data_nef_c15816_2k4z 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 -20 MET start . . 2 A -19 GLY middle . false 3 A -18 SER middle . . 4 A -17 SER middle . . 5 A -16 HIS middle . . 6 A -15 HIS middle . . 7 A -14 HIS middle . . 8 A -13 HIS middle . . 9 A -12 HIS middle . . 10 A -11 HIS middle . . 11 A -10 SER middle . . 12 A -9 SER middle . . 13 A -8 GLY middle . false 14 A -7 LEU middle . . 15 A -6 VAL middle . . 16 A -5 PRO middle . false 17 A -4 ARG middle . . 18 A -3 GLY middle . false 19 A -2 SER middle . . 20 A -1 HIS middle . . 21 A 0 MET middle . . 22 A 1 MET middle . . 23 A 2 PHE middle . . 24 A 3 LYS middle . . 25 A 4 LEU middle . . 26 A 5 THR middle . . 27 A 6 PRO middle . false 28 A 7 ALA middle . . 29 A 8 ALA middle . . 30 A 9 ALA middle . . 31 A 10 GLU middle . . 32 A 11 GLN middle . . 33 A 12 VAL middle . . 34 A 13 LEU middle . . 35 A 14 LYS middle . . 36 A 15 ALA middle . . 37 A 16 ALA middle . . 38 A 17 LYS middle . . 39 A 18 GLN middle . . 40 A 19 GLY middle . false 41 A 20 GLY middle . false 42 A 21 THR middle . . 43 A 22 GLU middle . . 44 A 23 GLY middle . false 45 A 24 MET middle . . 46 A 25 CYS middle . . 47 A 26 LEU middle . . 48 A 27 ARG middle . . 49 A 28 LEU middle . . 50 A 29 ALA middle . . 51 A 30 ALA middle . . 52 A 31 GLY middle . false 53 A 32 ARG middle . . 54 A 33 ASN middle . . 55 A 34 PRO middle . false 56 A 35 ASP middle . . 57 A 36 GLY middle . false 58 A 37 SER middle . . 59 A 38 ILE middle . . 60 A 39 ASP middle . . 61 A 40 TYR middle . . 62 A 41 ARG middle . . 63 A 42 MET middle . . 64 A 43 GLY middle . false 65 A 44 PHE middle . . 66 A 45 ASP middle . . 67 A 46 ASP middle . . 68 A 47 LEU middle . . 69 A 48 THR middle . . 70 A 49 GLU middle . . 71 A 50 ASP middle . . 72 A 51 ASP middle . . 73 A 52 ILE middle . . 74 A 53 ARG middle . . 75 A 54 LEU middle . . 76 A 55 THR middle . . 77 A 56 SER middle . . 78 A 57 GLU middle . . 79 A 58 GLY middle . false 80 A 59 VAL middle . . 81 A 60 GLU middle . . 82 A 61 ILE middle . . 83 A 62 VAL middle . . 84 A 63 ILE middle . . 85 A 64 ALA middle . . 86 A 65 PRO middle . false 87 A 66 ASP middle . . 88 A 67 TYR middle . . 89 A 68 VAL middle . . 90 A 69 SER middle . . 91 A 70 LEU middle . . 92 A 71 LEU middle . . 93 A 72 ASP middle . . 94 A 73 GLN middle . . 95 A 74 THR middle . . 96 A 75 THR middle . . 97 A 76 LEU middle . . 98 A 77 ASP middle . . 99 A 78 TYR middle . . 100 A 79 VAL middle . . 101 A 80 GLU middle . . 102 A 81 LEU middle . . 103 A 82 GLU middle . . 104 A 83 PRO middle . false 105 A 84 GLY middle . false 106 A 85 GLN middle . . 107 A 86 PHE middle . . 108 A 87 HIS middle . . 109 A 88 PHE middle . . 110 A 89 ILE middle . . 111 A 90 PHE middle . . 112 A 91 LEU middle . . 113 A 92 ASN middle . . 114 A 93 PRO middle . false 115 A 94 ARG middle . . 116 A 95 ASP middle . . 117 A 96 PRO middle . false 118 A 97 THR middle . . 119 A 98 TYR middle . . 120 A 99 ARG middle . . 121 A 100 PRO middle . false 122 A 101 PRO middle . false 123 A 102 SER middle . . 124 A 103 GLY middle . false 125 A 104 GLY 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 0 MET H H 1 8.09 0.02 A 0 MET HA H 1 4.43 0.02 A 0 MET HBx H 1 1.97 0.02 A 0 MET HBy H 1 2.03 0.02 A 0 MET HE% H 1 1.96 0.02 A 0 MET HGx H 1 2.39 0.02 A 0 MET HGy H 1 2.50 0.02 A 0 MET C C 13 174.4 0.2 A 0 MET CA C 13 55.7 0.2 A 0 MET CB C 13 33.0 0.2 A 0 MET CE C 13 17.9 0.2 A 0 MET CG C 13 31.9 0.2 A 1 MET H H 1 8.96 0.02 A 1 MET HA H 1 4.75 0.02 A 1 MET HBx H 1 2.03 0.02 A 1 MET HBy H 1 2.05 0.02 A 1 MET HE% H 1 2.04 0.02 A 1 MET HGx H 1 2.56 0.02 A 1 MET HGy H 1 2.60 0.02 A 1 MET C C 13 174.4 0.2 A 1 MET CA C 13 55.1 0.2 A 1 MET CB C 13 33.6 0.2 A 1 MET CE C 13 17.1 0.2 A 1 MET CG C 13 31.9 0.2 A 1 MET N N 15 123.9 0.2 A 2 PHE H H 1 7.65 0.02 A 2 PHE HA H 1 4.95 0.02 A 2 PHE HBx H 1 2.61 0.02 A 2 PHE HBy H 1 3.05 0.02 A 2 PHE HDx H 1 7.13 0.02 A 2 PHE HEx H 1 7.02 0.02 A 2 PHE HZ H 1 6.90 0.02 A 2 PHE C C 13 173.2 0.2 A 2 PHE CA C 13 58.2 0.2 A 2 PHE CB C 13 42.5 0.2 A 2 PHE CDx C 13 131.9 0.2 A 2 PHE CEx C 13 130.1 0.2 A 2 PHE CZ C 13 129.2 0.2 A 2 PHE N N 15 123.5 0.2 A 3 LYS H H 1 7.16 0.02 A 3 LYS HA H 1 4.54 0.02 A 3 LYS HBx H 1 1.59 0.02 A 3 LYS HBy H 1 1.66 0.02 A 3 LYS HDx H 1 1.52 0.02 A 3 LYS HDy H 1 1.54 0.02 A 3 LYS HEx H 1 2.83 0.02 A 3 LYS HEy H 1 2.85 0.02 A 3 LYS HGx H 1 1.05 0.02 A 3 LYS HGy H 1 1.18 0.02 A 3 LYS C C 13 172.9 0.2 A 3 LYS CA C 13 54.5 0.2 A 3 LYS CB C 13 36.3 0.2 A 3 LYS CD C 13 29.3 0.2 A 3 LYS CE C 13 42.3 0.2 A 3 LYS CG C 13 24.3 0.2 A 3 LYS N N 15 124.3 0.2 A 4 LEU H H 1 8.29 0.02 A 4 LEU HA H 1 5.07 0.02 A 4 LEU HBx H 1 1.36 0.02 A 4 LEU HBy H 1 1.74 0.02 A 4 LEU HD1% H 1 0.94 0.02 A 4 LEU HD2% H 1 0.82 0.02 A 4 LEU HG H 1 1.72 0.02 A 4 LEU C C 13 177.2 0.2 A 4 LEU CA C 13 53.5 0.2 A 4 LEU CB C 13 44.1 0.2 A 4 LEU CD1 C 13 26.2 0.2 A 4 LEU CD2 C 13 26.3 0.2 A 4 LEU CG C 13 29.1 0.2 A 4 LEU N N 15 121.1 0.2 A 5 THR H H 1 8.21 0.02 A 5 THR HA H 1 4.63 0.02 A 5 THR HB H 1 4.78 0.02 A 5 THR HG1 H 1 5.75 0.02 A 5 THR HG2% H 1 1.13 0.02 A 5 THR CA C 13 60.1 0.2 A 5 THR CB C 13 67.9 0.2 A 5 THR CG2 C 13 21.7 0.2 A 5 THR N N 15 110.5 0.2 A 6 PRO HA H 1 4.14 0.02 A 6 PRO HBx H 1 1.96 0.02 A 6 PRO HBy H 1 2.42 0.02 A 6 PRO HDx H 1 3.83 0.02 A 6 PRO HDy H 1 3.96 0.02 A 6 PRO HGx H 1 2.01 0.02 A 6 PRO HGy H 1 2.22 0.02 A 6 PRO C C 13 179.0 0.2 A 6 PRO CA C 13 66.4 0.2 A 6 PRO CB C 13 31.8 0.2 A 6 PRO CD C 13 50.2 0.2 A 6 PRO CG C 13 27.9 0.2 A 7 ALA H H 1 8.49 0.02 A 7 ALA HA H 1 4.25 0.02 A 7 ALA HB% H 1 1.69 0.02 A 7 ALA C C 13 180.9 0.2 A 7 ALA CA C 13 55.0 0.2 A 7 ALA CB C 13 19.4 0.2 A 7 ALA N N 15 118.5 0.2 A 8 ALA H H 1 7.82 0.02 A 8 ALA HA H 1 3.98 0.02 A 8 ALA HB% H 1 1.46 0.02 A 8 ALA C C 13 178.9 0.2 A 8 ALA CA C 13 55.0 0.2 A 8 ALA CB C 13 19.0 0.2 A 8 ALA N N 15 120.4 0.2 A 9 ALA H H 1 8.78 0.02 A 9 ALA HA H 1 3.84 0.02 A 9 ALA HB% H 1 1.57 0.02 A 9 ALA C C 13 178.5 0.2 A 9 ALA CA C 13 55.5 0.2 A 9 ALA CB C 13 19.4 0.2 A 9 ALA N N 15 121.0 0.2 A 10 GLU H H 1 8.14 0.02 A 10 GLU HA H 1 3.94 0.02 A 10 GLU HBx H 1 2.01 0.02 A 10 GLU HBy H 1 2.13 0.02 A 10 GLU HGx H 1 2.11 0.02 A 10 GLU HGy H 1 2.30 0.02 A 10 GLU C C 13 179.2 0.2 A 10 GLU CA C 13 59.2 0.2 A 10 GLU CB C 13 29.7 0.2 A 10 GLU CG C 13 36.2 0.2 A 10 GLU N N 15 115.6 0.2 A 11 GLN H H 1 7.06 0.02 A 11 GLN HA H 1 3.91 0.02 A 11 GLN HBx H 1 1.37 0.02 A 11 GLN HBy H 1 1.46 0.02 A 11 GLN HE2x H 1 6.59 0.02 A 11 GLN HE2y H 1 7.33 0.02 A 11 GLN HGx H 1 1.07 0.02 A 11 GLN HGy H 1 1.31 0.02 A 11 GLN C C 13 173.8 0.2 A 11 GLN CA C 13 57.4 0.2 A 11 GLN CB C 13 26.6 0.2 A 11 GLN CD C 13 178.4 0.2 A 11 GLN CG C 13 31.7 0.2 A 11 GLN N N 15 117.3 0.2 A 11 GLN NE2 N 15 111.0 0.2 A 12 VAL H H 1 8.57 0.02 A 12 VAL HA H 1 3.67 0.02 A 12 VAL HB H 1 2.24 0.02 A 12 VAL HG1% H 1 1.07 0.02 A 12 VAL HG2% H 1 0.93 0.02 A 12 VAL C C 13 177.7 0.2 A 12 VAL CA C 13 67.3 0.2 A 12 VAL CB C 13 31.6 0.2 A 12 VAL CG1 C 13 22.7 0.2 A 12 VAL CG2 C 13 23.1 0.2 A 12 VAL N N 15 122.1 0.2 A 13 LEU H H 1 8.39 0.02 A 13 LEU HA H 1 4.11 0.02 A 13 LEU HBx H 1 1.45 0.02 A 13 LEU HBy H 1 1.87 0.02 A 13 LEU HD1% H 1 0.87 0.02 A 13 LEU HD2% H 1 0.92 0.02 A 13 LEU HG H 1 1.82 0.02 A 13 LEU C C 13 180.5 0.2 A 13 LEU CA C 13 58.1 0.2 A 13 LEU CB C 13 41.1 0.2 A 13 LEU CD1 C 13 25.3 0.2 A 13 LEU CD2 C 13 22.3 0.2 A 13 LEU CG C 13 27.0 0.2 A 13 LEU N N 15 118.5 0.2 A 14 LYS H H 1 7.82 0.02 A 14 LYS HA H 1 4.00 0.02 A 14 LYS HBx H 1 1.81 0.02 A 14 LYS HBy H 1 1.87 0.02 A 14 LYS HDx H 1 1.55 0.02 A 14 LYS HDy H 1 1.57 0.02 A 14 LYS HEx H 1 2.85 0.02 A 14 LYS HEy H 1 2.87 0.02 A 14 LYS HGx H 1 1.30 0.02 A 14 LYS HGy H 1 1.53 0.02 A 14 LYS C C 13 179.0 0.2 A 14 LYS CA C 13 59.8 0.2 A 14 LYS CB C 13 32.6 0.2 A 14 LYS CD C 13 29.5 0.2 A 14 LYS CE C 13 42.1 0.2 A 14 LYS CG C 13 25.1 0.2 A 14 LYS N N 15 121.1 0.2 A 15 ALA H H 1 8.50 0.02 A 15 ALA HA H 1 4.16 0.02 A 15 ALA HB% H 1 1.71 0.02 A 15 ALA C C 13 181.3 0.2 A 15 ALA CA C 13 54.8 0.2 A 15 ALA CB C 13 18.0 0.2 A 15 ALA N N 15 123.2 0.2 A 16 ALA H H 1 8.56 0.02 A 16 ALA HA H 1 3.49 0.02 A 16 ALA HB% H 1 1.10 0.02 A 16 ALA C C 13 179.3 0.2 A 16 ALA CA C 13 53.9 0.2 A 16 ALA CB C 13 17.9 0.2 A 16 ALA N N 15 122.7 0.2 A 17 LYS H H 1 7.50 0.02 A 17 LYS HA H 1 3.99 0.02 A 17 LYS HBx H 1 1.87 0.02 A 17 LYS HBy H 1 1.94 0.02 A 17 LYS HDx H 1 1.64 0.02 A 17 LYS HDy H 1 1.66 0.02 A 17 LYS HEx H 1 2.94 0.02 A 17 LYS HEy H 1 2.96 0.02 A 17 LYS HGx H 1 1.40 0.02 A 17 LYS HGy H 1 1.51 0.02 A 17 LYS C C 13 179.7 0.2 A 17 LYS CA C 13 58.8 0.2 A 17 LYS CB C 13 32.2 0.2 A 17 LYS CD C 13 29.2 0.2 A 17 LYS CE C 13 42.0 0.2 A 17 LYS CG C 13 24.8 0.2 A 17 LYS N N 15 117.3 0.2 A 18 GLN H H 1 8.21 0.02 A 18 GLN HA H 1 4.07 0.02 A 18 GLN HBx H 1 2.08 0.02 A 18 GLN HBy H 1 2.12 0.02 A 18 GLN HE2x H 1 6.87 0.02 A 18 GLN HE2y H 1 7.48 0.02 A 18 GLN HGx H 1 2.41 0.02 A 18 GLN HGy H 1 2.50 0.02 A 18 GLN C C 13 177.8 0.2 A 18 GLN CA C 13 58.1 0.2 A 18 GLN CB C 13 28.7 0.2 A 18 GLN CD C 13 180.1 0.2 A 18 GLN CG C 13 33.9 0.2 A 18 GLN N N 15 118.3 0.2 A 18 GLN NE2 N 15 111.6 0.2 A 19 GLY H H 1 7.98 0.02 A 19 GLY HAx H 1 3.87 0.02 A 19 GLY HAy H 1 4.23 0.02 A 19 GLY C C 13 174.7 0.2 A 19 GLY CA C 13 45.0 0.2 A 19 GLY N N 15 104.5 0.2 A 20 GLY H H 1 7.65 0.02 A 20 GLY HAx H 1 4.01 0.02 A 20 GLY HAy H 1 4.13 0.02 A 20 GLY C C 13 175.7 0.2 A 20 GLY CA C 13 46.6 0.2 A 20 GLY N N 15 108.9 0.2 A 21 THR H H 1 8.27 0.02 A 21 THR HA H 1 4.40 0.02 A 21 THR HB H 1 4.19 0.02 A 21 THR HG2% H 1 0.88 0.02 A 21 THR C C 13 174.8 0.2 A 21 THR CA C 13 59.6 0.2 A 21 THR CB C 13 68.7 0.2 A 21 THR CG2 C 13 20.6 0.2 A 21 THR N N 15 110.2 0.2 A 22 GLU H H 1 8.45 0.02 A 22 GLU HA H 1 3.89 0.02 A 22 GLU HBx H 1 1.87 0.02 A 22 GLU HBy H 1 1.93 0.02 A 22 GLU HGx H 1 2.12 0.02 A 22 GLU HGy H 1 2.15 0.02 A 22 GLU C C 13 177.3 0.2 A 22 GLU CA C 13 58.6 0.2 A 22 GLU CB C 13 29.6 0.2 A 22 GLU CG C 13 36.8 0.2 A 22 GLU N N 15 122.7 0.2 A 23 GLY H H 1 8.88 0.02 A 23 GLY HAx H 1 3.83 0.02 A 23 GLY HAy H 1 4.04 0.02 A 23 GLY C C 13 174.6 0.2 A 23 GLY CA C 13 45.0 0.2 A 23 GLY N N 15 111.2 0.2 A 24 MET H H 1 7.64 0.02 A 24 MET HA H 1 4.64 0.02 A 24 MET HBx H 1 2.01 0.02 A 24 MET HBy H 1 2.21 0.02 A 24 MET HE% H 1 1.99 0.02 A 24 MET HGx H 1 2.39 0.02 A 24 MET HGy H 1 2.42 0.02 A 24 MET C C 13 175.7 0.2 A 24 MET CA C 13 55.8 0.2 A 24 MET CB C 13 34.4 0.2 A 24 MET CE C 13 17.1 0.2 A 24 MET CG C 13 33.2 0.2 A 24 MET N N 15 118.8 0.2 A 25 CYS H H 1 8.38 0.02 A 25 CYS HA H 1 4.64 0.02 A 25 CYS HBx H 1 2.57 0.02 A 25 CYS HBy H 1 2.70 0.02 A 25 CYS C C 13 173.0 0.2 A 25 CYS CA C 13 58.2 0.2 A 25 CYS CB C 13 30.3 0.2 A 25 CYS N N 15 118.4 0.2 A 26 LEU H H 1 9.02 0.02 A 26 LEU HA H 1 4.29 0.02 A 26 LEU HBx H 1 0.88 0.02 A 26 LEU HBy H 1 1.91 0.02 A 26 LEU HD1% H 1 0.21 0.02 A 26 LEU HD2% H 1 0.64 0.02 A 26 LEU HG H 1 1.08 0.02 A 26 LEU C C 13 173.6 0.2 A 26 LEU CA C 13 54.2 0.2 A 26 LEU CB C 13 43.0 0.2 A 26 LEU CD1 C 13 22.6 0.2 A 26 LEU CD2 C 13 26.0 0.2 A 26 LEU CG C 13 27.0 0.2 A 26 LEU N N 15 123.9 0.2 A 27 ARG H H 1 9.17 0.02 A 27 ARG HA H 1 5.28 0.02 A 27 ARG HBx H 1 1.28 0.02 A 27 ARG HBy H 1 1.44 0.02 A 27 ARG HDx H 1 2.75 0.02 A 27 ARG HDy H 1 3.44 0.02 A 27 ARG HE H 1 9.05 0.02 A 27 ARG C C 13 176.0 0.2 A 27 ARG CA C 13 54.4 0.2 A 27 ARG CB C 13 30.8 0.2 A 27 ARG CD C 13 41.4 0.2 A 27 ARG CG C 13 27.6 0.2 A 27 ARG N N 15 129.4 0.2 A 27 ARG NE N 15 80.6 0.2 A 28 LEU H H 1 7.55 0.02 A 28 LEU HA H 1 5.23 0.02 A 28 LEU HBx H 1 1.19 0.02 A 28 LEU HBy H 1 1.29 0.02 A 28 LEU HD1% H 1 0.37 0.02 A 28 LEU HD2% H 1 0.75 0.02 A 28 LEU HG H 1 1.36 0.02 A 28 LEU C C 13 175.6 0.2 A 28 LEU CA C 13 52.0 0.2 A 28 LEU CB C 13 45.7 0.2 A 28 LEU CD1 C 13 26.5 0.2 A 28 LEU CD2 C 13 24.4 0.2 A 28 LEU CG C 13 27.5 0.2 A 28 LEU N N 15 125.7 0.2 A 29 ALA H H 1 8.31 0.02 A 29 ALA HA H 1 3.65 0.02 A 29 ALA HB% H 1 0.54 0.02 A 29 ALA C C 13 173.7 0.2 A 29 ALA CA C 13 50.6 0.2 A 29 ALA CB C 13 22.4 0.2 A 29 ALA N N 15 120.8 0.2 A 30 ALA H H 1 5.77 0.02 A 30 ALA HA H 1 4.91 0.02 A 30 ALA HB% H 1 0.92 0.02 A 30 ALA C C 13 174.9 0.2 A 30 ALA CA C 13 50.9 0.2 A 30 ALA CB C 13 23.1 0.2 A 30 ALA N N 15 117.8 0.2 A 31 GLY H H 1 8.13 0.02 A 31 GLY HAx H 1 3.69 0.02 A 31 GLY HAy H 1 4.24 0.02 A 31 GLY C C 13 171.2 0.2 A 31 GLY CA C 13 44.4 0.2 A 31 GLY N N 15 106.4 0.2 A 32 ARG H H 1 8.60 0.02 A 32 ARG HA H 1 4.70 0.02 A 32 ARG HBx H 1 1.57 0.02 A 32 ARG HBy H 1 1.73 0.02 A 32 ARG HDx H 1 3.06 0.02 A 32 ARG HDy H 1 3.08 0.02 A 32 ARG HGx H 1 1.53 0.02 A 32 ARG HGy H 1 1.58 0.02 A 32 ARG C C 13 176.3 0.2 A 32 ARG CA C 13 55.0 0.2 A 32 ARG CB C 13 31.5 0.2 A 32 ARG CD C 13 43.2 0.2 A 32 ARG CG C 13 27.1 0.2 A 32 ARG N N 15 121.5 0.2 A 33 ASN H H 1 9.06 0.02 A 33 ASN HA H 1 4.94 0.02 A 33 ASN HBx H 1 2.67 0.02 A 33 ASN HBy H 1 2.77 0.02 A 33 ASN HD2x H 1 6.97 0.02 A 33 ASN HD2y H 1 7.63 0.02 A 33 ASN CA C 13 52.1 0.2 A 33 ASN CB C 13 38.0 0.2 A 33 ASN CG C 13 176.6 0.2 A 33 ASN N N 15 125.2 0.2 A 33 ASN ND2 N 15 115.6 0.2 A 34 PRO HA H 1 4.33 0.02 A 34 PRO HBx H 1 1.92 0.02 A 34 PRO HBy H 1 2.40 0.02 A 34 PRO HDx H 1 3.76 0.02 A 34 PRO HDy H 1 3.87 0.02 A 34 PRO HGx H 1 2.01 0.02 A 34 PRO HGy H 1 2.11 0.02 A 34 PRO C C 13 176.7 0.2 A 34 PRO CA C 13 65.6 0.2 A 34 PRO CB C 13 31.7 0.2 A 34 PRO CD C 13 50.7 0.2 A 34 PRO CG C 13 27.6 0.2 A 35 ASP H H 1 7.77 0.02 A 35 ASP HA H 1 4.50 0.02 A 35 ASP HBx H 1 2.63 0.02 A 35 ASP HBy H 1 3.09 0.02 A 35 ASP C C 13 177.0 0.2 A 35 ASP CA C 13 53.4 0.2 A 35 ASP CB C 13 39.7 0.2 A 35 ASP N N 15 113.6 0.2 A 36 GLY H H 1 8.32 0.02 A 36 GLY HAx H 1 3.55 0.02 A 36 GLY HAy H 1 4.42 0.02 A 36 GLY C C 13 174.3 0.2 A 36 GLY CA C 13 45.1 0.2 A 36 GLY N N 15 109.3 0.2 A 37 SER H H 1 8.23 0.02 A 37 SER HA H 1 4.38 0.02 A 37 SER HBx H 1 3.99 0.02 A 37 SER HBy H 1 4.08 0.02 A 37 SER C C 13 172.4 0.2 A 37 SER CA C 13 58.3 0.2 A 37 SER CB C 13 64.6 0.2 A 37 SER N N 15 117.1 0.2 A 38 ILE H H 1 8.29 0.02 A 38 ILE HA H 1 4.38 0.02 A 38 ILE HB H 1 1.45 0.02 A 38 ILE HD1% H 1 0.68 0.02 A 38 ILE HG1x H 1 0.86 0.02 A 38 ILE HG1y H 1 1.44 0.02 A 38 ILE HG2% H 1 -0.11 0.02 A 38 ILE C C 13 174.6 0.2 A 38 ILE CA C 13 59.9 0.2 A 38 ILE CB C 13 39.3 0.2 A 38 ILE CD1 C 13 12.5 0.2 A 38 ILE CG1 C 13 27.9 0.2 A 38 ILE CG2 C 13 17.3 0.2 A 38 ILE N N 15 120.0 0.2 A 39 ASP H H 1 8.47 0.02 A 39 ASP HA H 1 4.77 0.02 A 39 ASP HBx H 1 2.35 0.02 A 39 ASP HBy H 1 2.41 0.02 A 39 ASP C C 13 174.7 0.2 A 39 ASP CA C 13 52.2 0.2 A 39 ASP CB C 13 42.8 0.2 A 39 ASP N N 15 126.8 0.2 A 40 TYR H H 1 8.23 0.02 A 40 TYR HA H 1 4.44 0.02 A 40 TYR HBx H 1 1.66 0.02 A 40 TYR HBy H 1 2.05 0.02 A 40 TYR HDx H 1 6.58 0.02 A 40 TYR HEx H 1 6.57 0.02 A 40 TYR C C 13 174.9 0.2 A 40 TYR CA C 13 58.1 0.2 A 40 TYR CB C 13 40.5 0.2 A 40 TYR CDx C 13 133.2 0.2 A 40 TYR CEx C 13 117.2 0.2 A 40 TYR N N 15 123.0 0.2 A 41 ARG H H 1 8.31 0.02 A 41 ARG HA H 1 4.66 0.02 A 41 ARG HBx H 1 1.27 0.02 A 41 ARG HBy H 1 1.61 0.02 A 41 ARG HDx H 1 2.86 0.02 A 41 ARG HDy H 1 3.00 0.02 A 41 ARG HGx H 1 1.27 0.02 A 41 ARG HGy H 1 1.30 0.02 A 41 ARG C C 13 173.8 0.2 A 41 ARG CA C 13 54.7 0.2 A 41 ARG CB C 13 33.4 0.2 A 41 ARG CD C 13 43.3 0.2 A 41 ARG CG C 13 26.9 0.2 A 41 ARG N N 15 120.9 0.2 A 42 MET H H 1 8.40 0.02 A 42 MET HA H 1 5.43 0.02 A 42 MET HBx H 1 1.66 0.02 A 42 MET HBy H 1 1.83 0.02 A 42 MET HE% H 1 1.04 0.02 A 42 MET HGx H 1 2.15 0.02 A 42 MET HGy H 1 2.30 0.02 A 42 MET C C 13 174.6 0.2 A 42 MET CA C 13 53.7 0.2 A 42 MET CB C 13 38.0 0.2 A 42 MET CE C 13 16.2 0.2 A 42 MET CG C 13 30.5 0.2 A 42 MET N N 15 117.6 0.2 A 43 GLY H H 1 8.05 0.02 A 43 GLY HAx H 1 3.83 0.02 A 43 GLY HAy H 1 3.93 0.02 A 43 GLY C C 13 170.8 0.2 A 43 GLY CA C 13 44.8 0.2 A 43 GLY N N 15 108.7 0.2 A 44 PHE H H 1 8.63 0.02 A 44 PHE HA H 1 5.50 0.02 A 44 PHE HBx H 1 2.81 0.02 A 44 PHE HBy H 1 3.06 0.02 A 44 PHE HDx H 1 7.17 0.02 A 44 PHE HEx H 1 7.16 0.02 A 44 PHE HZ H 1 7.47 0.02 A 44 PHE C C 13 176.2 0.2 A 44 PHE CA C 13 58.2 0.2 A 44 PHE CB C 13 40.3 0.2 A 44 PHE CDx C 13 131.8 0.2 A 44 PHE CEx C 13 131.0 0.2 A 44 PHE CZ C 13 129.8 0.2 A 44 PHE N N 15 119.8 0.2 A 45 ASP H H 1 9.41 0.02 A 45 ASP HA H 1 4.97 0.02 A 45 ASP HBx H 1 2.23 0.02 A 45 ASP HBy H 1 2.60 0.02 A 45 ASP C C 13 174.2 0.2 A 45 ASP CA C 13 53.1 0.2 A 45 ASP CB C 13 45.6 0.2 A 45 ASP N N 15 121.2 0.2 A 46 ASP H H 1 8.01 0.02 A 46 ASP HA H 1 4.91 0.02 A 46 ASP HBx H 1 2.36 0.02 A 46 ASP HBy H 1 2.70 0.02 A 46 ASP C C 13 175.2 0.2 A 46 ASP CA C 13 53.4 0.2 A 46 ASP CB C 13 43.1 0.2 A 46 ASP N N 15 119.5 0.2 A 47 LEU H H 1 8.12 0.02 A 47 LEU HA H 1 4.34 0.02 A 47 LEU HBx H 1 1.67 0.02 A 47 LEU HBy H 1 1.72 0.02 A 47 LEU HD1% H 1 0.75 0.02 A 47 LEU HD2% H 1 0.81 0.02 A 47 LEU HG H 1 1.61 0.02 A 47 LEU C C 13 176.7 0.2 A 47 LEU CA C 13 55.2 0.2 A 47 LEU CB C 13 44.0 0.2 A 47 LEU CD1 C 13 26.4 0.2 A 47 LEU CD2 C 13 25.6 0.2 A 47 LEU CG C 13 26.4 0.2 A 47 LEU N N 15 120.4 0.2 A 48 THR H H 1 9.36 0.02 A 48 THR HA H 1 4.75 0.02 A 48 THR HB H 1 4.39 0.02 A 48 THR HG2% H 1 1.18 0.02 A 48 THR C C 13 175.5 0.2 A 48 THR CA C 13 60.1 0.2 A 48 THR CB C 13 71.7 0.2 A 48 THR CG2 C 13 21.1 0.2 A 48 THR N N 15 117.6 0.2 A 49 GLU H H 1 8.75 0.02 A 49 GLU HA H 1 4.04 0.02 A 49 GLU HBx H 1 1.99 0.02 A 49 GLU HBy H 1 2.05 0.02 A 49 GLU HGx H 1 2.27 0.02 A 49 GLU HGy H 1 2.29 0.02 A 49 GLU C C 13 176.4 0.2 A 49 GLU CA C 13 58.7 0.2 A 49 GLU CB C 13 29.6 0.2 A 49 GLU CG C 13 36.1 0.2 A 49 GLU N N 15 119.7 0.2 A 50 ASP H H 1 7.95 0.02 A 50 ASP HA H 1 4.60 0.02 A 50 ASP HBx H 1 2.53 0.02 A 50 ASP HBy H 1 2.65 0.02 A 50 ASP C C 13 175.9 0.2 A 50 ASP CA C 13 54.4 0.2 A 50 ASP CB C 13 41.6 0.2 A 50 ASP N N 15 115.9 0.2 A 51 ASP H H 1 7.04 0.02 A 51 ASP HA H 1 4.54 0.02 A 51 ASP HBx H 1 2.33 0.02 A 51 ASP HBy H 1 2.57 0.02 A 51 ASP C C 13 177.3 0.2 A 51 ASP CA C 13 56.5 0.2 A 51 ASP CB C 13 42.0 0.2 A 51 ASP N N 15 117.5 0.2 A 52 ILE H H 1 8.83 0.02 A 52 ILE HA H 1 4.11 0.02 A 52 ILE HB H 1 2.12 0.02 A 52 ILE HD1% H 1 0.88 0.02 A 52 ILE HG1x H 1 1.43 0.02 A 52 ILE HG1y H 1 1.45 0.02 A 52 ILE HG2% H 1 0.83 0.02 A 52 ILE C C 13 174.5 0.2 A 52 ILE CA C 13 61.5 0.2 A 52 ILE CB C 13 37.0 0.2 A 52 ILE CD1 C 13 13.5 0.2 A 52 ILE CG1 C 13 30.4 0.2 A 52 ILE CG2 C 13 18.9 0.2 A 52 ILE N N 15 123.5 0.2 A 53 ARG H H 1 8.18 0.02 A 53 ARG HA H 1 5.38 0.02 A 53 ARG HBx H 1 1.60 0.02 A 53 ARG HBy H 1 1.83 0.02 A 53 ARG HDx H 1 3.04 0.02 A 53 ARG HDy H 1 3.19 0.02 A 53 ARG HGx H 1 1.46 0.02 A 53 ARG HGy H 1 1.60 0.02 A 53 ARG C C 13 175.5 0.2 A 53 ARG CA C 13 54.3 0.2 A 53 ARG CB C 13 32.7 0.2 A 53 ARG CD C 13 44.0 0.2 A 53 ARG CG C 13 26.6 0.2 A 53 ARG N N 15 125.9 0.2 A 54 LEU H H 1 8.97 0.02 A 54 LEU HA H 1 4.83 0.02 A 54 LEU HBx H 1 1.58 0.02 A 54 LEU HBy H 1 1.77 0.02 A 54 LEU HD1% H 1 0.88 0.02 A 54 LEU HD2% H 1 0.90 0.02 A 54 LEU HG H 1 1.52 0.02 A 54 LEU C C 13 174.7 0.2 A 54 LEU CA C 13 54.3 0.2 A 54 LEU CB C 13 45.4 0.2 A 54 LEU CD1 C 13 27.1 0.2 A 54 LEU CD2 C 13 25.5 0.2 A 54 LEU CG C 13 26.8 0.2 A 54 LEU N N 15 124.1 0.2 A 55 THR H H 1 8.45 0.02 A 55 THR HA H 1 5.38 0.02 A 55 THR HB H 1 3.89 0.02 A 55 THR HG2% H 1 1.06 0.02 A 55 THR C C 13 174.5 0.2 A 55 THR CA C 13 60.7 0.2 A 55 THR CB C 13 70.6 0.2 A 55 THR CG2 C 13 21.2 0.2 A 55 THR N N 15 115.2 0.2 A 56 SER H H 1 8.78 0.02 A 56 SER HA H 1 4.71 0.02 A 56 SER HBx H 1 3.57 0.02 A 56 SER HBy H 1 3.83 0.02 A 56 SER C C 13 173.8 0.2 A 56 SER CA C 13 57.4 0.2 A 56 SER CB C 13 64.4 0.2 A 56 SER N N 15 120.0 0.2 A 57 GLU H H 1 9.18 0.02 A 57 GLU HA H 1 3.80 0.02 A 57 GLU HBx H 1 1.82 0.02 A 57 GLU HBy H 1 2.14 0.02 A 57 GLU HGx H 1 1.98 0.02 A 57 GLU HGy H 1 2.27 0.02 A 57 GLU C C 13 175.7 0.2 A 57 GLU CA C 13 56.5 0.2 A 57 GLU CB C 13 27.3 0.2 A 57 GLU CG C 13 35.0 0.2 A 57 GLU N N 15 124.7 0.2 A 58 GLY H H 1 8.34 0.02 A 58 GLY HAx H 1 3.52 0.02 A 58 GLY HAy H 1 4.12 0.02 A 58 GLY C C 13 173.8 0.2 A 58 GLY CA C 13 45.1 0.2 A 58 GLY N N 15 101.7 0.2 A 59 VAL H H 1 8.07 0.02 A 59 VAL HA H 1 4.07 0.02 A 59 VAL HB H 1 2.33 0.02 A 59 VAL HG1% H 1 0.91 0.02 A 59 VAL HG2% H 1 0.89 0.02 A 59 VAL C C 13 174.6 0.2 A 59 VAL CA C 13 61.7 0.2 A 59 VAL CB C 13 33.3 0.2 A 59 VAL CG1 C 13 22.4 0.2 A 59 VAL CG2 C 13 22.0 0.2 A 59 VAL N N 15 123.2 0.2 A 60 GLU H H 1 8.55 0.02 A 60 GLU HA H 1 4.77 0.02 A 60 GLU HBx H 1 1.98 0.02 A 60 GLU HBy H 1 2.12 0.02 A 60 GLU HGx H 1 2.19 0.02 A 60 GLU HGy H 1 2.26 0.02 A 60 GLU C C 13 174.7 0.2 A 60 GLU CA C 13 56.0 0.2 A 60 GLU CB C 13 30.8 0.2 A 60 GLU CG C 13 36.1 0.2 A 60 GLU N N 15 127.3 0.2 A 61 ILE H H 1 9.17 0.02 A 61 ILE HA H 1 5.20 0.02 A 61 ILE HB H 1 1.55 0.02 A 61 ILE HD1% H 1 0.85 0.02 A 61 ILE HG1x H 1 1.01 0.02 A 61 ILE HG1y H 1 1.60 0.02 A 61 ILE HG2% H 1 0.62 0.02 A 61 ILE C C 13 175.8 0.2 A 61 ILE CA C 13 59.4 0.2 A 61 ILE CB C 13 41.2 0.2 A 61 ILE CD1 C 13 15.4 0.2 A 61 ILE CG1 C 13 28.6 0.2 A 61 ILE CG2 C 13 18.0 0.2 A 61 ILE N N 15 127.6 0.2 A 62 VAL H H 1 8.73 0.02 A 62 VAL HA H 1 5.48 0.02 A 62 VAL HB H 1 1.81 0.02 A 62 VAL HG1% H 1 0.88 0.02 A 62 VAL HG2% H 1 0.56 0.02 A 62 VAL C C 13 174.3 0.2 A 62 VAL CA C 13 58.2 0.2 A 62 VAL CB C 13 35.2 0.2 A 62 VAL CG1 C 13 24.3 0.2 A 62 VAL CG2 C 13 17.6 0.2 A 62 VAL N N 15 118.1 0.2 A 63 ILE H H 1 8.32 0.02 A 63 ILE HA H 1 4.31 0.02 A 63 ILE HB H 1 1.41 0.02 A 63 ILE HD1% H 1 0.41 0.02 A 63 ILE HG1x H 1 0.72 0.02 A 63 ILE HG1y H 1 1.31 0.02 A 63 ILE HG2% H 1 0.91 0.02 A 63 ILE C C 13 174.6 0.2 A 63 ILE CA C 13 60.1 0.2 A 63 ILE CB C 13 43.4 0.2 A 63 ILE CD1 C 13 14.4 0.2 A 63 ILE CG1 C 13 28.0 0.2 A 63 ILE CG2 C 13 18.4 0.2 A 63 ILE N N 15 120.1 0.2 A 64 ALA H H 1 9.17 0.02 A 64 ALA HA H 1 4.81 0.02 A 64 ALA HB% H 1 1.51 0.02 A 64 ALA CA C 13 51.5 0.2 A 64 ALA CB C 13 17.1 0.2 A 64 ALA N N 15 130.6 0.2 A 65 PRO HA H 1 4.16 0.02 A 65 PRO HBx H 1 1.93 0.02 A 65 PRO HBy H 1 2.29 0.02 A 65 PRO HDx H 1 3.70 0.02 A 65 PRO HDy H 1 3.91 0.02 A 65 PRO HGx H 1 2.08 0.02 A 65 PRO HGy H 1 2.11 0.02 A 65 PRO C C 13 178.0 0.2 A 65 PRO CA C 13 65.5 0.2 A 65 PRO CB C 13 31.9 0.2 A 65 PRO CD C 13 50.3 0.2 A 65 PRO CG C 13 28.0 0.2 A 66 ASP H H 1 8.27 0.02 A 66 ASP HA H 1 4.20 0.02 A 66 ASP HBx H 1 1.38 0.02 A 66 ASP HBy H 1 2.11 0.02 A 66 ASP C C 13 177.2 0.2 A 66 ASP CA C 13 55.8 0.2 A 66 ASP CB C 13 40.0 0.2 A 66 ASP N N 15 113.4 0.2 A 67 TYR H H 1 7.87 0.02 A 67 TYR HA H 1 4.85 0.02 A 67 TYR HBx H 1 2.72 0.02 A 67 TYR HBy H 1 3.32 0.02 A 67 TYR HDx H 1 7.31 0.02 A 67 TYR HEx H 1 7.04 0.02 A 67 TYR C C 13 175.8 0.2 A 67 TYR CA C 13 56.7 0.2 A 67 TYR CB C 13 39.1 0.2 A 67 TYR CDx C 13 133.0 0.2 A 67 TYR CEx C 13 119.4 0.2 A 67 TYR N N 15 114.4 0.2 A 68 VAL H H 1 7.21 0.02 A 68 VAL HA H 1 3.48 0.02 A 68 VAL HB H 1 2.09 0.02 A 68 VAL HG1% H 1 0.99 0.02 A 68 VAL HG2% H 1 1.11 0.02 A 68 VAL C C 13 177.1 0.2 A 68 VAL CA C 13 67.1 0.2 A 68 VAL CB C 13 32.0 0.2 A 68 VAL CG1 C 13 21.0 0.2 A 68 VAL CG2 C 13 23.2 0.2 A 68 VAL N N 15 120.1 0.2 A 69 SER H H 1 8.59 0.02 A 69 SER HA H 1 4.27 0.02 A 69 SER HBx H 1 3.91 0.02 A 69 SER HBy H 1 3.95 0.02 A 69 SER C C 13 176.4 0.2 A 69 SER CA C 13 61.1 0.2 A 69 SER CB C 13 62.3 0.2 A 69 SER N N 15 112.4 0.2 A 70 LEU H H 1 7.33 0.02 A 70 LEU HA H 1 4.32 0.02 A 70 LEU HBx H 1 1.32 0.02 A 70 LEU HBy H 1 1.70 0.02 A 70 LEU HD1% H 1 0.83 0.02 A 70 LEU HD2% H 1 0.74 0.02 A 70 LEU HG H 1 1.68 0.02 A 70 LEU C C 13 177.3 0.2 A 70 LEU CA C 13 56.2 0.2 A 70 LEU CB C 13 43.5 0.2 A 70 LEU CD1 C 13 25.7 0.2 A 70 LEU CD2 C 13 23.5 0.2 A 70 LEU CG C 13 27.4 0.2 A 70 LEU N N 15 119.5 0.2 A 71 LEU H H 1 7.43 0.02 A 71 LEU HA H 1 4.61 0.02 A 71 LEU HBx H 1 1.59 0.02 A 71 LEU HBy H 1 1.64 0.02 A 71 LEU HD1% H 1 0.63 0.02 A 71 LEU HD2% H 1 0.95 0.02 A 71 LEU HG H 1 1.52 0.02 A 71 LEU C C 13 177.3 0.2 A 71 LEU CA C 13 54.7 0.2 A 71 LEU CB C 13 43.9 0.2 A 71 LEU CD1 C 13 26.8 0.2 A 71 LEU CD2 C 13 23.7 0.2 A 71 LEU CG C 13 28.0 0.2 A 71 LEU N N 15 117.2 0.2 A 72 ASP H H 1 7.85 0.02 A 72 ASP HA H 1 4.62 0.02 A 72 ASP HBx H 1 2.63 0.02 A 72 ASP HBy H 1 3.00 0.02 A 72 ASP C C 13 176.7 0.2 A 72 ASP CA C 13 56.6 0.2 A 72 ASP CB C 13 41.1 0.2 A 72 ASP N N 15 120.8 0.2 A 73 GLN H H 1 9.27 0.02 A 73 GLN HA H 1 3.86 0.02 A 73 GLN HBx H 1 2.28 0.02 A 73 GLN HBy H 1 2.37 0.02 A 73 GLN HE2x H 1 6.78 0.02 A 73 GLN HE2y H 1 7.70 0.02 A 73 GLN HGx H 1 2.25 0.02 A 73 GLN HGy H 1 2.34 0.02 A 73 GLN C C 13 174.9 0.2 A 73 GLN CA C 13 57.2 0.2 A 73 GLN CB C 13 26.5 0.2 A 73 GLN CD C 13 180.7 0.2 A 73 GLN CG C 13 34.3 0.2 A 73 GLN N N 15 118.5 0.2 A 73 GLN NE2 N 15 113.2 0.2 A 74 THR H H 1 7.72 0.02 A 74 THR HA H 1 4.92 0.02 A 74 THR HB H 1 4.44 0.02 A 74 THR HG2% H 1 1.24 0.02 A 74 THR C C 13 172.8 0.2 A 74 THR CA C 13 63.2 0.2 A 74 THR CB C 13 69.7 0.2 A 74 THR CG2 C 13 22.4 0.2 A 74 THR N N 15 115.6 0.2 A 75 THR H H 1 8.44 0.02 A 75 THR HA H 1 4.80 0.02 A 75 THR HB H 1 3.82 0.02 A 75 THR HG2% H 1 0.85 0.02 A 75 THR C C 13 172.0 0.2 A 75 THR CA C 13 60.8 0.2 A 75 THR CB C 13 71.2 0.2 A 75 THR CG2 C 13 21.0 0.2 A 75 THR N N 15 121.1 0.2 A 76 LEU H H 1 8.68 0.02 A 76 LEU HA H 1 4.70 0.02 A 76 LEU HBx H 1 0.94 0.02 A 76 LEU HBy H 1 1.81 0.02 A 76 LEU HD1% H 1 -0.04 0.02 A 76 LEU HD2% H 1 0.50 0.02 A 76 LEU HG H 1 1.18 0.02 A 76 LEU C C 13 172.3 0.2 A 76 LEU CA C 13 53.4 0.2 A 76 LEU CB C 13 44.0 0.2 A 76 LEU CD1 C 13 22.1 0.2 A 76 LEU CD2 C 13 25.1 0.2 A 76 LEU CG C 13 26.8 0.2 A 76 LEU N N 15 130.0 0.2 A 77 ASP H H 1 9.01 0.02 A 77 ASP HA H 1 5.48 0.02 A 77 ASP HBx H 1 2.21 0.02 A 77 ASP HBy H 1 2.58 0.02 A 77 ASP C C 13 174.2 0.2 A 77 ASP CA C 13 50.1 0.2 A 77 ASP CB C 13 46.1 0.2 A 77 ASP N N 15 126.7 0.2 A 78 TYR H H 1 9.06 0.02 A 78 TYR HA H 1 5.06 0.02 A 78 TYR HBx H 1 2.19 0.02 A 78 TYR HBy H 1 2.32 0.02 A 78 TYR HDx H 1 5.88 0.02 A 78 TYR HEx H 1 5.97 0.02 A 78 TYR C C 13 173.9 0.2 A 78 TYR CA C 13 57.5 0.2 A 78 TYR CB C 13 41.0 0.2 A 78 TYR CDx C 13 132.8 0.2 A 78 TYR CEx C 13 117.3 0.2 A 78 TYR N N 15 125.9 0.2 A 79 VAL H H 1 8.24 0.02 A 79 VAL HA H 1 4.42 0.02 A 79 VAL HB H 1 1.86 0.02 A 79 VAL HG1% H 1 0.70 0.02 A 79 VAL HG2% H 1 0.64 0.02 A 79 VAL C C 13 173.4 0.2 A 79 VAL CA C 13 59.3 0.2 A 79 VAL CB C 13 36.8 0.2 A 79 VAL CG1 C 13 21.6 0.2 A 79 VAL CG2 C 13 19.4 0.2 A 79 VAL N N 15 119.7 0.2 A 80 GLU H H 1 8.25 0.02 A 80 GLU HA H 1 3.55 0.02 A 80 GLU HBx H 1 0.86 0.02 A 80 GLU HBy H 1 1.61 0.02 A 80 GLU HGx H 1 0.84 0.02 A 80 GLU HGy H 1 1.58 0.02 A 80 GLU C C 13 175.8 0.2 A 80 GLU CA C 13 54.8 0.2 A 80 GLU CB C 13 29.2 0.2 A 80 GLU CG C 13 36.2 0.2 A 80 GLU N N 15 125.5 0.2 A 81 LEU H H 1 8.06 0.02 A 81 LEU HA H 1 4.12 0.02 A 81 LEU HBx H 1 1.39 0.02 A 81 LEU HBy H 1 1.46 0.02 A 81 LEU HD1% H 1 0.57 0.02 A 81 LEU HD2% H 1 0.61 0.02 A 81 LEU HG H 1 1.43 0.02 A 81 LEU C C 13 176.9 0.2 A 81 LEU CA C 13 56.4 0.2 A 81 LEU CB C 13 42.8 0.2 A 81 LEU CD1 C 13 24.6 0.2 A 81 LEU CD2 C 13 23.5 0.2 A 81 LEU N N 15 129.9 0.2 A 82 GLU H H 1 7.77 0.02 A 82 GLU HA H 1 4.50 0.02 A 82 GLU HBx H 1 1.57 0.02 A 82 GLU HBy H 1 2.03 0.02 A 82 GLU HGx H 1 2.08 0.02 A 82 GLU HGy H 1 2.15 0.02 A 82 GLU CA C 13 53.8 0.2 A 82 GLU CB C 13 30.3 0.2 A 82 GLU CG C 13 36.1 0.2 A 82 GLU N N 15 117.3 0.2 A 83 PRO HA H 1 4.08 0.02 A 83 PRO HBx H 1 1.82 0.02 A 83 PRO HBy H 1 2.19 0.02 A 83 PRO HDx H 1 3.51 0.02 A 83 PRO HDy H 1 3.69 0.02 A 83 PRO C C 13 178.6 0.2 A 83 PRO CA C 13 64.9 0.2 A 83 PRO CB C 13 30.9 0.2 A 83 PRO CD C 13 49.7 0.2 A 83 PRO CG C 13 27.7 0.2 A 84 GLY H H 1 10.35 0.02 A 84 GLY HAx H 1 3.72 0.02 A 84 GLY HAy H 1 4.16 0.02 A 84 GLY C C 13 178.3 0.2 A 84 GLY CA C 13 45.6 0.2 A 84 GLY N N 15 115.6 0.2 A 85 GLN H H 1 8.56 0.02 A 85 GLN HA H 1 4.62 0.02 A 85 GLN HBx H 1 1.87 0.02 A 85 GLN HBy H 1 1.99 0.02 A 85 GLN HE2x H 1 6.81 0.02 A 85 GLN HE2y H 1 7.53 0.02 A 85 GLN HGx H 1 2.09 0.02 A 85 GLN HGy H 1 2.22 0.02 A 85 GLN C C 13 173.0 0.2 A 85 GLN CA C 13 54.1 0.2 A 85 GLN CB C 13 29.6 0.2 A 85 GLN CD C 13 180.3 0.2 A 85 GLN CG C 13 32.8 0.2 A 85 GLN N N 15 122.2 0.2 A 85 GLN NE2 N 15 112.8 0.2 A 86 PHE H H 1 8.42 0.02 A 86 PHE HA H 1 4.90 0.02 A 86 PHE HBx H 1 1.57 0.02 A 86 PHE HBy H 1 2.56 0.02 A 86 PHE HDx H 1 6.58 0.02 A 86 PHE HEx H 1 7.15 0.02 A 86 PHE C C 13 175.9 0.2 A 86 PHE CA C 13 56.3 0.2 A 86 PHE CB C 13 40.3 0.2 A 86 PHE CDx C 13 131.7 0.2 A 86 PHE CEx C 13 131.0 0.2 A 86 PHE N N 15 124.1 0.2 A 87 HIS H H 1 8.61 0.02 A 87 HIS HA H 1 4.77 0.02 A 87 HIS HBx H 1 2.65 0.02 A 87 HIS HBy H 1 3.14 0.02 A 87 HIS HD2 H 1 6.71 0.02 A 87 HIS C C 13 174.8 0.2 A 87 HIS CA C 13 54.8 0.2 A 87 HIS CB C 13 35.3 0.2 A 87 HIS CD2 C 13 119.7 0.2 A 87 HIS N N 15 118.5 0.2 A 88 PHE H H 1 8.82 0.02 A 88 PHE HA H 1 5.47 0.02 A 88 PHE HBx H 1 2.89 0.02 A 88 PHE HBy H 1 2.95 0.02 A 88 PHE HDx H 1 7.38 0.02 A 88 PHE HEx H 1 7.21 0.02 A 88 PHE HZ H 1 6.72 0.02 A 88 PHE C C 13 176.1 0.2 A 88 PHE CA C 13 59.1 0.2 A 88 PHE CB C 13 39.6 0.2 A 88 PHE CDx C 13 132.3 0.2 A 88 PHE CEx C 13 130.7 0.2 A 88 PHE CZ C 13 129.8 0.2 A 88 PHE N N 15 120.3 0.2 A 89 ILE H H 1 8.61 0.02 A 89 ILE HA H 1 4.64 0.02 A 89 ILE HB H 1 1.59 0.02 A 89 ILE HD1% H 1 0.77 0.02 A 89 ILE HG1x H 1 0.90 0.02 A 89 ILE HG1y H 1 1.41 0.02 A 89 ILE HG2% H 1 0.76 0.02 A 89 ILE C C 13 172.5 0.2 A 89 ILE CA C 13 59.3 0.2 A 89 ILE CB C 13 41.9 0.2 A 89 ILE CD1 C 13 13.9 0.2 A 89 ILE CG1 C 13 26.7 0.2 A 89 ILE CG2 C 13 17.4 0.2 A 89 ILE N N 15 119.2 0.2 A 90 PHE H H 1 8.60 0.02 A 90 PHE HA H 1 4.65 0.02 A 90 PHE HBx H 1 1.85 0.02 A 90 PHE HBy H 1 2.43 0.02 A 90 PHE HDx H 1 6.84 0.02 A 90 PHE HEx H 1 6.99 0.02 A 90 PHE C C 13 175.5 0.2 A 90 PHE CA C 13 56.9 0.2 A 90 PHE CB C 13 39.6 0.2 A 90 PHE CDx C 13 132.1 0.2 A 90 PHE CEx C 13 130.3 0.2 A 90 PHE N N 15 124.3 0.2 A 91 LEU H H 1 9.34 0.02 A 91 LEU HA H 1 4.60 0.02 A 91 LEU HBx H 1 1.42 0.02 A 91 LEU HBy H 1 1.85 0.02 A 91 LEU HD1% H 1 0.83 0.02 A 91 LEU HD2% H 1 0.82 0.02 A 91 LEU HG H 1 1.53 0.02 A 91 LEU C C 13 175.2 0.2 A 91 LEU CA C 13 53.8 0.2 A 91 LEU CB C 13 42.4 0.2 A 91 LEU CD1 C 13 25.5 0.2 A 91 LEU CD2 C 13 24.0 0.2 A 91 LEU CG C 13 26.7 0.2 A 91 LEU N N 15 125.3 0.2 A 92 ASN H H 1 8.58 0.02 A 92 ASN HA H 1 5.23 0.02 A 92 ASN HBx H 1 2.72 0.02 A 92 ASN HBy H 1 3.03 0.02 A 92 ASN HD2x H 1 6.84 0.02 A 92 ASN HD2y H 1 7.71 0.02 A 92 ASN CA C 13 50.4 0.2 A 92 ASN CB C 13 41.8 0.2 A 92 ASN CG C 13 175.8 0.2 A 92 ASN N N 15 123.0 0.2 A 92 ASN ND2 N 15 113.4 0.2 A 93 PRO HA H 1 4.11 0.02 A 93 PRO HBx H 1 1.90 0.02 A 93 PRO HBy H 1 2.18 0.02 A 93 PRO HDx H 1 3.70 0.02 A 93 PRO HDy H 1 3.74 0.02 A 93 PRO HGx H 1 1.89 0.02 A 93 PRO HGy H 1 1.91 0.02 A 93 PRO C C 13 176.9 0.2 A 93 PRO CA C 13 63.9 0.2 A 93 PRO CB C 13 32.2 0.2 A 93 PRO CD C 13 51.4 0.2 A 93 PRO CG C 13 27.0 0.2 A 94 ARG H H 1 8.27 0.02 A 94 ARG HA H 1 4.25 0.02 A 94 ARG HBx H 1 1.75 0.02 A 94 ARG HBy H 1 1.86 0.02 A 94 ARG HDx H 1 3.17 0.02 A 94 ARG HDy H 1 3.20 0.02 A 94 ARG HGx H 1 1.57 0.02 A 94 ARG HGy H 1 1.59 0.02 A 94 ARG C C 13 176.2 0.2 A 94 ARG CA C 13 56.5 0.2 A 94 ARG CB C 13 30.1 0.2 A 94 ARG CD C 13 43.3 0.2 A 94 ARG CG C 13 27.2 0.2 A 94 ARG N N 15 117.3 0.2 A 95 ASP H H 1 8.05 0.02 A 95 ASP HA H 1 4.89 0.02 A 95 ASP HBx H 1 2.68 0.02 A 95 ASP HBy H 1 3.07 0.02 A 95 ASP CA C 13 51.9 0.2 A 95 ASP CB C 13 41.8 0.2 A 95 ASP N N 15 122.1 0.2 A 96 PRO HA H 1 4.53 0.02 A 96 PRO HBx H 1 2.04 0.02 A 96 PRO HBy H 1 2.32 0.02 A 96 PRO HDx H 1 3.88 0.02 A 96 PRO HDy H 1 3.91 0.02 A 96 PRO HGx H 1 2.01 0.02 A 96 PRO HGy H 1 2.04 0.02 A 96 PRO C C 13 177.4 0.2 A 96 PRO CA C 13 64.1 0.2 A 96 PRO CB C 13 32.0 0.2 A 96 PRO CD C 13 50.9 0.2 A 96 PRO CG C 13 27.1 0.2 A 97 THR H H 1 8.38 0.02 A 97 THR HA H 1 4.23 0.02 A 97 THR HB H 1 4.27 0.02 A 97 THR HG2% H 1 1.18 0.02 A 97 THR C C 13 174.3 0.2 A 97 THR CA C 13 62.2 0.2 A 97 THR CB C 13 69.6 0.2 A 97 THR CG2 C 13 21.6 0.2 A 97 THR N N 15 111.8 0.2 A 98 TYR H H 1 8.00 0.02 A 98 TYR HA H 1 4.47 0.02 A 98 TYR HBx H 1 2.93 0.02 A 98 TYR HBy H 1 3.18 0.02 A 98 TYR HDx H 1 7.06 0.02 A 98 TYR HEx H 1 6.74 0.02 A 98 TYR C C 13 175.0 0.2 A 98 TYR CA C 13 58.5 0.2 A 98 TYR CB C 13 38.9 0.2 A 98 TYR CDx C 13 133.2 0.2 A 98 TYR CEx C 13 117.8 0.2 A 98 TYR N N 15 123.8 0.2 A 99 ARG H H 1 7.79 0.02 A 99 ARG HA H 1 4.55 0.02 A 99 ARG HBx H 1 1.58 0.02 A 99 ARG HBy H 1 1.67 0.02 A 99 ARG HDx H 1 3.13 0.02 A 99 ARG HDy H 1 3.18 0.02 A 99 ARG HGx H 1 1.54 0.02 A 99 ARG HGy H 1 1.57 0.02 A 99 ARG CA C 13 52.4 0.2 A 99 ARG CB C 13 31.0 0.2 A 99 ARG CD C 13 43.3 0.2 A 99 ARG CG C 13 26.5 0.2 A 99 ARG N N 15 126.7 0.2 A 103 GLY C C 13 173.7 0.2 A 104 GLY H H 1 7.99 0.02 A 104 GLY CA C 13 45.8 0.2 A 104 GLY N N 15 115.1 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET H A 2 PHE H 1.0 1.8 5.0 2 2 A 7 ALA H A 8 ALA H 1.0 1.8 3.5 3 3 A 8 ALA H A 9 ALA H 1.0 1.8 3.5 4 4 A 10 GLU H A 9 ALA H 1.0 1.8 3.5 5 5 A 10 GLU H A 11 GLN H 1.0 1.8 3.5 6 6 A 11 GLN H A 12 VAL H 1.0 1.8 3.5 7 7 A 12 VAL H A 13 LEU H 1.0 1.8 5.0 8 8 A 13 LEU H A 14 LYS H 1.0 1.8 3.5 9 9 A 14 LYS H A 15 ALA H 1.0 1.8 3.5 10 10 A 16 ALA H A 17 LYS H 1.0 1.8 3.5 11 11 A 17 LYS H A 18 GLN H 1.0 1.8 3.5 12 12 A 19 GLY H A 18 GLN H 1.0 1.8 3.5 13 13 A 19 GLY H A 20 GLY H 1.0 1.8 5.0 14 14 A 20 GLY H A 21 THR H 1.0 1.8 3.5 15 15 A 21 THR H A 22 GLU H 1.0 1.8 3.5 16 16 A 23 GLY H A 24 MET H 1.0 1.8 5.0 17 17 A 24 MET H A 25 CYS H 1.0 1.8 5.0 18 18 A 35 ASP H A 36 GLY H 1.0 1.8 3.5 19 19 A 36 GLY H A 37 SER H 1.0 1.8 3.5 20 20 A 45 ASP H A 46 ASP H 1.0 1.8 5.0 21 21 A 47 LEU H A 48 THR H 1.0 1.8 5.0 22 22 A 49 GLU H A 50 ASP H 1.0 1.8 5.0 23 23 A 50 ASP H A 51 ASP H 1.0 1.8 3.5 24 24 A 51 ASP H A 52 ILE H 1.0 1.8 5.0 25 25 A 56 SER H A 57 GLU H 1.0 1.8 5.0 26 26 A 57 GLU H A 58 GLY H 1.0 1.8 3.5 27 27 A 58 GLY H A 59 VAL H 1.0 1.8 3.5 28 28 A 66 ASP H A 67 TYR H 1.0 1.8 3.5 29 29 A 67 TYR H A 68 VAL H 1.0 1.8 3.0 30 30 A 69 SER H A 68 VAL H 1.0 1.8 4.0 31 31 A 69 SER H A 70 LEU H 1.0 1.8 4.0 32 32 A 70 LEU H A 71 LEU H 1.0 1.8 3.0 33 33 A 71 LEU H A 72 ASP H 1.0 1.8 3.5 34 34 A 72 ASP H A 73 GLN H 1.0 1.8 5.0 35 35 A 73 GLN H A 74 THR H 1.0 1.8 3.5 36 36 A 78 TYR H A 79 VAL H 1.0 1.8 5.0 37 37 A 80 GLU H A 81 LEU H 1.0 1.8 5.0 38 38 A 81 LEU H A 82 GLU H 1.0 1.8 3.5 39 39 A 84 GLY H A 85 GLN H 1.0 1.8 3.5 40 40 A 85 GLN H A 86 PHE H 1.0 1.8 5.0 41 41 A 86 PHE H A 87 HIS H 1.0 1.8 5.0 42 42 A 90 PHE H A 91 LEU H 1.0 1.8 5.0 43 43 A 92 ASN H A 91 LEU H 1.0 1.8 5.0 44 44 A 94 ARG H A 95 ASP H 1.0 1.8 3.5 45 45 A 97 THR H A 98 TYR H 1.0 1.8 5.0 46 46 A 98 TYR H A 99 ARG H 1.0 1.8 5.0 47 47 A 56 SER H A 58 GLY H 1.0 1.8 5.5 48 48 A 70 LEU H A 72 ASP H 1.0 1.8 5.5 49 49 A 2 PHE H A 1 MET HA 1.0 1.8 3.5 50 50 A 2 PHE HA A 3 LYS H 1.0 1.8 2.9 51 51 A 3 LYS HA A 4 LEU H 1.0 1.8 3.5 52 52 A 4 LEU HA A 5 THR H 1.0 1.8 3.5 53 53 A 22 GLU H A 21 THR HA 1.0 1.8 3.5 54 54 A 25 CYS H A 24 MET HA 1.0 1.8 3.5 55 55 A 25 CYS HA A 26 LEU H 1.0 1.8 3.5 56 56 A 26 LEU HA A 27 ARG H 1.0 1.8 3.5 57 57 A 28 LEU HA A 29 ALA H 1.0 1.8 3.5 58 58 A 32 ARG HA A 33 ASN H 1.0 1.8 2.9 59 59 A 36 GLY H A 35 ASP HA 1.0 1.8 3.5 60 60 A 38 ILE HA A 39 ASP H 1.0 1.8 3.5 61 61 A 39 ASP HA A 40 TYR H 1.0 1.8 2.9 62 62 A 40 TYR HA A 41 ARG H 1.0 1.8 3.5 63 63 A 41 ARG HA A 42 MET H 1.0 1.8 2.9 64 64 A 42 MET HA A 43 GLY H 1.0 1.8 3.5 65 65 A 45 ASP H A 44 PHE HA 1.0 1.8 2.8 66 66 A 46 ASP H A 45 ASP HA 1.0 1.8 2.9 67 67 A 47 LEU H A 46 ASP HA 1.0 1.8 2.8 68 68 A 48 THR H A 47 LEU HA 1.0 1.8 3.5 69 69 A 49 GLU H A 48 THR HA 1.0 1.8 2.9 70 70 A 52 ILE H A 51 ASP HA 1.0 1.8 3.5 71 71 A 52 ILE HA A 53 ARG H 1.0 1.8 2.8 72 72 A 53 ARG HA A 54 LEU H 1.0 1.8 2.8 73 73 A 54 LEU HA A 55 THR H 1.0 1.8 2.8 74 74 A 56 SER H A 55 THR HA 1.0 1.8 2.8 75 75 A 57 GLU H A 56 SER HA 1.0 1.8 3.5 76 76 A 58 GLY H A 57 GLU HA 1.0 1.8 3.5 77 77 A 59 VAL HA A 60 GLU H 1.0 1.8 2.8 78 78 A 60 GLU HA A 61 ILE H 1.0 1.8 2.8 79 79 A 61 ILE HA A 62 VAL H 1.0 1.8 2.8 80 80 A 62 VAL HA A 63 ILE H 1.0 1.8 2.8 81 81 A 74 THR HA A 75 THR H 1.0 1.8 3.5 82 82 A 75 THR HA A 76 LEU H 1.0 1.8 3.5 83 83 A 76 LEU HA A 77 ASP H 1.0 1.8 2.8 84 84 A 78 TYR H A 77 ASP HA 1.0 1.8 3.5 85 85 A 79 VAL H A 78 TYR HA 1.0 1.8 2.9 86 86 A 80 GLU H A 79 VAL HA 1.0 1.8 2.9 87 87 A 81 LEU H A 80 GLU HA 1.0 1.8 3.5 88 88 A 84 GLY H A 83 PRO HA 1.0 1.8 3.5 89 89 A 86 PHE H A 85 GLN HA 1.0 1.8 2.9 90 90 A 87 HIS H A 86 PHE HA 1.0 1.8 2.9 91 91 A 87 HIS HA A 88 PHE H 1.0 1.8 2.9 92 92 A 88 PHE HA A 89 ILE H 1.0 1.8 2.8 93 93 A 90 PHE HA A 91 LEU H 1.0 1.8 2.9 94 94 A 92 ASN H A 91 LEU HA 1.0 1.8 3.5 95 95 A 99 ARG H A 98 TYR HA 1.0 1.8 3.5 96 96 A 7 ALA H A 5 THR HA 1.0 1.8 5.0 97 97 A 21 THR H A 19 GLY HAx 1.0 1.8 5.5 98 97 A 21 THR H A 19 GLY HAy 1.0 1.8 5.5 99 98 A 22 GLU H A 20 GLY HAx 1.0 1.8 5.5 100 98 A 22 GLU H A 20 GLY HAy 1.0 1.8 5.5 101 99 A 36 GLY H A 34 PRO HA 1.0 1.8 5.0 102 100 A 51 ASP H A 49 GLU HA 1.0 1.8 5.0 103 101 A 58 GLY H A 56 SER HA 1.0 1.8 5.0 104 102 A 59 VAL H A 57 GLU HA 1.0 1.8 5.5 105 103 A 67 TYR H A 65 PRO HA 1.0 1.8 5.0 106 104 A 82 GLU H A 80 GLU HA 1.0 1.8 5.0 107 105 A 85 GLN H A 83 PRO HA 1.0 1.8 5.0 108 106 A 95 ASP H A 93 PRO HA 1.0 1.8 5.0 109 107 A 6 PRO HA A 9 ALA H 1.0 1.8 5.0 110 108 A 10 GLU H A 7 ALA HA 1.0 1.8 5.0 111 109 A 11 GLN H A 8 ALA HA 1.0 1.8 5.0 112 110 A 9 ALA HA A 12 VAL H 1.0 1.8 5.0 113 111 A 10 GLU HA A 13 LEU H 1.0 1.8 5.0 114 112 A 11 GLN HA A 14 LYS H 1.0 1.8 5.0 115 113 A 12 VAL HA A 15 ALA H 1.0 1.8 5.0 116 114 A 16 ALA H A 13 LEU HA 1.0 1.8 5.0 117 115 A 14 LYS HA A 17 LYS H 1.0 1.8 5.0 118 116 A 15 ALA HA A 18 GLN H 1.0 1.8 5.0 119 117 A 24 MET H A 21 THR HA 1.0 1.8 5.0 120 118 A 65 PRO HA A 68 VAL H 1.0 1.8 5.0 121 119 A 71 LEU H A 68 VAL HA 1.0 1.8 5.0 122 120 A 10 GLU H A 6 PRO HA 1.0 1.8 5.0 123 121 A 10 GLU HA A 14 LYS H 1.0 1.8 5.0 124 122 A 13 LEU HA A 17 LYS H 1.0 1.8 5.0 125 123 A 14 LYS HA A 18 GLN H 1.0 1.8 5.0 126 124 A 59 VAL H A 55 THR HA 1.0 1.8 5.5 127 125 A 12 VAL HB A 13 LEU H 1.0 1.8 5.0 128 126 A 38 ILE HB A 39 ASP H 1.0 1.8 5.0 129 127 A 49 GLU H A 48 THR HB 1.0 1.8 5.0 130 128 A 53 ARG H A 52 ILE HB 1.0 1.8 5.0 131 129 A 56 SER H A 55 THR HB 1.0 1.8 5.0 132 130 A 61 ILE HB A 62 VAL H 1.0 1.8 5.0 133 131 A 63 ILE H A 62 VAL HB 1.0 1.8 5.0 134 132 A 69 SER H A 68 VAL HB 1.0 1.8 5.0 135 133 A 75 THR H A 74 THR HB 1.0 1.8 5.0 136 134 A 80 GLU H A 79 VAL HB 1.0 1.8 5.0 137 135 A 90 PHE H A 89 ILE HB 1.0 1.8 5.0 138 136 A 98 TYR H A 97 THR HB 1.0 1.8 3.5 139 137 A 2 PHE H A 1 MET HGx 1.0 1.8 5.0 140 137 A 2 PHE H A 1 MET HGy 1.0 1.8 5.0 141 138 A 4 LEU H A 3 LYS HGx 1.0 1.8 5.5 142 138 A 4 LEU H A 3 LYS HGy 1.0 1.8 5.5 143 139 A 4 LEU HD2% A 5 THR H 1.0 1.8 5.5 144 140 A 4 LEU HG A 5 THR H 1.0 1.8 5.0 145 141 A 7 ALA H A 6 PRO HDx 1.0 1.8 5.0 146 141 A 7 ALA H A 6 PRO HDy 1.0 1.8 5.0 147 142 A 7 ALA H A 6 PRO HGx 1.0 1.8 5.5 148 142 A 7 ALA H A 6 PRO HGy 1.0 1.8 5.5 149 143 A 11 GLN H A 10 GLU HGx 1.0 1.8 5.0 150 143 A 11 GLN H A 10 GLU HGy 1.0 1.8 5.0 151 144 A 12 VAL HG1% A 13 LEU H 1.0 1.8 5.5 152 145 A 12 VAL HG2% A 13 LEU H 1.0 1.8 5.5 153 146 A 13 LEU HD1% A 14 LYS H 1.0 1.8 5.5 154 147 A 17 LYS HDy A 18 GLN H 1.0 1.8 5.5 155 147 A 18 GLN H A 17 LYS HDx 1.0 1.8 5.5 156 148 A 17 LYS HGy A 18 GLN H 1.0 1.8 5.0 157 148 A 18 GLN H A 17 LYS HGx 1.0 1.8 5.0 158 149 A 18 GLN H A 17 LYS HGx 1.0 1.8 5.0 159 150 A 22 GLU H A 21 THR HG2% 1.0 1.8 5.5 160 151 A 25 CYS H A 24 MET HE% 1.0 1.8 5.5 161 152 A 25 CYS H A 24 MET HGx 1.0 1.8 5.5 162 152 A 25 CYS H A 24 MET HGy 1.0 1.8 5.5 163 153 A 26 LEU HD1% A 27 ARG H 1.0 1.8 5.5 164 154 A 26 LEU HG A 27 ARG H 1.0 1.8 5.0 165 155 A 28 LEU HD2% A 29 ALA H 1.0 1.8 5.5 166 156 A 33 ASN H A 32 ARG HDx 1.0 1.8 5.5 167 156 A 33 ASN H A 32 ARG HDy 1.0 1.8 5.5 168 157 A 33 ASN H A 32 ARG HGx 1.0 1.8 5.5 169 157 A 33 ASN H A 32 ARG HGy 1.0 1.8 5.5 170 158 A 35 ASP H A 34 PRO HDx 1.0 1.8 5.5 171 158 A 35 ASP H A 34 PRO HDy 1.0 1.8 5.5 172 159 A 38 ILE HD1% A 39 ASP H 1.0 1.8 5.5 173 160 A 38 ILE HG1y A 39 ASP H 1.0 1.8 5.0 174 160 A 39 ASP H A 38 ILE HG1x 1.0 1.8 5.0 175 161 A 38 ILE HG2% A 39 ASP H 1.0 1.8 5.5 176 162 A 42 MET H A 41 ARG HGx 1.0 1.8 5.5 177 162 A 42 MET H A 41 ARG HGy 1.0 1.8 5.5 178 163 A 45 ASP H A 44 PHE HD% 1.0 1.8 5.5 179 164 A 48 THR H A 47 LEU HD1% 1.0 1.8 5.5 180 165 A 48 THR H A 47 LEU HD2% 1.0 1.8 5.5 181 166 A 48 THR H A 47 LEU HG 1.0 1.8 5.0 182 167 A 49 GLU H A 48 THR HG2% 1.0 1.8 5.5 183 168 A 50 ASP H A 49 GLU HGx 1.0 1.8 5.5 184 168 A 50 ASP H A 49 GLU HGy 1.0 1.8 5.5 185 169 A 53 ARG H A 52 ILE HD1% 1.0 1.8 5.5 186 170 A 53 ARG H A 52 ILE HG1x 1.0 1.8 5.5 187 170 A 53 ARG H A 52 ILE HG1y 1.0 1.8 5.5 188 171 A 53 ARG H A 52 ILE HG2% 1.0 1.8 5.5 189 172 A 54 LEU H A 53 ARG HGx 1.0 1.8 5.5 190 172 A 54 LEU H A 53 ARG HGy 1.0 1.8 5.5 191 173 A 55 THR H A 54 LEU HD1% 1.0 1.8 5.5 192 174 A 55 THR H A 54 LEU HD2% 1.0 1.8 5.5 193 175 A 56 SER H A 55 THR HG2% 1.0 1.8 5.5 194 176 A 60 GLU H A 59 VAL HG1% 1.0 1.8 5.5 195 177 A 60 GLU H A 59 VAL HG2% 1.0 1.8 5.5 196 178 A 61 ILE H A 60 GLU HGx 1.0 1.8 5.0 197 178 A 61 ILE H A 60 GLU HGy 1.0 1.8 5.0 198 179 A 61 ILE HG2% A 62 VAL H 1.0 1.8 5.5 199 180 A 63 ILE H A 62 VAL HG1% 1.0 1.8 5.5 200 181 A 63 ILE H A 62 VAL HG2% 1.0 1.8 5.5 201 182 A 63 ILE HG2% A 64 ALA H 1.0 1.8 5.5 202 183 A 66 ASP H A 65 PRO HDy 1.0 1.8 5.0 203 183 A 66 ASP H A 65 PRO HDx 1.0 1.8 5.0 204 184 A 66 ASP H A 65 PRO HDx 1.0 1.8 5.0 205 185 A 66 ASP H A 65 PRO HGx 1.0 1.8 5.5 206 185 A 66 ASP H A 65 PRO HGy 1.0 1.8 5.5 207 186 A 69 SER H A 68 VAL HG1% 1.0 1.8 5.5 208 187 A 69 SER H A 68 VAL HG2% 1.0 1.8 5.5 209 188 A 74 THR H A 73 GLN HGx 1.0 1.8 5.0 210 188 A 74 THR H A 73 GLN HGy 1.0 1.8 5.0 211 189 A 75 THR H A 74 THR HG2% 1.0 1.8 5.5 212 190 A 75 THR HG2% A 76 LEU H 1.0 1.8 5.5 213 191 A 76 LEU HD1% A 77 ASP H 1.0 1.8 5.0 214 192 A 76 LEU HG A 77 ASP H 1.0 1.8 5.0 215 193 A 80 GLU H A 79 VAL HG1% 1.0 1.8 5.5 216 194 A 80 GLU H A 79 VAL HG2% 1.0 1.8 5.5 217 195 A 81 LEU H A 80 GLU HGx 1.0 1.8 5.0 218 195 A 81 LEU H A 80 GLU HGy 1.0 1.8 5.0 219 196 A 82 GLU H A 81 LEU HD1% 1.0 1.8 5.5 220 197 A 82 GLU H A 81 LEU HD2% 1.0 1.8 5.5 221 198 A 86 PHE H A 85 GLN HGx 1.0 1.8 5.0 222 198 A 86 PHE H A 85 GLN HGy 1.0 1.8 5.0 223 199 A 87 HIS H A 86 PHE HD% 1.0 1.8 5.5 224 200 A 88 PHE HD% A 89 ILE H 1.0 1.8 5.5 225 201 A 90 PHE H A 89 ILE HD1% 1.0 1.8 5.5 226 202 A 90 PHE H A 89 ILE HG2% 1.0 1.8 5.5 227 203 A 92 ASN H A 91 LEU HD2% 1.0 1.8 5.5 228 204 A 92 ASN H A 91 LEU HG 1.0 1.8 5.0 229 205 A 94 ARG H A 93 PRO HGx 1.0 1.8 5.5 230 205 A 94 ARG H A 93 PRO HGy 1.0 1.8 5.5 231 206 A 97 THR H A 96 PRO HDx 1.0 1.8 5.5 232 206 A 97 THR H A 96 PRO HDy 1.0 1.8 5.5 233 207 A 98 TYR H A 97 THR HG2% 1.0 1.8 5.5 234 208 A 99 ARG H A 98 TYR HD% 1.0 1.8 5.5 235 209 A 7 ALA H A 5 THR HB 1.0 1.8 3.5 236 210 A 7 ALA HB% A 9 ALA H 1.0 1.8 5.5 237 211 A 10 GLU H A 8 ALA HB% 1.0 1.8 5.5 238 212 A 15 ALA HB% A 17 LYS H 1.0 1.8 5.5 239 213 A 16 ALA HB% A 18 GLN H 1.0 1.8 5.5 240 214 A 50 ASP H A 48 THR HB 1.0 1.8 5.0 241 215 A 59 VAL H A 57 GLU HBx 1.0 1.8 5.5 242 215 A 59 VAL H A 57 GLU HBy 1.0 1.8 5.5 243 216 A 66 ASP H A 64 ALA HB% 1.0 1.8 5.0 244 217 A 79 VAL H A 77 ASP HBx 1.0 1.8 5.5 245 217 A 79 VAL H A 77 ASP HBy 1.0 1.8 5.5 246 218 A 81 LEU H A 79 VAL HB 1.0 1.8 5.0 247 219 A 7 ALA H A 5 THR HG1 1.0 1.8 5.0 248 220 A 7 ALA H A 5 THR HG2% 1.0 1.8 5.5 249 221 A 50 ASP H A 48 THR HG2% 1.0 1.8 5.5 250 222 A 75 THR HG2% A 77 ASP H 1.0 1.8 5.5 251 223 A 82 GLU H A 80 GLU HGx 1.0 1.8 5.5 252 223 A 82 GLU H A 80 GLU HGy 1.0 1.8 5.5 253 224 A 8 ALA H A 5 THR HB 1.0 1.8 5.0 254 225 A 15 ALA HB% A 18 GLN H 1.0 1.8 5.5 255 226 A 24 MET H A 21 THR HB 1.0 1.8 5.0 256 227 A 59 VAL H A 56 SER HBx 1.0 1.8 5.5 257 227 A 59 VAL H A 56 SER HBy 1.0 1.8 5.5 258 228 A 67 TYR H A 64 ALA HB% 1.0 1.8 5.5 259 229 A 8 ALA H A 5 THR HG1 1.0 1.8 5.0 260 230 A 8 ALA H A 5 THR HG2% 1.0 1.8 5.5 261 231 A 24 MET H A 21 THR HG2% 1.0 1.8 5.5 262 232 A 58 GLY H A 55 THR HG2% 1.0 1.8 5.0 263 233 A 95 ASP H A 92 ASN HD2y 1.0 1.8 5.5 264 233 A 95 ASP H A 92 ASN HD2x 1.0 1.8 5.5 265 234 A 37 SER H A 33 ASN HBx 1.0 1.8 5.5 266 234 A 37 SER H A 33 ASN HBy 1.0 1.8 5.5 267 235 A 11 GLN HGy A 15 ALA H 1.0 1.8 5.5 268 235 A 15 ALA H A 11 GLN HGx 1.0 1.8 5.5 269 236 A 14 LYS HGy A 18 GLN H 1.0 1.8 5.5 270 236 A 18 GLN H A 14 LYS HGx 1.0 1.8 5.5 271 237 A 37 SER H A 33 ASN HD2y 1.0 1.8 5.5 272 237 A 37 SER H A 33 ASN HD2x 1.0 1.8 5.5 273 238 A 51 ASP H A 47 LEU HD2% 1.0 1.8 5.5 274 239 A 59 VAL H A 55 THR HG2% 1.0 1.8 5.0 275 240 A 67 TYR H A 63 ILE HG2% 1.0 1.8 5.5 276 241 A 72 ASP H A 68 VAL HG1% 1.0 1.8 5.5 277 242 A 84 GLY H A 80 GLU HGx 1.0 1.8 5.0 278 242 A 84 GLY H A 80 GLU HGy 1.0 1.8 5.0 279 243 A 6 PRO HA A 9 ALA HB% 1.0 1.8 5.0 280 244 A 7 ALA HA A 10 GLU HBx 1.0 1.8 5.5 281 244 A 7 ALA HA A 10 GLU HBy 1.0 1.8 5.5 282 245 A 8 ALA HA A 11 GLN HBx 1.0 1.8 5.5 283 245 A 8 ALA HA A 11 GLN HBy 1.0 1.8 5.5 284 246 A 9 ALA HA A 12 VAL HB 1.0 1.8 5.0 285 247 A 10 GLU HA A 13 LEU HBx 1.0 1.8 5.0 286 247 A 10 GLU HA A 13 LEU HBy 1.0 1.8 5.0 287 248 A 11 GLN HA A 14 LYS HBx 1.0 1.8 3.5 288 248 A 11 GLN HA A 14 LYS HBy 1.0 1.8 3.5 289 249 A 12 VAL HA A 15 ALA HB% 1.0 1.8 5.0 290 250 A 13 LEU HA A 16 ALA HB% 1.0 1.8 5.0 291 251 A 14 LYS HA A 17 LYS HBx 1.0 1.8 5.0 292 251 A 14 LYS HA A 17 LYS HBy 1.0 1.8 5.0 293 252 A 15 ALA HA A 18 GLN HBx 1.0 1.8 5.0 294 252 A 15 ALA HA A 18 GLN HBy 1.0 1.8 5.0 295 253 A 21 THR HA A 24 MET HBx 1.0 1.8 5.0 296 253 A 21 THR HA A 24 MET HBy 1.0 1.8 5.0 297 254 A 65 PRO HA A 68 VAL HB 1.0 1.8 5.0 298 255 A 68 VAL HA A 71 LEU HBx 1.0 1.8 5.5 299 255 A 68 VAL HA A 71 LEU HBy 1.0 1.8 5.5 300 256 A 69 SER HA A 72 ASP HBx 1.0 1.8 5.5 301 256 A 69 SER HA A 72 ASP HBy 1.0 1.8 5.5 302 257 A 9 ALA HA A 12 VAL HG1% 1.0 1.8 5.5 303 258 A 9 ALA HA A 12 VAL HG2% 1.0 1.8 5.5 304 259 A 10 GLU HA A 13 LEU HD1% 1.0 1.8 5.0 305 260 A 11 GLN HA A 14 LYS HDx 1.0 1.8 5.5 306 260 A 11 GLN HA A 14 LYS HDy 1.0 1.8 5.5 307 261 A 14 LYS HA A 17 LYS HDx 1.0 1.8 5.0 308 261 A 14 LYS HA A 17 LYS HDy 1.0 1.8 5.0 309 262 A 21 THR HA A 24 MET HGx 1.0 1.8 5.5 310 262 A 21 THR HA A 24 MET HGy 1.0 1.8 5.5 311 263 A 65 PRO HA A 68 VAL HG1% 1.0 1.8 5.5 312 264 A 65 PRO HA A 68 VAL HG2% 1.0 1.8 5.0 313 265 A 67 TYR HA A 70 LEU HD1% 1.0 1.8 5.0 314 266 A 76 LEU H A 3 LYS H 1.0 1.8 5.0 315 267 A 76 LEU H A 5 THR H 1.0 1.8 5.5 316 268 A 8 ALA H A 5 THR H 1.0 1.8 5.0 317 269 A 8 ALA H A 78 TYR H 1.0 1.8 5.5 318 270 A 25 CYS H A 45 ASP H 1.0 1.8 5.0 319 271 A 26 LEU H A 62 VAL H 1.0 1.8 5.0 320 272 A 43 GLY H A 27 ARG H 1.0 1.8 5.0 321 273 A 41 ARG H A 29 ALA H 1.0 1.8 5.0 322 274 A 39 ASP H A 31 GLY H 1.0 1.8 5.0 323 275 A 36 GLY H A 33 ASN H 1.0 1.8 5.0 324 276 A 37 SER H A 33 ASN H 1.0 1.8 5.0 325 277 A 33 ASN H A 38 ILE H 1.0 1.8 5.0 326 278 A 33 ASN H A 39 ASP H 1.0 1.8 5.0 327 279 A 48 THR H A 51 ASP H 1.0 1.8 5.0 328 280 A 52 ILE H A 63 ILE H 1.0 1.8 5.0 329 281 A 54 LEU H A 61 ILE H 1.0 1.8 5.0 330 282 A 56 SER H A 59 VAL H 1.0 1.8 4.0 331 283 A 56 SER H A 61 ILE H 1.0 1.8 5.0 332 284 A 75 THR H A 91 LEU H 1.0 1.8 5.0 333 285 A 89 ILE H A 77 ASP H 1.0 1.8 5.0 334 286 A 91 LEU H A 77 ASP H 1.0 1.8 5.0 335 287 A 79 VAL H A 87 HIS H 1.0 1.8 5.0 336 288 A 79 VAL H A 89 ILE H 1.0 1.8 5.0 337 289 A 81 LEU H A 87 HIS H 1.0 1.8 5.0 338 290 A 82 GLU H A 85 GLN H 1.0 1.8 5.0 339 291 A 74 THR H A 2 PHE HA 1.0 1.8 5.0 340 292 A 4 LEU HA A 76 LEU H 1.0 1.8 5.0 341 293 A 21 THR H A 16 ALA HA 1.0 1.8 5.0 342 294 A 27 ARG HA A 62 VAL H 1.0 1.8 5.0 343 295 A 28 LEU HA A 43 GLY H 1.0 1.8 5.0 344 296 A 30 ALA HA A 41 ARG H 1.0 1.8 5.0 345 297 A 53 ARG HA A 61 ILE H 1.0 1.8 5.0 346 298 A 55 THR HA A 61 ILE H 1.0 1.8 5.0 347 299 A 78 TYR HA A 89 ILE H 1.0 1.8 5.0 348 300 A 87 HIS H A 80 GLU HA 1.0 1.8 5.0 349 301 A 75 THR HA A 3 LYS H 1.0 1.8 3.5 350 302 A 77 ASP HA A 5 THR H 1.0 1.8 5.0 351 303 A 8 ALA H A 77 ASP HA 1.0 1.8 5.0 352 304 A 26 LEU H A 61 ILE HA 1.0 1.8 5.0 353 305 A 44 PHE HA A 27 ARG H 1.0 1.8 5.0 354 306 A 42 MET HA A 29 ALA H 1.0 1.8 5.0 355 307 A 67 TYR HA A 30 ALA H 1.0 1.8 5.0 356 308 A 38 ILE HA A 31 GLY H 1.0 1.8 5.0 357 309 A 33 ASN H A 38 ILE HA 1.0 1.8 5.0 358 310 A 52 ILE H A 64 ALA HA 1.0 1.8 5.0 359 311 A 54 LEU H A 60 GLU HA 1.0 1.8 5.0 360 312 A 56 SER H A 60 GLU HA 1.0 1.8 5.0 361 313 A 75 THR H A 90 PHE HA 1.0 1.8 5.0 362 314 A 75 THR H A 92 ASN HA 1.0 1.8 5.0 363 315 A 90 PHE HA A 77 ASP H 1.0 1.8 5.0 364 316 A 79 VAL H A 88 PHE HA 1.0 1.8 5.0 365 317 A 81 LEU H A 86 PHE HA 1.0 1.8 5.0 366 318 A 26 LEU HA A 44 PHE HA 1.0 1.8 5.0 367 319 A 28 LEU HA A 42 MET HA 1.0 1.8 5.0 368 320 A 74 THR HA A 92 ASN HA 1.0 1.8 5.0 369 321 A 78 TYR HA A 88 PHE HA 1.0 1.8 5.0 370 322 A 73 GLN H A 1 MET HBx 1.0 1.8 5.5 371 322 A 73 GLN H A 1 MET HBy 1.0 1.8 5.5 372 323 A 74 THR H A 2 PHE HD% 1.0 1.8 5.5 373 324 A 76 LEU H A 3 LYS HGx 1.0 1.8 5.5 374 324 A 3 LYS HGy A 76 LEU H 1.0 1.8 5.5 375 325 A 4 LEU HBy A 9 ALA H 1.0 1.8 5.5 376 325 A 9 ALA H A 4 LEU HBx 1.0 1.8 5.5 377 326 A 56 SER H A 4 LEU HD1% 1.0 1.8 5.5 378 327 A 59 VAL H A 4 LEU HD1% 1.0 1.8 5.5 379 328 A 4 LEU HD1% A 9 ALA H 1.0 1.8 5.5 380 329 A 10 GLU H A 4 LEU HD2% 1.0 1.8 5.5 381 330 A 4 LEU HD2% A 12 VAL H 1.0 1.8 5.5 382 331 A 4 LEU HD2% A 9 ALA H 1.0 1.8 5.0 383 332 A 78 TYR H A 5 THR HG1 1.0 1.8 5.0 384 333 A 78 TYR H A 5 THR HG2% 1.0 1.8 5.0 385 334 A 78 TYR H A 7 ALA HB% 1.0 1.8 5.5 386 335 A 78 TYR H A 8 ALA HB% 1.0 1.8 5.5 387 336 A 59 VAL H A 9 ALA HB% 1.0 1.8 5.5 388 337 A 21 THR H A 16 ALA HB% 1.0 1.8 5.5 389 338 A 22 GLU H A 16 ALA HB% 1.0 1.8 5.5 390 339 A 21 THR HG2% A 44 PHE H 1.0 1.8 5.5 391 340 A 45 ASP H A 24 MET HBx 1.0 1.8 5.0 392 340 A 45 ASP H A 24 MET HBy 1.0 1.8 5.0 393 341 A 45 ASP H A 24 MET HE% 1.0 1.8 5.0 394 342 A 46 ASP H A 24 MET HE% 1.0 1.8 5.0 395 343 A 45 ASP H A 24 MET HGx 1.0 1.8 5.5 396 343 A 45 ASP H A 24 MET HGy 1.0 1.8 5.5 397 344 A 26 LEU HD1% A 43 GLY H 1.0 1.8 5.5 398 345 A 26 LEU HD2% A 43 GLY H 1.0 1.8 5.5 399 346 A 28 LEU HD2% A 43 GLY H 1.0 1.8 5.5 400 347 A 30 ALA HB% A 41 ARG H 1.0 1.8 5.5 401 348 A 70 LEU H A 30 ALA HB% 1.0 1.8 5.5 402 349 A 63 ILE H A 51 ASP HBy 1.0 1.8 5.5 403 349 A 63 ILE H A 51 ASP HBx 1.0 1.8 5.5 404 350 A 63 ILE H A 52 ILE HB 1.0 1.8 5.0 405 351 A 63 ILE H A 52 ILE HD1% 1.0 1.8 5.5 406 352 A 63 ILE H A 52 ILE HG2% 1.0 1.8 5.5 407 353 A 63 ILE HG2% A 68 VAL H 1.0 1.8 5.0 408 354 A 74 THR HG2% A 91 LEU H 1.0 1.8 5.5 409 355 A 75 THR HB A 91 LEU H 1.0 1.8 5.0 410 356 A 75 THR HG2% A 91 LEU H 1.0 1.8 5.5 411 357 A 76 LEU HD1% A 89 ILE H 1.0 1.8 5.5 412 358 A 79 VAL HG1% A 89 ILE H 1.0 1.8 5.5 413 359 A 87 HIS H A 79 VAL HG2% 1.0 1.8 5.5 414 360 A 79 VAL HG2% A 89 ILE H 1.0 1.8 5.0 415 361 A 85 GLN H A 80 GLU HGx 1.0 1.8 5.0 416 361 A 85 GLN H A 80 GLU HGy 1.0 1.8 5.0 417 362 A 87 HIS H A 81 LEU HD1% 1.0 1.8 5.5 418 363 A 87 HIS H A 81 LEU HD2% 1.0 1.8 5.5 419 364 A 87 HIS H A 81 LEU HG 1.0 1.8 5.0 420 365 A 1 MET H A 54 LEU HD1% 1.0 1.8 5.5 421 366 A 1 MET H A 54 LEU HD2% 1.0 1.8 5.5 422 367 A 2 PHE H A 54 LEU HD1% 1.0 1.8 5.5 423 368 A 2 PHE H A 54 LEU HD2% 1.0 1.8 5.0 424 369 A 4 LEU H A 56 SER HBx 1.0 1.8 5.5 425 369 A 4 LEU H A 56 SER HBy 1.0 1.8 5.5 426 370 A 75 THR HG2% A 5 THR H 1.0 1.8 5.5 427 371 A 8 ALA HB% A 5 THR H 1.0 1.8 5.5 428 372 A 9 ALA HB% A 5 THR H 1.0 1.8 5.5 429 373 A 8 ALA H A 78 TYR HBx 1.0 1.8 5.5 430 373 A 8 ALA H A 78 TYR HBy 1.0 1.8 5.5 431 374 A 12 VAL HG2% A 9 ALA H 1.0 1.8 5.5 432 375 A 59 VAL HG2% A 9 ALA H 1.0 1.8 5.5 433 376 A 10 GLU H A 59 VAL HG2% 1.0 1.8 5.5 434 377 A 11 GLN H A 14 LYS HBx 1.0 1.8 5.5 435 377 A 11 GLN H A 14 LYS HBy 1.0 1.8 5.5 436 378 A 59 VAL HG2% A 13 LEU H 1.0 1.8 5.5 437 379 A 26 LEU H A 62 VAL HG2% 1.0 1.8 5.5 438 380 A 62 VAL HG2% A 27 ARG H 1.0 1.8 5.5 439 381 A 61 ILE HG2% A 28 LEU H 1.0 1.8 5.5 440 382 A 62 VAL HG2% A 28 LEU H 1.0 1.8 5.5 441 383 A 28 LEU H A 63 ILE HD1% 1.0 1.8 5.5 442 384 A 28 LEU H A 63 ILE HG1x 1.0 1.8 5.0 443 384 A 28 LEU H A 63 ILE HG1y 1.0 1.8 5.0 444 385 A 63 ILE HG2% A 28 LEU H 1.0 1.8 5.5 445 386 A 71 LEU HD1% A 29 ALA H 1.0 1.8 5.5 446 387 A 30 ALA H A 67 TYR HBx 1.0 1.8 5.0 447 387 A 30 ALA H A 67 TYR HBy 1.0 1.8 5.0 448 388 A 30 ALA H A 67 TYR HD% 1.0 1.8 5.5 449 389 A 30 ALA H A 67 TYR HE% 1.0 1.8 5.5 450 390 A 30 ALA H A 71 LEU HD1% 1.0 1.8 5.0 451 391 A 38 ILE HG2% A 31 GLY H 1.0 1.8 5.0 452 392 A 39 ASP HBy A 31 GLY H 1.0 1.8 5.0 453 392 A 31 GLY H A 39 ASP HBx 1.0 1.8 5.0 454 393 A 70 LEU HD1% A 32 ARG H 1.0 1.8 5.5 455 394 A 48 THR H A 51 ASP HBy 1.0 1.8 5.0 456 394 A 48 THR H A 51 ASP HBx 1.0 1.8 5.0 457 395 A 48 THR H A 62 VAL HG1% 1.0 1.8 5.5 458 396 A 54 LEU H A 61 ILE HB 1.0 1.8 5.0 459 397 A 54 LEU H A 61 ILE HD1% 1.0 1.8 5.5 460 398 A 54 LEU H A 61 ILE HG2% 1.0 1.8 5.5 461 399 A 54 LEU H A 62 VAL HG1% 1.0 1.8 5.5 462 400 A 56 SER H A 59 VAL HB 1.0 1.8 5.0 463 401 A 56 SER H A 59 VAL HG1% 1.0 1.8 5.5 464 402 A 56 SER H A 61 ILE HD1% 1.0 1.8 5.5 465 403 A 56 SER H A 61 ILE HG1x 1.0 1.8 5.5 466 403 A 56 SER H A 61 ILE HG1y 1.0 1.8 5.5 467 404 A 64 ALA H A 67 TYR HD% 1.0 1.8 5.5 468 405 A 75 THR H A 90 PHE HBx 1.0 1.8 5.5 469 405 A 75 THR H A 90 PHE HBy 1.0 1.8 5.5 470 406 A 75 THR H A 91 LEU HBx 1.0 1.8 5.5 471 406 A 75 THR H A 91 LEU HBy 1.0 1.8 5.5 472 407 A 89 ILE HD1% A 77 ASP H 1.0 1.8 5.5 473 408 A 89 ILE HG1y A 77 ASP H 1.0 1.8 5.5 474 408 A 77 ASP H A 89 ILE HG1x 1.0 1.8 5.5 475 409 A 89 ILE HG2% A 77 ASP H 1.0 1.8 5.5 476 410 A 91 LEU HD1% A 77 ASP H 1.0 1.8 5.5 477 411 A 79 VAL H A 89 ILE HG1x 1.0 1.8 5.5 478 411 A 79 VAL H A 89 ILE HG1y 1.0 1.8 5.5 479 412 A 79 VAL H A 89 ILE HG2% 1.0 1.8 5.5 480 413 A 80 GLU H A 86 PHE HE% 1.0 1.8 5.5 481 414 A 81 LEU H A 85 GLN HBx 1.0 1.8 5.5 482 414 A 81 LEU H A 85 GLN HBy 1.0 1.8 5.5 483 415 A 81 LEU H A 87 HIS HD2 1.0 1.8 5.0 484 416 A 82 GLU H A 85 GLN HBx 1.0 1.8 5.0 485 416 A 82 GLU H A 85 GLN HBy 1.0 1.8 5.0 486 417 A 82 GLU H A 85 GLN HGx 1.0 1.8 5.0 487 417 A 82 GLU H A 85 GLN HGy 1.0 1.8 5.0 488 418 A 73 GLN HA A 1 MET HBx 1.0 1.8 5.5 489 418 A 1 MET HBy A 73 GLN HA 1.0 1.8 5.5 490 419 A 9 ALA HA A 4 LEU HD2% 1.0 1.8 5.0 491 420 A 77 ASP HA A 5 THR HG1 1.0 1.8 5.0 492 421 A 77 ASP HA A 5 THR HG2% 1.0 1.8 5.0 493 422 A 8 ALA HA A 78 TYR HBx 1.0 1.8 5.0 494 422 A 8 ALA HA A 78 TYR HBy 1.0 1.8 5.0 495 423 A 8 ALA HA A 88 PHE HE% 1.0 1.8 5.0 496 424 A 77 ASP HA A 8 ALA HB% 1.0 1.8 5.0 497 425 A 9 ALA HA A 59 VAL HG2% 1.0 1.8 5.0 498 426 A 10 GLU HA A 59 VAL HG2% 1.0 1.8 5.5 499 427 A 21 THR HG2% A 16 ALA HA 1.0 1.8 5.5 500 428 A 16 ALA HB% A 22 GLU HA 1.0 1.8 5.0 501 429 A 17 LYS HA A 22 GLU HGx 1.0 1.8 5.5 502 429 A 17 LYS HA A 22 GLU HGy 1.0 1.8 5.5 503 430 A 21 THR HA A 44 PHE HD% 1.0 1.8 5.5 504 431 A 45 ASP HA A 24 MET HE% 1.0 1.8 5.0 505 432 A 46 ASP HA A 24 MET HE% 1.0 1.8 5.0 506 433 A 26 LEU HA A 44 PHE HD% 1.0 1.8 5.0 507 434 A 61 ILE HA A 26 LEU HBx 1.0 1.8 5.5 508 434 A 61 ILE HA A 26 LEU HBy 1.0 1.8 5.5 509 435 A 42 MET HA A 26 LEU HD1% 1.0 1.8 5.5 510 436 A 62 VAL HG2% A 27 ARG HA 1.0 1.8 5.0 511 437 A 42 MET HA A 28 LEU HD2% 1.0 1.8 5.0 512 438 A 71 LEU HD1% A 29 ALA HA 1.0 1.8 5.0 513 439 A 40 TYR HA A 30 ALA HB% 1.0 1.8 5.0 514 440 A 70 LEU HD1% A 31 GLY HAx 1.0 1.8 5.0 515 440 A 70 LEU HD1% A 31 GLY HAy 1.0 1.8 5.0 516 441 A 39 ASP HA A 33 ASN HD2y 1.0 1.8 5.0 517 441 A 39 ASP HA A 33 ASN HD2x 1.0 1.8 5.0 518 442 A 38 ILE HD1% A 95 ASP HA 1.0 1.8 5.0 519 443 A 47 LEU HA A 62 VAL HG1% 1.0 1.8 5.0 520 444 A 47 LEU HA A 62 VAL HG2% 1.0 1.8 5.0 521 445 A 51 ASP HA A 64 ALA HB% 1.0 1.8 5.0 522 446 A 65 PRO HA A 52 ILE HD1% 1.0 1.8 5.0 523 447 A 53 ARG HA A 62 VAL HG1% 1.0 1.8 5.5 524 448 A 55 THR HA A 61 ILE HD1% 1.0 1.8 5.5 525 449 A 55 THR HG2% A 58 GLY HAx 1.0 1.8 5.5 526 449 A 55 THR HG2% A 58 GLY HAy 1.0 1.8 5.5 527 450 A 59 VAL HA A 55 THR HG2% 1.0 1.8 5.5 528 451 A 60 GLU HA A 55 THR HG2% 1.0 1.8 5.0 529 452 A 68 VAL HA A 63 ILE HG2% 1.0 1.8 5.0 530 453 A 74 THR HG2% A 92 ASN HA 1.0 1.8 5.0 531 454 A 77 ASP HA A 75 THR HG2% 1.0 1.8 5.5 532 455 A 88 PHE HA A 76 LEU HD1% 1.0 1.8 5.5 533 456 A 79 VAL HA A 86 PHE HE% 1.0 1.8 5.5 534 457 A 83 PRO HA A 80 GLU HGx 1.0 1.8 5.0 535 457 A 83 PRO HA A 80 GLU HGy 1.0 1.8 5.0 536 458 A 1 MET HE% A 73 GLN HE2y 1.0 1.8 5.5 537 458 A 1 MET HE% A 73 GLN HE2x 1.0 1.8 5.5 538 459 A 1 MET HGx A 73 GLN HE2y 1.0 1.8 5.5 539 459 A 1 MET HGy A 73 GLN HE2y 1.0 1.8 5.5 540 459 A 73 GLN HE2x A 1 MET HGx 1.0 1.8 5.5 541 459 A 1 MET HGy A 73 GLN HE2x 1.0 1.8 5.5 542 460 A 54 LEU HD1% A 2 PHE HBx 1.0 1.8 5.0 543 460 A 54 LEU HD1% A 2 PHE HBy 1.0 1.8 5.0 544 461 A 54 LEU HD2% A 2 PHE HBx 1.0 1.8 5.5 545 461 A 54 LEU HD2% A 2 PHE HBy 1.0 1.8 5.5 546 462 A 61 ILE HD1% A 2 PHE HBx 1.0 1.8 5.5 547 462 A 61 ILE HD1% A 2 PHE HBy 1.0 1.8 5.5 548 463 A 2 PHE HD% A 28 LEU HD1% 1.0 1.8 5.5 549 464 A 2 PHE HD% A 4 LEU HD1% 1.0 1.8 5.0 550 465 A 54 LEU HD1% A 2 PHE HD% 1.0 1.8 5.0 551 466 A 54 LEU HD2% A 2 PHE HD% 1.0 1.8 5.5 552 467 A 2 PHE HD% A 61 ILE HD1% 1.0 1.8 5.0 553 468 A 61 ILE HG2% A 2 PHE HD% 1.0 1.8 5.5 554 469 A 2 PHE HD% A 63 ILE HD1% 1.0 1.8 5.5 555 470 A 2 PHE HD% A 71 LEU HD2% 1.0 1.8 5.5 556 471 A 74 THR HB A 2 PHE HD% 1.0 1.8 5.5 557 472 A 74 THR HG2% A 2 PHE HD% 1.0 1.8 5.5 558 473 A 28 LEU HD1% A 2 PHE HE% 1.0 1.8 5.5 559 474 A 28 LEU HD2% A 2 PHE HE% 1.0 1.8 5.5 560 475 A 2 PHE HE% A 42 MET HE% 1.0 1.8 5.5 561 476 A 4 LEU HD1% A 2 PHE HE% 1.0 1.8 5.0 562 477 A 4 LEU HD2% A 2 PHE HE% 1.0 1.8 5.5 563 478 A 4 LEU HG A 2 PHE HE% 1.0 1.8 5.5 564 479 A 61 ILE HD1% A 2 PHE HE% 1.0 1.8 5.5 565 480 A 61 ILE HG2% A 2 PHE HE% 1.0 1.8 5.5 566 481 A 71 LEU HD1% A 2 PHE HE% 1.0 1.8 5.5 567 482 A 71 LEU HD2% A 2 PHE HE% 1.0 1.8 5.0 568 483 A 74 THR HG2% A 2 PHE HE% 1.0 1.8 5.5 569 484 A 2 PHE HE% A 76 LEU HBx 1.0 1.8 5.0 570 484 A 2 PHE HE% A 76 LEU HBy 1.0 1.8 5.0 571 485 A 76 LEU HD1% A 2 PHE HE% 1.0 1.8 5.0 572 486 A 2 PHE HE% A 76 LEU HD2% 1.0 1.8 5.5 573 487 A 28 LEU HD1% A 2 PHE HZ 1.0 1.8 5.5 574 488 A 28 LEU HD2% A 2 PHE HZ 1.0 1.8 5.5 575 489 A 2 PHE HZ A 42 MET HBx 1.0 1.8 5.5 576 489 A 2 PHE HZ A 42 MET HBy 1.0 1.8 5.5 577 490 A 42 MET HE% A 2 PHE HZ 1.0 1.8 5.5 578 491 A 2 PHE HZ A 42 MET HGx 1.0 1.8 5.5 579 491 A 2 PHE HZ A 42 MET HGy 1.0 1.8 5.5 580 492 A 76 LEU HD1% A 2 PHE HZ 1.0 1.8 5.5 581 493 A 76 LEU HD2% A 2 PHE HZ 1.0 1.8 5.5 582 494 A 75 THR HG2% A 3 LYS HBx 1.0 1.8 5.0 583 494 A 75 THR HG2% A 3 LYS HBy 1.0 1.8 5.0 584 495 A 75 THR HG2% A 3 LYS HDx 1.0 1.8 5.0 585 495 A 75 THR HG2% A 3 LYS HDy 1.0 1.8 5.0 586 496 A 75 THR HG2% A 3 LYS HEx 1.0 1.8 5.5 587 496 A 75 THR HG2% A 3 LYS HEy 1.0 1.8 5.5 588 497 A 75 THR HG2% A 3 LYS HGx 1.0 1.8 5.0 589 497 A 3 LYS HGy A 75 THR HG2% 1.0 1.8 5.0 590 498 A 4 LEU HBy A 56 SER HBx 1.0 1.8 5.5 591 498 A 4 LEU HBx A 56 SER HBx 1.0 1.8 5.5 592 498 A 56 SER HBy A 4 LEU HBx 1.0 1.8 5.5 593 498 A 56 SER HBy A 4 LEU HBy 1.0 1.8 5.5 594 499 A 61 ILE HD1% A 4 LEU HBx 1.0 1.8 5.5 595 499 A 4 LEU HBy A 61 ILE HD1% 1.0 1.8 5.5 596 500 A 4 LEU HBy A 76 LEU HBx 1.0 1.8 5.5 597 500 A 4 LEU HBx A 76 LEU HBx 1.0 1.8 5.5 598 500 A 76 LEU HBy A 4 LEU HBx 1.0 1.8 5.5 599 500 A 4 LEU HBy A 76 LEU HBy 1.0 1.8 5.5 600 501 A 8 ALA HB% A 4 LEU HBx 1.0 1.8 5.5 601 501 A 8 ALA HB% A 4 LEU HBy 1.0 1.8 5.5 602 502 A 9 ALA HB% A 4 LEU HBx 1.0 1.8 5.5 603 502 A 9 ALA HB% A 4 LEU HBy 1.0 1.8 5.5 604 503 A 4 LEU HD1% A 26 LEU HD2% 1.0 1.8 5.0 605 504 A 28 LEU HD2% A 4 LEU HD1% 1.0 1.8 5.5 606 505 A 4 LEU HD1% A 56 SER HBx 1.0 1.8 5.5 607 505 A 56 SER HBy A 4 LEU HD1% 1.0 1.8 5.5 608 506 A 4 LEU HD1% A 59 VAL HB 1.0 1.8 5.0 609 507 A 4 LEU HD1% A 61 ILE HD1% 1.0 1.8 5.0 610 508 A 4 LEU HD1% A 76 LEU HD2% 1.0 1.8 5.0 611 509 A 8 ALA HB% A 4 LEU HD1% 1.0 1.8 5.0 612 510 A 9 ALA HB% A 4 LEU HD1% 1.0 1.8 5.0 613 511 A 4 LEU HD2% A 26 LEU HD2% 1.0 1.8 5.5 614 512 A 4 LEU HD2% A 42 MET HE% 1.0 1.8 5.5 615 513 A 4 LEU HD2% A 59 VAL HB 1.0 1.8 5.0 616 514 A 4 LEU HD2% A 76 LEU HBx 1.0 1.8 5.5 617 514 A 4 LEU HD2% A 76 LEU HBy 1.0 1.8 5.5 618 515 A 4 LEU HD2% A 76 LEU HD2% 1.0 1.8 5.0 619 516 A 4 LEU HD2% A 8 ALA HB% 1.0 1.8 5.0 620 517 A 4 LEU HD2% A 9 ALA HB% 1.0 1.8 5.0 621 518 A 4 LEU HG A 56 SER HBx 1.0 1.8 5.5 622 518 A 4 LEU HG A 56 SER HBy 1.0 1.8 5.5 623 519 A 4 LEU HG A 61 ILE HD1% 1.0 1.8 5.0 624 520 A 4 LEU HG A 76 LEU HD2% 1.0 1.8 5.0 625 521 A 7 ALA HB% A 5 THR HG1 1.0 1.8 5.5 626 522 A 8 ALA HB% A 5 THR HG1 1.0 1.8 5.0 627 523 A 75 THR HG2% A 5 THR HG2% 1.0 1.8 5.0 628 524 A 5 THR HG2% A 77 ASP HBx 1.0 1.8 5.0 629 524 A 77 ASP HBy A 5 THR HG2% 1.0 1.8 5.0 630 525 A 7 ALA HB% A 5 THR HG2% 1.0 1.8 5.5 631 526 A 8 ALA HB% A 5 THR HG2% 1.0 1.8 5.0 632 527 A 7 ALA HB% A 10 GLU HBx 1.0 1.8 5.5 633 527 A 7 ALA HB% A 10 GLU HBy 1.0 1.8 5.5 634 528 A 7 ALA HB% A 78 TYR HBx 1.0 1.8 5.5 635 528 A 7 ALA HB% A 78 TYR HBy 1.0 1.8 5.5 636 529 A 12 VAL HG2% A 8 ALA HB% 1.0 1.8 5.0 637 530 A 8 ALA HB% A 76 LEU HBx 1.0 1.8 5.5 638 530 A 8 ALA HB% A 76 LEU HBy 1.0 1.8 5.5 639 531 A 76 LEU HD1% A 8 ALA HB% 1.0 1.8 5.0 640 532 A 8 ALA HB% A 76 LEU HD2% 1.0 1.8 5.0 641 533 A 76 LEU HG A 8 ALA HB% 1.0 1.8 5.0 642 534 A 8 ALA HB% A 78 TYR HBx 1.0 1.8 5.5 643 534 A 8 ALA HB% A 78 TYR HBy 1.0 1.8 5.5 644 535 A 8 ALA HB% A 78 TYR HE% 1.0 1.8 5.5 645 536 A 88 PHE HD% A 8 ALA HB% 1.0 1.8 5.0 646 537 A 8 ALA HB% A 88 PHE HE% 1.0 1.8 5.0 647 538 A 9 ALA HB% A 57 GLU HBx 1.0 1.8 5.0 648 538 A 57 GLU HBy A 9 ALA HB% 1.0 1.8 5.0 649 539 A 9 ALA HB% A 57 GLU HGx 1.0 1.8 5.0 650 539 A 9 ALA HB% A 57 GLU HGy 1.0 1.8 5.0 651 540 A 9 ALA HB% A 59 VAL HB 1.0 1.8 5.5 652 541 A 59 VAL HG1% A 9 ALA HB% 1.0 1.8 5.0 653 542 A 59 VAL HG2% A 9 ALA HB% 1.0 1.8 5.0 654 543 A 13 LEU HD1% A 10 GLU HGx 1.0 1.8 5.5 655 543 A 10 GLU HGy A 13 LEU HD1% 1.0 1.8 5.5 656 544 A 10 GLU HGy A 13 LEU HBx 1.0 1.8 5.5 657 544 A 10 GLU HGx A 13 LEU HBx 1.0 1.8 5.5 658 544 A 13 LEU HBy A 10 GLU HGx 1.0 1.8 5.5 659 544 A 10 GLU HGy A 13 LEU HBy 1.0 1.8 5.5 660 545 A 78 TYR HE% A 11 GLN HBx 1.0 1.8 5.5 661 545 A 11 GLN HBy A 78 TYR HE% 1.0 1.8 5.5 662 546 A 78 TYR HE% A 11 GLN HE2y 1.0 1.8 5.5 663 546 A 78 TYR HE% A 11 GLN HE2x 1.0 1.8 5.5 664 547 A 15 ALA HB% A 11 GLN HGx 1.0 1.8 5.5 665 547 A 15 ALA HB% A 11 GLN HGy 1.0 1.8 5.5 666 548 A 88 PHE HE% A 11 GLN HGx 1.0 1.8 5.0 667 548 A 11 GLN HGy A 88 PHE HE% 1.0 1.8 5.0 668 549 A 88 PHE HZ A 11 GLN HGx 1.0 1.8 5.0 669 549 A 11 GLN HGy A 88 PHE HZ 1.0 1.8 5.0 670 550 A 12 VAL HB A 59 VAL HG1% 1.0 1.8 5.0 671 551 A 12 VAL HG1% A 15 ALA HB% 1.0 1.8 5.5 672 552 A 12 VAL HG1% A 26 LEU HD1% 1.0 1.8 5.0 673 553 A 12 VAL HG1% A 26 LEU HD2% 1.0 1.8 5.0 674 554 A 12 VAL HG1% A 42 MET HE% 1.0 1.8 5.0 675 555 A 12 VAL HG1% A 44 PHE HE% 1.0 1.8 5.0 676 556 A 12 VAL HG1% A 44 PHE HZ 1.0 1.8 5.0 677 557 A 12 VAL HG2% A 15 ALA HB% 1.0 1.8 5.5 678 558 A 12 VAL HG2% A 26 LEU HD1% 1.0 1.8 5.5 679 559 A 12 VAL HG2% A 42 MET HE% 1.0 1.8 5.0 680 560 A 12 VAL HG2% A 76 LEU HD2% 1.0 1.8 5.5 681 561 A 12 VAL HG2% A 88 PHE HD% 1.0 1.8 5.5 682 562 A 12 VAL HG2% A 88 PHE HE% 1.0 1.8 5.5 683 563 A 12 VAL HG2% A 88 PHE HZ 1.0 1.8 5.0 684 564 A 13 LEU HD2% A 17 LYS HDx 1.0 1.8 5.0 685 564 A 17 LYS HDy A 13 LEU HD2% 1.0 1.8 5.0 686 565 A 16 ALA HB% A 13 LEU HD2% 1.0 1.8 5.5 687 566 A 14 LYS HBy A 18 GLN HGx 1.0 1.8 5.5 688 566 A 18 GLN HGy A 14 LYS HBx 1.0 1.8 5.5 689 566 A 14 LYS HBy A 18 GLN HGy 1.0 1.8 5.5 690 566 A 14 LYS HBx A 18 GLN HGx 1.0 1.8 5.5 691 567 A 14 LYS HGx A 18 GLN HGx 1.0 1.8 5.5 692 567 A 14 LYS HGy A 18 GLN HGx 1.0 1.8 5.5 693 567 A 18 GLN HGy A 14 LYS HGx 1.0 1.8 5.5 694 567 A 14 LYS HGy A 18 GLN HGy 1.0 1.8 5.5 695 568 A 15 ALA HB% A 18 GLN HGx 1.0 1.8 5.5 696 568 A 15 ALA HB% A 18 GLN HGy 1.0 1.8 5.5 697 569 A 15 ALA HB% A 44 PHE HE% 1.0 1.8 5.0 698 570 A 15 ALA HB% A 44 PHE HZ 1.0 1.8 5.0 699 571 A 16 ALA HB% A 22 GLU HBx 1.0 1.8 5.5 700 571 A 16 ALA HB% A 22 GLU HBy 1.0 1.8 5.5 701 572 A 16 ALA HB% A 22 GLU HGx 1.0 1.8 5.0 702 572 A 16 ALA HB% A 22 GLU HGy 1.0 1.8 5.0 703 573 A 16 ALA HB% A 44 PHE HE% 1.0 1.8 5.5 704 574 A 21 THR HB A 24 MET HBx 1.0 1.8 5.5 705 574 A 21 THR HB A 24 MET HBy 1.0 1.8 5.5 706 575 A 24 MET HE% A 21 THR HB 1.0 1.8 5.0 707 576 A 21 THR HB A 24 MET HGx 1.0 1.8 5.5 708 576 A 24 MET HGy A 21 THR HB 1.0 1.8 5.5 709 577 A 21 THR HG2% A 24 MET HBx 1.0 1.8 5.5 710 577 A 21 THR HG2% A 24 MET HBy 1.0 1.8 5.5 711 578 A 21 THR HG2% A 24 MET HE% 1.0 1.8 5.0 712 579 A 21 THR HG2% A 24 MET HGx 1.0 1.8 5.5 713 579 A 21 THR HG2% A 24 MET HGy 1.0 1.8 5.5 714 580 A 21 THR HG2% A 44 PHE HBx 1.0 1.8 5.5 715 580 A 21 THR HG2% A 44 PHE HBy 1.0 1.8 5.5 716 581 A 21 THR HG2% A 44 PHE HD% 1.0 1.8 5.5 717 582 A 21 THR HG2% A 44 PHE HE% 1.0 1.8 5.5 718 583 A 24 MET HBx A 44 PHE HBx 1.0 1.8 5.5 719 583 A 24 MET HBy A 44 PHE HBx 1.0 1.8 5.5 720 583 A 44 PHE HBy A 24 MET HBx 1.0 1.8 5.5 721 583 A 24 MET HBy A 44 PHE HBy 1.0 1.8 5.5 722 584 A 24 MET HE% A 44 PHE HBx 1.0 1.8 5.0 723 584 A 24 MET HE% A 44 PHE HBy 1.0 1.8 5.0 724 585 A 24 MET HE% A 46 ASP HBx 1.0 1.8 5.5 725 585 A 24 MET HE% A 46 ASP HBy 1.0 1.8 5.5 726 586 A 62 VAL HG1% A 25 CYS HBx 1.0 1.8 5.0 727 586 A 62 VAL HG1% A 25 CYS HBy 1.0 1.8 5.0 728 587 A 62 VAL HG2% A 25 CYS HBx 1.0 1.8 5.0 729 587 A 62 VAL HG2% A 25 CYS HBy 1.0 1.8 5.0 730 588 A 59 VAL HG1% A 26 LEU HBx 1.0 1.8 5.5 731 588 A 59 VAL HG1% A 26 LEU HBy 1.0 1.8 5.5 732 589 A 26 LEU HBy A 60 GLU HBx 1.0 1.8 5.5 733 589 A 26 LEU HBx A 60 GLU HBx 1.0 1.8 5.5 734 589 A 60 GLU HBy A 26 LEU HBx 1.0 1.8 5.5 735 589 A 26 LEU HBy A 60 GLU HBy 1.0 1.8 5.5 736 590 A 26 LEU HBy A 60 GLU HGx 1.0 1.8 5.5 737 590 A 26 LEU HBx A 60 GLU HGx 1.0 1.8 5.5 738 590 A 60 GLU HGy A 26 LEU HBx 1.0 1.8 5.5 739 590 A 60 GLU HGy A 26 LEU HBy 1.0 1.8 5.5 740 591 A 61 ILE HD1% A 26 LEU HBx 1.0 1.8 5.5 741 591 A 61 ILE HD1% A 26 LEU HBy 1.0 1.8 5.5 742 592 A 26 LEU HBx A 61 ILE HG1x 1.0 1.8 5.5 743 592 A 26 LEU HBy A 61 ILE HG1x 1.0 1.8 5.5 744 592 A 61 ILE HG1y A 26 LEU HBx 1.0 1.8 5.5 745 592 A 61 ILE HG1y A 26 LEU HBy 1.0 1.8 5.5 746 593 A 26 LEU HD1% A 28 LEU HD2% 1.0 1.8 5.0 747 594 A 26 LEU HD1% A 42 MET HBx 1.0 1.8 5.0 748 594 A 26 LEU HD1% A 42 MET HBy 1.0 1.8 5.0 749 595 A 26 LEU HD1% A 42 MET HE% 1.0 1.8 5.0 750 596 A 26 LEU HD1% A 42 MET HGx 1.0 1.8 5.5 751 596 A 26 LEU HD1% A 42 MET HGy 1.0 1.8 5.5 752 597 A 26 LEU HD1% A 44 PHE HD% 1.0 1.8 5.5 753 598 A 26 LEU HD1% A 44 PHE HE% 1.0 1.8 5.5 754 599 A 26 LEU HD1% A 61 ILE HG2% 1.0 1.8 5.5 755 600 A 26 LEU HD2% A 28 LEU HD1% 1.0 1.8 5.0 756 601 A 28 LEU HD2% A 26 LEU HD2% 1.0 1.8 5.0 757 602 A 26 LEU HD2% A 28 LEU HG 1.0 1.8 5.5 758 603 A 26 LEU HD2% A 42 MET HE% 1.0 1.8 5.0 759 604 A 26 LEU HD2% A 61 ILE HD1% 1.0 1.8 5.0 760 605 A 26 LEU HD2% A 63 ILE HD1% 1.0 1.8 5.5 761 606 A 27 ARG HBx A 45 ASP HBx 1.0 1.8 5.5 762 606 A 27 ARG HBy A 45 ASP HBx 1.0 1.8 5.5 763 606 A 45 ASP HBy A 27 ARG HBx 1.0 1.8 5.5 764 606 A 27 ARG HBy A 45 ASP HBy 1.0 1.8 5.5 765 607 A 62 VAL HG2% A 27 ARG HBx 1.0 1.8 5.0 766 607 A 62 VAL HG2% A 27 ARG HBy 1.0 1.8 5.0 767 608 A 62 VAL HG2% A 27 ARG HE 1.0 1.8 5.5 768 609 A 63 ILE HD1% A 28 LEU HBx 1.0 1.8 5.5 769 609 A 63 ILE HD1% A 28 LEU HBy 1.0 1.8 5.5 770 610 A 63 ILE HG2% A 28 LEU HBx 1.0 1.8 5.5 771 610 A 63 ILE HG2% A 28 LEU HBy 1.0 1.8 5.5 772 611 A 71 LEU HD1% A 28 LEU HBx 1.0 1.8 5.5 773 611 A 71 LEU HD1% A 28 LEU HBy 1.0 1.8 5.5 774 612 A 28 LEU HD1% A 42 MET HBx 1.0 1.8 5.5 775 612 A 28 LEU HD1% A 42 MET HBy 1.0 1.8 5.5 776 613 A 61 ILE HD1% A 28 LEU HD1% 1.0 1.8 5.0 777 614 A 28 LEU HD1% A 61 ILE HG1x 1.0 1.8 5.5 778 614 A 61 ILE HG1y A 28 LEU HD1% 1.0 1.8 5.5 779 615 A 61 ILE HG2% A 28 LEU HD1% 1.0 1.8 5.0 780 616 A 63 ILE HD1% A 28 LEU HD1% 1.0 1.8 5.0 781 617 A 28 LEU HD1% A 63 ILE HG1x 1.0 1.8 5.5 782 617 A 63 ILE HG1y A 28 LEU HD1% 1.0 1.8 5.5 783 618 A 28 LEU HD1% A 71 LEU HBx 1.0 1.8 5.5 784 618 A 71 LEU HBy A 28 LEU HD1% 1.0 1.8 5.5 785 619 A 28 LEU HD1% A 71 LEU HD2% 1.0 1.8 5.0 786 620 A 28 LEU HD2% A 42 MET HBx 1.0 1.8 5.0 787 620 A 28 LEU HD2% A 42 MET HBy 1.0 1.8 5.0 788 621 A 28 LEU HD2% A 42 MET HE% 1.0 1.8 5.0 789 622 A 28 LEU HD2% A 42 MET HGx 1.0 1.8 5.0 790 622 A 28 LEU HD2% A 42 MET HGy 1.0 1.8 5.0 791 623 A 28 LEU HD2% A 61 ILE HG2% 1.0 1.8 5.0 792 624 A 28 LEU HD2% A 76 LEU HD2% 1.0 1.8 5.5 793 625 A 29 ALA HB% A 41 ARG HBx 1.0 1.8 5.0 794 625 A 29 ALA HB% A 41 ARG HBy 1.0 1.8 5.0 795 626 A 29 ALA HB% A 41 ARG HDx 1.0 1.8 5.5 796 626 A 29 ALA HB% A 41 ARG HDy 1.0 1.8 5.5 797 627 A 29 ALA HB% A 41 ARG HGx 1.0 1.8 5.0 798 627 A 41 ARG HGy A 29 ALA HB% 1.0 1.8 5.0 799 628 A 67 TYR HD% A 29 ALA HB% 1.0 1.8 5.0 800 629 A 67 TYR HE% A 29 ALA HB% 1.0 1.8 5.0 801 630 A 38 ILE HG2% A 30 ALA HB% 1.0 1.8 5.0 802 631 A 30 ALA HB% A 40 TYR HD% 1.0 1.8 5.0 803 632 A 30 ALA HB% A 40 TYR HE% 1.0 1.8 5.0 804 633 A 30 ALA HB% A 67 TYR HD% 1.0 1.8 5.5 805 634 A 30 ALA HB% A 67 TYR HE% 1.0 1.8 5.5 806 635 A 30 ALA HB% A 70 LEU HBx 1.0 1.8 5.5 807 635 A 30 ALA HB% A 70 LEU HBy 1.0 1.8 5.5 808 636 A 30 ALA HB% A 71 LEU HD1% 1.0 1.8 5.0 809 637 A 30 ALA HB% A 71 LEU HG 1.0 1.8 5.5 810 638 A 70 LEU HD1% A 32 ARG HBx 1.0 1.8 5.5 811 638 A 70 LEU HD1% A 32 ARG HBy 1.0 1.8 5.5 812 639 A 70 LEU HD2% A 32 ARG HBx 1.0 1.8 5.5 813 639 A 32 ARG HBy A 70 LEU HD2% 1.0 1.8 5.5 814 640 A 70 LEU HD2% A 32 ARG HDx 1.0 1.8 5.0 815 640 A 32 ARG HDy A 70 LEU HD2% 1.0 1.8 5.0 816 641 A 32 ARG HGy A 38 ILE HG1x 1.0 1.8 5.5 817 641 A 32 ARG HGx A 38 ILE HG1x 1.0 1.8 5.5 818 641 A 38 ILE HG1y A 32 ARG HGx 1.0 1.8 5.5 819 641 A 32 ARG HGy A 38 ILE HG1y 1.0 1.8 5.5 820 642 A 70 LEU HD2% A 32 ARG HGx 1.0 1.8 5.0 821 642 A 32 ARG HGy A 70 LEU HD2% 1.0 1.8 5.0 822 643 A 33 ASN HD2x A 39 ASP HBx 1.0 1.8 5.5 823 643 A 33 ASN HD2y A 39 ASP HBx 1.0 1.8 5.5 824 643 A 39 ASP HBy A 33 ASN HD2y 1.0 1.8 5.5 825 643 A 33 ASN HD2x A 39 ASP HBy 1.0 1.8 5.5 826 644 A 38 ILE HB A 40 TYR HE% 1.0 1.8 5.5 827 645 A 38 ILE HD1% A 70 LEU HD2% 1.0 1.8 5.0 828 646 A 38 ILE HD1% A 94 ARG HGx 1.0 1.8 5.5 829 646 A 38 ILE HD1% A 94 ARG HGy 1.0 1.8 5.5 830 647 A 70 LEU HD1% A 38 ILE HG1x 1.0 1.8 5.5 831 647 A 38 ILE HG1y A 70 LEU HD1% 1.0 1.8 5.5 832 648 A 38 ILE HG2% A 40 TYR HD% 1.0 1.8 5.0 833 649 A 38 ILE HG2% A 40 TYR HE% 1.0 1.8 5.0 834 650 A 38 ILE HG2% A 70 LEU HD1% 1.0 1.8 5.0 835 651 A 38 ILE HG2% A 70 LEU HD2% 1.0 1.8 5.0 836 652 A 71 LEU HD2% A 40 TYR HD% 1.0 1.8 5.0 837 653 A 74 THR HG2% A 40 TYR HD% 1.0 1.8 5.5 838 654 A 40 TYR HD% A 90 PHE HBx 1.0 1.8 5.5 839 654 A 90 PHE HBy A 40 TYR HD% 1.0 1.8 5.5 840 655 A 71 LEU HD2% A 40 TYR HE% 1.0 1.8 5.0 841 656 A 74 THR HG2% A 40 TYR HE% 1.0 1.8 5.5 842 657 A 40 TYR HE% A 90 PHE HBx 1.0 1.8 5.5 843 657 A 90 PHE HBy A 40 TYR HE% 1.0 1.8 5.5 844 658 A 76 LEU HD1% A 42 MET HE% 1.0 1.8 5.0 845 659 A 42 MET HE% A 76 LEU HD2% 1.0 1.8 5.0 846 660 A 88 PHE HD% A 42 MET HE% 1.0 1.8 5.5 847 661 A 88 PHE HE% A 42 MET HE% 1.0 1.8 5.5 848 662 A 42 MET HE% A 88 PHE HZ 1.0 1.8 5.0 849 663 A 62 VAL HG2% A 45 ASP HBx 1.0 1.8 5.5 850 663 A 62 VAL HG2% A 45 ASP HBy 1.0 1.8 5.5 851 664 A 62 VAL HG1% A 47 LEU HBx 1.0 1.8 5.0 852 664 A 62 VAL HG1% A 47 LEU HBy 1.0 1.8 5.0 853 665 A 47 LEU HD1% A 53 ARG HDx 1.0 1.8 5.0 854 665 A 47 LEU HD1% A 53 ARG HDy 1.0 1.8 5.0 855 666 A 47 LEU HD2% A 51 ASP HBy 1.0 1.8 5.5 856 666 A 47 LEU HD2% A 51 ASP HBx 1.0 1.8 5.5 857 667 A 47 LEU HD2% A 53 ARG HBx 1.0 1.8 5.0 858 667 A 47 LEU HD2% A 53 ARG HBy 1.0 1.8 5.0 859 668 A 47 LEU HD2% A 53 ARG HDx 1.0 1.8 5.0 860 668 A 47 LEU HD2% A 53 ARG HDy 1.0 1.8 5.0 861 669 A 62 VAL HB A 51 ASP HBy 1.0 1.8 5.0 862 669 A 62 VAL HB A 51 ASP HBx 1.0 1.8 5.0 863 670 A 62 VAL HG1% A 51 ASP HBy 1.0 1.8 5.5 864 670 A 62 VAL HG1% A 51 ASP HBx 1.0 1.8 5.5 865 671 A 62 VAL HG2% A 51 ASP HBx 1.0 1.8 5.5 866 672 A 52 ILE HD1% A 65 PRO HBx 1.0 1.8 5.0 867 672 A 52 ILE HD1% A 65 PRO HBy 1.0 1.8 5.0 868 673 A 52 ILE HD1% A 65 PRO HDy 1.0 1.8 5.5 869 673 A 52 ILE HD1% A 65 PRO HDx 1.0 1.8 5.5 870 674 A 52 ILE HD1% A 65 PRO HGx 1.0 1.8 5.0 871 674 A 52 ILE HD1% A 65 PRO HGy 1.0 1.8 5.0 872 675 A 52 ILE HD1% A 68 VAL HG1% 1.0 1.8 5.0 873 676 A 52 ILE HD1% A 68 VAL HG2% 1.0 1.8 5.0 874 677 A 68 VAL HG1% A 52 ILE HG1x 1.0 1.8 5.0 875 677 A 52 ILE HG1y A 68 VAL HG1% 1.0 1.8 5.0 876 678 A 68 VAL HG2% A 52 ILE HG1x 1.0 1.8 5.0 877 678 A 52 ILE HG1y A 68 VAL HG2% 1.0 1.8 5.0 878 679 A 52 ILE HG2% A 63 ILE HD1% 1.0 1.8 5.0 879 680 A 52 ILE HG2% A 68 VAL HG2% 1.0 1.8 5.0 880 681 A 62 VAL HG1% A 53 ARG HBx 1.0 1.8 5.5 881 681 A 62 VAL HG1% A 53 ARG HBy 1.0 1.8 5.5 882 682 A 62 VAL HG1% A 53 ARG HGx 1.0 1.8 5.0 883 682 A 53 ARG HGy A 62 VAL HG1% 1.0 1.8 5.0 884 683 A 61 ILE HD1% A 54 LEU HBx 1.0 1.8 5.0 885 683 A 61 ILE HD1% A 54 LEU HBy 1.0 1.8 5.0 886 684 A 61 ILE HG2% A 54 LEU HBx 1.0 1.8 5.0 887 684 A 61 ILE HG2% A 54 LEU HBy 1.0 1.8 5.0 888 685 A 54 LEU HD1% A 61 ILE HG2% 1.0 1.8 5.0 889 686 A 54 LEU HD1% A 63 ILE HD1% 1.0 1.8 5.0 890 687 A 54 LEU HD2% A 61 ILE HG2% 1.0 1.8 5.0 891 688 A 54 LEU HD2% A 63 ILE HD1% 1.0 1.8 5.0 892 689 A 55 THR HG2% A 60 GLU HGx 1.0 1.8 5.0 893 689 A 55 THR HG2% A 60 GLU HGy 1.0 1.8 5.0 894 690 A 61 ILE HD1% A 56 SER HBx 1.0 1.8 5.0 895 690 A 56 SER HBy A 61 ILE HD1% 1.0 1.8 5.0 896 691 A 61 ILE HD1% A 59 VAL HB 1.0 1.8 5.5 897 692 A 62 VAL HG1% A 60 GLU HBx 1.0 1.8 5.5 898 692 A 62 VAL HG1% A 60 GLU HBy 1.0 1.8 5.5 899 693 A 62 VAL HG1% A 60 GLU HGx 1.0 1.8 5.5 900 693 A 60 GLU HGy A 62 VAL HG1% 1.0 1.8 5.5 901 694 A 62 VAL HG2% A 60 GLU HGx 1.0 1.8 5.5 902 694 A 60 GLU HGy A 62 VAL HG2% 1.0 1.8 5.5 903 695 A 61 ILE HB A 63 ILE HD1% 1.0 1.8 5.5 904 696 A 63 ILE HD1% A 61 ILE HD1% 1.0 1.8 5.5 905 697 A 61 ILE HG2% A 63 ILE HD1% 1.0 1.8 5.0 906 698 A 61 ILE HG2% A 63 ILE HG1x 1.0 1.8 5.5 907 698 A 61 ILE HG2% A 63 ILE HG1y 1.0 1.8 5.5 908 699 A 68 VAL HG2% A 63 ILE HB 1.0 1.8 5.5 909 700 A 68 VAL HG2% A 63 ILE HD1% 1.0 1.8 5.5 910 701 A 63 ILE HD1% A 71 LEU HD1% 1.0 1.8 5.0 911 702 A 63 ILE HG2% A 67 TYR HBx 1.0 1.8 5.0 912 702 A 63 ILE HG2% A 67 TYR HBy 1.0 1.8 5.0 913 703 A 63 ILE HG2% A 67 TYR HD% 1.0 1.8 5.0 914 704 A 63 ILE HG2% A 67 TYR HE% 1.0 1.8 5.5 915 705 A 68 VAL HB A 63 ILE HG2% 1.0 1.8 5.5 916 706 A 63 ILE HG2% A 68 VAL HG2% 1.0 1.8 5.0 917 707 A 63 ILE HG2% A 71 LEU HD1% 1.0 1.8 5.0 918 708 A 64 ALA HB% A 67 TYR HD% 1.0 1.8 5.0 919 709 A 64 ALA HB% A 67 TYR HE% 1.0 1.8 5.0 920 710 A 68 VAL HG2% A 65 PRO HBx 1.0 1.8 5.5 921 710 A 68 VAL HG2% A 65 PRO HBy 1.0 1.8 5.5 922 711 A 71 LEU HD1% A 67 TYR HBx 1.0 1.8 5.0 923 711 A 71 LEU HD1% A 67 TYR HBy 1.0 1.8 5.0 924 712 A 71 LEU HD1% A 67 TYR HD% 1.0 1.8 5.5 925 713 A 68 VAL HG1% A 72 ASP HBx 1.0 1.8 5.5 926 713 A 68 VAL HG1% A 72 ASP HBy 1.0 1.8 5.5 927 714 A 74 THR HG2% A 71 LEU HD2% 1.0 1.8 5.0 928 715 A 71 LEU HD2% A 90 PHE HD% 1.0 1.8 5.5 929 716 A 74 THR HG2% A 90 PHE HBx 1.0 1.8 5.0 930 716 A 74 THR HG2% A 90 PHE HBy 1.0 1.8 5.0 931 717 A 74 THR HG2% A 90 PHE HD% 1.0 1.8 5.0 932 718 A 74 THR HG2% A 92 ASN HD2y 1.0 1.8 5.5 933 718 A 74 THR HG2% A 92 ASN HD2x 1.0 1.8 5.5 934 719 A 75 THR HB A 91 LEU HBx 1.0 1.8 5.0 935 719 A 75 THR HB A 91 LEU HBy 1.0 1.8 5.0 936 720 A 75 THR HB A 91 LEU HD1% 1.0 1.8 5.0 937 721 A 91 LEU HG A 75 THR HB 1.0 1.8 5.0 938 722 A 75 THR HG2% A 77 ASP HBx 1.0 1.8 5.5 939 722 A 75 THR HG2% A 77 ASP HBy 1.0 1.8 5.5 940 723 A 75 THR HG2% A 91 LEU HBx 1.0 1.8 5.5 941 723 A 75 THR HG2% A 91 LEU HBy 1.0 1.8 5.5 942 724 A 76 LEU HD1% A 88 PHE HBx 1.0 1.8 5.0 943 724 A 76 LEU HD1% A 88 PHE HBy 1.0 1.8 5.0 944 725 A 76 LEU HD1% A 88 PHE HD% 1.0 1.8 5.0 945 726 A 88 PHE HD% A 76 LEU HD2% 1.0 1.8 5.5 946 727 A 88 PHE HE% A 76 LEU HD2% 1.0 1.8 5.5 947 728 A 76 LEU HG A 88 PHE HD% 1.0 1.8 5.5 948 729 A 79 VAL HG1% A 77 ASP HBx 1.0 1.8 5.0 949 729 A 79 VAL HG1% A 77 ASP HBy 1.0 1.8 5.0 950 730 A 79 VAL HG2% A 77 ASP HBx 1.0 1.8 5.5 951 730 A 79 VAL HG2% A 77 ASP HBy 1.0 1.8 5.5 952 731 A 91 LEU HD1% A 77 ASP HBx 1.0 1.8 5.0 953 731 A 77 ASP HBy A 91 LEU HD1% 1.0 1.8 5.0 954 732 A 89 ILE HD1% A 77 ASP HBx 1.0 1.8 5.5 955 732 A 89 ILE HD1% A 77 ASP HBy 1.0 1.8 5.5 956 733 A 77 ASP HBy A 89 ILE HG1x 1.0 1.8 5.5 957 733 A 77 ASP HBx A 89 ILE HG1x 1.0 1.8 5.5 958 733 A 89 ILE HG1y A 77 ASP HBx 1.0 1.8 5.5 959 733 A 77 ASP HBy A 89 ILE HG1y 1.0 1.8 5.5 960 734 A 89 ILE HG2% A 77 ASP HBx 1.0 1.8 5.0 961 734 A 89 ILE HG2% A 77 ASP HBy 1.0 1.8 5.0 962 735 A 78 TYR HE% A 86 PHE HBx 1.0 1.8 5.5 963 735 A 78 TYR HE% A 86 PHE HBy 1.0 1.8 5.5 964 736 A 86 PHE HD% A 78 TYR HE% 1.0 1.8 5.0 965 737 A 79 VAL HB A 81 LEU HD2% 1.0 1.8 5.5 966 738 A 79 VAL HB A 89 ILE HD1% 1.0 1.8 5.5 967 739 A 79 VAL HB A 89 ILE HG2% 1.0 1.8 5.5 968 740 A 89 ILE HB A 79 VAL HG1% 1.0 1.8 5.5 969 741 A 79 VAL HG1% A 89 ILE HD1% 1.0 1.8 5.0 970 742 A 79 VAL HG1% A 89 ILE HG1x 1.0 1.8 5.0 971 742 A 79 VAL HG1% A 89 ILE HG1y 1.0 1.8 5.0 972 743 A 79 VAL HG2% A 87 HIS HD2 1.0 1.8 5.0 973 744 A 89 ILE HB A 79 VAL HG2% 1.0 1.8 5.5 974 745 A 79 VAL HG2% A 89 ILE HD1% 1.0 1.8 5.0 975 746 A 79 VAL HG2% A 89 ILE HG1x 1.0 1.8 5.0 976 746 A 79 VAL HG2% A 89 ILE HG1y 1.0 1.8 5.0 977 747 A 79 VAL HG2% A 89 ILE HG2% 1.0 1.8 5.0 978 748 A 86 PHE HE% A 80 GLU HBx 1.0 1.8 5.0 979 748 A 86 PHE HE% A 80 GLU HBy 1.0 1.8 5.0 980 749 A 87 HIS HD2 A 81 LEU HBx 1.0 1.8 5.0 981 749 A 87 HIS HD2 A 81 LEU HBy 1.0 1.8 5.0 982 750 A 81 LEU HBx A 85 GLN HBx 1.0 1.8 5.5 983 750 A 81 LEU HBy A 85 GLN HBx 1.0 1.8 5.5 984 750 A 85 GLN HBy A 81 LEU HBx 1.0 1.8 5.5 985 750 A 85 GLN HBy A 81 LEU HBy 1.0 1.8 5.5 986 751 A 81 LEU HBy A 87 HIS HBx 1.0 1.8 5.5 987 751 A 81 LEU HBx A 87 HIS HBx 1.0 1.8 5.5 988 751 A 87 HIS HBy A 81 LEU HBx 1.0 1.8 5.5 989 751 A 81 LEU HBy A 87 HIS HBy 1.0 1.8 5.5 990 752 A 81 LEU HD1% A 87 HIS HBx 1.0 1.8 5.5 991 752 A 81 LEU HD1% A 87 HIS HBy 1.0 1.8 5.5 992 753 A 81 LEU HD1% A 87 HIS HD2 1.0 1.8 5.5 993 754 A 81 LEU HD1% A 89 ILE HD1% 1.0 1.8 5.0 994 755 A 81 LEU HD1% A 89 ILE HG2% 1.0 1.8 5.0 995 756 A 89 ILE HB A 81 LEU HD2% 1.0 1.8 5.5 996 757 A 81 LEU HD2% A 89 ILE HG1x 1.0 1.8 5.5 997 757 A 81 LEU HD2% A 89 ILE HG1y 1.0 1.8 5.5 998 758 A 81 LEU HD2% A 89 ILE HG2% 1.0 1.8 5.0 999 759 A 81 LEU HG A 87 HIS HBx 1.0 1.8 5.0 1000 759 A 81 LEU HG A 87 HIS HBy 1.0 1.8 5.0 1001 760 A 82 GLU HBy A 85 GLN HBx 1.0 1.8 5.5 1002 760 A 82 GLU HBx A 85 GLN HBx 1.0 1.8 5.5 1003 760 A 85 GLN HBy A 82 GLU HBx 1.0 1.8 5.5 1004 760 A 85 GLN HBy A 82 GLU HBy 1.0 1.8 5.5 1005 761 A 82 GLU HBy A 85 GLN HGx 1.0 1.8 5.5 1006 761 A 82 GLU HBx A 85 GLN HGx 1.0 1.8 5.5 1007 761 A 85 GLN HGy A 82 GLU HBx 1.0 1.8 5.5 1008 761 A 85 GLN HGy A 82 GLU HBy 1.0 1.8 5.5 1009 762 A 82 GLU HGy A 85 GLN HBx 1.0 1.8 5.5 1010 762 A 82 GLU HGx A 85 GLN HBx 1.0 1.8 5.5 1011 762 A 85 GLN HBy A 82 GLU HGx 1.0 1.8 5.5 1012 762 A 85 GLN HBy A 82 GLU HGy 1.0 1.8 5.5 1013 763 A 82 GLU HGy A 85 GLN HGx 1.0 1.8 5.5 1014 763 A 82 GLU HGx A 85 GLN HGx 1.0 1.8 5.5 1015 763 A 85 GLN HGy A 82 GLU HGx 1.0 1.8 5.5 1016 763 A 85 GLN HGy A 82 GLU HGy 1.0 1.8 5.5 1017 764 A 83 PRO HDx A 85 GLN HBx 1.0 1.8 5.5 1018 764 A 83 PRO HDy A 85 GLN HBx 1.0 1.8 5.5 1019 764 A 85 GLN HBy A 83 PRO HDx 1.0 1.8 5.5 1020 764 A 85 GLN HBy A 83 PRO HDy 1.0 1.8 5.5 1021 765 A 89 ILE HG2% A 87 HIS HBx 1.0 1.8 5.5 1022 765 A 89 ILE HG2% A 87 HIS HBy 1.0 1.8 5.5 1023 766 A 89 ILE HD1% A 91 LEU HBx 1.0 1.8 5.5 1024 766 A 89 ILE HD1% A 91 LEU HBy 1.0 1.8 5.5 1025 767 A 91 LEU HD2% A 98 TYR HD% 1.0 1.8 5.0 1026 768 A 91 LEU HD2% A 98 TYR HE% 1.0 1.8 5.0 1027 769 A 1 MET HE% A 1 MET HGx 1.0 1.8 5.5 1028 769 A 1 MET HGy A 1 MET HE% 1.0 1.8 5.5 1029 770 A 1 MET H A 1 MET HGx 1.0 1.8 5.0 1030 770 A 1 MET H A 1 MET HGy 1.0 1.8 5.0 1031 771 A 2 PHE HA A 2 PHE HD% 1.0 1.8 5.5 1032 772 A 2 PHE HD% A 2 PHE HBx 1.0 1.8 5.5 1033 772 A 2 PHE HD% A 2 PHE HBy 1.0 1.8 5.5 1034 773 A 3 LYS HDy A 3 LYS H 1.0 1.8 5.5 1035 773 A 3 LYS H A 3 LYS HDx 1.0 1.8 5.5 1036 774 A 3 LYS HGy A 3 LYS H 1.0 1.8 5.5 1037 774 A 3 LYS H A 3 LYS HGx 1.0 1.8 5.5 1038 775 A 4 LEU HD1% A 4 LEU HBx 1.0 1.8 5.5 1039 775 A 4 LEU HBy A 4 LEU HD1% 1.0 1.8 5.5 1040 776 A 4 LEU HD2% A 4 LEU HBx 1.0 1.8 5.5 1041 776 A 4 LEU HD2% A 4 LEU HBy 1.0 1.8 5.5 1042 777 A 4 LEU H A 4 LEU HD1% 1.0 1.8 5.5 1043 778 A 4 LEU H A 4 LEU HD2% 1.0 1.8 5.5 1044 779 A 4 LEU H A 4 LEU HG 1.0 1.8 5.0 1045 780 A 5 THR HG1 A 5 THR HG2% 1.0 1.8 5.5 1046 781 A 5 THR HG1 A 5 THR H 1.0 1.8 5.0 1047 782 A 5 THR HG2% A 5 THR H 1.0 1.8 5.5 1048 783 A 10 GLU H A 10 GLU HGx 1.0 1.8 5.0 1049 783 A 10 GLU H A 10 GLU HGy 1.0 1.8 5.0 1050 784 A 11 GLN HE2x A 11 GLN HGx 1.0 1.8 5.0 1051 784 A 11 GLN HE2y A 11 GLN HGx 1.0 1.8 5.0 1052 784 A 11 GLN HGy A 11 GLN HE2y 1.0 1.8 5.0 1053 784 A 11 GLN HGy A 11 GLN HE2x 1.0 1.8 5.0 1054 785 A 11 GLN H A 11 GLN HGx 1.0 1.8 5.0 1055 785 A 11 GLN H A 11 GLN HGy 1.0 1.8 5.0 1056 786 A 12 VAL HB A 12 VAL H 1.0 1.8 3.5 1057 787 A 12 VAL HG1% A 12 VAL H 1.0 1.8 5.5 1058 788 A 12 VAL HG2% A 12 VAL H 1.0 1.8 5.5 1059 789 A 13 LEU HA A 13 LEU HD1% 1.0 1.8 5.5 1060 790 A 13 LEU HA A 13 LEU HD2% 1.0 1.8 4.0 1061 791 A 13 LEU HD1% A 13 LEU HBx 1.0 1.8 5.5 1062 791 A 13 LEU HD1% A 13 LEU HBy 1.0 1.8 5.5 1063 792 A 13 LEU HD2% A 13 LEU HBx 1.0 1.8 5.5 1064 792 A 13 LEU HBy A 13 LEU HD2% 1.0 1.8 5.5 1065 793 A 13 LEU HD1% A 13 LEU H 1.0 1.8 5.5 1066 794 A 13 LEU HD2% A 13 LEU H 1.0 1.8 5.5 1067 795 A 13 LEU HG A 13 LEU H 1.0 1.8 5.0 1068 796 A 14 LYS HA A 14 LYS HDx 1.0 1.8 5.5 1069 796 A 14 LYS HA A 14 LYS HDy 1.0 1.8 5.5 1070 797 A 14 LYS HBy A 14 LYS HDx 1.0 1.8 5.5 1071 797 A 14 LYS HBx A 14 LYS HDx 1.0 1.8 5.5 1072 797 A 14 LYS HDy A 14 LYS HBx 1.0 1.8 5.5 1073 797 A 14 LYS HBy A 14 LYS HDy 1.0 1.8 5.5 1074 798 A 14 LYS HBx A 14 LYS HEx 1.0 1.8 5.5 1075 798 A 14 LYS HEy A 14 LYS HBx 1.0 1.8 5.5 1076 798 A 14 LYS HBy A 14 LYS HEy 1.0 1.8 5.5 1077 798 A 14 LYS HBy A 14 LYS HEx 1.0 1.8 5.5 1078 799 A 14 LYS HBy A 14 LYS H 1.0 1.8 3.5 1079 799 A 14 LYS H A 14 LYS HBx 1.0 1.8 3.5 1080 800 A 14 LYS HDy A 14 LYS H 1.0 1.8 5.5 1081 800 A 14 LYS H A 14 LYS HDx 1.0 1.8 5.5 1082 801 A 14 LYS HGy A 14 LYS H 1.0 1.8 5.0 1083 801 A 14 LYS H A 14 LYS HGx 1.0 1.8 5.0 1084 802 A 17 LYS HA A 17 LYS HDx 1.0 1.8 5.5 1085 802 A 17 LYS HDy A 17 LYS HA 1.0 1.8 5.5 1086 803 A 17 LYS HBx A 17 LYS HDx 1.0 1.8 5.5 1087 803 A 17 LYS HBy A 17 LYS HDx 1.0 1.8 5.5 1088 803 A 17 LYS HDy A 17 LYS HBx 1.0 1.8 5.5 1089 803 A 17 LYS HDy A 17 LYS HBy 1.0 1.8 5.5 1090 804 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 5.5 1091 804 A 17 LYS HBx A 17 LYS HEx 1.0 1.8 5.5 1092 804 A 17 LYS HEy A 17 LYS HBx 1.0 1.8 5.5 1093 804 A 17 LYS HBy A 17 LYS HEy 1.0 1.8 5.5 1094 805 A 17 LYS HBy A 17 LYS H 1.0 1.8 3.5 1095 805 A 17 LYS H A 17 LYS HBx 1.0 1.8 3.5 1096 806 A 17 LYS HDy A 17 LYS H 1.0 1.8 5.5 1097 806 A 17 LYS H A 17 LYS HDx 1.0 1.8 5.5 1098 807 A 17 LYS HGy A 17 LYS H 1.0 1.8 5.0 1099 807 A 17 LYS H A 17 LYS HGx 1.0 1.8 5.0 1100 808 A 18 GLN HA A 18 GLN HE2y 1.0 1.8 5.5 1101 808 A 18 GLN HA A 18 GLN HE2x 1.0 1.8 5.5 1102 809 A 18 GLN HBx A 18 GLN HE2y 1.0 1.8 5.5 1103 809 A 18 GLN HBy A 18 GLN HE2y 1.0 1.8 5.5 1104 809 A 18 GLN HE2x A 18 GLN HBx 1.0 1.8 5.5 1105 809 A 18 GLN HBy A 18 GLN HE2x 1.0 1.8 5.5 1106 810 A 18 GLN HE2x A 18 GLN HGx 1.0 1.8 5.5 1107 810 A 18 GLN HGy A 18 GLN HE2y 1.0 1.8 5.5 1108 810 A 18 GLN HGy A 18 GLN HE2x 1.0 1.8 5.5 1109 810 A 18 GLN HE2y A 18 GLN HGx 1.0 1.8 5.5 1110 811 A 18 GLN HBy A 18 GLN H 1.0 1.8 3.5 1111 811 A 18 GLN H A 18 GLN HBx 1.0 1.8 3.5 1112 812 A 18 GLN HGy A 18 GLN H 1.0 1.8 5.0 1113 812 A 18 GLN H A 18 GLN HGx 1.0 1.8 5.0 1114 813 A 21 THR H A 21 THR HG2% 1.0 1.8 5.5 1115 814 A 22 GLU H A 22 GLU HGx 1.0 1.8 5.5 1116 814 A 22 GLU H A 22 GLU HGy 1.0 1.8 5.5 1117 815 A 24 MET HE% A 24 MET HBx 1.0 1.8 5.5 1118 815 A 24 MET HE% A 24 MET HBy 1.0 1.8 5.5 1119 816 A 24 MET HE% A 24 MET HGx 1.0 1.8 5.5 1120 816 A 24 MET HE% A 24 MET HGy 1.0 1.8 5.5 1121 817 A 24 MET H A 24 MET HBx 1.0 1.8 3.5 1122 817 A 24 MET H A 24 MET HBy 1.0 1.8 3.5 1123 818 A 24 MET H A 24 MET HGx 1.0 1.8 5.5 1124 818 A 24 MET H A 24 MET HGy 1.0 1.8 5.5 1125 819 A 26 LEU HA A 26 LEU HD1% 1.0 1.8 4.0 1126 820 A 26 LEU HA A 26 LEU HD2% 1.0 1.8 5.5 1127 821 A 26 LEU HD1% A 26 LEU HBx 1.0 1.8 5.5 1128 821 A 26 LEU HD1% A 26 LEU HBy 1.0 1.8 5.5 1129 822 A 26 LEU HD2% A 26 LEU HBx 1.0 1.8 5.5 1130 822 A 26 LEU HD2% A 26 LEU HBy 1.0 1.8 5.5 1131 823 A 26 LEU H A 26 LEU HBx 1.0 1.8 3.5 1132 823 A 26 LEU H A 26 LEU HBy 1.0 1.8 3.5 1133 824 A 26 LEU H A 26 LEU HD1% 1.0 1.8 5.5 1134 825 A 26 LEU H A 26 LEU HD2% 1.0 1.8 5.5 1135 826 A 28 LEU HA A 28 LEU HD1% 1.0 1.8 5.5 1136 827 A 28 LEU HA A 28 LEU HD2% 1.0 1.8 4.0 1137 828 A 28 LEU HD1% A 28 LEU HBx 1.0 1.8 5.5 1138 828 A 28 LEU HD1% A 28 LEU HBy 1.0 1.8 5.5 1139 829 A 28 LEU HD2% A 28 LEU HBx 1.0 1.8 5.5 1140 829 A 28 LEU HD2% A 28 LEU HBy 1.0 1.8 5.5 1141 830 A 28 LEU H A 28 LEU HD1% 1.0 1.8 5.5 1142 831 A 28 LEU HD2% A 28 LEU H 1.0 1.8 5.5 1143 832 A 28 LEU H A 28 LEU HG 1.0 1.8 5.0 1144 833 A 32 ARG H A 32 ARG HGx 1.0 1.8 5.5 1145 833 A 32 ARG HGy A 32 ARG H 1.0 1.8 5.5 1146 834 A 33 ASN HBx A 33 ASN HD2y 1.0 1.8 5.0 1147 834 A 33 ASN HBy A 33 ASN HD2y 1.0 1.8 5.0 1148 834 A 33 ASN HD2x A 33 ASN HBx 1.0 1.8 5.0 1149 834 A 33 ASN HBy A 33 ASN HD2x 1.0 1.8 5.0 1150 835 A 33 ASN H A 33 ASN HD2y 1.0 1.8 5.0 1151 835 A 33 ASN H A 33 ASN HD2x 1.0 1.8 5.0 1152 836 A 38 ILE HA A 38 ILE HD1% 1.0 1.8 5.5 1153 837 A 38 ILE HD1% A 38 ILE H 1.0 1.8 5.5 1154 838 A 38 ILE H A 38 ILE HG1x 1.0 1.8 5.0 1155 838 A 38 ILE HG1y A 38 ILE H 1.0 1.8 5.0 1156 839 A 40 TYR HA A 40 TYR HD% 1.0 1.8 5.5 1157 840 A 40 TYR HD% A 40 TYR HBx 1.0 1.8 5.5 1158 840 A 40 TYR HD% A 40 TYR HBy 1.0 1.8 5.5 1159 841 A 40 TYR H A 40 TYR HD% 1.0 1.8 5.5 1160 842 A 41 ARG HGy A 41 ARG H 1.0 1.8 5.5 1161 842 A 41 ARG H A 41 ARG HGx 1.0 1.8 5.5 1162 843 A 42 MET HE% A 42 MET HBx 1.0 1.8 5.5 1163 843 A 42 MET HE% A 42 MET HBy 1.0 1.8 5.5 1164 844 A 42 MET HE% A 42 MET HGx 1.0 1.8 5.5 1165 844 A 42 MET HE% A 42 MET HGy 1.0 1.8 5.5 1166 845 A 42 MET H A 42 MET HGx 1.0 1.8 5.0 1167 845 A 42 MET H A 42 MET HGy 1.0 1.8 5.0 1168 846 A 44 PHE HA A 44 PHE HD% 1.0 1.8 5.5 1169 847 A 44 PHE HD% A 44 PHE HBx 1.0 1.8 5.5 1170 847 A 44 PHE HD% A 44 PHE HBy 1.0 1.8 5.5 1171 848 A 44 PHE HD% A 44 PHE H 1.0 1.8 5.5 1172 849 A 47 LEU HA A 47 LEU HD1% 1.0 1.8 5.5 1173 850 A 47 LEU HA A 47 LEU HD2% 1.0 1.8 5.5 1174 851 A 47 LEU HD2% A 47 LEU HBx 1.0 1.8 5.5 1175 851 A 47 LEU HD2% A 47 LEU HBy 1.0 1.8 5.5 1176 852 A 47 LEU H A 47 LEU HBx 1.0 1.8 3.5 1177 852 A 47 LEU H A 47 LEU HBy 1.0 1.8 3.5 1178 853 A 47 LEU H A 47 LEU HD1% 1.0 1.8 5.5 1179 854 A 47 LEU H A 47 LEU HG 1.0 1.8 5.0 1180 855 A 48 THR H A 48 THR HG2% 1.0 1.8 5.5 1181 856 A 49 GLU H A 49 GLU HGx 1.0 1.8 5.5 1182 856 A 49 GLU H A 49 GLU HGy 1.0 1.8 5.5 1183 857 A 52 ILE HA A 52 ILE HD1% 1.0 1.8 5.5 1184 858 A 52 ILE H A 52 ILE HD1% 1.0 1.8 5.5 1185 859 A 52 ILE H A 52 ILE HG1x 1.0 1.8 5.5 1186 859 A 52 ILE H A 52 ILE HG1y 1.0 1.8 5.5 1187 860 A 53 ARG H A 53 ARG HGx 1.0 1.8 5.0 1188 860 A 53 ARG H A 53 ARG HGy 1.0 1.8 5.0 1189 861 A 54 LEU HA A 54 LEU HD1% 1.0 1.8 4.0 1190 862 A 54 LEU HD2% A 54 LEU HBx 1.0 1.8 5.5 1191 862 A 54 LEU HD2% A 54 LEU HBy 1.0 1.8 5.5 1192 863 A 54 LEU HD1% A 54 LEU HBx 1.0 1.8 5.5 1193 863 A 54 LEU HD1% A 54 LEU HBy 1.0 1.8 5.5 1194 864 A 54 LEU H A 54 LEU HD1% 1.0 1.8 5.5 1195 865 A 54 LEU H A 54 LEU HD2% 1.0 1.8 5.5 1196 866 A 54 LEU H A 54 LEU HG 1.0 1.8 5.0 1197 867 A 55 THR H A 55 THR HB 1.0 1.8 3.5 1198 868 A 55 THR H A 55 THR HG2% 1.0 1.8 5.5 1199 869 A 57 GLU H A 57 GLU HGx 1.0 1.8 5.0 1200 869 A 57 GLU H A 57 GLU HGy 1.0 1.8 5.0 1201 870 A 59 VAL H A 59 VAL HB 1.0 1.8 3.5 1202 871 A 59 VAL H A 59 VAL HG1% 1.0 1.8 5.5 1203 872 A 59 VAL H A 59 VAL HG2% 1.0 1.8 5.5 1204 873 A 60 GLU H A 60 GLU HGx 1.0 1.8 5.0 1205 873 A 60 GLU H A 60 GLU HGy 1.0 1.8 5.0 1206 874 A 61 ILE HA A 61 ILE HD1% 1.0 1.8 5.5 1207 875 A 61 ILE H A 61 ILE HB 1.0 1.8 3.5 1208 876 A 61 ILE H A 61 ILE HD1% 1.0 1.8 5.5 1209 877 A 61 ILE H A 61 ILE HG1x 1.0 1.8 5.5 1210 877 A 61 ILE H A 61 ILE HG1y 1.0 1.8 5.5 1211 878 A 62 VAL HA A 62 VAL HG1% 1.0 1.8 3.0 1212 879 A 62 VAL HG1% A 62 VAL H 1.0 1.8 5.5 1213 880 A 62 VAL HG2% A 62 VAL H 1.0 1.8 5.5 1214 881 A 63 ILE H A 63 ILE HD1% 1.0 1.8 5.5 1215 882 A 63 ILE H A 63 ILE HG1x 1.0 1.8 5.0 1216 882 A 63 ILE H A 63 ILE HG1y 1.0 1.8 5.0 1217 883 A 67 TYR HD% A 67 TYR HBx 1.0 1.8 5.5 1218 883 A 67 TYR HBy A 67 TYR HD% 1.0 1.8 5.5 1219 884 A 67 TYR H A 67 TYR HD% 1.0 1.8 5.5 1220 885 A 68 VAL HB A 68 VAL H 1.0 1.8 2.9 1221 886 A 68 VAL HG1% A 68 VAL H 1.0 1.8 5.5 1222 887 A 68 VAL HG2% A 68 VAL H 1.0 1.8 5.5 1223 888 A 70 LEU HD1% A 70 LEU HA 1.0 1.8 5.5 1224 889 A 70 LEU HD2% A 70 LEU HA 1.0 1.8 4.0 1225 890 A 70 LEU HD1% A 70 LEU HBx 1.0 1.8 5.5 1226 890 A 70 LEU HD1% A 70 LEU HBy 1.0 1.8 5.5 1227 891 A 70 LEU H A 70 LEU HD1% 1.0 1.8 5.5 1228 892 A 70 LEU H A 70 LEU HD2% 1.0 1.8 5.5 1229 893 A 70 LEU H A 70 LEU HG 1.0 1.8 5.0 1230 894 A 71 LEU HD2% A 71 LEU HA 1.0 1.8 4.0 1231 895 A 71 LEU HD1% A 71 LEU HBx 1.0 1.8 5.5 1232 895 A 71 LEU HBy A 71 LEU HD1% 1.0 1.8 5.5 1233 896 A 71 LEU HD2% A 71 LEU HBx 1.0 1.8 5.5 1234 896 A 71 LEU HBy A 71 LEU HD2% 1.0 1.8 5.5 1235 897 A 71 LEU H A 71 LEU HD1% 1.0 1.8 5.5 1236 898 A 71 LEU H A 71 LEU HD2% 1.0 1.8 5.5 1237 899 A 71 LEU H A 71 LEU HG 1.0 1.8 5.0 1238 900 A 73 GLN H A 73 GLN HGx 1.0 1.8 5.5 1239 900 A 73 GLN H A 73 GLN HGy 1.0 1.8 5.5 1240 901 A 74 THR H A 74 THR HG2% 1.0 1.8 5.5 1241 902 A 75 THR H A 75 THR HB 1.0 1.8 3.5 1242 903 A 75 THR H A 75 THR HG2% 1.0 1.8 5.5 1243 904 A 76 LEU HA A 76 LEU HD1% 1.0 1.8 4.0 1244 905 A 76 LEU HD2% A 76 LEU HBx 1.0 1.8 5.5 1245 905 A 76 LEU HBy A 76 LEU HD2% 1.0 1.8 5.5 1246 906 A 76 LEU HD2% A 76 LEU H 1.0 1.8 5.5 1247 907 A 76 LEU HG A 76 LEU H 1.0 1.8 5.0 1248 908 A 78 TYR HE% A 78 TYR HBx 1.0 1.8 5.5 1249 908 A 78 TYR HBy A 78 TYR HE% 1.0 1.8 5.5 1250 909 A 79 VAL HA A 79 VAL HG1% 1.0 1.8 3.0 1251 910 A 79 VAL H A 79 VAL HG1% 1.0 1.8 5.5 1252 911 A 79 VAL H A 79 VAL HG2% 1.0 1.8 5.5 1253 912 A 80 GLU H A 80 GLU HBx 1.0 1.8 3.5 1254 912 A 80 GLU H A 80 GLU HBy 1.0 1.8 3.5 1255 913 A 80 GLU H A 80 GLU HGx 1.0 1.8 5.5 1256 913 A 80 GLU H A 80 GLU HGy 1.0 1.8 5.5 1257 914 A 81 LEU HD1% A 81 LEU HA 1.0 1.8 5.5 1258 915 A 81 LEU HD2% A 81 LEU HA 1.0 1.8 5.5 1259 916 A 81 LEU HD1% A 81 LEU HBx 1.0 1.8 5.5 1260 916 A 81 LEU HD1% A 81 LEU HBy 1.0 1.8 5.5 1261 917 A 81 LEU HD2% A 81 LEU HBx 1.0 1.8 5.5 1262 917 A 81 LEU HD2% A 81 LEU HBy 1.0 1.8 5.5 1263 918 A 81 LEU H A 81 LEU HD1% 1.0 1.8 5.5 1264 919 A 81 LEU H A 81 LEU HD2% 1.0 1.8 5.5 1265 920 A 81 LEU H A 81 LEU HG 1.0 1.8 5.0 1266 921 A 82 GLU H A 82 GLU HGx 1.0 1.8 5.0 1267 921 A 82 GLU H A 82 GLU HGy 1.0 1.8 5.0 1268 922 A 85 GLN HBx A 85 GLN HE2y 1.0 1.8 5.5 1269 922 A 85 GLN HBy A 85 GLN HE2y 1.0 1.8 5.5 1270 922 A 85 GLN HE2x A 85 GLN HBx 1.0 1.8 5.5 1271 922 A 85 GLN HBy A 85 GLN HE2x 1.0 1.8 5.5 1272 923 A 85 GLN H A 85 GLN HGx 1.0 1.8 5.0 1273 923 A 85 GLN H A 85 GLN HGy 1.0 1.8 5.0 1274 924 A 86 PHE HD% A 86 PHE HBx 1.0 1.8 5.5 1275 924 A 86 PHE HD% A 86 PHE HBy 1.0 1.8 5.5 1276 925 A 86 PHE H A 86 PHE HD% 1.0 1.8 5.5 1277 926 A 87 HIS HD2 A 87 HIS HBx 1.0 1.8 5.0 1278 926 A 87 HIS HD2 A 87 HIS HBy 1.0 1.8 5.0 1279 927 A 87 HIS H A 87 HIS HD2 1.0 1.8 5.0 1280 928 A 88 PHE HA A 88 PHE HD% 1.0 1.8 5.5 1281 929 A 88 PHE HD% A 88 PHE HBx 1.0 1.8 5.5 1282 929 A 88 PHE HD% A 88 PHE HBy 1.0 1.8 5.5 1283 930 A 88 PHE H A 88 PHE HD% 1.0 1.8 5.5 1284 931 A 89 ILE HD1% A 89 ILE HA 1.0 1.8 5.5 1285 932 A 89 ILE HD1% A 89 ILE H 1.0 1.8 5.5 1286 933 A 89 ILE HG1y A 89 ILE H 1.0 1.8 5.0 1287 933 A 89 ILE H A 89 ILE HG1x 1.0 1.8 5.0 1288 934 A 90 PHE HA A 90 PHE HD% 1.0 1.8 5.5 1289 935 A 90 PHE HD% A 90 PHE HBx 1.0 1.8 5.5 1290 935 A 90 PHE HBy A 90 PHE HD% 1.0 1.8 5.5 1291 936 A 90 PHE H A 90 PHE HD% 1.0 1.8 5.5 1292 937 A 91 LEU HA A 91 LEU HD2% 1.0 1.8 4.0 1293 938 A 91 LEU HD1% A 91 LEU HBx 1.0 1.8 5.5 1294 938 A 91 LEU HBy A 91 LEU HD1% 1.0 1.8 5.5 1295 939 A 91 LEU HD2% A 91 LEU HBx 1.0 1.8 5.5 1296 939 A 91 LEU HD2% A 91 LEU HBy 1.0 1.8 5.5 1297 940 A 91 LEU HD1% A 91 LEU H 1.0 1.8 5.5 1298 941 A 91 LEU HD2% A 91 LEU H 1.0 1.8 5.5 1299 942 A 91 LEU HG A 91 LEU H 1.0 1.8 5.0 1300 943 A 94 ARG HA A 94 ARG HDx 1.0 1.8 5.5 1301 943 A 94 ARG HA A 94 ARG HDy 1.0 1.8 5.5 1302 944 A 94 ARG H A 94 ARG HGx 1.0 1.8 5.5 1303 944 A 94 ARG H A 94 ARG HGy 1.0 1.8 5.5 1304 945 A 97 THR H A 97 THR HG2% 1.0 1.8 5.5 1305 946 A 98 TYR HA A 98 TYR HD% 1.0 1.8 5.5 1306 947 A 98 TYR HD% A 98 TYR HBx 1.0 1.8 5.5 1307 947 A 98 TYR HD% A 98 TYR HBy 1.0 1.8 5.5 1308 948 A 98 TYR H A 98 TYR HD% 1.0 1.8 5.5 1309 949 A 99 ARG H A 99 ARG HGx 1.0 1.8 5.5 1310 949 A 99 ARG H A 99 ARG HGy 1.0 1.8 5.5 1311 950 A 64 ALA HB% A 65 PRO HDy 1.0 1.8 5.0 1312 951 A 64 ALA HB% A 65 PRO HDy 1.0 1.8 5.0 1313 951 A 65 PRO HDx A 64 ALA HB% 1.0 1.8 5.0 1314 952 A 65 PRO HDx A 64 ALA HB% 1.0 1.8 5.0 1315 953 A 64 ALA HB% A 65 PRO HGx 1.0 1.8 5.0 1316 953 A 65 PRO HGy A 64 ALA HB% 1.0 1.8 5.0 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 3 LYS O A 76 LEU H 1.0 1.7 2.3 2 2 A 5 THR O A 9 ALA N 1.0 2.7 3.3 3 3 A 5 THR O A 9 ALA H 1.0 1.7 2.3 4 4 A 8 ALA O A 12 VAL N 1.0 2.7 3.3 5 5 A 8 ALA O A 12 VAL H 1.0 1.7 2.3 6 6 A 9 ALA O A 13 LEU N 1.0 2.7 3.3 7 7 A 9 ALA O A 13 LEU H 1.0 1.7 2.3 8 8 A 10 GLU O A 14 LYS N 1.0 2.7 3.3 9 9 A 10 GLU O A 14 LYS H 1.0 1.7 2.3 10 10 A 11 GLN O A 15 ALA N 1.0 2.7 3.3 11 11 A 11 GLN O A 15 ALA H 1.0 1.7 2.3 12 12 A 13 LEU O A 17 LYS N 1.0 2.7 3.3 13 13 A 13 LEU O A 17 LYS H 1.0 1.7 2.3 14 14 A 14 LYS O A 18 GLN N 1.0 2.7 3.3 15 15 A 14 LYS O A 18 GLN H 1.0 1.7 2.3 16 16 A 26 LEU O A 62 VAL N 1.0 2.7 3.3 17 17 A 26 LEU O A 62 VAL H 1.0 1.7 2.3 18 18 A 27 ARG O A 43 GLY N 1.0 2.7 3.3 19 19 A 27 ARG O A 43 GLY H 1.0 1.7 2.3 20 20 A 29 ALA O A 41 ARG N 1.0 2.7 3.3 21 21 A 29 ALA O A 41 ARG H 1.0 1.7 2.3 22 22 A 31 GLY O A 39 ASP N 1.0 2.7 3.3 23 23 A 31 GLY O A 39 ASP H 1.0 1.7 2.3 24 24 A 39 ASP O A 31 GLY N 1.0 2.7 3.3 25 25 A 39 ASP O A 31 GLY H 1.0 1.7 2.3 26 26 A 41 ARG O A 29 ALA N 1.0 2.7 3.3 27 27 A 41 ARG O A 29 ALA H 1.0 1.7 2.3 28 28 A 43 GLY O A 27 ARG N 1.0 2.7 3.3 29 29 A 43 GLY O A 27 ARG H 1.0 1.7 2.3 30 30 A 64 ALA O A 68 VAL N 1.0 2.7 3.3 31 31 A 64 ALA O A 68 VAL H 1.0 1.7 2.3 32 32 A 74 THR O A 3 LYS N 1.0 2.7 3.3 33 33 A 74 THR O A 3 LYS H 1.0 1.7 2.3 34 34 A 75 THR O A 91 LEU N 1.0 2.7 3.3 35 35 A 75 THR O A 91 LEU H 1.0 1.7 2.3 36 36 A 76 LEU O A 5 THR N 1.0 2.7 3.3 37 37 A 76 LEU O A 5 THR H 1.0 1.7 2.3 38 38 A 77 ASP O A 89 ILE N 1.0 2.7 3.3 39 39 A 77 ASP O A 89 ILE H 1.0 1.7 2.3 40 40 A 89 ILE O A 77 ASP N 1.0 2.7 3.3 41 41 A 89 ILE O A 77 ASP H 1.0 1.7 2.3 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 3 LYS C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -139.15 -79.15 PHI 2 2 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 THR N 1.0 96.54 176.54 PSI 3 3 A 6 PRO N A 6 PRO CA A 6 PRO C A 7 ALA N 1.0 -68.99 11.01 PSI 4 4 A 6 PRO C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -94.04 -34.04 PHI 5 5 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ALA N 1.0 -81.65 -1.65 PSI 6 6 A 7 ALA C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -94.25 -34.25 PHI 7 7 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ALA N 1.0 -82.82 -2.82 PSI 8 8 A 8 ALA C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -90.80 -30.80 PHI 9 9 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 GLU N 1.0 -80.18 -0.18 PSI 10 10 A 11 GLN C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -91.95 -31.95 PHI 11 11 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 LEU N 1.0 -85.28 -5.28 PSI 12 12 A 12 VAL C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -91.09 -31.09 PHI 13 13 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 LYS N 1.0 -78.17 1.83 PSI 14 14 A 13 LEU C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -97.97 -37.97 PHI 15 15 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 ALA N 1.0 -78.55 1.45 PSI 16 16 A 14 LYS C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -92.93 -32.93 PHI 17 17 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ALA N 1.0 -77.92 2.08 PSI 18 18 A 15 ALA C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -92.94 -32.94 PHI 19 19 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LYS N 1.0 -81.58 -1.58 PSI 20 20 A 16 ALA C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -92.63 -32.63 PHI 21 21 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 GLN N 1.0 -77.92 2.08 PSI 22 22 A 17 LYS C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -98.31 -38.31 PHI 23 23 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 GLY N 1.0 -73.33 6.67 PSI 24 24 A 26 LEU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -130.09 -70.09 PHI 25 25 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 84.13 164.13 PSI 26 26 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -152.47 -92.47 PHI 27 27 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ALA N 1.0 106.87 186.87 PSI 28 28 A 28 LEU C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -167.07 -107.07 PHI 29 29 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ALA N 1.0 117.57 197.57 PSI 30 30 A 37 SER C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -143.33 -83.33 PHI 31 31 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 ASP N 1.0 94.50 174.50 PSI 32 32 A 38 ILE C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -150.39 -90.39 PHI 33 33 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 TYR N 1.0 87.04 167.04 PSI 34 34 A 40 TYR C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -158.87 -98.87 PHI 35 35 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 MET N 1.0 104.93 184.93 PSI 36 36 A 41 ARG C A 42 MET N A 42 MET CA A 42 MET C 1.0 -166.70 -106.70 PHI 37 37 A 42 MET N A 42 MET CA A 42 MET C A 43 GLY N 1.0 109.23 189.23 PSI 38 38 A 44 PHE C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -168.15 -108.15 PHI 39 39 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 ASP N 1.0 115.72 195.72 PSI 40 40 A 52 ILE C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -144.58 -84.58 PHI 41 41 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 LEU N 1.0 103.68 183.68 PSI 42 42 A 53 ARG C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -160.77 -100.77 PHI 43 43 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 THR N 1.0 100.56 180.56 PSI 44 44 A 54 LEU C A 55 THR N A 55 THR CA A 55 THR C 1.0 -145.64 -85.64 PHI 45 45 A 55 THR N A 55 THR CA A 55 THR C A 56 SER N 1.0 90.59 170.59 PSI 46 46 A 60 GLU C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -145.65 -85.65 PHI 47 47 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 VAL N 1.0 91.32 171.32 PSI 48 48 A 62 VAL C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -171.57 -111.57 PHI 49 49 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ALA N 1.0 101.10 181.10 PSI 50 50 A 65 PRO N A 65 PRO CA A 65 PRO C A 66 ASP N 1.0 -70.22 9.78 PSI 51 51 A 65 PRO C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -96.72 -36.72 PHI 52 52 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 TYR N 1.0 -66.11 13.89 PSI 53 53 A 68 VAL C A 69 SER N A 69 SER CA A 69 SER C 1.0 -92.37 -32.37 PHI 54 54 A 69 SER N A 69 SER CA A 69 SER C A 70 LEU N 1.0 -74.44 5.56 PSI 55 55 A 73 GLN C A 74 THR N A 74 THR CA A 74 THR C 1.0 -136.67 -76.67 PHI 56 56 A 74 THR N A 74 THR CA A 74 THR C A 75 THR N 1.0 97.38 177.38 PSI 57 57 A 74 THR C A 75 THR N A 75 THR CA A 75 THR C 1.0 -141.39 -81.39 PHI 58 58 A 75 THR N A 75 THR CA A 75 THR C A 76 LEU N 1.0 83.10 163.10 PSI 59 59 A 75 THR C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -139.44 -79.44 PHI 60 60 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 ASP N 1.0 84.63 164.63 PSI 61 61 A 76 LEU C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -146.40 -86.40 PHI 62 62 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 TYR N 1.0 88.61 168.61 PSI 63 63 A 77 ASP C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -129.31 -69.31 PHI 64 64 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 VAL N 1.0 87.20 167.20 PSI 65 65 A 78 TYR C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -168.03 -108.03 PHI 66 66 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 GLU N 1.0 108.09 188.09 PSI 67 67 A 85 GLN C A 86 PHE N A 86 PHE CA A 86 PHE C 1.0 -133.86 -73.86 PHI 68 68 A 86 PHE N A 86 PHE CA A 86 PHE C A 87 HIS N 1.0 89.30 169.30 PSI 69 69 A 86 PHE C A 87 HIS N A 87 HIS CA A 87 HIS C 1.0 -158.47 -98.47 PHI 70 70 A 87 HIS N A 87 HIS CA A 87 HIS C A 88 PHE N 1.0 110.14 190.14 PSI 71 71 A 87 HIS C A 88 PHE N A 88 PHE CA A 88 PHE C 1.0 -135.31 -75.31 PHI 72 72 A 88 PHE N A 88 PHE CA A 88 PHE C A 89 ILE N 1.0 96.38 176.38 PSI 73 73 A 88 PHE C A 89 ILE N A 89 ILE CA A 89 ILE C 1.0 -168.49 -108.49 PHI 74 74 A 89 ILE N A 89 ILE CA A 89 ILE C A 90 PHE N 1.0 109.43 189.43 PSI stop_ save_