 1.8 2.6 12 12 A 60 LYS H A 18 LYS O 1.0 1.8 2.6 13 13 A 38 GLN H A 34 ARG O 1.0 1.8 2.6 14 14 A 37 LEU H A 33 ILE O 1.0 1.8 2.6 15 15 A 36 LYS H A 32 VAL O 1.0 1.8 2.6 16 16 A 35 ILE H A 31 ASP O 1.0 1.8 2.6 17 17 A 34 ARG H A 30 VAL O 1.0 1.8 2.6 18 18 A 33 ILE H A 29 PHE O 1.0 1.8 2.6 19 19 A 32 VAL H A 28 ASP O 1.0 1.8 2.6 20 20 A 71 VAL H A 40 LYS O 1.0 1.8 2.6 21 21 A 42 VAL H A 69 LEU O 1.0 1.8 2.6 22 22 A 69 LEU H A 42 VAL O 1.0 1.8 2.6 23 23 A 61 VAL H A 46 ASP O 1.0 1.8 2.6 24 24 A 48 ILE H A 59 PHE O 1.0 1.8 2.6 25 25 A 59 PHE H A 48 ILE O 1.0 1.8 2.6 26 26 A 50 ILE H A 57 VAL O 1.0 1.8 2.6 27 27 A 57 VAL H A 50 ILE O 1.0 1.8 2.6 28 28 A 52 ILE H A 55 LYS O 1.0 1.8 2.6 29 29 A 20 LEU H A 58 LYS O 1.0 1.8 2.6 30 30 A 40 LYS H A 37 LEU O 1.0 1.8 2.6 31 31 A 45 GLY H A 61 VAL O 1.0 1.8 2.6 32 32 A 46 ASP H A 43 ARG O 1.0 1.8 2.6 33 33 A 43 ARG H A 46 ASP OD1 1.0 1.8 2.6 34 34 A 61 VAL H A 46 ASP O 1.0 1.8 2.6 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 11 ILE C A 12 MET N A 12 MET CA A 12 MET C 1.0 -145.0 -77.0 PHI 2 2 A 12 MET N A 12 MET CA A 12 MET C A 13 SER N 1.0 105.0 183.0 PSI 3 3 A 12 MET C A 13 SER N A 13 SER CA A 13 SER C 1.0 -131.0 -69.0 PHI 4 4 A 13 SER N A 13 SER CA A 13 SER C A 14 GLU N 1.0 116.0 164.0 PSI 5 5 A 13 SER C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -159.0 -123.0 PHI 6 6 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 LEU N 1.0 124.0 164.0 PSI 7 7 A 14 GLU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -161.0 -113.0 PHI 8 8 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 120.0 162.0 PSI 9 9 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -139.0 -97.0 PHI 10 10 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 113.0 151.0 PSI 11 11 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -150.0 -114.0 PHI 12 12 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 LYS N 1.0 129.0 169.0 PSI 13 13 A 17 LEU C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -151.0 -121.0 PHI 14 14 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 PRO N 1.0 129.0 169.0 PSI 15 15 A 18 LYS C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -92.0 -50.0 PHI 16 16 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 LEU N 1.0 110.0 164.0 PSI 17 17 A 22 LYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -151.0 -93.0 PHI 18 18 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLU N 1.0 127.0 179.0 PSI 19 19 A 24 GLU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -113.0 -59.0 PHI 20 20 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 PRO N 1.0 128.0 168.0 PSI 21 21 A 25 LEU C A 26 PRO N A 26 PRO CA A 26 PRO C 1.0 -71.0 -51.0 PHI 22 22 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 PRO N 1.0 132.0 166.0 PSI 23 23 A 26 PRO C A 27 PRO N A 27 PRO CA A 27 PRO C 1.0 -72.0 -46.0 PHI 24 24 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 ASP N 1.0 -48.0 -10.0 PSI 25 25 A 28 ASP C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -75.0 -51.0 PHI 26 26 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 VAL N 1.0 -54.0 -30.0 PSI 27 27 A 29 PHE C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -74.0 -54.0 PHI 28 28 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ASP N 1.0 -53.0 -33.0 PSI 29 29 A 30 VAL C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -70.0 -48.0 PHI 30 30 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 VAL N 1.0 -53.0 -23.0 PSI 31 31 A 31 ASP C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -79.0 -55.0 PHI 32 32 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 ILE N 1.0 -52.0 -36.0 PSI 33 33 A 32 VAL C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -75.0 -53.0 PHI 34 34 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ARG N 1.0 -60.0 -32.0 PSI 35 35 A 33 ILE C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -65.0 -47.0 PHI 36 36 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 ILE N 1.0 -54.0 -34.0 PSI 37 37 A 34 ARG C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -75.0 -51.0 PHI 38 38 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LYS N 1.0 -51.0 -23.0 PSI 39 39 A 35 ILE C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -79.0 -57.0 PHI 40 40 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 LEU N 1.0 -44.0 -18.0 PSI 41 41 A 38 GLN C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 79.0 109.0 PHI 42 42 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 LYS N 1.0 -30.0 0.0 PSI 43 43 A 39 GLY C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -111.0 -61.0 PHI 44 44 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 THR N 1.0 113.0 155.0 PSI 45 45 A 40 LYS C A 41 THR N A 41 THR CA A 41 THR C 1.0 -129.0 -87.0 PHI 46 46 A 41 THR N A 41 THR CA A 41 THR C A 42 VAL N 1.0 117.0 161.0 PSI 47 47 A 41 THR C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -151.0 -117.0 PHI 48 48 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ARG N 1.0 135.0 171.0 PSI 49 49 A 42 VAL C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -136.0 -98.0 PHI 50 50 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 THR N 1.0 106.0 156.0 PSI 51 51 A 43 ARG C A 44 THR N A 44 THR CA A 44 THR C 1.0 -69.0 -41.0 PHI 52 52 A 44 THR N A 44 THR CA A 44 THR C A 45 GLY N 1.0 122.0 142.0 PSI 53 53 A 44 THR C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 86.0 106.0 PHI 54 54 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ASP N 1.0 -17.0 9.0 PSI 55 55 A 45 GLY C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -95.0 -59.0 PHI 56 56 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 VAL N 1.0 125.0 153.0 PSI 57 57 A 46 ASP C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -134.0 -88.0 PHI 58 58 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 ILE N 1.0 118.0 158.0 PSI 59 59 A 47 VAL C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -147.0 -87.0 PHI 60 60 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 GLY N 1.0 124.0 162.0 PSI 61 61 A 48 ILE C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 -157.0 -101.0 PHI 62 62 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 ILE N 1.0 108.0 158.0 PSI 63 63 A 49 GLY C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -141.0 -93.0 PHI 64 64 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 SER N 1.0 112.0 150.0 PSI 65 65 A 50 ILE C A 51 SER N A 51 SER CA A 51 SER C 1.0 -116.0 -72.0 PHI 66 66 A 51 SER N A 51 SER CA A 51 SER C A 52 ILE N 1.0 114.0 146.0 PSI 67 67 A 51 SER C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -148.0 -92.0 PHI 68 68 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 LEU N 1.0 113.0 149.0 PSI 69 69 A 52 ILE C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 44.0 64.0 PHI 70 70 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLY N 1.0 33.0 49.0 PSI 71 71 A 53 LEU C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 60.0 84.0 PHI 72 72 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 LYS N 1.0 -10.0 34.0 PSI 73 73 A 54 GLY C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -144.0 -88.0 PHI 74 74 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 GLU N 1.0 126.0 166.0 PSI 75 75 A 56 GLU C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -135.0 -87.0 PHI 76 76 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 LYS N 1.0 107.0 157.0 PSI 77 77 A 57 VAL C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -121.0 -77.0 PHI 78 78 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 PHE N 1.0 113.0 161.0 PSI 79 79 A 58 LYS C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -134.0 -108.0 PHI 80 80 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 LYS N 1.0 132.0 166.0 PSI 81 81 A 59 PHE C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -142.0 -94.0 PHI 82 82 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 VAL N 1.0 104.0 156.0 PSI 83 83 A 60 LYS C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -105.0 -63.0 PHI 84 84 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 VAL N 1.0 97.0 173.0 PSI 85 85 A 63 GLN C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -156.0 -102.0 PHI 86 86 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 TYR N 1.0 112.0 162.0 PSI 87 87 A 64 ALA C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -129.0 -69.0 PHI 88 88 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 PRO N 1.0 106.0 148.0 PSI 89 89 A 65 TYR C A 66 PRO N A 66 PRO CA A 66 PRO C 1.0 -78.0 -50.0 PHI 90 90 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 SER N 1.0 135.0 163.0 PSI 91 91 A 66 PRO C A 67 SER N A 67 SER CA A 67 SER C 1.0 -147.0 -103.0 PHI 92 92 A 67 SER N A 67 SER CA A 67 SER C A 68 PRO N 1.0 79.0 159.0 PSI 93 93 A 67 SER C A 68 PRO N A 68 PRO CA A 68 PRO C 1.0 -88.0 -54.0 PHI 94 94 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 LEU N 1.0 127.0 171.0 PSI 95 95 A 68 PRO C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -144.0 -84.0 PHI 96 96 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 ARG N 1.0 107.0 155.0 PSI 97 97 A 69 LEU C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -131.0 -83.0 PHI 98 98 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 VAL N 1.0 103.0 149.0 PSI 99 99 A 71 VAL C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -131.0 -85.0 PHI 100 100 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 ASP N 1.0 115.0 183.0 PSI 101 101 A 73 ASP C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -111.0 -65.0 PHI 102 102 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 THR N 1.0 -20.0 12.0 PSI 103 103 A 76 LYS C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -126.0 -84.0 PHI 104 104 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 THR N 1.0 114.0 150.0 PSI 105 105 A 77 ILE C A 78 THR N A 78 THR CA A 78 THR C 1.0 -148.0 -102.0 PHI 106 106 A 78 THR N A 78 THR CA A 78 THR C A 79 LEU N 1.0 115.0 151.0 PSI 107 107 A 78 THR C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -123.0 -89.0 PHI 108 108 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 VAL N 1.0 111.0 147.0 PSI 109 109 A 79 LEU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -117.0 -83.0 PHI 110 110 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 THR N 1.0 103.0 155.0 PSI 111 111 A 8 GLU C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 60.0 300.0 PHI 112 112 A 8 GLU C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -150.0 150.0 PHI 113 113 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 VAL N 1.0 -40.0 220.0 PSI 114 114 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 VAL N 1.0 -230.0 70.0 PSI 115 115 A 81 THR C A 82 HIS N A 82 HIS CA A 82 HIS C 1.0 -155.0 -65.0 PHI 116 116 A 82 HIS N A 82 HIS CA A 82 HIS C A 83 PRO N 1.0 -60.0 190.0 PSI 117 117 A 15 LEU N A 15 LEU CA A 15 LEU CB A 15 LEU CG 1.0 -210.0 -30.0 CHI1 118 118 A 15 LEU N A 15 LEU CA A 15 LEU CB A 15 LEU CG 1.0 -90.0 210.0 CHI1 119 119 A 15 LEU CA A 15 LEU CB A 15 LEU CG A 15 LEU CD1 1.0 30.0 210.0 CHI2 120 120 A 15 LEU CA A 15 LEU CB A 15 LEU CG A 15 LEU CD1 1.0 -210.0 90.0 CHI2 121 121 A 53 LEU N A 53 LEU CA A 53 LEU CB A 53 LEU CG 1.0 -210.0 -30.0 CHI1 122 122 A 53 LEU N A 53 LEU CA A 53 LEU CB A 53 LEU CG 1.0 -90.0 210.0 CHI1 123 123 A 53 LEU CA A 53 LEU CB A 53 LEU CG A 53 LEU CD1 1.0 30.0 210.0 CHI2 124 124 A 53 LEU CA A 53 LEU CB A 53 LEU CG A 53 LEU CD1 1.0 -210.0 90.0 CHI2 125 125 A 79 LEU N A 79 LEU CA A 79 LEU CB A 79 LEU CG 1.0 -210.0 -30.0 CHI1 126 126 A 79 LEU N A 79 LEU CA A 79 LEU CB A 79 LEU CG 1.0 -90.0 210.0 CHI1 127 127 A 79 LEU CA A 79 LEU CB A 79 LEU CG A 79 LEU CD1 1.0 30.0 210.0 CHI2 128 128 A 79 LEU CA A 79 LEU CB A 79 LEU CG A 79 LEU CD1 1.0 -210.0 90.0 CHI2 129 129 A 10 VAL N A 10 VAL CA A 10 VAL CB A 10 VAL CG1 1.0 150.0 210.0 CHI1 130 130 A 11 ILE N A 11 ILE CA A 11 ILE CB A 11 ILE CG1 1.0 -90.0 -30.0 CHI1 131 131 A 12 MET N A 12 MET CA A 12 MET CB A 12 MET CG 1.0 30.0 90.0 CHI1 132 132 A 13 SER N A 13 SER CA A 13 SER CB A 13 SER OG 1.0 30.0 90.0 CHI1 133 133 A 16 LYS N A 16 LYS CA A 16 LYS CB A 16 LYS CG 1.0 -90.0 -30.0 CHI1 134 134 A 17 LEU N A 17 LEU CA A 17 LEU CB A 17 LEU CG 1.0 -90.0 -30.0 CHI1 135 135 A 18 LYS N A 18 LYS CA A 18 LYS CB A 18 LYS CG 1.0 150.0 210.0 CHI1 136 136 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 -90.0 -30.0 CHI1 137 137 A 23 VAL N A 23 VAL CA A 23 VAL CB A 23 VAL CG1 1.0 30.0 90.0 CHI1 138 138 A 25 LEU N A 25 LEU CA A 25 LEU CB A 25 LEU CG 1.0 -90.0 -30.0 CHI1 139 139 A 26 PRO N A 26 PRO CA A 26 PRO CB A 26 PRO CG 1.0 -45.0 -15.0 CHI1 140 140 A 27 PRO N A 27 PRO CA A 27 PRO CB A 27 PRO CG 1.0 -45.0 -15.0 CHI1 141 141 A 28 ASP N A 28 ASP CA A 28 ASP CB A 28 ASP CG 1.0 30.0 90.0 CHI1 142 142 A 29 PHE N A 29 PHE CA A 29 PHE CB A 29 PHE CG 1.0 -90.0 -30.0 CHI1 143 143 A 32 VAL N A 32 VAL CA A 32 VAL CB A 32 VAL CG1 1.0 150.0 210.0 CHI1 144 144 A 33 ILE N A 33 ILE CA A 33 ILE CB A 33 ILE CG1 1.0 -90.0 -30.0 CHI1 145 145 A 35 ILE N A 35 ILE CA A 35 ILE CB A 35 ILE CG1 1.0 -90.0 -30.0 CHI1 146 146 A 37 LEU N A 37 LEU CA A 37 LEU CB A 37 LEU CG 1.0 -90.0 -30.0 CHI1 147 147 A 40 LYS N A 40 LYS CA A 40 LYS CB A 40 LYS CG 1.0 -90.0 -30.0 CHI1 148 148 A 41 THR N A 41 THR CA A 41 THR CB A 41 THR OG1 1.0 -90.0 -30.0 CHI1 149 149 A 42 VAL N A 42 VAL CA A 42 VAL CB A 42 VAL CG1 1.0 -90.0 -30.0 CHI1 150 150 A 44 THR N A 44 THR CA A 44 THR CB A 44 THR OG1 1.0 -90.0 -30.0 CHI1 151 151 A 46 ASP N A 46 ASP CA A 46 ASP CB A 46 ASP CG 1.0 -90.0 -30.0 CHI1 152 152 A 47 VAL N A 47 VAL CA A 47 VAL CB A 47 VAL CG1 1.0 150.0 210.0 CHI1 153 153 A 48 ILE N A 48 ILE CA A 48 ILE CB A 48 ILE CG1 1.0 30.0 90.0 CHI1 154 154 A 48 ILE CA A 48 ILE CB A 48 ILE CG1 A 48 ILE CD1 1.0 30.0 90.0 CHI2 155 155 A 50 ILE N A 50 ILE CA A 50 ILE CB A 50 ILE CG1 1.0 -90.0 -30.0 CHI1 156 156 A 52 ILE N A 52 ILE CA A 52 ILE CB A 52 ILE CG1 1.0 -90.0 -30.0 CHI1 157 157 A 57 VAL N A 57 VAL CA A 57 VAL CB A 57 VAL CG1 1.0 30.0 90.0 CHI1 158 158 A 58 LYS N A 58 LYS CA A 58 LYS CB A 58 LYS CG 1.0 -90.0 -30.0 CHI1 159 159 A 59 PHE N A 59 PHE CA A 59 PHE CB A 59 PHE CG 1.0 -90.0 -30.0 CHI1 160 160 A 60 LYS N A 60 LYS CA A 60 LYS CB A 60 LYS CG 1.0 150.0 210.0 CHI1 161 161 A 61 VAL N A 61 VAL CA A 61 VAL CB A 61 VAL CG1 1.0 150.0 210.0 CHI1 162 162 A 62 VAL N A 62 VAL CA A 62 VAL CB A 62 VAL CG1 1.0 150.0 210.0 CHI1 163 163 A 65 TYR N A 65 TYR CA A 65 TYR CB A 65 TYR CG 1.0 -90.0 -30.0 CHI1 164 164 A 66 PRO N A 66 PRO CA A 66 PRO CB A 66 PRO CG 1.0 15.0 45.0 CHI1 165 165 A 67 SER N A 67 SER CA A 67 SER CB A 67 SER OG 1.0 -90.0 -30.0 CHI1 166 166 A 68 PRO N A 68 PRO CA A 68 PRO CB A 68 PRO CG 1.0 15.0 45.0 CHI1 167 167 A 69 LEU N A 69 LEU CA A 69 LEU CB A 69 LEU CG 1.0 30.0 90.0 CHI1 168 168 A 69 LEU CA A 69 LEU CB A 69 LEU CG A 69 LEU CD1 1.0 20.0 100.0 CHI2 169 169 A 70 ARG N A 70 ARG CA A 70 ARG CB A 70 ARG CG 1.0 -90.0 -30.0 CHI1 170 170 A 71 VAL N A 71 VAL CA A 71 VAL CB A 71 VAL CG1 1.0 150.0 210.0 CHI1 171 171 A 75 THR N A 75 THR CA A 75 THR CB A 75 THR OG1 1.0 -90.0 -30.0 CHI1 172 172 A 77 ILE N A 77 ILE CA A 77 ILE CB A 77 ILE CG1 1.0 -90.0 -30.0 CHI1 173 173 A 78 THR N A 78 THR CA A 78 THR CB A 78 THR OG1 1.0 -90.0 -30.0 CHI1 174 174 A 80 VAL N A 80 VAL CA A 80 VAL CB A 80 VAL CG1 1.0 150.0 210.0 CHI1 175 175 A 81 THR N A 81 THR CA A 81 THR CB A 81 THR OG1 1.0 30.0 90.0 CHI1 176 176 A 17 LEU CA A 17 LEU CB A 17 LEU CG A 17 LEU CD1 1.0 150.0 210.0 CHI2 177 177 A 20 LEU CA A 20 LEU CB A 20 LEU CG A 20 LEU CD1 1.0 150.0 210.0 CHI2 178 178 A 26 PRO CA A 26 PRO CB A 26 PRO CG A 26 PRO CD 1.0 35.0 55.0 CHI2 179 179 A 27 PRO CA A 27 PRO CB A 27 PRO CG A 27 PRO CD 1.0 35.0 55.0 CHI2 180 180 A 25 LEU CA A 25 LEU CB A 25 LEU CG A 25 LEU CD1 1.0 150.0 210.0 CHI2 181 181 A 33 ILE CA A 33 ILE CB A 33 ILE CG1 A 33 ILE CD1 1.0 -90.0 -30.0 CHI2 182 182 A 35 ILE CA A 35 ILE CB A 35 ILE CG1 A 35 ILE CD1 1.0 150.0 210.0 CHI2 183 183 A 37 LEU CA A 37 LEU CB A 37 LEU CG A 37 LEU CD1 1.0 150.0 210.0 CHI2 184 184 A 50 ILE CA A 50 ILE CB A 50 ILE CG1 A 50 ILE CD1 1.0 150.0 210.0 CHI2 185 185 A 66 PRO CA A 66 PRO CB A 66 PRO CG A 66 PRO CD 1.0 -55.0 -35.0 CHI2 186 186 A 68 PRO CA A 68 PRO CB A 68 PRO CG A 68 PRO CD 1.0 -55.0 -35.0 CHI2 stop_ save_