data_nef_c15288_2jqo save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASN middle . . 3 A 3 LYS middle . . 4 A 4 ASN middle . . 5 A 5 GLU middle . . 6 A 6 GLN middle . . 7 A 7 ASN middle . . 8 A 8 GLY middle . false 9 A 9 ASP middle . . 10 A 10 GLU middle . . 11 A 11 THR middle . . 12 A 12 LYS middle . . 13 A 13 MET middle . . 14 A 14 GLN middle . . 15 A 15 SER middle . . 16 A 16 LEU middle . . 17 A 17 VAL middle . . 18 A 18 GLY middle . false 19 A 19 TYR middle . . 20 A 20 VAL middle . . 21 A 21 VAL middle . . 22 A 22 LEU middle . . 23 A 23 LYS middle . . 24 A 24 ASP middle . . 25 A 25 ASN middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 ALA middle . . 29 A 29 ILE middle . . 30 A 30 LEU middle . . 31 A 31 ILE middle . . 32 A 32 THR middle . . 33 A 33 ASP middle . . 34 A 34 THR middle . . 35 A 35 LYS middle . . 36 A 36 ALA middle . . 37 A 37 PRO middle . false 38 A 38 GLY middle . false 39 A 39 LYS middle . . 40 A 40 GLU middle . . 41 A 41 ASP middle . . 42 A 42 TYR middle . . 43 A 43 ASN middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 GLU middle . . 47 A 47 GLY middle . false 48 A 48 GLN middle . . 49 A 49 LEU middle . . 50 A 50 MET middle . . 51 A 51 ASN middle . . 52 A 52 LYS middle . . 53 A 53 PHE middle . . 54 A 54 LYS middle . . 55 A 55 ASN middle . . 56 A 56 ASN middle . . 57 A 57 ILE middle . . 58 A 58 VAL middle . . 59 A 59 ILE middle . . 60 A 60 VAL middle . . 61 A 61 GLY middle . false 62 A 62 LEU middle . . 63 A 63 SER middle . . 64 A 64 GLU middle . . 65 A 65 ILE middle . . 66 A 66 ASP middle . . 67 A 67 ASN middle . . 68 A 68 THR middle . . 69 A 69 ASP middle . . 70 A 70 ASP middle . . 71 A 71 LEU middle . . 72 A 72 LYS middle . . 73 A 73 ARG middle . . 74 A 74 GLY middle . false 75 A 75 GLU middle . . 76 A 76 LYS middle . . 77 A 77 ILE middle . . 78 A 78 LYS middle . . 79 A 79 VAL middle . . 80 A 80 TRP middle . . 81 A 81 PHE middle . . 82 A 82 HIS middle . . 83 A 83 THR middle . . 84 A 84 ARG middle . . 85 A 85 LYS middle . . 86 A 86 GLU middle . . 87 A 87 SER middle . . 88 A 88 ASN middle . . 89 A 89 PRO middle . true 90 A 90 PRO middle . false 91 A 91 SER middle . . 92 A 92 ALA middle . . 93 A 93 THR middle . . 94 A 94 ILE middle . . 95 A 95 GLN middle . . 96 A 96 LYS middle . . 97 A 97 TYR middle . . 98 A 98 GLU middle . . 99 A 99 LEU middle . . 100 A 100 LEU middle . . 101 A 101 LEU middle . . 102 A 102 GLU middle . . 103 A 103 HIS middle . . 104 A 104 HIS middle . . 105 A 105 HIS middle . . 106 A 106 HIS middle . . 107 A 107 HIS middle . . 108 A 108 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HBx H 1 2.13 0.02 A 1 MET HBy H 1 2.16 0.02 A 1 MET HE% H 1 2.07 0.02 A 1 MET HGx H 1 2.54 0.02 A 1 MET HGy H 1 2.56 0.02 A 1 MET C C 13 171.9 0.2 A 1 MET CA C 13 55.1 0.2 A 1 MET CB C 13 32.7 0.2 A 1 MET CE C 13 16.8 0.2 A 1 MET CG C 13 30.7 0.2 A 2 ASN H H 1 8.93 0.02 A 2 ASN HA H 1 4.75 0.02 A 2 ASN HBx H 1 2.75 0.02 A 2 ASN HBy H 1 2.85 0.02 A 2 ASN HD2x H 1 6.98 0.02 A 2 ASN HD2y H 1 7.65 0.02 A 2 ASN C C 13 174.9 0.2 A 2 ASN CA C 13 53.1 0.2 A 2 ASN CB C 13 39.0 0.2 A 2 ASN N N 15 122.7 0.2 A 2 ASN ND2 N 15 113.4 0.2 A 3 LYS H H 1 8.60 0.02 A 3 LYS HA H 1 4.22 0.02 A 3 LYS HBx H 1 1.73 0.02 A 3 LYS HBy H 1 1.82 0.02 A 3 LYS HDx H 1 1.39 0.02 A 3 LYS HDy H 1 1.41 0.02 A 3 LYS HEx H 1 2.97 0.02 A 3 LYS HEy H 1 3.00 0.02 A 3 LYS HGx H 1 1.65 0.02 A 3 LYS HGy H 1 1.67 0.02 A 3 LYS C C 13 176.3 0.2 A 3 LYS CA C 13 57.0 0.2 A 3 LYS CB C 13 32.7 0.2 A 3 LYS CD C 13 29.0 0.2 A 3 LYS CE C 13 42.0 0.2 A 3 LYS CG C 13 24.6 0.2 A 3 LYS N N 15 122.9 0.2 A 4 ASN H H 1 8.50 0.02 A 4 ASN HA H 1 4.63 0.02 A 4 ASN HBx H 1 2.74 0.02 A 4 ASN HBy H 1 2.84 0.02 A 4 ASN HD2x H 1 6.97 0.02 A 4 ASN HD2y H 1 7.62 0.02 A 4 ASN C C 13 175.3 0.2 A 4 ASN CA C 13 53.6 0.2 A 4 ASN CB C 13 38.5 0.2 A 4 ASN N N 15 119.1 0.2 A 4 ASN ND2 N 15 113.3 0.2 A 5 GLU H H 1 8.23 0.02 A 5 GLU HA H 1 4.26 0.02 A 5 GLU HBx H 1 1.93 0.02 A 5 GLU HBy H 1 2.08 0.02 A 5 GLU HGx H 1 2.28 0.02 A 5 GLU HGy H 1 2.30 0.02 A 5 GLU C C 13 176.2 0.2 A 5 GLU CA C 13 56.4 0.2 A 5 GLU CB C 13 29.6 0.2 A 5 GLU CG C 13 34.9 0.2 A 5 GLU N N 15 120.8 0.2 A 6 GLN H H 1 8.35 0.02 A 6 GLN HA H 1 4.29 0.02 A 6 GLN HBx H 1 1.96 0.02 A 6 GLN HBy H 1 2.09 0.02 A 6 GLN HE2x H 1 6.90 0.02 A 6 GLN HE2y H 1 7.56 0.02 A 6 GLN HGx H 1 2.31 0.02 A 6 GLN HGy H 1 2.34 0.02 A 6 GLN C C 13 175.7 0.2 A 6 GLN CA C 13 56.0 0.2 A 6 GLN CB C 13 29.2 0.2 A 6 GLN CG C 13 33.7 0.2 A 6 GLN N N 15 120.8 0.2 A 6 GLN NE2 N 15 112.5 0.2 A 7 ASN H H 1 8.44 0.02 A 7 ASN HA H 1 4.67 0.02 A 7 ASN HBx H 1 2.74 0.02 A 7 ASN HBy H 1 2.81 0.02 A 7 ASN HD2x H 1 6.91 0.02 A 7 ASN HD2y H 1 7.60 0.02 A 7 ASN C C 13 175.7 0.2 A 7 ASN CA C 13 53.3 0.2 A 7 ASN CB C 13 39.0 0.2 A 7 ASN N N 15 119.6 0.2 A 7 ASN ND2 N 15 113.0 0.2 A 8 GLY H H 1 8.37 0.02 A 8 GLY HAx H 1 3.90 0.02 A 8 GLY HAy H 1 3.92 0.02 A 8 GLY C C 13 174.0 0.2 A 8 GLY CA C 13 45.4 0.2 A 8 GLY N N 15 109.5 0.2 A 9 ASP H H 1 8.23 0.02 A 9 ASP HA H 1 4.54 0.02 A 9 ASP HBx H 1 2.64 0.02 A 9 ASP HBy H 1 2.72 0.02 A 9 ASP C C 13 176.7 0.2 A 9 ASP CA C 13 54.2 0.2 A 9 ASP CB C 13 40.6 0.2 A 9 ASP N N 15 120.1 0.2 A 10 GLU H H 1 8.57 0.02 A 10 GLU HA H 1 4.19 0.02 A 10 GLU HB2 H 1 1.88 0.02 A 10 GLU HB3 H 1 2.02 0.02 A 10 GLU HG2 H 1 2.17 0.02 A 10 GLU HG3 H 1 2.25 0.02 A 10 GLU C C 13 176.8 0.2 A 10 GLU CA C 13 57.0 0.2 A 10 GLU CB C 13 29.0 0.2 A 10 GLU CG C 13 34.8 0.2 A 10 GLU N N 15 121.7 0.2 A 11 THR H H 1 8.14 0.02 A 11 THR HA H 1 4.23 0.02 A 11 THR HB H 1 4.20 0.02 A 11 THR HG2% H 1 1.17 0.02 A 11 THR C C 13 174.8 0.2 A 11 THR CA C 13 62.5 0.2 A 11 THR CB C 13 69.5 0.2 A 11 THR CG2 C 13 21.5 0.2 A 11 THR N N 15 113.1 0.2 A 12 LYS H H 1 8.05 0.02 A 12 LYS HA H 1 4.33 0.02 A 12 LYS HBx H 1 1.79 0.02 A 12 LYS HBy H 1 1.90 0.02 A 12 LYS HDx H 1 1.40 0.02 A 12 LYS HDy H 1 1.43 0.02 A 12 LYS HEx H 1 2.97 0.02 A 12 LYS HEy H 1 2.99 0.02 A 12 LYS HGx H 1 1.79 0.02 A 12 LYS HGy H 1 1.91 0.02 A 12 LYS C C 13 176.3 0.2 A 12 LYS CA C 13 56.1 0.2 A 12 LYS CB C 13 32.7 0.2 A 12 LYS CD C 13 28.9 0.2 A 12 LYS CE C 13 42.1 0.2 A 12 LYS CG C 13 24.7 0.2 A 12 LYS N N 15 122.6 0.2 A 13 MET H H 1 8.24 0.02 A 13 MET HA H 1 4.48 0.02 A 13 MET HBx H 1 1.99 0.02 A 13 MET HBy H 1 2.03 0.02 A 13 MET HE% H 1 1.80 0.02 A 13 MET HGx H 1 2.04 0.02 A 13 MET HGy H 1 2.48 0.02 A 13 MET C C 13 175.5 0.2 A 13 MET CA C 13 55.5 0.2 A 13 MET CB C 13 34.9 0.2 A 13 MET CE C 13 17.1 0.2 A 13 MET CG C 13 32.6 0.2 A 13 MET N N 15 121.3 0.2 A 14 GLN H H 1 8.27 0.02 A 14 GLN HA H 1 4.30 0.02 A 14 GLN HBx H 1 0.97 0.02 A 14 GLN HBy H 1 1.61 0.02 A 14 GLN HE2x H 1 7.00 0.02 A 14 GLN HE2y H 1 7.37 0.02 A 14 GLN HGx H 1 2.08 0.02 A 14 GLN HGy H 1 2.12 0.02 A 14 GLN C C 13 173.3 0.2 A 14 GLN CA C 13 54.8 0.2 A 14 GLN CB C 13 31.8 0.2 A 14 GLN CG C 13 34.2 0.2 A 14 GLN N N 15 122.1 0.2 A 14 GLN NE2 N 15 112.6 0.2 A 15 SER H H 1 7.90 0.02 A 15 SER HA H 1 5.27 0.02 A 15 SER HBx H 1 2.48 0.02 A 15 SER HBy H 1 2.69 0.02 A 15 SER C C 13 174.0 0.2 A 15 SER CA C 13 56.0 0.2 A 15 SER CB C 13 66.6 0.2 A 15 SER N N 15 110.6 0.2 A 16 LEU H H 1 8.00 0.02 A 16 LEU HA H 1 4.54 0.02 A 16 LEU HBx H 1 1.48 0.02 A 16 LEU HBy H 1 1.52 0.02 A 16 LEU HD1% H 1 0.64 0.02 A 16 LEU HD2% H 1 0.79 0.02 A 16 LEU HG H 1 1.54 0.02 A 16 LEU C C 13 173.8 0.2 A 16 LEU CA C 13 54.3 0.2 A 16 LEU CB C 13 46.6 0.2 A 16 LEU CD1 C 13 25.3 0.2 A 16 LEU CD2 C 13 25.8 0.2 A 16 LEU CG C 13 26.3 0.2 A 16 LEU N N 15 118.1 0.2 A 17 VAL H H 1 8.02 0.02 A 17 VAL HA H 1 5.06 0.02 A 17 VAL HB H 1 1.65 0.02 A 17 VAL HG1% H 1 0.62 0.02 A 17 VAL HG2% H 1 0.74 0.02 A 17 VAL C C 13 175.9 0.2 A 17 VAL CA C 13 59.8 0.2 A 17 VAL CB C 13 34.4 0.2 A 17 VAL CG1 C 13 21.2 0.2 A 17 VAL CG2 C 13 21.5 0.2 A 17 VAL N N 15 120.9 0.2 A 18 GLY H H 1 8.63 0.02 A 18 GLY HAx H 1 3.61 0.02 A 18 GLY HAy H 1 4.29 0.02 A 18 GLY C C 13 170.1 0.2 A 18 GLY CA C 13 45.9 0.2 A 18 GLY N N 15 110.5 0.2 A 19 TYR H H 1 8.78 0.02 A 19 TYR HA H 1 5.17 0.02 A 19 TYR HBx H 1 2.52 0.02 A 19 TYR HBy H 1 2.61 0.02 A 19 TYR HDx H 1 6.97 0.02 A 19 TYR HEx H 1 6.81 0.02 A 19 TYR C C 13 176.6 0.2 A 19 TYR CA C 13 56.8 0.2 A 19 TYR CB C 13 41.3 0.2 A 19 TYR CDx C 13 133.4 0.2 A 19 TYR CEx C 13 118.3 0.2 A 19 TYR N N 15 116.7 0.2 A 20 VAL H H 1 8.90 0.02 A 20 VAL HA H 1 3.98 0.02 A 20 VAL HB H 1 2.34 0.02 A 20 VAL HG1% H 1 0.54 0.02 A 20 VAL HG2% H 1 0.76 0.02 A 20 VAL C C 13 176.2 0.2 A 20 VAL CA C 13 62.8 0.2 A 20 VAL CB C 13 31.7 0.2 A 20 VAL CG1 C 13 21.8 0.2 A 20 VAL CG2 C 13 21.7 0.2 A 20 VAL N N 15 122.2 0.2 A 21 VAL H H 1 8.90 0.02 A 21 VAL HA H 1 4.79 0.02 A 21 VAL HB H 1 1.85 0.02 A 21 VAL HGx% H 1 0.73 0.02 A 21 VAL HGy% H 1 0.73 0.02 A 21 VAL C C 13 173.4 0.2 A 21 VAL CA C 13 61.8 0.2 A 21 VAL CB C 13 33.7 0.2 A 21 VAL CGx C 13 21.5 0.2 A 21 VAL CGy C 13 21.6 0.2 A 21 VAL N N 15 125.3 0.2 A 22 LEU H H 1 7.13 0.02 A 22 LEU HA H 1 4.51 0.02 A 22 LEU HB2 H 1 1.34 0.02 A 22 LEU HB3 H 1 1.61 0.02 A 22 LEU HD1% H 1 0.89 0.02 A 22 LEU HD2% H 1 0.82 0.02 A 22 LEU HG H 1 1.57 0.02 A 22 LEU C C 13 174.5 0.2 A 22 LEU CA C 13 55.3 0.2 A 22 LEU CB C 13 45.9 0.2 A 22 LEU CD1 C 13 25.5 0.2 A 22 LEU CD2 C 13 24.2 0.2 A 22 LEU CG C 13 27.4 0.2 A 22 LEU N N 15 120.3 0.2 A 23 LYS H H 1 8.85 0.02 A 23 LYS HA H 1 4.79 0.02 A 23 LYS HBx H 1 1.50 0.02 A 23 LYS HBy H 1 1.56 0.02 A 23 LYS HDx H 1 1.31 0.02 A 23 LYS HDy H 1 1.50 0.02 A 23 LYS HEx H 1 2.76 0.02 A 23 LYS HEy H 1 2.83 0.02 A 23 LYS HGx H 1 1.18 0.02 A 23 LYS HGy H 1 1.35 0.02 A 23 LYS C C 13 173.7 0.2 A 23 LYS CA C 13 56.8 0.2 A 23 LYS CB C 13 34.8 0.2 A 23 LYS CD C 13 29.7 0.2 A 23 LYS CE C 13 42.4 0.2 A 23 LYS CG C 13 24.4 0.2 A 23 LYS N N 15 125.7 0.2 A 24 ASP H H 1 9.01 0.02 A 24 ASP HA H 1 4.75 0.02 A 24 ASP HB2 H 1 2.74 0.02 A 24 ASP HB3 H 1 3.13 0.02 A 24 ASP C C 13 174.4 0.2 A 24 ASP CA C 13 52.9 0.2 A 24 ASP CB C 13 41.3 0.2 A 24 ASP N N 15 128.5 0.2 A 25 ASN H H 1 8.33 0.02 A 25 ASN HA H 1 4.28 0.02 A 25 ASN HBx H 1 2.76 0.02 A 25 ASN HBy H 1 2.81 0.02 A 25 ASN HD2x H 1 6.98 0.02 A 25 ASN HD2y H 1 7.66 0.02 A 25 ASN C C 13 176.1 0.2 A 25 ASN CA C 13 55.8 0.2 A 25 ASN CB C 13 37.9 0.2 A 25 ASN N N 15 113.1 0.2 A 25 ASN ND2 N 15 113.3 0.2 A 26 GLU H H 1 8.60 0.02 A 26 GLU HA H 1 4.36 0.02 A 26 GLU HBx H 1 2.01 0.02 A 26 GLU HBy H 1 2.09 0.02 A 26 GLU HGx H 1 2.27 0.02 A 26 GLU HGy H 1 2.29 0.02 A 26 GLU C C 13 176.4 0.2 A 26 GLU CA C 13 57.0 0.2 A 26 GLU CB C 13 30.5 0.2 A 26 GLU CG C 13 34.7 0.2 A 26 GLU N N 15 116.2 0.2 A 27 ARG H H 1 8.58 0.02 A 27 ARG HA H 1 5.40 0.02 A 27 ARG HBx H 1 1.52 0.02 A 27 ARG HBy H 1 1.75 0.02 A 27 ARG HDx H 1 2.78 0.02 A 27 ARG HDy H 1 2.95 0.02 A 27 ARG HE H 1 7.48 0.02 A 27 ARG HGx H 1 1.37 0.02 A 27 ARG HGy H 1 1.62 0.02 A 27 ARG C C 13 173.4 0.2 A 27 ARG CA C 13 54.6 0.2 A 27 ARG CB C 13 33.0 0.2 A 27 ARG CD C 13 43.8 0.2 A 27 ARG CG C 13 25.8 0.2 A 27 ARG N N 15 121.1 0.2 A 27 ARG NE N 15 85.9 0.2 A 28 ALA H H 1 9.09 0.02 A 28 ALA HA H 1 5.17 0.02 A 28 ALA HB% H 1 1.14 0.02 A 28 ALA C C 13 174.7 0.2 A 28 ALA CA C 13 50.0 0.2 A 28 ALA CB C 13 21.5 0.2 A 28 ALA N N 15 120.7 0.2 A 29 ILE H H 1 8.80 0.02 A 29 ILE HA H 1 4.47 0.02 A 29 ILE HB H 1 1.68 0.02 A 29 ILE HD1% H 1 0.71 0.02 A 29 ILE HG1x H 1 0.94 0.02 A 29 ILE HG1y H 1 1.43 0.02 A 29 ILE HG2% H 1 0.70 0.02 A 29 ILE C C 13 174.1 0.2 A 29 ILE CA C 13 61.3 0.2 A 29 ILE CB C 13 37.9 0.2 A 29 ILE CD1 C 13 12.7 0.2 A 29 ILE CG1 C 13 27.3 0.2 A 29 ILE CG2 C 13 17.7 0.2 A 29 ILE N N 15 120.4 0.2 A 30 LEU H H 1 9.04 0.02 A 30 LEU HA H 1 5.28 0.02 A 30 LEU HBx H 1 1.12 0.02 A 30 LEU HBy H 1 1.37 0.02 A 30 LEU HD1% H 1 0.46 0.02 A 30 LEU HD2% H 1 0.42 0.02 A 30 LEU HG H 1 1.32 0.02 A 30 LEU C C 13 175.7 0.2 A 30 LEU CA C 13 52.3 0.2 A 30 LEU CB C 13 44.9 0.2 A 30 LEU CD1 C 13 25.2 0.2 A 30 LEU CD2 C 13 24.6 0.2 A 30 LEU CG C 13 27.6 0.2 A 30 LEU N N 15 128.3 0.2 A 31 ILE H H 1 8.81 0.02 A 31 ILE HA H 1 5.10 0.02 A 31 ILE HB H 1 1.57 0.02 A 31 ILE HD1% H 1 0.11 0.02 A 31 ILE HG1x H 1 0.83 0.02 A 31 ILE HG1y H 1 0.96 0.02 A 31 ILE HG2% H 1 0.48 0.02 A 31 ILE C C 13 177.8 0.2 A 31 ILE CA C 13 58.4 0.2 A 31 ILE CB C 13 38.7 0.2 A 31 ILE CD1 C 13 12.3 0.2 A 31 ILE CG1 C 13 27.2 0.2 A 31 ILE CG2 C 13 17.9 0.2 A 31 ILE N N 15 119.7 0.2 A 32 THR H H 1 8.73 0.02 A 32 THR HA H 1 4.71 0.02 A 32 THR HB H 1 4.52 0.02 A 32 THR HG2% H 1 0.95 0.02 A 32 THR C C 13 174.2 0.2 A 32 THR CA C 13 60.6 0.2 A 32 THR CB C 13 68.3 0.2 A 32 THR CG2 C 13 21.2 0.2 A 32 THR N N 15 118.2 0.2 A 33 ASP H H 1 7.41 0.02 A 33 ASP HA H 1 4.69 0.02 A 33 ASP HBx H 1 2.64 0.02 A 33 ASP HBy H 1 2.94 0.02 A 33 ASP C C 13 175.0 0.2 A 33 ASP CA C 13 53.6 0.2 A 33 ASP CB C 13 41.3 0.2 A 33 ASP N N 15 120.2 0.2 A 34 THR H H 1 8.34 0.02 A 34 THR HA H 1 4.31 0.02 A 34 THR HB H 1 4.33 0.02 A 34 THR HG2% H 1 1.24 0.02 A 34 THR C C 13 174.9 0.2 A 34 THR CA C 13 62.7 0.2 A 34 THR CB C 13 69.2 0.2 A 34 THR CG2 C 13 21.5 0.2 A 34 THR N N 15 112.1 0.2 A 35 LYS H H 1 7.70 0.02 A 35 LYS HA H 1 4.34 0.02 A 35 LYS HBx H 1 1.66 0.02 A 35 LYS HBy H 1 1.71 0.02 A 35 LYS HDx H 1 1.64 0.02 A 35 LYS HDy H 1 1.66 0.02 A 35 LYS HEx H 1 2.96 0.02 A 35 LYS HEy H 1 2.98 0.02 A 35 LYS HGx H 1 1.34 0.02 A 35 LYS HGy H 1 1.36 0.02 A 35 LYS C C 13 174.4 0.2 A 35 LYS CA C 13 55.2 0.2 A 35 LYS CB C 13 33.3 0.2 A 35 LYS CD C 13 29.0 0.2 A 35 LYS CE C 13 42.0 0.2 A 35 LYS CG C 13 24.1 0.2 A 35 LYS N N 15 122.7 0.2 A 36 ALA H H 1 8.13 0.02 A 36 ALA HA H 1 2.95 0.02 A 36 ALA HB% H 1 0.96 0.02 A 36 ALA C C 13 175.6 0.2 A 36 ALA CA C 13 50.2 0.2 A 36 ALA CB C 13 17.4 0.2 A 36 ALA N N 15 126.0 0.2 A 37 PRO HA H 1 4.26 0.02 A 37 PRO HBx H 1 1.49 0.02 A 37 PRO HBy H 1 1.87 0.02 A 37 PRO HDx H 1 2.82 0.02 A 37 PRO HDy H 1 2.94 0.02 A 37 PRO HGx H 1 1.32 0.02 A 37 PRO HGy H 1 1.56 0.02 A 37 PRO C C 13 176.5 0.2 A 37 PRO CA C 13 62.2 0.2 A 37 PRO CB C 13 31.4 0.2 A 37 PRO CD C 13 50.2 0.2 A 37 PRO CG C 13 27.1 0.2 A 38 GLY H H 1 8.91 0.02 A 38 GLY HAx H 1 3.69 0.02 A 38 GLY HAy H 1 4.23 0.02 A 38 GLY C C 13 174.5 0.2 A 38 GLY CA C 13 44.1 0.2 A 38 GLY N N 15 110.5 0.2 A 39 LYS H H 1 8.47 0.02 A 39 LYS HA H 1 3.90 0.02 A 39 LYS HBx H 1 1.78 0.02 A 39 LYS HBy H 1 1.86 0.02 A 39 LYS HDx H 1 1.66 0.02 A 39 LYS HDy H 1 1.71 0.02 A 39 LYS HEx H 1 2.97 0.02 A 39 LYS HEy H 1 3.00 0.02 A 39 LYS HGx H 1 1.42 0.02 A 39 LYS HGy H 1 1.48 0.02 A 39 LYS C C 13 179.3 0.2 A 39 LYS CA C 13 59.7 0.2 A 39 LYS CB C 13 32.4 0.2 A 39 LYS CD C 13 29.2 0.2 A 39 LYS CE C 13 42.0 0.2 A 39 LYS CG C 13 24.6 0.2 A 39 LYS N N 15 119.9 0.2 A 40 GLU H H 1 9.11 0.02 A 40 GLU HA H 1 4.13 0.02 A 40 GLU HBx H 1 1.93 0.02 A 40 GLU HBy H 1 2.02 0.02 A 40 GLU HGx H 1 2.26 0.02 A 40 GLU HGy H 1 2.31 0.02 A 40 GLU C C 13 178.9 0.2 A 40 GLU CA C 13 58.1 0.2 A 40 GLU CB C 13 27.9 0.2 A 40 GLU CG C 13 35.1 0.2 A 40 GLU N N 15 116.4 0.2 A 41 ASP H H 1 7.66 0.02 A 41 ASP HA H 1 4.45 0.02 A 41 ASP HBx H 1 2.32 0.02 A 41 ASP HBy H 1 2.64 0.02 A 41 ASP C C 13 177.0 0.2 A 41 ASP CA C 13 56.6 0.2 A 41 ASP CB C 13 39.8 0.2 A 41 ASP N N 15 120.3 0.2 A 42 TYR H H 1 6.95 0.02 A 42 TYR HA H 1 4.34 0.02 A 42 TYR HBx H 1 2.80 0.02 A 42 TYR HBy H 1 3.25 0.02 A 42 TYR HDx H 1 7.25 0.02 A 42 TYR HEx H 1 6.71 0.02 A 42 TYR C C 13 175.5 0.2 A 42 TYR CA C 13 59.0 0.2 A 42 TYR CB C 13 37.3 0.2 A 42 TYR CDx C 13 132.9 0.2 A 42 TYR CEx C 13 117.9 0.2 A 42 TYR N N 15 113.8 0.2 A 43 ASN H H 1 7.45 0.02 A 43 ASN HA H 1 4.97 0.02 A 43 ASN HBx H 1 2.67 0.02 A 43 ASN HBy H 1 3.05 0.02 A 43 ASN HD2x H 1 6.89 0.02 A 43 ASN HD2y H 1 7.56 0.02 A 43 ASN C C 13 174.9 0.2 A 43 ASN CA C 13 52.4 0.2 A 43 ASN CB C 13 39.4 0.2 A 43 ASN N N 15 115.1 0.2 A 43 ASN ND2 N 15 113.0 0.2 A 44 LEU H H 1 7.11 0.02 A 44 LEU HA H 1 4.48 0.02 A 44 LEU HBx H 1 1.51 0.02 A 44 LEU HBy H 1 1.85 0.02 A 44 LEU HD1% H 1 0.92 0.02 A 44 LEU HD2% H 1 0.78 0.02 A 44 LEU HG H 1 1.97 0.02 A 44 LEU C C 13 176.7 0.2 A 44 LEU CA C 13 54.4 0.2 A 44 LEU CB C 13 42.9 0.2 A 44 LEU CD1 C 13 26.0 0.2 A 44 LEU CD2 C 13 22.0 0.2 A 44 LEU CG C 13 26.6 0.2 A 44 LEU N N 15 120.6 0.2 A 45 SER H H 1 8.78 0.02 A 45 SER HA H 1 4.43 0.02 A 45 SER HBx H 1 3.99 0.02 A 45 SER HBy H 1 4.30 0.02 A 45 SER C C 13 174.7 0.2 A 45 SER CA C 13 56.9 0.2 A 45 SER CB C 13 65.2 0.2 A 45 SER N N 15 116.4 0.2 A 46 GLU H H 1 9.16 0.02 A 46 GLU HA H 1 3.74 0.02 A 46 GLU HBx H 1 1.93 0.02 A 46 GLU HBy H 1 2.02 0.02 A 46 GLU HGx H 1 2.06 0.02 A 46 GLU HGy H 1 2.18 0.02 A 46 GLU C C 13 177.9 0.2 A 46 GLU CA C 13 60.8 0.2 A 46 GLU CB C 13 28.9 0.2 A 46 GLU CG C 13 34.9 0.2 A 46 GLU N N 15 121.2 0.2 A 47 GLY H H 1 8.74 0.02 A 47 GLY HAx H 1 3.73 0.02 A 47 GLY HAy H 1 3.83 0.02 A 47 GLY C C 13 177.1 0.2 A 47 GLY CA C 13 47.0 0.2 A 47 GLY N N 15 105.2 0.2 A 48 GLN H H 1 7.66 0.02 A 48 GLN HA H 1 4.12 0.02 A 48 GLN HBx H 1 1.97 0.02 A 48 GLN HBy H 1 2.42 0.02 A 48 GLN HE2x H 1 6.90 0.02 A 48 GLN HE2y H 1 7.56 0.02 A 48 GLN HGx H 1 2.40 0.02 A 48 GLN HGy H 1 2.44 0.02 A 48 GLN C C 13 180.2 0.2 A 48 GLN CA C 13 58.5 0.2 A 48 GLN CB C 13 29.8 0.2 A 48 GLN CG C 13 34.6 0.2 A 48 GLN N N 15 120.8 0.2 A 48 GLN NE2 N 15 112.9 0.2 A 49 LEU H H 1 8.91 0.02 A 49 LEU HA H 1 4.04 0.02 A 49 LEU HBx H 1 1.32 0.02 A 49 LEU HBy H 1 2.11 0.02 A 49 LEU HD1% H 1 0.78 0.02 A 49 LEU HD2% H 1 1.01 0.02 A 49 LEU HG H 1 1.76 0.02 A 49 LEU C C 13 178.5 0.2 A 49 LEU CA C 13 58.4 0.2 A 49 LEU CB C 13 42.5 0.2 A 49 LEU CD1 C 13 25.8 0.2 A 49 LEU CD2 C 13 24.4 0.2 A 49 LEU CG C 13 26.5 0.2 A 49 LEU N N 15 123.3 0.2 A 50 MET H H 1 8.21 0.02 A 50 MET HA H 1 4.03 0.02 A 50 MET HBx H 1 2.03 0.02 A 50 MET HBy H 1 2.16 0.02 A 50 MET HE% H 1 1.97 0.02 A 50 MET HGx H 1 2.59 0.02 A 50 MET HGy H 1 2.75 0.02 A 50 MET C C 13 177.6 0.2 A 50 MET CA C 13 58.1 0.2 A 50 MET CB C 13 32.1 0.2 A 50 MET CE C 13 17.1 0.2 A 50 MET CG C 13 32.4 0.2 A 50 MET N N 15 116.1 0.2 A 51 ASN H H 1 7.20 0.02 A 51 ASN HA H 1 4.52 0.02 A 51 ASN HBx H 1 2.72 0.02 A 51 ASN HBy H 1 2.76 0.02 A 51 ASN HD2x H 1 6.89 0.02 A 51 ASN HD2y H 1 7.62 0.02 A 51 ASN C C 13 176.3 0.2 A 51 ASN CA C 13 55.3 0.2 A 51 ASN CB C 13 39.2 0.2 A 51 ASN N N 15 114.4 0.2 A 51 ASN ND2 N 15 113.2 0.2 A 52 LYS H H 1 8.00 0.02 A 52 LYS HA H 1 3.83 0.02 A 52 LYS HBx H 1 1.31 0.02 A 52 LYS HBy H 1 1.57 0.02 A 52 LYS HDx H 1 1.15 0.02 A 52 LYS HDy H 1 1.25 0.02 A 52 LYS HEx H 1 2.56 0.02 A 52 LYS HEy H 1 2.61 0.02 A 52 LYS HGx H 1 -0.09 0.02 A 52 LYS HGy H 1 0.81 0.02 A 52 LYS C C 13 177.2 0.2 A 52 LYS CA C 13 59.1 0.2 A 52 LYS CB C 13 33.4 0.2 A 52 LYS CD C 13 29.5 0.2 A 52 LYS CE C 13 41.8 0.2 A 52 LYS CG C 13 24.9 0.2 A 52 LYS N N 15 120.0 0.2 A 53 PHE H H 1 8.16 0.02 A 53 PHE HA H 1 4.84 0.02 A 53 PHE HBx H 1 2.67 0.02 A 53 PHE HBy H 1 3.27 0.02 A 53 PHE HDx H 1 7.30 0.02 A 53 PHE HEx H 1 7.16 0.02 A 53 PHE HZ H 1 7.23 0.02 A 53 PHE C C 13 174.5 0.2 A 53 PHE CA C 13 57.0 0.2 A 53 PHE CB C 13 38.4 0.2 A 53 PHE CDx C 13 132.1 0.2 A 53 PHE CEx C 13 130.9 0.2 A 53 PHE CZ C 13 129.3 0.2 A 53 PHE N N 15 115.7 0.2 A 54 LYS H H 1 6.83 0.02 A 54 LYS HA H 1 4.02 0.02 A 54 LYS HBx H 1 1.77 0.02 A 54 LYS HBy H 1 1.95 0.02 A 54 LYS HDx H 1 1.69 0.02 A 54 LYS HDy H 1 1.73 0.02 A 54 LYS HEx H 1 3.00 0.02 A 54 LYS HEy H 1 3.02 0.02 A 54 LYS HGx H 1 1.40 0.02 A 54 LYS HGy H 1 1.44 0.02 A 54 LYS C C 13 177.1 0.2 A 54 LYS CA C 13 59.0 0.2 A 54 LYS CB C 13 32.3 0.2 A 54 LYS CD C 13 29.1 0.2 A 54 LYS CE C 13 42.1 0.2 A 54 LYS CG C 13 24.1 0.2 A 54 LYS N N 15 119.5 0.2 A 55 ASN H H 1 8.94 0.02 A 55 ASN HA H 1 4.61 0.02 A 55 ASN HBx H 1 3.01 0.02 A 55 ASN HBy H 1 3.03 0.02 A 55 ASN HD2x H 1 7.00 0.02 A 55 ASN HD2y H 1 7.66 0.02 A 55 ASN C C 13 175.1 0.2 A 55 ASN CA C 13 55.3 0.2 A 55 ASN CB C 13 38.3 0.2 A 55 ASN N N 15 117.3 0.2 A 55 ASN ND2 N 15 113.8 0.2 A 56 ASN H H 1 8.74 0.02 A 56 ASN HA H 1 4.99 0.02 A 56 ASN HBx H 1 2.44 0.02 A 56 ASN HBy H 1 3.28 0.02 A 56 ASN HD2x H 1 6.91 0.02 A 56 ASN HD2y H 1 7.54 0.02 A 56 ASN C C 13 173.0 0.2 A 56 ASN CA C 13 53.5 0.2 A 56 ASN CB C 13 40.2 0.2 A 56 ASN N N 15 119.6 0.2 A 56 ASN ND2 N 15 112.8 0.2 A 57 ILE H H 1 7.64 0.02 A 57 ILE HA H 1 5.36 0.02 A 57 ILE HB H 1 1.71 0.02 A 57 ILE HD1% H 1 0.71 0.02 A 57 ILE HG1x H 1 0.96 0.02 A 57 ILE HG1y H 1 1.47 0.02 A 57 ILE HG2% H 1 0.84 0.02 A 57 ILE C C 13 174.5 0.2 A 57 ILE CA C 13 59.0 0.2 A 57 ILE CB C 13 41.0 0.2 A 57 ILE CD1 C 13 14.4 0.2 A 57 ILE CG1 C 13 28.1 0.2 A 57 ILE CG2 C 13 16.9 0.2 A 57 ILE N N 15 117.3 0.2 A 58 VAL H H 1 8.68 0.02 A 58 VAL HA H 1 4.37 0.02 A 58 VAL HB H 1 1.61 0.02 A 58 VAL HG1% H 1 0.49 0.02 A 58 VAL HG2% H 1 0.61 0.02 A 58 VAL C C 13 173.2 0.2 A 58 VAL CA C 13 60.5 0.2 A 58 VAL CB C 13 36.0 0.2 A 58 VAL CG1 C 13 20.1 0.2 A 58 VAL CG2 C 13 21.1 0.2 A 58 VAL N N 15 124.2 0.2 A 59 ILE H H 1 8.60 0.02 A 59 ILE HA H 1 4.48 0.02 A 59 ILE HB H 1 1.67 0.02 A 59 ILE HD1% H 1 0.71 0.02 A 59 ILE HG1x H 1 0.97 0.02 A 59 ILE HG1y H 1 1.42 0.02 A 59 ILE HG2% H 1 0.73 0.02 A 59 ILE C C 13 175.5 0.2 A 59 ILE CA C 13 60.5 0.2 A 59 ILE CB C 13 38.0 0.2 A 59 ILE CD1 C 13 13.0 0.2 A 59 ILE CG1 C 13 27.8 0.2 A 59 ILE CG2 C 13 17.7 0.2 A 59 ILE N N 15 126.4 0.2 A 60 VAL H H 1 9.22 0.02 A 60 VAL HA H 1 5.28 0.02 A 60 VAL HB H 1 2.01 0.02 A 60 VAL HG1% H 1 0.67 0.02 A 60 VAL HG2% H 1 0.82 0.02 A 60 VAL C C 13 175.0 0.2 A 60 VAL CA C 13 57.7 0.2 A 60 VAL CB C 13 33.0 0.2 A 60 VAL CG1 C 13 22.4 0.2 A 60 VAL CG2 C 13 20.0 0.2 A 60 VAL N N 15 121.3 0.2 A 61 GLY H H 1 9.20 0.02 A 61 GLY HAx H 1 3.91 0.02 A 61 GLY HAy H 1 4.45 0.02 A 61 GLY C C 13 176.7 0.2 A 61 GLY CA C 13 45.4 0.2 A 61 GLY N N 15 113.1 0.2 A 62 LEU H H 1 8.15 0.02 A 62 LEU HA H 1 4.53 0.02 A 62 LEU HBx H 1 1.43 0.02 A 62 LEU HBy H 1 1.79 0.02 A 62 LEU HD1% H 1 0.74 0.02 A 62 LEU HD2% H 1 0.51 0.02 A 62 LEU HG H 1 1.48 0.02 A 62 LEU C C 13 177.7 0.2 A 62 LEU CA C 13 54.9 0.2 A 62 LEU CB C 13 41.4 0.2 A 62 LEU CD1 C 13 25.9 0.2 A 62 LEU CD2 C 13 22.5 0.2 A 62 LEU CG C 13 26.5 0.2 A 62 LEU N N 15 123.6 0.2 A 63 SER H H 1 7.89 0.02 A 63 SER HA H 1 4.14 0.02 A 63 SER HBx H 1 3.98 0.02 A 63 SER HBy H 1 4.03 0.02 A 63 SER C C 13 175.5 0.2 A 63 SER CA C 13 61.8 0.2 A 63 SER CB C 13 62.9 0.2 A 63 SER N N 15 114.5 0.2 A 64 GLU H H 1 9.63 0.02 A 64 GLU HA H 1 4.47 0.02 A 64 GLU HBx H 1 1.88 0.02 A 64 GLU HBy H 1 2.40 0.02 A 64 GLU HGx H 1 2.24 0.02 A 64 GLU HGy H 1 2.31 0.02 A 64 GLU C C 13 175.7 0.2 A 64 GLU CA C 13 55.6 0.2 A 64 GLU CB C 13 28.4 0.2 A 64 GLU CG C 13 35.2 0.2 A 64 GLU N N 15 120.5 0.2 A 65 ILE H H 1 7.59 0.02 A 65 ILE HA H 1 4.30 0.02 A 65 ILE HB H 1 1.97 0.02 A 65 ILE HD1% H 1 0.68 0.02 A 65 ILE HG1x H 1 1.26 0.02 A 65 ILE HG1y H 1 1.47 0.02 A 65 ILE HG2% H 1 0.99 0.02 A 65 ILE C C 13 175.5 0.2 A 65 ILE CA C 13 58.8 0.2 A 65 ILE CB C 13 37.4 0.2 A 65 ILE CD1 C 13 11.4 0.2 A 65 ILE CG1 C 13 26.4 0.2 A 65 ILE CG2 C 13 19.2 0.2 A 65 ILE N N 15 120.6 0.2 A 66 ASP H H 1 8.55 0.02 A 66 ASP HA H 1 4.42 0.02 A 66 ASP HBx H 1 2.70 0.02 A 66 ASP HBy H 1 2.75 0.02 A 66 ASP C C 13 176.0 0.2 A 66 ASP CA C 13 56.4 0.2 A 66 ASP CB C 13 40.5 0.2 A 66 ASP N N 15 125.3 0.2 A 67 ASN H H 1 8.08 0.02 A 67 ASN HA H 1 4.91 0.02 A 67 ASN HBx H 1 2.68 0.02 A 67 ASN HBy H 1 2.81 0.02 A 67 ASN HD2x H 1 6.84 0.02 A 67 ASN HD2y H 1 7.64 0.02 A 67 ASN C C 13 175.1 0.2 A 67 ASN CA C 13 53.0 0.2 A 67 ASN CB C 13 39.8 0.2 A 67 ASN N N 15 117.4 0.2 A 67 ASN ND2 N 15 112.7 0.2 A 68 THR H H 1 8.88 0.02 A 68 THR HA H 1 4.73 0.02 A 68 THR HB H 1 4.46 0.02 A 68 THR HG2% H 1 1.21 0.02 A 68 THR C C 13 176.3 0.2 A 68 THR CA C 13 60.6 0.2 A 68 THR CB C 13 68.8 0.2 A 68 THR CG2 C 13 22.2 0.2 A 68 THR N N 15 114.6 0.2 A 69 ASP H H 1 8.47 0.02 A 69 ASP HA H 1 4.26 0.02 A 69 ASP HBx H 1 2.66 0.02 A 69 ASP HBy H 1 2.73 0.02 A 69 ASP C C 13 176.8 0.2 A 69 ASP CA C 13 57.1 0.2 A 69 ASP CB C 13 40.0 0.2 A 69 ASP N N 15 122.9 0.2 A 70 ASP H H 1 8.19 0.02 A 70 ASP HA H 1 4.48 0.02 A 70 ASP HBx H 1 2.73 0.02 A 70 ASP HBy H 1 2.90 0.02 A 70 ASP C C 13 175.5 0.2 A 70 ASP CA C 13 53.7 0.2 A 70 ASP CB C 13 39.6 0.2 A 70 ASP N N 15 114.7 0.2 A 71 LEU H H 1 7.64 0.02 A 71 LEU HA H 1 4.08 0.02 A 71 LEU HBx H 1 1.32 0.02 A 71 LEU HBy H 1 1.40 0.02 A 71 LEU HD1% H 1 0.15 0.02 A 71 LEU HD2% H 1 0.24 0.02 A 71 LEU HG H 1 1.03 0.02 A 71 LEU C C 13 173.8 0.2 A 71 LEU CA C 13 55.2 0.2 A 71 LEU CB C 13 42.0 0.2 A 71 LEU CD1 C 13 25.2 0.2 A 71 LEU CD2 C 13 25.2 0.2 A 71 LEU CG C 13 27.2 0.2 A 71 LEU N N 15 124.9 0.2 A 72 LYS H H 1 7.04 0.02 A 72 LYS HA H 1 4.56 0.02 A 72 LYS HBx H 1 1.40 0.02 A 72 LYS HBy H 1 1.84 0.02 A 72 LYS HDx H 1 1.57 0.02 A 72 LYS HDy H 1 1.61 0.02 A 72 LYS HEx H 1 2.94 0.02 A 72 LYS HEy H 1 2.96 0.02 A 72 LYS HGx H 1 1.17 0.02 A 72 LYS HGy H 1 1.24 0.02 A 72 LYS C C 13 174.9 0.2 A 72 LYS CA C 13 53.7 0.2 A 72 LYS CB C 13 36.7 0.2 A 72 LYS CD C 13 29.2 0.2 A 72 LYS CE C 13 42.2 0.2 A 72 LYS CG C 13 24.3 0.2 A 72 LYS N N 15 120.8 0.2 A 73 ARG H H 1 8.52 0.02 A 73 ARG HA H 1 3.73 0.02 A 73 ARG HBx H 1 1.52 0.02 A 73 ARG HBy H 1 1.64 0.02 A 73 ARG HDx H 1 3.10 0.02 A 73 ARG HDy H 1 3.15 0.02 A 73 ARG HE H 1 7.06 0.02 A 73 ARG HGx H 1 1.29 0.02 A 73 ARG HGy H 1 1.58 0.02 A 73 ARG C C 13 176.6 0.2 A 73 ARG CA C 13 57.4 0.2 A 73 ARG CB C 13 30.4 0.2 A 73 ARG CD C 13 44.0 0.2 A 73 ARG CG C 13 26.8 0.2 A 73 ARG N N 15 119.1 0.2 A 73 ARG NE N 15 84.2 0.2 A 74 GLY H H 1 9.50 0.02 A 74 GLY HAx H 1 3.85 0.02 A 74 GLY HAy H 1 4.24 0.02 A 74 GLY C C 13 174.5 0.2 A 74 GLY CA C 13 44.7 0.2 A 74 GLY N N 15 112.4 0.2 A 75 GLU H H 1 7.41 0.02 A 75 GLU HA H 1 4.32 0.02 A 75 GLU HBx H 1 1.87 0.02 A 75 GLU HBy H 1 2.11 0.02 A 75 GLU HGx H 1 2.42 0.02 A 75 GLU HGy H 1 2.46 0.02 A 75 GLU C C 13 173.9 0.2 A 75 GLU CA C 13 55.8 0.2 A 75 GLU CB C 13 29.4 0.2 A 75 GLU CG C 13 34.5 0.2 A 75 GLU N N 15 117.2 0.2 A 76 LYS H H 1 8.53 0.02 A 76 LYS HA H 1 4.42 0.02 A 76 LYS HBx H 1 1.30 0.02 A 76 LYS HBy H 1 1.73 0.02 A 76 LYS HDx H 1 1.34 0.02 A 76 LYS HDy H 1 1.39 0.02 A 76 LYS HEx H 1 2.49 0.02 A 76 LYS HEy H 1 2.51 0.02 A 76 LYS HGx H 1 0.10 0.02 A 76 LYS HGy H 1 0.76 0.02 A 76 LYS C C 13 175.3 0.2 A 76 LYS CA C 13 55.3 0.2 A 76 LYS CB C 13 33.9 0.2 A 76 LYS CD C 13 29.6 0.2 A 76 LYS CE C 13 42.1 0.2 A 76 LYS CG C 13 25.4 0.2 A 76 LYS N N 15 125.2 0.2 A 77 ILE H H 1 8.97 0.02 A 77 ILE HA H 1 5.36 0.02 A 77 ILE HB H 1 1.76 0.02 A 77 ILE HD1% H 1 0.33 0.02 A 77 ILE HG1x H 1 0.80 0.02 A 77 ILE HG1y H 1 1.09 0.02 A 77 ILE HG2% H 1 0.72 0.02 A 77 ILE C C 13 172.2 0.2 A 77 ILE CA C 13 58.6 0.2 A 77 ILE CB C 13 42.7 0.2 A 77 ILE CD1 C 13 14.5 0.2 A 77 ILE CG1 C 13 24.6 0.2 A 77 ILE CG2 C 13 17.7 0.2 A 77 ILE N N 15 119.4 0.2 A 78 LYS H H 1 8.75 0.02 A 78 LYS HA H 1 5.07 0.02 A 78 LYS HBx H 1 1.32 0.02 A 78 LYS HBy H 1 1.56 0.02 A 78 LYS HDx H 1 1.25 0.02 A 78 LYS HDy H 1 1.31 0.02 A 78 LYS HEx H 1 2.22 0.02 A 78 LYS HEy H 1 2.39 0.02 A 78 LYS HGx H 1 -0.21 0.02 A 78 LYS HGy H 1 0.60 0.02 A 78 LYS C C 13 175.4 0.2 A 78 LYS CA C 13 53.9 0.2 A 78 LYS CB C 13 36.1 0.2 A 78 LYS CD C 13 29.9 0.2 A 78 LYS CE C 13 41.8 0.2 A 78 LYS CG C 13 24.6 0.2 A 78 LYS N N 15 121.7 0.2 A 79 VAL H H 1 8.72 0.02 A 79 VAL HA H 1 5.35 0.02 A 79 VAL HB H 1 2.25 0.02 A 79 VAL HG1% H 1 0.84 0.02 A 79 VAL HG2% H 1 0.75 0.02 A 79 VAL C C 13 173.4 0.2 A 79 VAL CA C 13 58.3 0.2 A 79 VAL CB C 13 34.3 0.2 A 79 VAL CG1 C 13 23.0 0.2 A 79 VAL CG2 C 13 18.8 0.2 A 79 VAL N N 15 115.5 0.2 A 80 TRP H H 1 8.27 0.02 A 80 TRP HA H 1 5.58 0.02 A 80 TRP HBx H 1 2.86 0.02 A 80 TRP HBy H 1 3.18 0.02 A 80 TRP HD1 H 1 6.81 0.02 A 80 TRP HE1 H 1 10.23 0.02 A 80 TRP HE3 H 1 7.36 0.02 A 80 TRP HH2 H 1 7.12 0.02 A 80 TRP HZ2 H 1 7.36 0.02 A 80 TRP HZ3 H 1 6.74 0.02 A 80 TRP C C 13 175.6 0.2 A 80 TRP CA C 13 56.7 0.2 A 80 TRP CB C 13 33.9 0.2 A 80 TRP CD1 C 13 126.8 0.2 A 80 TRP CE3 C 13 121.1 0.2 A 80 TRP CH2 C 13 123.7 0.2 A 80 TRP CZ2 C 13 114.4 0.2 A 80 TRP CZ3 C 13 121.2 0.2 A 80 TRP N N 15 119.8 0.2 A 80 TRP NE1 N 15 129.3 0.2 A 81 PHE H H 1 8.45 0.02 A 81 PHE HA H 1 5.44 0.02 A 81 PHE HBx H 1 3.01 0.02 A 81 PHE HBy H 1 3.07 0.02 A 81 PHE HDx H 1 6.58 0.02 A 81 PHE HEx H 1 6.85 0.02 A 81 PHE HZ H 1 7.01 0.02 A 81 PHE C C 13 173.4 0.2 A 81 PHE CA C 13 54.8 0.2 A 81 PHE CB C 13 41.2 0.2 A 81 PHE CDx C 13 132.5 0.2 A 81 PHE CEx C 13 130.2 0.2 A 81 PHE CZ C 13 129.0 0.2 A 81 PHE N N 15 117.8 0.2 A 82 HIS H H 1 9.08 0.02 A 82 HIS HA H 1 4.93 0.02 A 82 HIS HBx H 1 3.36 0.02 A 82 HIS HBy H 1 3.42 0.02 A 82 HIS C C 13 175.4 0.2 A 82 HIS CA C 13 57.7 0.2 A 82 HIS CB C 13 29.5 0.2 A 82 HIS N N 15 117.4 0.2 A 83 THR H H 1 8.42 0.02 A 83 THR HA H 1 4.68 0.02 A 83 THR HB H 1 4.08 0.02 A 83 THR HG2% H 1 1.18 0.02 A 83 THR C C 13 172.3 0.2 A 83 THR CA C 13 61.2 0.2 A 83 THR CB C 13 71.5 0.2 A 83 THR CG2 C 13 21.5 0.2 A 83 THR N N 15 113.2 0.2 A 84 ARG H H 1 8.85 0.02 A 84 ARG HA H 1 4.69 0.02 A 84 ARG HBx H 1 1.59 0.02 A 84 ARG HBy H 1 1.75 0.02 A 84 ARG HDx H 1 2.94 0.02 A 84 ARG HDy H 1 3.04 0.02 A 84 ARG HE H 1 7.76 0.02 A 84 ARG HGx H 1 1.34 0.02 A 84 ARG HGy H 1 1.43 0.02 A 84 ARG C C 13 174.9 0.2 A 84 ARG CA C 13 54.4 0.2 A 84 ARG CB C 13 33.0 0.2 A 84 ARG CD C 13 43.7 0.2 A 84 ARG CG C 13 26.8 0.2 A 84 ARG N N 15 125.4 0.2 A 84 ARG NE N 15 85.2 0.2 A 85 LYS H H 1 9.08 0.02 A 85 LYS HA H 1 4.44 0.02 A 85 LYS HBx H 1 1.76 0.02 A 85 LYS HBy H 1 1.81 0.02 A 85 LYS HDx H 1 1.59 0.02 A 85 LYS HDy H 1 1.63 0.02 A 85 LYS HEx H 1 2.96 0.02 A 85 LYS HEy H 1 2.98 0.02 A 85 LYS HGx H 1 1.31 0.02 A 85 LYS HGy H 1 1.38 0.02 A 85 LYS C C 13 177.0 0.2 A 85 LYS CA C 13 55.4 0.2 A 85 LYS CB C 13 33.2 0.2 A 85 LYS CD C 13 28.9 0.2 A 85 LYS CE C 13 42.0 0.2 A 85 LYS CG C 13 24.8 0.2 A 85 LYS N N 15 125.4 0.2 A 86 GLU H H 1 8.79 0.02 A 86 GLU HA H 1 4.57 0.02 A 86 GLU HBx H 1 1.86 0.02 A 86 GLU HBy H 1 2.18 0.02 A 86 GLU HGx H 1 2.31 0.02 A 86 GLU HGy H 1 2.41 0.02 A 86 GLU C C 13 176.7 0.2 A 86 GLU CA C 13 55.2 0.2 A 86 GLU CB C 13 26.9 0.2 A 86 GLU CG C 13 34.6 0.2 A 86 GLU N N 15 126.3 0.2 A 87 SER H H 1 7.69 0.02 A 87 SER HA H 1 4.35 0.02 A 87 SER HBx H 1 3.62 0.02 A 87 SER HBy H 1 3.98 0.02 A 87 SER C C 13 172.4 0.2 A 87 SER CA C 13 57.1 0.2 A 87 SER CB C 13 64.9 0.2 A 87 SER N N 15 114.7 0.2 A 88 ASN H H 1 8.42 0.02 A 88 ASN HA H 1 5.04 0.02 A 88 ASN HBx H 1 2.60 0.02 A 88 ASN HBy H 1 2.84 0.02 A 88 ASN HD2x H 1 6.85 0.02 A 88 ASN HD2y H 1 7.57 0.02 A 88 ASN C C 13 172.7 0.2 A 88 ASN CA C 13 49.9 0.2 A 88 ASN CB C 13 40.0 0.2 A 88 ASN N N 15 117.1 0.2 A 88 ASN ND2 N 15 112.3 0.2 A 89 PRO HA H 1 5.14 0.02 A 89 PRO HBx H 1 2.01 0.02 A 89 PRO HBy H 1 2.41 0.02 A 89 PRO HDx H 1 3.46 0.02 A 89 PRO HDy H 1 3.57 0.02 A 89 PRO HGx H 1 1.71 0.02 A 89 PRO HGy H 1 1.85 0.02 A 89 PRO C C 13 173.7 0.2 A 89 PRO CA C 13 62.7 0.2 A 89 PRO CB C 13 33.1 0.2 A 89 PRO CD C 13 50.3 0.2 A 89 PRO CG C 13 25.0 0.2 A 90 PRO HA H 1 4.48 0.02 A 90 PRO HBx H 1 1.73 0.02 A 90 PRO HBy H 1 2.36 0.02 A 90 PRO HDx H 1 3.90 0.02 A 90 PRO HDy H 1 3.92 0.02 A 90 PRO HGx H 1 2.12 0.02 A 90 PRO HGy H 1 2.18 0.02 A 90 PRO C C 13 173.9 0.2 A 90 PRO CA C 13 63.5 0.2 A 90 PRO CB C 13 32.6 0.2 A 90 PRO CD C 13 50.8 0.2 A 90 PRO CG C 13 27.9 0.2 A 91 SER H H 1 7.92 0.02 A 91 SER HA H 1 5.66 0.02 A 91 SER HBx H 1 3.61 0.02 A 91 SER HBy H 1 3.66 0.02 A 91 SER C C 13 172.7 0.2 A 91 SER CA C 13 55.6 0.2 A 91 SER CB C 13 67.1 0.2 A 91 SER N N 15 112.0 0.2 A 92 ALA H H 1 8.26 0.02 A 92 ALA HA H 1 4.59 0.02 A 92 ALA HB% H 1 0.47 0.02 A 92 ALA C C 13 176.5 0.2 A 92 ALA CA C 13 51.4 0.2 A 92 ALA CB C 13 21.5 0.2 A 92 ALA N N 15 121.0 0.2 A 93 THR H H 1 9.44 0.02 A 93 THR HA H 1 4.34 0.02 A 93 THR HB H 1 4.12 0.02 A 93 THR HG2% H 1 1.20 0.02 A 93 THR C C 13 174.6 0.2 A 93 THR CA C 13 63.1 0.2 A 93 THR CB C 13 68.9 0.2 A 93 THR CG2 C 13 22.2 0.2 A 93 THR N N 15 123.0 0.2 A 94 ILE H H 1 7.35 0.02 A 94 ILE HA H 1 4.84 0.02 A 94 ILE HB H 1 2.34 0.02 A 94 ILE HD1% H 1 0.78 0.02 A 94 ILE HG1x H 1 1.20 0.02 A 94 ILE HG1y H 1 1.56 0.02 A 94 ILE HG2% H 1 0.94 0.02 A 94 ILE C C 13 174.9 0.2 A 94 ILE CA C 13 60.7 0.2 A 94 ILE CB C 13 40.2 0.2 A 94 ILE CD1 C 13 14.9 0.2 A 94 ILE CG1 C 13 24.2 0.2 A 94 ILE CG2 C 13 19.3 0.2 A 94 ILE N N 15 118.6 0.2 A 95 GLN H H 1 8.73 0.02 A 95 GLN HA H 1 4.54 0.02 A 95 GLN HBx H 1 1.88 0.02 A 95 GLN HBy H 1 2.09 0.02 A 95 GLN HE2x H 1 6.63 0.02 A 95 GLN HE2y H 1 7.48 0.02 A 95 GLN HGx H 1 2.36 0.02 A 95 GLN HGy H 1 2.41 0.02 A 95 GLN C C 13 176.1 0.2 A 95 GLN CA C 13 56.6 0.2 A 95 GLN CB C 13 31.0 0.2 A 95 GLN CG C 13 35.7 0.2 A 95 GLN N N 15 118.1 0.2 A 95 GLN NE2 N 15 112.6 0.2 A 96 LYS H H 1 7.70 0.02 A 96 LYS HA H 1 4.57 0.02 A 96 LYS HBx H 1 1.74 0.02 A 96 LYS HBy H 1 1.78 0.02 A 96 LYS HDx H 1 0.90 0.02 A 96 LYS HDy H 1 1.11 0.02 A 96 LYS HEx H 1 1.90 0.02 A 96 LYS HEy H 1 2.05 0.02 A 96 LYS HGx H 1 1.05 0.02 A 96 LYS HGy H 1 1.21 0.02 A 96 LYS C C 13 173.9 0.2 A 96 LYS CA C 13 55.4 0.2 A 96 LYS CB C 13 35.6 0.2 A 96 LYS CD C 13 28.9 0.2 A 96 LYS CE C 13 41.1 0.2 A 96 LYS CG C 13 24.3 0.2 A 96 LYS N N 15 114.9 0.2 A 97 TYR H H 1 8.50 0.02 A 97 TYR HA H 1 6.10 0.02 A 97 TYR HBx H 1 2.87 0.02 A 97 TYR HBy H 1 3.04 0.02 A 97 TYR HDx H 1 6.68 0.02 A 97 TYR HEx H 1 6.69 0.02 A 97 TYR C C 13 172.8 0.2 A 97 TYR CA C 13 56.3 0.2 A 97 TYR CB C 13 42.9 0.2 A 97 TYR CDx C 13 132.4 0.2 A 97 TYR CEx C 13 118.2 0.2 A 97 TYR N N 15 118.8 0.2 A 98 GLU H H 1 9.54 0.02 A 98 GLU HA H 1 4.63 0.02 A 98 GLU HBx H 1 2.09 0.02 A 98 GLU HBy H 1 2.13 0.02 A 98 GLU HGx H 1 2.29 0.02 A 98 GLU HGy H 1 2.34 0.02 A 98 GLU C C 13 174.8 0.2 A 98 GLU CA C 13 54.5 0.2 A 98 GLU CB C 13 34.0 0.2 A 98 GLU CG C 13 34.9 0.2 A 98 GLU N N 15 120.3 0.2 A 99 LEU H H 1 9.02 0.02 A 99 LEU HA H 1 4.48 0.02 A 99 LEU HBx H 1 1.59 0.02 A 99 LEU HBy H 1 1.73 0.02 A 99 LEU HD1% H 1 0.97 0.02 A 99 LEU HD2% H 1 0.88 0.02 A 99 LEU HG H 1 1.71 0.02 A 99 LEU C C 13 176.5 0.2 A 99 LEU CA C 13 55.5 0.2 A 99 LEU CB C 13 41.9 0.2 A 99 LEU CD1 C 13 24.9 0.2 A 99 LEU CD2 C 13 24.4 0.2 A 99 LEU CG C 13 27.9 0.2 A 99 LEU N N 15 125.7 0.2 A 100 LEU H H 1 8.51 0.02 A 100 LEU HA H 1 4.55 0.02 A 100 LEU HBx H 1 1.32 0.02 A 100 LEU HBy H 1 1.41 0.02 A 100 LEU HD1% H 1 0.70 0.02 A 100 LEU HD2% H 1 0.74 0.02 A 100 LEU HG H 1 1.54 0.02 A 100 LEU C C 13 176.2 0.2 A 100 LEU CA C 13 54.2 0.2 A 100 LEU CB C 13 41.5 0.2 A 100 LEU CD1 C 13 26.8 0.2 A 100 LEU CD2 C 13 22.6 0.2 A 100 LEU CG C 13 26.8 0.2 A 100 LEU N N 15 125.8 0.2 A 101 LEU H H 1 8.24 0.02 A 101 LEU HA H 1 4.42 0.02 A 101 LEU HBx H 1 1.44 0.02 A 101 LEU HBy H 1 1.60 0.02 A 101 LEU HD1% H 1 0.91 0.02 A 101 LEU HD2% H 1 0.86 0.02 A 101 LEU HG H 1 1.53 0.02 A 101 LEU C C 13 176.9 0.2 A 101 LEU CA C 13 54.3 0.2 A 101 LEU CB C 13 42.5 0.2 A 101 LEU CD1 C 13 25.1 0.2 A 101 LEU CD2 C 13 23.2 0.2 A 101 LEU CG C 13 27.1 0.2 A 101 LEU N N 15 122.3 0.2 A 102 GLU H H 1 8.39 0.02 A 102 GLU HA H 1 4.23 0.02 A 102 GLU HBx H 1 1.85 0.02 A 102 GLU HBy H 1 1.91 0.02 A 102 GLU HGx H 1 1.86 0.02 A 102 GLU HGy H 1 1.89 0.02 A 102 GLU C C 13 176.0 0.2 A 102 GLU CA C 13 56.0 0.2 A 102 GLU CB C 13 30.3 0.2 A 102 GLU CG C 13 35.5 0.2 A 102 GLU N N 15 121.5 0.2 A 103 HIS H H 1 8.60 0.02 A 103 HIS HA H 1 4.63 0.02 A 103 HIS CA C 13 55.1 0.2 A 103 HIS CB C 13 29.0 0.2 A 103 HIS N N 15 119.6 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 10 GLU H A 11 THR H 1.0 1.8 3.2 2 2 A 12 LYS H A 13 MET H 1.0 1.8 5.0 3 3 A 14 GLN H A 15 SER H 1.0 1.8 5.0 4 4 A 21 VAL H A 22 LEU H 1.0 1.8 3.2 5 5 A 23 LYS H A 24 ASP H 1.0 1.8 5.0 6 6 A 25 ASN H A 26 GLU H 1.0 1.8 5.0 7 7 A 29 ILE H A 30 LEU H 1.0 1.8 5.0 8 8 A 31 ILE H A 30 LEU H 1.0 1.8 5.0 9 9 A 32 THR H A 33 ASP H 1.0 1.8 5.0 10 10 A 33 ASP H A 34 THR H 1.0 1.8 5.0 11 11 A 34 THR H A 35 LYS H 1.0 1.8 4.8 12 12 A 35 LYS H A 36 ALA H 1.0 1.8 5.0 13 13 A 38 GLY H A 39 LYS H 1.0 1.8 5.0 14 14 A 39 LYS H A 40 GLU H 1.0 1.8 3.2 15 15 A 40 GLU H A 41 ASP H 1.0 1.8 3.2 16 16 A 41 ASP H A 42 TYR H 1.0 1.8 3.2 17 17 A 43 ASN H A 42 TYR H 1.0 1.8 3.2 18 18 A 43 ASN H A 44 LEU H 1.0 1.8 3.2 19 19 A 45 SER H A 46 GLU H 1.0 1.8 5.0 20 20 A 46 GLU H A 47 GLY H 1.0 1.8 3.2 21 21 A 47 GLY H A 48 GLN H 1.0 1.8 3.2 22 22 A 48 GLN H A 49 LEU H 1.0 1.8 3.2 23 23 A 49 LEU H A 50 MET H 1.0 1.8 3.2 24 24 A 50 MET H A 51 ASN H 1.0 1.8 3.2 25 25 A 52 LYS H A 51 ASN H 1.0 1.8 3.2 26 26 A 52 LYS H A 53 PHE H 1.0 1.8 3.2 27 27 A 54 LYS H A 53 PHE H 1.0 1.8 3.2 28 28 A 55 ASN H A 56 ASN H 1.0 1.8 5.0 29 29 A 56 ASN H A 57 ILE H 1.0 1.8 3.2 30 30 A 63 SER H A 62 LEU H 1.0 1.8 3.2 31 31 A 63 SER H A 64 GLU H 1.0 1.8 3.2 32 32 A 64 GLU H A 65 ILE H 1.0 1.8 3.2 33 33 A 66 ASP H A 67 ASN H 1.0 1.8 3.2 34 34 A 67 ASN H A 68 THR H 1.0 1.8 5.0 35 35 A 68 THR H A 69 ASP H 1.0 1.8 3.2 36 36 A 69 ASP H A 70 ASP H 1.0 1.8 3.2 37 37 A 70 ASP H A 71 LEU H 1.0 1.8 2.7 38 38 A 72 LYS H A 73 ARG H 1.0 1.8 5.0 39 39 A 73 ARG H A 74 GLY H 1.0 1.8 5.0 40 40 A 74 GLY H A 75 GLU H 1.0 1.8 3.2 41 41 A 76 LYS H A 75 GLU H 1.0 1.8 5.0 42 42 A 82 HIS H A 81 PHE H 1.0 1.8 5.0 43 43 A 82 HIS H A 83 THR H 1.0 1.8 3.2 44 44 A 84 ARG H A 85 LYS H 1.0 1.8 5.0 45 45 A 86 GLU H A 87 SER H 1.0 1.8 5.0 46 46 A 87 SER H A 88 ASN H 1.0 1.8 5.0 47 47 A 95 GLN H A 96 LYS H 1.0 1.8 3.2 48 48 A 101 LEU H A 100 LEU H 1.0 1.8 5.0 49 49 A 67 ASN H A 69 ASP H 1.0 1.8 5.0 50 50 A 13 MET H A 12 LYS HA 1.0 1.8 2.9 51 51 A 14 GLN H A 13 MET HA 1.0 1.8 2.7 52 52 A 15 SER H A 14 GLN HA 1.0 1.8 2.7 53 53 A 15 SER HA A 16 LEU H 1.0 1.8 2.7 54 54 A 16 LEU HA A 17 VAL H 1.0 1.8 2.7 55 55 A 17 VAL HA A 18 GLY H 1.0 1.8 2.7 56 56 A 19 TYR HA A 20 VAL H 1.0 1.8 2.7 57 57 A 21 VAL H A 20 VAL HA 1.0 1.8 3.5 58 58 A 23 LYS H A 22 LEU HA 1.0 1.8 2.7 59 59 A 23 LYS HA A 24 ASP H 1.0 1.8 3.5 60 60 A 25 ASN H A 24 ASP HA 1.0 1.8 3.5 61 61 A 27 ARG HA A 28 ALA H 1.0 1.8 2.7 62 62 A 28 ALA HA A 29 ILE H 1.0 1.8 2.7 63 63 A 29 ILE HA A 30 LEU H 1.0 1.8 2.7 64 64 A 31 ILE H A 30 LEU HA 1.0 1.8 2.7 65 65 A 32 THR H A 31 ILE HA 1.0 1.8 2.7 66 66 A 34 THR H A 33 ASP HA 1.0 1.8 2.7 67 67 A 36 ALA H A 35 LYS HA 1.0 1.8 2.7 68 68 A 39 LYS H A 38 GLY HAy 1.0 1.8 3.5 69 69 A 39 LYS H A 38 GLY HAx 1.0 1.8 3.5 70 70 A 55 ASN H A 54 LYS HA 1.0 1.8 3.5 71 71 A 57 ILE HA A 58 VAL H 1.0 1.8 2.7 72 72 A 58 VAL HA A 59 ILE H 1.0 1.8 2.7 73 73 A 59 ILE HA A 60 VAL H 1.0 1.8 2.7 74 74 A 60 VAL HA A 61 GLY H 1.0 1.8 2.7 75 75 A 66 ASP H A 65 ILE HA 1.0 1.8 3.5 76 76 A 68 THR H A 67 ASN HA 1.0 1.8 3.5 77 77 A 72 LYS H A 71 LEU HA 1.0 1.8 2.7 78 78 A 73 ARG H A 72 LYS HA 1.0 1.8 2.7 79 79 A 74 GLY H A 73 ARG HA 1.0 1.8 2.7 80 80 A 76 LYS H A 75 GLU HA 1.0 1.8 3.5 81 81 A 76 LYS HA A 77 ILE H 1.0 1.8 2.7 82 82 A 77 ILE HA A 78 LYS H 1.0 1.8 2.7 83 83 A 78 LYS HA A 79 VAL H 1.0 1.8 2.7 84 84 A 79 VAL HA A 80 TRP H 1.0 1.8 2.7 85 85 A 80 TRP HA A 81 PHE H 1.0 1.8 2.7 86 86 A 82 HIS H A 81 PHE HA 1.0 1.8 2.7 87 87 A 84 ARG H A 83 THR HA 1.0 1.8 3.5 88 88 A 85 LYS H A 84 ARG HA 1.0 1.8 2.7 89 89 A 86 GLU H A 85 LYS HA 1.0 1.8 2.7 90 90 A 87 SER H A 86 GLU HA 1.0 1.8 2.7 91 91 A 88 ASN H A 87 SER HA 1.0 1.8 3.5 92 92 A 90 PRO HA A 91 SER H 1.0 1.8 3.5 93 93 A 91 SER HA A 92 ALA H 1.0 1.8 2.7 94 94 A 92 ALA HA A 93 THR H 1.0 1.8 2.7 95 95 A 93 THR HA A 94 ILE H 1.0 1.8 2.7 96 96 A 95 GLN H A 94 ILE HA 1.0 1.8 2.7 97 97 A 96 LYS HA A 97 TYR H 1.0 1.8 2.7 98 98 A 97 TYR HA A 98 GLU H 1.0 1.8 2.7 99 99 A 98 GLU HA A 99 LEU H 1.0 1.8 2.7 100 100 A 99 LEU HA A 100 LEU H 1.0 1.8 2.7 101 101 A 101 LEU H A 100 LEU HA 1.0 1.8 2.9 102 102 A 20 VAL HA A 22 LEU H 1.0 1.8 5.0 103 103 A 35 LYS H A 33 ASP HA 1.0 1.8 5.0 104 104 A 40 GLU H A 38 GLY HAy 1.0 1.8 5.0 105 104 A 40 GLU H A 38 GLY HAx 1.0 1.8 5.0 106 105 A 41 ASP H A 39 LYS HA 1.0 1.8 5.0 107 106 A 40 GLU HA A 42 TYR H 1.0 1.8 5.0 108 107 A 43 ASN H A 41 ASP HA 1.0 1.8 5.0 109 108 A 42 TYR HA A 44 LEU H 1.0 1.8 5.0 110 109 A 56 ASN H A 54 LYS HA 1.0 1.8 5.0 111 110 A 65 ILE H A 63 SER HA 1.0 1.8 5.0 112 111 A 67 ASN H A 65 ILE HA 1.0 1.8 5.0 113 112 A 69 ASP H A 67 ASN HA 1.0 1.8 5.0 114 113 A 70 ASP H A 68 THR HA 1.0 1.8 5.0 115 114 A 71 LEU H A 69 ASP HA 1.0 1.8 5.0 116 115 A 73 ARG HA A 75 GLU H 1.0 1.8 5.0 117 116 A 83 THR H A 81 PHE HA 1.0 1.8 5.0 118 117 A 96 LYS H A 94 ILE HA 1.0 1.8 5.0 119 118 A 41 ASP H A 38 GLY HAy 1.0 1.8 5.0 120 118 A 41 ASP H A 38 GLY HAx 1.0 1.8 5.0 121 119 A 39 LYS HA A 42 TYR H 1.0 1.8 5.0 122 120 A 43 ASN H A 40 GLU HA 1.0 1.8 5.0 123 121 A 41 ASP HA A 44 LEU H 1.0 1.8 5.0 124 122 A 46 GLU HA A 49 LEU H 1.0 1.8 5.0 125 123 A 47 GLY HAy A 50 MET H 1.0 1.8 5.0 126 123 A 50 MET H A 47 GLY HAx 1.0 1.8 5.0 127 124 A 48 GLN HA A 51 ASN H 1.0 1.8 5.0 128 125 A 52 LYS H A 49 LEU HA 1.0 1.8 5.0 129 126 A 50 MET HA A 53 PHE H 1.0 1.8 5.0 130 127 A 46 GLU HA A 50 MET H 1.0 1.8 5.0 131 128 A 12 LYS H A 11 THR HB 1.0 1.8 5.0 132 129 A 21 VAL H A 20 VAL HB 1.0 1.8 5.0 133 130 A 21 VAL HB A 22 LEU H 1.0 1.8 5.0 134 131 A 25 ASN H A 24 ASP HB2 1.0 1.8 3.5 135 131 A 25 ASN H A 24 ASP HB3 1.0 1.8 3.5 136 132 A 32 THR H A 31 ILE HB 1.0 1.8 5.0 137 133 A 33 ASP H A 32 THR HB 1.0 1.8 5.0 138 134 A 35 LYS H A 34 THR HB 1.0 1.8 5.0 139 135 A 57 ILE HB A 58 VAL H 1.0 1.8 5.0 140 136 A 60 VAL HB A 61 GLY H 1.0 1.8 5.0 141 137 A 66 ASP H A 65 ILE HB 1.0 1.8 5.0 142 138 A 69 ASP H A 68 THR HB 1.0 1.8 5.0 143 139 A 77 ILE HB A 78 LYS H 1.0 1.8 5.0 144 140 A 79 VAL HB A 80 TRP H 1.0 1.8 5.0 145 141 A 84 ARG H A 83 THR HB 1.0 1.8 5.0 146 142 A 95 GLN H A 94 ILE HB 1.0 1.8 5.0 147 143 A 12 LYS H A 11 THR HG2% 1.0 1.8 5.0 148 144 A 14 GLN H A 13 MET HGx 1.0 1.8 5.0 149 144 A 14 GLN H A 13 MET HGy 1.0 1.8 5.0 150 145 A 15 SER H A 14 GLN HGx 1.0 1.8 5.0 151 145 A 15 SER H A 14 GLN HGy 1.0 1.8 5.0 152 146 A 17 VAL HG1% A 18 GLY H 1.0 1.8 5.0 153 147 A 21 VAL H A 20 VAL HG1% 1.0 1.8 5.0 154 148 A 23 LYS H A 22 LEU HD1% 1.0 1.8 5.0 155 149 A 23 LYS H A 22 LEU HD2% 1.0 1.8 5.0 156 150 A 23 LYS H A 22 LEU HG 1.0 1.8 5.0 157 151 A 23 LYS HDy A 24 ASP H 1.0 1.8 5.0 158 151 A 24 ASP H A 23 LYS HDx 1.0 1.8 5.0 159 152 A 24 ASP H A 23 LYS HGx 1.0 1.8 5.0 160 152 A 23 LYS HGy A 24 ASP H 1.0 1.8 5.0 161 153 A 27 ARG H A 26 GLU HGx 1.0 1.8 5.0 162 153 A 26 GLU HGy A 27 ARG H 1.0 1.8 5.0 163 154 A 27 ARG HGy A 28 ALA H 1.0 1.8 5.0 164 154 A 28 ALA H A 27 ARG HGx 1.0 1.8 5.0 165 155 A 30 LEU H A 29 ILE HG1y 1.0 1.8 5.0 166 155 A 29 ILE HG1x A 30 LEU H 1.0 1.8 5.0 167 156 A 29 ILE HG2% A 30 LEU H 1.0 1.8 5.0 168 157 A 31 ILE H A 30 LEU HD1% 1.0 1.8 5.0 169 158 A 32 THR H A 31 ILE HG2% 1.0 1.8 5.0 170 159 A 35 LYS H A 34 THR HG2% 1.0 1.8 5.0 171 160 A 36 ALA H A 35 LYS HGx 1.0 1.8 5.0 172 160 A 36 ALA H A 35 LYS HGy 1.0 1.8 5.0 173 161 A 40 GLU H A 39 LYS HDx 1.0 1.8 5.0 174 161 A 40 GLU H A 39 LYS HDy 1.0 1.8 5.0 175 162 A 40 GLU H A 39 LYS HGx 1.0 1.8 5.0 176 162 A 40 GLU H A 39 LYS HGy 1.0 1.8 5.0 177 163 A 41 ASP H A 40 GLU HGx 1.0 1.8 5.0 178 163 A 41 ASP H A 40 GLU HGy 1.0 1.8 5.0 179 164 A 45 SER H A 44 LEU HD2% 1.0 1.8 5.0 180 165 A 47 GLY H A 46 GLU HGx 1.0 1.8 5.0 181 165 A 47 GLY H A 46 GLU HGy 1.0 1.8 5.0 182 166 A 49 LEU HD1% A 50 MET H 1.0 1.8 5.0 183 167 A 49 LEU HD2% A 50 MET H 1.0 1.8 5.0 184 168 A 51 ASN H A 50 MET HGx 1.0 1.8 5.0 185 168 A 50 MET HGy A 51 ASN H 1.0 1.8 5.0 186 169 A 55 ASN H A 54 LYS HDx 1.0 1.8 5.0 187 169 A 55 ASN H A 54 LYS HDy 1.0 1.8 5.0 188 170 A 55 ASN H A 54 LYS HGx 1.0 1.8 5.0 189 170 A 55 ASN H A 54 LYS HGy 1.0 1.8 5.0 190 171 A 57 ILE HD1% A 58 VAL H 1.0 1.8 5.0 191 172 A 57 ILE HG1y A 58 VAL H 1.0 1.8 5.0 192 172 A 58 VAL H A 57 ILE HG1x 1.0 1.8 5.0 193 173 A 57 ILE HG2% A 58 VAL H 1.0 1.8 5.0 194 174 A 58 VAL HG1% A 59 ILE H 1.0 1.8 5.0 195 175 A 58 VAL HG2% A 59 ILE H 1.0 1.8 5.0 196 176 A 59 ILE HG2% A 60 VAL H 1.0 1.8 5.0 197 177 A 60 VAL HG1% A 61 GLY H 1.0 1.8 5.0 198 178 A 66 ASP H A 65 ILE HG1x 1.0 1.8 5.0 199 178 A 66 ASP H A 65 ILE HG1y 1.0 1.8 5.0 200 179 A 66 ASP H A 65 ILE HG2% 1.0 1.8 5.0 201 180 A 69 ASP H A 68 THR HG2% 1.0 1.8 5.0 202 181 A 72 LYS H A 71 LEU HD1% 1.0 1.8 5.0 203 182 A 72 LYS H A 71 LEU HD2% 1.0 1.8 5.0 204 183 A 73 ARG H A 72 LYS HGx 1.0 1.8 5.0 205 183 A 73 ARG H A 72 LYS HGy 1.0 1.8 5.0 206 184 A 74 GLY H A 73 ARG HGx 1.0 1.8 5.0 207 184 A 74 GLY H A 73 ARG HGy 1.0 1.8 5.0 208 185 A 76 LYS H A 75 GLU HGx 1.0 1.8 5.0 209 185 A 76 LYS H A 75 GLU HGy 1.0 1.8 5.0 210 186 A 76 LYS HGy A 77 ILE H 1.0 1.8 5.0 211 186 A 77 ILE H A 76 LYS HGx 1.0 1.8 5.0 212 187 A 77 ILE HG2% A 78 LYS H 1.0 1.8 5.0 213 188 A 78 LYS HGy A 79 VAL H 1.0 1.8 5.0 214 188 A 79 VAL H A 78 LYS HGx 1.0 1.8 5.0 215 189 A 79 VAL HG1% A 80 TRP H 1.0 1.8 5.0 216 190 A 79 VAL HG2% A 80 TRP H 1.0 1.8 5.0 217 191 A 82 HIS H A 81 PHE HD% 1.0 1.8 5.0 218 192 A 84 ARG H A 83 THR HG2% 1.0 1.8 5.0 219 193 A 85 LYS H A 84 ARG HDx 1.0 1.8 5.0 220 193 A 85 LYS H A 84 ARG HDy 1.0 1.8 5.0 221 194 A 85 LYS H A 84 ARG HGx 1.0 1.8 5.0 222 194 A 85 LYS H A 84 ARG HGy 1.0 1.8 5.0 223 195 A 86 GLU H A 85 LYS HGx 1.0 1.8 5.0 224 195 A 86 GLU H A 85 LYS HGy 1.0 1.8 5.0 225 196 A 93 THR HG2% A 94 ILE H 1.0 1.8 5.0 226 197 A 95 GLN H A 94 ILE HD1% 1.0 1.8 5.0 227 198 A 95 GLN H A 94 ILE HG1x 1.0 1.8 5.0 228 198 A 95 GLN H A 94 ILE HG1y 1.0 1.8 5.0 229 199 A 95 GLN H A 94 ILE HG2% 1.0 1.8 5.0 230 200 A 97 TYR H A 96 LYS HGy 1.0 1.8 5.0 231 201 A 97 TYR H A 96 LYS HGx 1.0 1.8 5.0 232 202 A 97 TYR HD% A 98 GLU H 1.0 1.8 5.0 233 203 A 99 LEU H A 98 GLU HGx 1.0 1.8 5.0 234 203 A 99 LEU H A 98 GLU HGy 1.0 1.8 5.0 235 204 A 99 LEU HD1% A 100 LEU H 1.0 1.8 5.0 236 205 A 99 LEU HD2% A 100 LEU H 1.0 1.8 5.0 237 206 A 99 LEU HG A 100 LEU H 1.0 1.8 5.0 238 207 A 101 LEU H A 100 LEU HD2% 1.0 1.8 5.0 239 208 A 43 ASN H A 44 LEU HG 1.0 1.8 5.0 240 209 A 56 ASN H A 57 ILE HG2% 1.0 1.8 5.0 241 210 A 76 LYS H A 77 ILE HG2% 1.0 1.8 5.0 242 211 A 26 GLU H A 24 ASP HB2 1.0 1.8 5.0 243 211 A 26 GLU H A 24 ASP HB3 1.0 1.8 5.0 244 212 A 35 LYS H A 33 ASP HBx 1.0 1.8 5.0 245 212 A 35 LYS H A 33 ASP HBy 1.0 1.8 5.0 246 213 A 47 GLY H A 45 SER HBx 1.0 1.8 5.0 247 213 A 47 GLY H A 45 SER HBy 1.0 1.8 5.0 248 214 A 83 THR H A 81 PHE HBx 1.0 1.8 5.0 249 214 A 83 THR H A 81 PHE HBy 1.0 1.8 5.0 250 215 A 87 SER H A 85 LYS HBx 1.0 1.8 5.0 251 215 A 87 SER H A 85 LYS HBy 1.0 1.8 5.0 252 216 A 96 LYS H A 94 ILE HB 1.0 1.8 5.0 253 217 A 20 VAL HG1% A 22 LEU H 1.0 1.8 5.0 254 218 A 33 ASP H A 31 ILE HG2% 1.0 1.8 5.0 255 219 A 58 VAL HG1% A 60 VAL H 1.0 1.8 5.0 256 220 A 67 ASN H A 65 ILE HG2% 1.0 1.8 5.0 257 221 A 83 THR H A 81 PHE HD% 1.0 1.8 5.0 258 222 A 87 SER H A 85 LYS HGx 1.0 1.8 5.0 259 222 A 87 SER H A 85 LYS HGy 1.0 1.8 5.0 260 223 A 96 LYS H A 94 ILE HD1% 1.0 1.8 5.0 261 224 A 96 LYS H A 94 ILE HG2% 1.0 1.8 5.0 262 225 A 27 ARG H A 24 ASP HB2 1.0 1.8 5.0 263 225 A 24 ASP HB3 A 27 ARG H 1.0 1.8 5.0 264 226 A 56 ASN H A 53 PHE HBx 1.0 1.8 5.0 265 226 A 56 ASN H A 53 PHE HBy 1.0 1.8 5.0 266 227 A 71 LEU H A 68 THR HG2% 1.0 1.8 5.0 267 228 A 48 GLN H A 44 LEU HBx 1.0 1.8 5.0 268 228 A 48 GLN H A 44 LEU HBy 1.0 1.8 5.0 269 229 A 39 LYS HA A 42 TYR HBx 1.0 1.8 5.0 270 229 A 39 LYS HA A 42 TYR HBy 1.0 1.8 5.0 271 230 A 40 GLU HA A 43 ASN HBx 1.0 1.8 5.0 272 230 A 40 GLU HA A 43 ASN HBy 1.0 1.8 5.0 273 231 A 41 ASP HA A 44 LEU HBx 1.0 1.8 5.0 274 231 A 41 ASP HA A 44 LEU HBy 1.0 1.8 5.0 275 232 A 46 GLU HA A 49 LEU HBx 1.0 1.8 5.0 276 232 A 46 GLU HA A 49 LEU HBy 1.0 1.8 5.0 277 233 A 47 GLY HAx A 50 MET HBx 1.0 1.8 5.0 278 233 A 47 GLY HAy A 50 MET HBx 1.0 1.8 5.0 279 233 A 50 MET HBy A 47 GLY HAx 1.0 1.8 5.0 280 233 A 47 GLY HAy A 50 MET HBy 1.0 1.8 5.0 281 234 A 48 GLN HA A 51 ASN HBx 1.0 1.8 5.0 282 234 A 48 GLN HA A 51 ASN HBy 1.0 1.8 5.0 283 235 A 49 LEU HA A 52 LYS HBx 1.0 1.8 5.0 284 235 A 49 LEU HA A 52 LYS HBy 1.0 1.8 5.0 285 236 A 39 LYS HA A 42 TYR HD% 1.0 1.8 5.0 286 237 A 39 LYS HA A 42 TYR HE% 1.0 1.8 5.0 287 238 A 40 GLU HA A 43 ASN HD2y 1.0 1.8 5.0 288 238 A 40 GLU HA A 43 ASN HD2x 1.0 1.8 5.0 289 239 A 41 ASP HA A 44 LEU HD1% 1.0 1.8 5.0 290 240 A 41 ASP HA A 44 LEU HG 1.0 1.8 5.0 291 241 A 46 GLU HA A 49 LEU HD1% 1.0 1.8 5.0 292 242 A 50 MET HE% A 47 GLY HAx 1.0 1.8 5.0 293 242 A 47 GLY HAy A 50 MET HE% 1.0 1.8 5.0 294 243 A 54 LYS HA A 57 ILE HG2% 1.0 1.8 5.0 295 244 A 68 THR HA A 71 LEU HD1% 1.0 1.8 5.0 296 245 A 14 GLN H A 81 PHE H 1.0 1.8 5.0 297 246 A 16 LEU H A 79 VAL H 1.0 1.8 5.0 298 247 A 18 GLY H A 77 ILE H 1.0 1.8 5.0 299 248 A 20 VAL H A 75 GLU H 1.0 1.8 5.0 300 249 A 22 LEU H A 29 ILE H 1.0 1.8 5.0 301 250 A 27 ARG H A 24 ASP H 1.0 1.8 5.0 302 251 A 28 ALA H A 60 VAL H 1.0 1.8 5.0 303 252 A 30 LEU H A 58 VAL H 1.0 1.8 5.0 304 253 A 38 GLY H A 41 ASP H 1.0 1.8 5.0 305 254 A 45 SER H A 48 GLN H 1.0 1.8 5.0 306 255 A 92 ALA H A 59 ILE H 1.0 1.8 5.0 307 256 A 92 ALA H A 61 GLY H 1.0 1.8 5.0 308 257 A 61 GLY H A 94 ILE H 1.0 1.8 5.0 309 258 A 78 LYS H A 98 GLU H 1.0 1.8 5.0 310 259 A 96 LYS H A 80 TRP H 1.0 1.8 5.0 311 260 A 85 LYS H A 91 SER H 1.0 1.8 5.0 312 261 A 87 SER H A 91 SER H 1.0 1.8 5.0 313 262 A 15 SER HA A 81 PHE H 1.0 1.8 5.0 314 263 A 17 VAL HA A 79 VAL H 1.0 1.8 5.0 315 264 A 19 TYR HA A 77 ILE H 1.0 1.8 5.0 316 265 A 23 LYS HA A 29 ILE H 1.0 1.8 5.0 317 266 A 26 GLU HA A 62 LEU H 1.0 1.8 5.0 318 267 A 27 ARG HA A 62 LEU H 1.0 1.8 5.0 319 268 A 29 ILE HA A 60 VAL H 1.0 1.8 5.0 320 269 A 31 ILE HA A 58 VAL H 1.0 1.8 5.0 321 270 A 60 VAL HA A 92 ALA H 1.0 1.8 5.0 322 271 A 77 ILE HA A 100 LEU H 1.0 1.8 5.0 323 272 A 79 VAL HA A 98 GLU H 1.0 1.8 5.0 324 273 A 95 GLN H A 81 PHE HA 1.0 1.8 5.0 325 274 A 14 GLN H A 82 HIS HA 1.0 1.8 5.0 326 275 A 78 LYS HA A 16 LEU H 1.0 1.8 5.0 327 276 A 80 TRP HA A 16 LEU H 1.0 1.8 5.0 328 277 A 78 LYS HA A 18 GLY H 1.0 1.8 5.0 329 278 A 76 LYS HA A 20 VAL H 1.0 1.8 5.0 330 279 A 21 VAL H A 30 LEU HA 1.0 1.8 5.0 331 280 A 28 ALA HA A 24 ASP H 1.0 1.8 5.0 332 281 A 61 GLY HAy A 28 ALA H 1.0 1.8 5.0 333 281 A 28 ALA H A 61 GLY HAx 1.0 1.8 5.0 334 282 A 59 ILE HA A 30 LEU H 1.0 1.8 5.0 335 283 A 32 THR H A 57 ILE HA 1.0 1.8 5.0 336 284 A 91 SER HA A 59 ILE H 1.0 1.8 5.0 337 285 A 93 THR HA A 61 GLY H 1.0 1.8 5.0 338 286 A 99 LEU HA A 78 LYS H 1.0 1.8 5.0 339 287 A 97 TYR HA A 80 TRP H 1.0 1.8 5.0 340 288 A 82 HIS H A 94 ILE HA 1.0 1.8 5.0 341 289 A 85 LYS H A 92 ALA HA 1.0 1.8 5.0 342 290 A 87 SER H A 90 PRO HA 1.0 1.8 5.0 343 291 A 15 SER HA A 80 TRP HA 1.0 1.8 5.0 344 292 A 17 VAL HA A 78 LYS HA 1.0 1.8 5.0 345 293 A 19 TYR HA A 76 LYS HA 1.0 1.8 5.0 346 294 A 20 VAL HA A 30 LEU HA 1.0 1.8 5.0 347 295 A 23 LYS HA A 28 ALA HA 1.0 1.8 5.0 348 296 A 27 ARG HA A 61 GLY HAx 1.0 1.8 5.0 349 296 A 27 ARG HA A 61 GLY HAy 1.0 1.8 5.0 350 297 A 29 ILE HA A 59 ILE HA 1.0 1.8 5.0 351 298 A 31 ILE HA A 57 ILE HA 1.0 1.8 5.0 352 299 A 77 ILE HA A 99 LEU HA 1.0 1.8 5.0 353 300 A 79 VAL HA A 97 TYR HA 1.0 1.8 5.0 354 301 A 86 GLU HA A 90 PRO HA 1.0 1.8 5.0 355 302 A 16 LEU HD1% A 79 VAL H 1.0 1.8 5.0 356 303 A 74 GLY H A 20 VAL HB 1.0 1.8 5.0 357 304 A 20 VAL HB A 75 GLU H 1.0 1.8 5.0 358 305 A 73 ARG H A 20 VAL HG1% 1.0 1.8 5.0 359 306 A 74 GLY H A 20 VAL HG1% 1.0 1.8 5.0 360 307 A 20 VAL HG1% A 75 GLU H 1.0 1.8 5.0 361 308 A 20 VAL HG2% A 75 GLU H 1.0 1.8 5.0 362 309 A 31 ILE H A 21 VAL HGx% 1.0 1.8 5.0 363 309 A 31 ILE H A 21 VAL HGy% 1.0 1.8 5.0 364 310 A 46 GLU H A 22 LEU HD1% 1.0 1.8 5.0 365 311 A 46 GLU H A 22 LEU HD2% 1.0 1.8 5.0 366 312 A 30 LEU HBy A 58 VAL H 1.0 1.8 5.0 367 312 A 58 VAL H A 30 LEU HBx 1.0 1.8 5.0 368 313 A 41 ASP H A 37 PRO HBx 1.0 1.8 5.0 369 313 A 41 ASP H A 37 PRO HBy 1.0 1.8 5.0 370 314 A 74 GLY H A 42 TYR HE% 1.0 1.8 5.0 371 315 A 44 LEU HBy A 49 LEU H 1.0 1.8 5.0 372 315 A 49 LEU H A 44 LEU HBx 1.0 1.8 5.0 373 316 A 92 ALA H A 58 VAL HG1% 1.0 1.8 5.0 374 317 A 92 ALA H A 60 VAL HG1% 1.0 1.8 5.0 375 318 A 96 LYS H A 65 ILE HD1% 1.0 1.8 5.0 376 319 A 97 TYR H A 65 ILE HD1% 1.0 1.8 5.0 377 320 A 77 ILE HB A 98 GLU H 1.0 1.8 5.0 378 321 A 77 ILE HD1% A 98 GLU H 1.0 1.8 5.0 379 322 A 77 ILE HG2% A 98 GLU H 1.0 1.8 5.0 380 323 A 79 VAL HG1% A 98 GLU H 1.0 1.8 5.0 381 324 A 80 TRP HZ3 A 98 GLU H 1.0 1.8 5.0 382 325 A 85 LYS HBy A 91 SER H 1.0 1.8 5.0 383 325 A 91 SER H A 85 LYS HBx 1.0 1.8 5.0 384 326 A 79 VAL HG2% A 16 LEU H 1.0 1.8 5.0 385 327 A 81 PHE HE% A 16 LEU H 1.0 1.8 5.0 386 328 A 30 LEU HD1% A 18 GLY H 1.0 1.8 5.0 387 329 A 30 LEU HD1% A 19 TYR H 1.0 1.8 5.0 388 330 A 21 VAL H A 30 LEU HD2% 1.0 1.8 5.0 389 331 A 29 ILE HB A 22 LEU H 1.0 1.8 5.0 390 332 A 27 ARG H A 62 LEU HD1% 1.0 1.8 5.0 391 333 A 60 VAL HG2% A 28 ALA H 1.0 1.8 5.0 392 334 A 62 LEU HD1% A 28 ALA H 1.0 1.8 5.0 393 335 A 62 LEU HG A 28 ALA H 1.0 1.8 5.0 394 336 A 58 VAL HG1% A 30 LEU H 1.0 1.8 5.0 395 337 A 32 THR H A 56 ASN HBx 1.0 1.8 5.0 396 337 A 32 THR H A 56 ASN HBy 1.0 1.8 5.0 397 338 A 38 GLY H A 41 ASP HBx 1.0 1.8 5.0 398 338 A 38 GLY H A 41 ASP HBy 1.0 1.8 5.0 399 339 A 45 SER H A 48 GLN HBx 1.0 1.8 5.0 400 339 A 45 SER H A 48 GLN HBy 1.0 1.8 5.0 401 340 A 57 ILE HD1% A 50 MET H 1.0 1.8 5.0 402 341 A 55 ASN H A 57 ILE HG2% 1.0 1.8 5.0 403 342 A 91 SER HBy A 59 ILE H 1.0 1.8 5.0 404 342 A 59 ILE H A 91 SER HBx 1.0 1.8 5.0 405 343 A 93 THR HG2% A 61 GLY H 1.0 1.8 5.0 406 344 A 94 ILE HG2% A 61 GLY H 1.0 1.8 5.0 407 345 A 63 SER H A 93 THR HG2% 1.0 1.8 5.0 408 346 A 64 GLU H A 93 THR HG2% 1.0 1.8 5.0 409 347 A 72 LYS H A 75 GLU HGx 1.0 1.8 5.0 410 347 A 72 LYS H A 75 GLU HGy 1.0 1.8 5.0 411 348 A 100 LEU HD1% A 78 LYS H 1.0 1.8 5.0 412 349 A 100 LEU HD2% A 78 LYS H 1.0 1.8 5.0 413 350 A 100 LEU HG A 78 LYS H 1.0 1.8 5.0 414 351 A 98 GLU HBy A 78 LYS H 1.0 1.8 5.0 415 351 A 78 LYS H A 98 GLU HBx 1.0 1.8 5.0 416 352 A 94 ILE HB A 80 TRP H 1.0 1.8 5.0 417 353 A 94 ILE HD1% A 80 TRP H 1.0 1.8 5.0 418 354 A 85 LYS H A 92 ALA HB% 1.0 1.8 5.0 419 355 A 15 SER HA A 79 VAL HG2% 1.0 1.8 5.0 420 356 A 15 SER HA A 80 TRP HD1 1.0 1.8 5.0 421 357 A 80 TRP HA A 15 SER HBx 1.0 1.8 5.0 422 357 A 80 TRP HA A 15 SER HBy 1.0 1.8 5.0 423 358 A 78 LYS HA A 17 VAL HG2% 1.0 1.8 5.0 424 359 A 18 GLY HAy A 30 LEU HBx 1.0 1.8 5.0 425 359 A 18 GLY HAx A 30 LEU HBx 1.0 1.8 5.0 426 359 A 30 LEU HBy A 18 GLY HAx 1.0 1.8 5.0 427 359 A 30 LEU HBy A 18 GLY HAy 1.0 1.8 5.0 428 360 A 30 LEU HD1% A 18 GLY HAx 1.0 1.8 5.0 429 360 A 30 LEU HD1% A 18 GLY HAy 1.0 1.8 5.0 430 361 A 32 THR HG2% A 18 GLY HAx 1.0 1.8 5.0 431 361 A 18 GLY HAy A 32 THR HG2% 1.0 1.8 5.0 432 362 A 19 TYR HE% A 34 THR HA 1.0 1.8 5.0 433 363 A 20 VAL HA A 30 LEU HD1% 1.0 1.8 5.0 434 364 A 20 VAL HA A 30 LEU HD2% 1.0 1.8 5.0 435 365 A 73 ARG HA A 20 VAL HB 1.0 1.8 5.0 436 366 A 73 ARG HA A 20 VAL HG1% 1.0 1.8 5.0 437 367 A 73 ARG HA A 20 VAL HG2% 1.0 1.8 5.0 438 368 A 42 TYR HD% A 21 VAL HA 1.0 1.8 5.0 439 369 A 42 TYR HA A 21 VAL HGy% 1.0 1.8 5.0 440 369 A 42 TYR HA A 21 VAL HGx% 1.0 1.8 5.0 441 370 A 30 LEU HA A 21 VAL HGy% 1.0 1.8 5.0 442 370 A 30 LEU HA A 21 VAL HGx% 1.0 1.8 5.0 443 371 A 22 LEU HA A 73 ARG HDx 1.0 1.8 5.0 444 371 A 22 LEU HA A 73 ARG HDy 1.0 1.8 5.0 445 372 A 22 LEU HA A 73 ARG HGx 1.0 1.8 5.0 446 372 A 22 LEU HA A 73 ARG HGy 1.0 1.8 5.0 447 373 A 46 GLU HA A 22 LEU HD1% 1.0 1.8 5.0 448 374 A 26 GLU HA A 62 LEU HBx 1.0 1.8 5.0 449 374 A 26 GLU HA A 62 LEU HBy 1.0 1.8 5.0 450 375 A 26 GLU HA A 62 LEU HD1% 1.0 1.8 5.0 451 376 A 27 ARG HA A 62 LEU HD1% 1.0 1.8 5.0 452 377 A 27 ARG HA A 62 LEU HD2% 1.0 1.8 5.0 453 378 A 27 ARG HA A 62 LEU HG 1.0 1.8 5.0 454 379 A 46 GLU HA A 29 ILE HD1% 1.0 1.8 5.0 455 380 A 31 ILE HD1% A 37 PRO HA 1.0 1.8 5.0 456 381 A 57 ILE HA A 31 ILE HD1% 1.0 1.8 5.0 457 382 A 57 ILE HA A 31 ILE HG2% 1.0 1.8 5.0 458 383 A 57 ILE HA A 32 THR HG2% 1.0 1.8 5.0 459 384 A 37 PRO HA A 41 ASP HBx 1.0 1.8 5.0 460 384 A 41 ASP HBy A 37 PRO HA 1.0 1.8 5.0 461 385 A 37 PRO HA A 53 PHE HZ 1.0 1.8 5.0 462 386 A 42 TYR HE% A 74 GLY HAx 1.0 1.8 5.0 463 386 A 42 TYR HE% A 74 GLY HAy 1.0 1.8 5.0 464 387 A 48 GLN HA A 44 LEU HBx 1.0 1.8 5.0 465 387 A 48 GLN HA A 44 LEU HBy 1.0 1.8 5.0 466 388 A 49 LEU HA A 44 LEU HD1% 1.0 1.8 5.0 467 389 A 49 LEU HA A 53 PHE HD% 1.0 1.8 5.0 468 390 A 50 MET HA A 57 ILE HD1% 1.0 1.8 5.0 469 391 A 50 MET HA A 57 ILE HG1x 1.0 1.8 5.0 470 391 A 50 MET HA A 57 ILE HG1y 1.0 1.8 5.0 471 392 A 50 MET HA A 57 ILE HG2% 1.0 1.8 5.0 472 393 A 58 VAL HA A 90 PRO HDx 1.0 1.8 5.0 473 393 A 58 VAL HA A 90 PRO HDy 1.0 1.8 5.0 474 394 A 58 VAL HA A 90 PRO HGx 1.0 1.8 5.0 475 394 A 58 VAL HA A 90 PRO HGy 1.0 1.8 5.0 476 395 A 91 SER HA A 58 VAL HG1% 1.0 1.8 5.0 477 396 A 91 SER HA A 58 VAL HG2% 1.0 1.8 5.0 478 397 A 91 SER HA A 59 ILE HB 1.0 1.8 5.0 479 398 A 91 SER HA A 59 ILE HG2% 1.0 1.8 5.0 480 399 A 60 VAL HA A 92 ALA HB% 1.0 1.8 5.0 481 400 A 60 VAL HA A 94 ILE HG2% 1.0 1.8 5.0 482 401 A 65 ILE HD1% A 95 GLN HA 1.0 1.8 5.0 483 402 A 96 LYS HA A 65 ILE HD1% 1.0 1.8 5.0 484 403 A 95 GLN HA A 65 ILE HG1x 1.0 1.8 5.0 485 403 A 65 ILE HG1y A 95 GLN HA 1.0 1.8 5.0 486 404 A 71 LEU HA A 99 LEU HD2% 1.0 1.8 5.0 487 405 A 77 ILE HA A 100 LEU HD1% 1.0 1.8 5.0 488 406 A 77 ILE HA A 100 LEU HG 1.0 1.8 5.0 489 407 A 99 LEU HA A 77 ILE HB 1.0 1.8 5.0 490 408 A 99 LEU HA A 77 ILE HG2% 1.0 1.8 5.0 491 409 A 79 VAL HA A 94 ILE HG2% 1.0 1.8 5.0 492 410 A 79 VAL HA A 97 TYR HBx 1.0 1.8 5.0 493 410 A 79 VAL HA A 97 TYR HBy 1.0 1.8 5.0 494 411 A 79 VAL HA A 97 TYR HD% 1.0 1.8 5.0 495 412 A 97 TYR HA A 79 VAL HG1% 1.0 1.8 5.0 496 413 A 97 TYR HA A 80 TRP HE3 1.0 1.8 5.0 497 414 A 97 TYR HA A 80 TRP HZ3 1.0 1.8 5.0 498 415 A 81 PHE HA A 94 ILE HG2% 1.0 1.8 5.0 499 416 A 81 PHE HA A 95 GLN HGx 1.0 1.8 5.0 500 416 A 81 PHE HA A 95 GLN HGy 1.0 1.8 5.0 501 417 A 84 ARG HA A 92 ALA HB% 1.0 1.8 5.0 502 418 A 86 GLU HA A 90 PRO HBx 1.0 1.8 5.0 503 418 A 86 GLU HA A 90 PRO HBy 1.0 1.8 5.0 504 419 A 88 ASN HA A 90 PRO HDx 1.0 1.8 5.0 505 419 A 90 PRO HDy A 88 ASN HA 1.0 1.8 5.0 506 420 A 13 MET HBx A 80 TRP HBx 1.0 1.8 5.0 507 420 A 13 MET HBy A 80 TRP HBx 1.0 1.8 5.0 508 420 A 80 TRP HBy A 13 MET HBx 1.0 1.8 5.0 509 420 A 13 MET HBy A 80 TRP HBy 1.0 1.8 5.0 510 421 A 80 TRP HD1 A 13 MET HBx 1.0 1.8 5.0 511 421 A 80 TRP HD1 A 13 MET HBy 1.0 1.8 5.0 512 422 A 80 TRP HE3 A 13 MET HBx 1.0 1.8 5.0 513 422 A 80 TRP HE3 A 13 MET HBy 1.0 1.8 5.0 514 423 A 13 MET HE% A 80 TRP HBx 1.0 1.8 5.0 515 423 A 80 TRP HBy A 13 MET HE% 1.0 1.8 5.0 516 424 A 80 TRP HD1 A 13 MET HE% 1.0 1.8 5.0 517 425 A 80 TRP HE3 A 13 MET HE% 1.0 1.8 5.0 518 426 A 13 MET HE% A 96 LYS HDy 1.0 1.8 5.0 519 426 A 13 MET HE% A 96 LYS HDx 1.0 1.8 5.0 520 427 A 13 MET HGx A 80 TRP HBx 1.0 1.8 5.0 521 427 A 80 TRP HBy A 13 MET HGx 1.0 1.8 5.0 522 427 A 13 MET HGy A 80 TRP HBy 1.0 1.8 5.0 523 427 A 13 MET HGy A 80 TRP HBx 1.0 1.8 5.0 524 428 A 80 TRP HD1 A 13 MET HGx 1.0 1.8 5.0 525 428 A 13 MET HGy A 80 TRP HD1 1.0 1.8 5.0 526 429 A 81 PHE HE% A 14 GLN HBx 1.0 1.8 5.0 527 429 A 81 PHE HE% A 14 GLN HBy 1.0 1.8 5.0 528 430 A 81 PHE HZ A 14 GLN HBx 1.0 1.8 5.0 529 430 A 14 GLN HBy A 81 PHE HZ 1.0 1.8 5.0 530 431 A 15 SER HBx A 78 LYS HDx 1.0 1.8 5.0 531 431 A 15 SER HBy A 78 LYS HDx 1.0 1.8 5.0 532 431 A 78 LYS HDy A 15 SER HBx 1.0 1.8 5.0 533 431 A 15 SER HBy A 78 LYS HDy 1.0 1.8 5.0 534 432 A 15 SER HBy A 78 LYS HEx 1.0 1.8 5.0 535 432 A 15 SER HBx A 78 LYS HEx 1.0 1.8 5.0 536 432 A 78 LYS HEy A 15 SER HBx 1.0 1.8 5.0 537 432 A 15 SER HBy A 78 LYS HEy 1.0 1.8 5.0 538 433 A 15 SER HBx A 78 LYS HGx 1.0 1.8 5.0 539 433 A 78 LYS HGy A 15 SER HBx 1.0 1.8 5.0 540 433 A 78 LYS HGy A 15 SER HBy 1.0 1.8 5.0 541 433 A 15 SER HBy A 78 LYS HGx 1.0 1.8 5.0 542 434 A 80 TRP HD1 A 15 SER HBx 1.0 1.8 5.0 543 434 A 80 TRP HD1 A 15 SER HBy 1.0 1.8 5.0 544 435 A 80 TRP HE1 A 15 SER HBx 1.0 1.8 5.0 545 435 A 15 SER HBy A 80 TRP HE1 1.0 1.8 5.0 546 436 A 32 THR HG2% A 16 LEU HBx 1.0 1.8 5.0 547 436 A 32 THR HG2% A 16 LEU HBy 1.0 1.8 5.0 548 437 A 79 VAL HG2% A 16 LEU HBx 1.0 1.8 5.0 549 437 A 79 VAL HG2% A 16 LEU HBy 1.0 1.8 5.0 550 438 A 81 PHE HE% A 16 LEU HBx 1.0 1.8 5.0 551 438 A 81 PHE HE% A 16 LEU HBy 1.0 1.8 5.0 552 439 A 16 LEU HD1% A 32 THR HG2% 1.0 1.8 5.0 553 440 A 58 VAL HG1% A 16 LEU HD1% 1.0 1.8 5.0 554 441 A 79 VAL HG2% A 16 LEU HD1% 1.0 1.8 5.0 555 442 A 16 LEU HD1% A 81 PHE HE% 1.0 1.8 5.0 556 443 A 16 LEU HD1% A 81 PHE HZ 1.0 1.8 5.0 557 444 A 32 THR HG2% A 16 LEU HD2% 1.0 1.8 5.0 558 445 A 81 PHE HE% A 16 LEU HD2% 1.0 1.8 5.0 559 446 A 81 PHE HZ A 16 LEU HD2% 1.0 1.8 5.0 560 447 A 81 PHE HE% A 16 LEU HG 1.0 1.8 5.0 561 448 A 81 PHE HZ A 16 LEU HG 1.0 1.8 5.0 562 449 A 17 VAL HG1% A 76 LYS HEx 1.0 1.8 5.0 563 449 A 17 VAL HG1% A 76 LYS HEy 1.0 1.8 5.0 564 450 A 17 VAL HG2% A 78 LYS HBx 1.0 1.8 5.0 565 450 A 17 VAL HG2% A 78 LYS HBy 1.0 1.8 5.0 566 451 A 17 VAL HG2% A 78 LYS HDx 1.0 1.8 5.0 567 451 A 17 VAL HG2% A 78 LYS HDy 1.0 1.8 5.0 568 452 A 17 VAL HG2% A 78 LYS HEx 1.0 1.8 5.0 569 452 A 17 VAL HG2% A 78 LYS HEy 1.0 1.8 5.0 570 453 A 17 VAL HG2% A 78 LYS HGx 1.0 1.8 5.0 571 453 A 78 LYS HGy A 17 VAL HG2% 1.0 1.8 5.0 572 454 A 21 VAL HGy% A 19 TYR HBy 1.0 1.8 5.0 573 454 A 19 TYR HBy A 21 VAL HGx% 1.0 1.8 5.0 574 454 A 21 VAL HGy% A 19 TYR HBx 1.0 1.8 5.0 575 454 A 19 TYR HBx A 21 VAL HGx% 1.0 1.8 5.0 576 455 A 31 ILE HB A 19 TYR HBx 1.0 1.8 5.0 577 455 A 31 ILE HB A 19 TYR HBy 1.0 1.8 5.0 578 456 A 19 TYR HBx A 37 PRO HGx 1.0 1.8 5.0 579 456 A 19 TYR HBy A 37 PRO HGx 1.0 1.8 5.0 580 456 A 37 PRO HGy A 19 TYR HBx 1.0 1.8 5.0 581 456 A 19 TYR HBy A 37 PRO HGy 1.0 1.8 5.0 582 457 A 31 ILE HB A 19 TYR HD% 1.0 1.8 5.0 583 458 A 19 TYR HD% A 36 ALA HB% 1.0 1.8 5.0 584 459 A 19 TYR HD% A 37 PRO HDy 1.0 1.8 5.0 585 459 A 19 TYR HD% A 37 PRO HDx 1.0 1.8 5.0 586 460 A 19 TYR HD% A 76 LYS HBx 1.0 1.8 5.0 587 460 A 19 TYR HD% A 76 LYS HBy 1.0 1.8 5.0 588 461 A 19 TYR HE% A 36 ALA HB% 1.0 1.8 5.0 589 462 A 19 TYR HE% A 76 LYS HBx 1.0 1.8 5.0 590 462 A 19 TYR HE% A 76 LYS HBy 1.0 1.8 5.0 591 463 A 19 TYR HE% A 76 LYS HDx 1.0 1.8 5.0 592 463 A 19 TYR HE% A 76 LYS HDy 1.0 1.8 5.0 593 464 A 19 TYR HE% A 76 LYS HEx 1.0 1.8 5.0 594 464 A 19 TYR HE% A 76 LYS HEy 1.0 1.8 5.0 595 465 A 20 VAL HG1% A 23 LYS HBx 1.0 1.8 5.0 596 465 A 20 VAL HG1% A 23 LYS HBy 1.0 1.8 5.0 597 466 A 20 VAL HG1% A 23 LYS HDx 1.0 1.8 5.0 598 466 A 20 VAL HG1% A 23 LYS HDy 1.0 1.8 5.0 599 467 A 20 VAL HG1% A 23 LYS HGx 1.0 1.8 5.0 600 467 A 20 VAL HG1% A 23 LYS HGy 1.0 1.8 5.0 601 468 A 20 VAL HG1% A 71 LEU HD2% 1.0 1.8 5.0 602 469 A 20 VAL HG1% A 71 LEU HG 1.0 1.8 5.0 603 470 A 20 VAL HG1% A 73 ARG HBx 1.0 1.8 5.0 604 470 A 20 VAL HG1% A 73 ARG HBy 1.0 1.8 5.0 605 471 A 20 VAL HG2% A 28 ALA HB% 1.0 1.8 5.0 606 472 A 30 LEU HD1% A 20 VAL HG2% 1.0 1.8 5.0 607 473 A 20 VAL HG2% A 30 LEU HD2% 1.0 1.8 5.0 608 474 A 71 LEU HD1% A 20 VAL HG2% 1.0 1.8 5.0 609 475 A 71 LEU HD2% A 20 VAL HG2% 1.0 1.8 5.0 610 476 A 20 VAL HG2% A 75 GLU HBx 1.0 1.8 5.0 611 476 A 20 VAL HG2% A 75 GLU HBy 1.0 1.8 5.0 612 477 A 20 VAL HG2% A 77 ILE HD1% 1.0 1.8 5.0 613 478 A 97 TYR HD% A 20 VAL HG2% 1.0 1.8 5.0 614 479 A 21 VAL HB A 31 ILE HG1x 1.0 1.8 5.0 615 479 A 21 VAL HB A 31 ILE HG1y 1.0 1.8 5.0 616 480 A 21 VAL HB A 31 ILE HD1% 1.0 1.8 5.0 617 481 A 21 VAL HB A 42 TYR HD% 1.0 1.8 5.0 618 482 A 21 VAL HB A 42 TYR HE% 1.0 1.8 5.0 619 483 A 21 VAL HB A 49 LEU HD2% 1.0 1.8 5.0 620 484 A 21 VAL HGy% A 29 ILE HB 1.0 1.8 5.0 621 484 A 29 ILE HB A 21 VAL HGx% 1.0 1.8 5.0 622 485 A 21 VAL HGy% A 31 ILE HD1% 1.0 1.8 5.0 623 485 A 31 ILE HD1% A 21 VAL HGx% 1.0 1.8 5.0 624 486 A 21 VAL HGx% A 37 PRO HBx 1.0 1.8 5.0 625 486 A 21 VAL HGy% A 37 PRO HBy 1.0 1.8 5.0 626 486 A 37 PRO HBy A 21 VAL HGx% 1.0 1.8 5.0 627 486 A 21 VAL HGy% A 37 PRO HBx 1.0 1.8 5.0 628 487 A 21 VAL HGy% A 37 PRO HGx 1.0 1.8 5.0 629 487 A 21 VAL HGx% A 37 PRO HGx 1.0 1.8 5.0 630 487 A 21 VAL HGy% A 37 PRO HGy 1.0 1.8 5.0 631 487 A 37 PRO HGy A 21 VAL HGx% 1.0 1.8 5.0 632 488 A 42 TYR HD% A 21 VAL HGy% 1.0 1.8 5.0 633 488 A 42 TYR HD% A 21 VAL HGx% 1.0 1.8 5.0 634 489 A 42 TYR HE% A 21 VAL HGx% 1.0 1.8 5.0 635 489 A 42 TYR HE% A 21 VAL HGy% 1.0 1.8 5.0 636 490 A 22 LEU HD1% A 29 ILE HD1% 1.0 1.8 5.0 637 491 A 22 LEU HD1% A 46 GLU HBx 1.0 1.8 5.0 638 491 A 22 LEU HD1% A 46 GLU HBy 1.0 1.8 5.0 639 492 A 22 LEU HD1% A 46 GLU HGx 1.0 1.8 5.0 640 492 A 22 LEU HD1% A 46 GLU HGy 1.0 1.8 5.0 641 493 A 28 ALA HB% A 23 LYS HBx 1.0 1.8 5.0 642 493 A 23 LYS HBy A 28 ALA HB% 1.0 1.8 5.0 643 494 A 62 LEU HD1% A 23 LYS HEx 1.0 1.8 5.0 644 494 A 62 LEU HD1% A 23 LYS HEy 1.0 1.8 5.0 645 495 A 68 THR HB A 23 LYS HEx 1.0 1.8 5.0 646 495 A 68 THR HB A 23 LYS HEy 1.0 1.8 5.0 647 496 A 68 THR HG2% A 23 LYS HEx 1.0 1.8 5.0 648 496 A 68 THR HG2% A 23 LYS HEy 1.0 1.8 5.0 649 497 A 23 LYS HEx A 71 LEU HBx 1.0 1.8 5.0 650 497 A 23 LYS HEy A 71 LEU HBx 1.0 1.8 5.0 651 497 A 71 LEU HBy A 23 LYS HEx 1.0 1.8 5.0 652 497 A 23 LYS HEy A 71 LEU HBy 1.0 1.8 5.0 653 498 A 71 LEU HD1% A 23 LYS HEx 1.0 1.8 5.0 654 498 A 71 LEU HD1% A 23 LYS HEy 1.0 1.8 5.0 655 499 A 71 LEU HD2% A 23 LYS HEx 1.0 1.8 5.0 656 499 A 71 LEU HD2% A 23 LYS HEy 1.0 1.8 5.0 657 500 A 71 LEU HG A 23 LYS HEx 1.0 1.8 5.0 658 500 A 71 LEU HG A 23 LYS HEy 1.0 1.8 5.0 659 501 A 59 ILE HG2% A 27 ARG HBx 1.0 1.8 5.0 660 501 A 59 ILE HG2% A 27 ARG HBy 1.0 1.8 5.0 661 502 A 59 ILE HG2% A 27 ARG HDx 1.0 1.8 5.0 662 502 A 59 ILE HG2% A 27 ARG HDy 1.0 1.8 5.0 663 503 A 59 ILE HG2% A 27 ARG HE 1.0 1.8 5.0 664 504 A 59 ILE HG2% A 27 ARG HGx 1.0 1.8 5.0 665 504 A 27 ARG HGy A 59 ILE HG2% 1.0 1.8 5.0 666 505 A 30 LEU HD1% A 28 ALA HB% 1.0 1.8 5.0 667 506 A 30 LEU HD2% A 28 ALA HB% 1.0 1.8 5.0 668 507 A 60 VAL HB A 28 ALA HB% 1.0 1.8 5.0 669 508 A 60 VAL HG1% A 28 ALA HB% 1.0 1.8 5.0 670 509 A 60 VAL HG2% A 28 ALA HB% 1.0 1.8 5.0 671 510 A 62 LEU HD1% A 28 ALA HB% 1.0 1.8 5.0 672 511 A 62 LEU HD2% A 28 ALA HB% 1.0 1.8 5.0 673 512 A 71 LEU HD2% A 28 ALA HB% 1.0 1.8 5.0 674 513 A 29 ILE HD1% A 46 GLU HBx 1.0 1.8 5.0 675 513 A 29 ILE HD1% A 46 GLU HBy 1.0 1.8 5.0 676 514 A 29 ILE HD1% A 46 GLU HGx 1.0 1.8 5.0 677 514 A 46 GLU HGy A 29 ILE HD1% 1.0 1.8 5.0 678 515 A 29 ILE HG2% A 57 ILE HG1x 1.0 1.8 5.0 679 515 A 29 ILE HG2% A 57 ILE HG1y 1.0 1.8 5.0 680 516 A 58 VAL HB A 30 LEU HBx 1.0 1.8 5.0 681 516 A 30 LEU HBy A 58 VAL HB 1.0 1.8 5.0 682 517 A 58 VAL HG1% A 30 LEU HBx 1.0 1.8 5.0 683 517 A 58 VAL HG1% A 30 LEU HBy 1.0 1.8 5.0 684 518 A 30 LEU HD1% A 60 VAL HG1% 1.0 1.8 5.0 685 519 A 30 LEU HD1% A 60 VAL HG2% 1.0 1.8 5.0 686 520 A 30 LEU HD1% A 77 ILE HD1% 1.0 1.8 5.0 687 521 A 30 LEU HD1% A 79 VAL HG2% 1.0 1.8 5.0 688 522 A 30 LEU HD2% A 60 VAL HG2% 1.0 1.8 5.0 689 523 A 77 ILE HD1% A 30 LEU HD2% 1.0 1.8 5.0 690 524 A 60 VAL HG1% A 30 LEU HG 1.0 1.8 5.0 691 525 A 60 VAL HG2% A 30 LEU HG 1.0 1.8 5.0 692 526 A 31 ILE HB A 37 PRO HGx 1.0 1.8 5.0 693 526 A 31 ILE HB A 37 PRO HGy 1.0 1.8 5.0 694 527 A 31 ILE HD1% A 37 PRO HBx 1.0 1.8 5.0 695 527 A 37 PRO HBy A 31 ILE HD1% 1.0 1.8 5.0 696 528 A 31 ILE HD1% A 37 PRO HDy 1.0 1.8 5.0 697 528 A 31 ILE HD1% A 37 PRO HDx 1.0 1.8 5.0 698 529 A 31 ILE HD1% A 37 PRO HGx 1.0 1.8 5.0 699 529 A 31 ILE HD1% A 37 PRO HGy 1.0 1.8 5.0 700 530 A 49 LEU HD2% A 31 ILE HD1% 1.0 1.8 5.0 701 531 A 31 ILE HD1% A 53 PHE HBx 1.0 1.8 5.0 702 531 A 53 PHE HBy A 31 ILE HD1% 1.0 1.8 5.0 703 532 A 31 ILE HD1% A 53 PHE HD% 1.0 1.8 5.0 704 533 A 31 ILE HD1% A 53 PHE HE% 1.0 1.8 5.0 705 534 A 31 ILE HD1% A 53 PHE HZ 1.0 1.8 5.0 706 535 A 57 ILE HB A 31 ILE HD1% 1.0 1.8 5.0 707 536 A 57 ILE HD1% A 31 ILE HD1% 1.0 1.8 5.0 708 537 A 31 ILE HD1% A 57 ILE HG1x 1.0 1.8 5.0 709 537 A 57 ILE HG1y A 31 ILE HD1% 1.0 1.8 5.0 710 538 A 31 ILE HG1y A 37 PRO HGx 1.0 1.8 5.0 711 538 A 31 ILE HG1x A 37 PRO HGx 1.0 1.8 5.0 712 538 A 37 PRO HGy A 31 ILE HG1x 1.0 1.8 5.0 713 538 A 37 PRO HGy A 31 ILE HG1y 1.0 1.8 5.0 714 539 A 57 ILE HD1% A 31 ILE HG1x 1.0 1.8 5.0 715 539 A 57 ILE HD1% A 31 ILE HG1y 1.0 1.8 5.0 716 540 A 31 ILE HG2% A 33 ASP HBx 1.0 1.8 5.0 717 540 A 31 ILE HG2% A 33 ASP HBy 1.0 1.8 5.0 718 541 A 31 ILE HG2% A 34 THR HG2% 1.0 1.8 5.0 719 542 A 31 ILE HG2% A 37 PRO HDy 1.0 1.8 5.0 720 542 A 31 ILE HG2% A 37 PRO HDx 1.0 1.8 5.0 721 543 A 31 ILE HG2% A 37 PRO HGx 1.0 1.8 5.0 722 543 A 31 ILE HG2% A 37 PRO HGy 1.0 1.8 5.0 723 544 A 31 ILE HG2% A 53 PHE HBx 1.0 1.8 5.0 724 544 A 31 ILE HG2% A 53 PHE HBy 1.0 1.8 5.0 725 545 A 31 ILE HG2% A 53 PHE HD% 1.0 1.8 5.0 726 546 A 31 ILE HG2% A 56 ASN HBx 1.0 1.8 5.0 727 546 A 31 ILE HG2% A 56 ASN HBy 1.0 1.8 5.0 728 547 A 32 THR HG2% A 58 VAL HB 1.0 1.8 5.0 729 548 A 58 VAL HG1% A 32 THR HG2% 1.0 1.8 5.0 730 549 A 33 ASP HBy A 56 ASN HBx 1.0 1.8 5.0 731 549 A 33 ASP HBx A 56 ASN HBx 1.0 1.8 5.0 732 549 A 56 ASN HBy A 33 ASP HBx 1.0 1.8 5.0 733 549 A 33 ASP HBy A 56 ASN HBy 1.0 1.8 5.0 734 550 A 33 ASP HBy A 56 ASN HD2y 1.0 1.8 5.0 735 550 A 33 ASP HBx A 56 ASN HD2y 1.0 1.8 5.0 736 550 A 56 ASN HD2x A 33 ASP HBx 1.0 1.8 5.0 737 550 A 33 ASP HBy A 56 ASN HD2x 1.0 1.8 5.0 738 551 A 37 PRO HBx A 41 ASP HBx 1.0 1.8 5.0 739 551 A 37 PRO HBy A 41 ASP HBx 1.0 1.8 5.0 740 551 A 41 ASP HBy A 37 PRO HBx 1.0 1.8 5.0 741 551 A 37 PRO HBy A 41 ASP HBy 1.0 1.8 5.0 742 552 A 42 TYR HD% A 37 PRO HBx 1.0 1.8 5.0 743 552 A 42 TYR HD% A 37 PRO HBy 1.0 1.8 5.0 744 553 A 42 TYR HE% A 37 PRO HBx 1.0 1.8 5.0 745 553 A 42 TYR HE% A 37 PRO HBy 1.0 1.8 5.0 746 554 A 53 PHE HZ A 37 PRO HBx 1.0 1.8 5.0 747 554 A 37 PRO HBy A 53 PHE HZ 1.0 1.8 5.0 748 555 A 49 LEU HD2% A 41 ASP HBx 1.0 1.8 5.0 749 555 A 49 LEU HD2% A 41 ASP HBy 1.0 1.8 5.0 750 556 A 53 PHE HE% A 41 ASP HBx 1.0 1.8 5.0 751 556 A 41 ASP HBy A 53 PHE HE% 1.0 1.8 5.0 752 557 A 42 TYR HD% A 73 ARG HDx 1.0 1.8 5.0 753 557 A 42 TYR HD% A 73 ARG HDy 1.0 1.8 5.0 754 558 A 44 LEU HBy A 48 GLN HBx 1.0 1.8 5.0 755 558 A 44 LEU HBx A 48 GLN HBx 1.0 1.8 5.0 756 558 A 48 GLN HBy A 44 LEU HBx 1.0 1.8 5.0 757 558 A 44 LEU HBy A 48 GLN HBy 1.0 1.8 5.0 758 559 A 44 LEU HBx A 48 GLN HGx 1.0 1.8 5.0 759 559 A 44 LEU HBy A 48 GLN HGx 1.0 1.8 5.0 760 559 A 48 GLN HGy A 44 LEU HBx 1.0 1.8 5.0 761 559 A 44 LEU HBy A 48 GLN HGy 1.0 1.8 5.0 762 560 A 49 LEU HD2% A 44 LEU HBx 1.0 1.8 5.0 763 560 A 49 LEU HD2% A 44 LEU HBy 1.0 1.8 5.0 764 561 A 44 LEU HD1% A 48 GLN HBx 1.0 1.8 5.0 765 561 A 44 LEU HD1% A 48 GLN HBy 1.0 1.8 5.0 766 562 A 44 LEU HD1% A 48 GLN HGx 1.0 1.8 5.0 767 562 A 44 LEU HD1% A 48 GLN HGy 1.0 1.8 5.0 768 563 A 44 LEU HD1% A 52 LYS HBx 1.0 1.8 5.0 769 563 A 52 LYS HBy A 44 LEU HD1% 1.0 1.8 5.0 770 564 A 44 LEU HD1% A 52 LYS HDx 1.0 1.8 5.0 771 564 A 44 LEU HD1% A 52 LYS HDy 1.0 1.8 5.0 772 565 A 44 LEU HD2% A 48 GLN HBx 1.0 1.8 5.0 773 565 A 44 LEU HD2% A 48 GLN HBy 1.0 1.8 5.0 774 566 A 44 LEU HD2% A 48 GLN HGx 1.0 1.8 5.0 775 566 A 44 LEU HD2% A 48 GLN HGy 1.0 1.8 5.0 776 567 A 46 GLU HGx A 50 MET HGx 1.0 1.8 5.0 777 567 A 46 GLU HGy A 50 MET HGx 1.0 1.8 5.0 778 567 A 50 MET HGy A 46 GLU HGx 1.0 1.8 5.0 779 567 A 46 GLU HGy A 50 MET HGy 1.0 1.8 5.0 780 568 A 57 ILE HD1% A 49 LEU HBx 1.0 1.8 5.0 781 568 A 57 ILE HD1% A 49 LEU HBy 1.0 1.8 5.0 782 569 A 49 LEU HD2% A 53 PHE HD% 1.0 1.8 5.0 783 570 A 49 LEU HD2% A 53 PHE HE% 1.0 1.8 5.0 784 571 A 49 LEU HD2% A 57 ILE HD1% 1.0 1.8 5.0 785 572 A 57 ILE HD1% A 50 MET HBx 1.0 1.8 5.0 786 572 A 57 ILE HD1% A 50 MET HBy 1.0 1.8 5.0 787 573 A 50 MET HE% A 59 ILE HD1% 1.0 1.8 5.0 788 574 A 50 MET HE% A 89 PRO HDx 1.0 1.8 5.0 789 574 A 50 MET HE% A 89 PRO HDy 1.0 1.8 5.0 790 575 A 57 ILE HD1% A 50 MET HGx 1.0 1.8 5.0 791 575 A 50 MET HGy A 57 ILE HD1% 1.0 1.8 5.0 792 576 A 57 ILE HG2% A 50 MET HGx 1.0 1.8 5.0 793 576 A 50 MET HGy A 57 ILE HG2% 1.0 1.8 5.0 794 577 A 53 PHE HBx A 56 ASN HBx 1.0 1.8 5.0 795 577 A 53 PHE HBy A 56 ASN HBx 1.0 1.8 5.0 796 577 A 56 ASN HBy A 53 PHE HBx 1.0 1.8 5.0 797 577 A 53 PHE HBy A 56 ASN HBy 1.0 1.8 5.0 798 578 A 57 ILE HB A 53 PHE HBx 1.0 1.8 5.0 799 578 A 57 ILE HB A 53 PHE HBy 1.0 1.8 5.0 800 579 A 57 ILE HD1% A 53 PHE HBx 1.0 1.8 5.0 801 579 A 57 ILE HD1% A 53 PHE HBy 1.0 1.8 5.0 802 580 A 53 PHE HBx A 57 ILE HG1x 1.0 1.8 5.0 803 580 A 57 ILE HG1y A 53 PHE HBx 1.0 1.8 5.0 804 580 A 57 ILE HG1y A 53 PHE HBy 1.0 1.8 5.0 805 580 A 53 PHE HBy A 57 ILE HG1x 1.0 1.8 5.0 806 581 A 57 ILE HG2% A 53 PHE HBx 1.0 1.8 5.0 807 581 A 57 ILE HG2% A 53 PHE HBy 1.0 1.8 5.0 808 582 A 53 PHE HD% A 56 ASN HBx 1.0 1.8 5.0 809 582 A 56 ASN HBy A 53 PHE HD% 1.0 1.8 5.0 810 583 A 57 ILE HD1% A 53 PHE HD% 1.0 1.8 5.0 811 584 A 57 ILE HG2% A 89 PRO HBx 1.0 1.8 5.0 812 584 A 57 ILE HG2% A 89 PRO HBy 1.0 1.8 5.0 813 585 A 57 ILE HD1% A 89 PRO HBx 1.0 1.8 5.0 814 585 A 57 ILE HD1% A 89 PRO HBy 1.0 1.8 5.0 815 586 A 57 ILE HG2% A 90 PRO HDx 1.0 1.8 5.0 816 586 A 57 ILE HG2% A 90 PRO HDy 1.0 1.8 5.0 817 587 A 58 VAL HG1% A 60 VAL HG1% 1.0 1.8 5.0 818 588 A 58 VAL HG1% A 90 PRO HBx 1.0 1.8 5.0 819 588 A 58 VAL HG1% A 90 PRO HBy 1.0 1.8 5.0 820 589 A 58 VAL HG1% A 90 PRO HGx 1.0 1.8 5.0 821 589 A 58 VAL HG1% A 90 PRO HGy 1.0 1.8 5.0 822 590 A 58 VAL HG2% A 81 PHE HE% 1.0 1.8 5.0 823 591 A 58 VAL HG2% A 90 PRO HBx 1.0 1.8 5.0 824 591 A 58 VAL HG2% A 90 PRO HBy 1.0 1.8 5.0 825 592 A 58 VAL HG2% A 90 PRO HGx 1.0 1.8 5.0 826 592 A 58 VAL HG2% A 90 PRO HGy 1.0 1.8 5.0 827 593 A 59 ILE HB A 91 SER HBx 1.0 1.8 5.0 828 593 A 91 SER HBy A 59 ILE HB 1.0 1.8 5.0 829 594 A 59 ILE HD1% A 89 PRO HDx 1.0 1.8 5.0 830 594 A 59 ILE HD1% A 89 PRO HDy 1.0 1.8 5.0 831 595 A 59 ILE HD1% A 89 PRO HGx 1.0 1.8 5.0 832 595 A 59 ILE HD1% A 89 PRO HGy 1.0 1.8 5.0 833 596 A 59 ILE HD1% A 91 SER HBx 1.0 1.8 5.0 834 596 A 91 SER HBy A 59 ILE HD1% 1.0 1.8 5.0 835 597 A 59 ILE HG1x A 89 PRO HBx 1.0 1.8 5.0 836 597 A 59 ILE HG1y A 89 PRO HBx 1.0 1.8 5.0 837 597 A 89 PRO HBy A 59 ILE HG1x 1.0 1.8 5.0 838 597 A 89 PRO HBy A 59 ILE HG1y 1.0 1.8 5.0 839 598 A 59 ILE HG2% A 91 SER HBx 1.0 1.8 5.0 840 598 A 59 ILE HG2% A 91 SER HBy 1.0 1.8 5.0 841 599 A 60 VAL HB A 62 LEU HD2% 1.0 1.8 5.0 842 600 A 60 VAL HB A 94 ILE HD1% 1.0 1.8 5.0 843 601 A 60 VAL HB A 94 ILE HG2% 1.0 1.8 5.0 844 602 A 60 VAL HG1% A 92 ALA HB% 1.0 1.8 5.0 845 603 A 60 VAL HG1% A 94 ILE HG1x 1.0 1.8 5.0 846 603 A 60 VAL HG1% A 94 ILE HG1y 1.0 1.8 5.0 847 604 A 60 VAL HG1% A 94 ILE HG2% 1.0 1.8 5.0 848 605 A 60 VAL HG2% A 62 LEU HD2% 1.0 1.8 5.0 849 606 A 65 ILE HD1% A 62 LEU HBx 1.0 1.8 5.0 850 606 A 65 ILE HD1% A 62 LEU HBy 1.0 1.8 5.0 851 607 A 68 THR HG2% A 62 LEU HBx 1.0 1.8 5.0 852 607 A 68 THR HG2% A 62 LEU HBy 1.0 1.8 5.0 853 608 A 68 THR HB A 62 LEU HD1% 1.0 1.8 5.0 854 609 A 68 THR HG2% A 62 LEU HD1% 1.0 1.8 5.0 855 610 A 71 LEU HD1% A 62 LEU HD1% 1.0 1.8 5.0 856 611 A 71 LEU HD2% A 62 LEU HD1% 1.0 1.8 5.0 857 612 A 65 ILE HB A 62 LEU HD2% 1.0 1.8 5.0 858 613 A 62 LEU HD2% A 65 ILE HG1x 1.0 1.8 5.0 859 613 A 65 ILE HG1y A 62 LEU HD2% 1.0 1.8 5.0 860 614 A 65 ILE HG2% A 62 LEU HD2% 1.0 1.8 5.0 861 615 A 68 THR HG2% A 62 LEU HD2% 1.0 1.8 5.0 862 616 A 71 LEU HD1% A 62 LEU HD2% 1.0 1.8 5.0 863 617 A 71 LEU HD2% A 62 LEU HD2% 1.0 1.8 5.0 864 618 A 94 ILE HD1% A 62 LEU HD2% 1.0 1.8 5.0 865 619 A 62 LEU HD2% A 94 ILE HG1x 1.0 1.8 5.0 866 619 A 94 ILE HG1y A 62 LEU HD2% 1.0 1.8 5.0 867 620 A 93 THR HG2% A 64 GLU HBx 1.0 1.8 5.0 868 620 A 93 THR HG2% A 64 GLU HBy 1.0 1.8 5.0 869 621 A 93 THR HG2% A 64 GLU HGx 1.0 1.8 5.0 870 621 A 93 THR HG2% A 64 GLU HGy 1.0 1.8 5.0 871 622 A 65 ILE HB A 68 THR HG2% 1.0 1.8 5.0 872 623 A 94 ILE HD1% A 65 ILE HD1% 1.0 1.8 5.0 873 624 A 68 THR HG2% A 65 ILE HD1% 1.0 1.8 5.0 874 625 A 97 TYR HD% A 65 ILE HD1% 1.0 1.8 5.0 875 626 A 65 ILE HD1% A 97 TYR HE% 1.0 1.8 5.0 876 627 A 97 TYR HD% A 65 ILE HG1x 1.0 1.8 5.0 877 627 A 65 ILE HG1y A 97 TYR HD% 1.0 1.8 5.0 878 628 A 97 TYR HE% A 65 ILE HG1x 1.0 1.8 5.0 879 628 A 65 ILE HG1y A 97 TYR HE% 1.0 1.8 5.0 880 629 A 68 THR HB A 65 ILE HG2% 1.0 1.8 5.0 881 630 A 65 ILE HG2% A 68 THR HG2% 1.0 1.8 5.0 882 631 A 65 ILE HG2% A 97 TYR HD% 1.0 1.8 5.0 883 632 A 65 ILE HG2% A 97 TYR HE% 1.0 1.8 5.0 884 633 A 68 THR HB A 71 LEU HBx 1.0 1.8 5.0 885 633 A 68 THR HB A 71 LEU HBy 1.0 1.8 5.0 886 634 A 68 THR HB A 71 LEU HD1% 1.0 1.8 5.0 887 635 A 68 THR HB A 71 LEU HD2% 1.0 1.8 5.0 888 636 A 68 THR HG2% A 71 LEU HD1% 1.0 1.8 5.0 889 637 A 68 THR HG2% A 97 TYR HE% 1.0 1.8 5.0 890 638 A 99 LEU HD1% A 70 ASP HBx 1.0 1.8 5.0 891 638 A 99 LEU HD1% A 70 ASP HBy 1.0 1.8 5.0 892 639 A 97 TYR HE% A 71 LEU HBx 1.0 1.8 5.0 893 639 A 71 LEU HBy A 97 TYR HE% 1.0 1.8 5.0 894 640 A 71 LEU HD1% A 77 ILE HD1% 1.0 1.8 5.0 895 641 A 71 LEU HD1% A 77 ILE HG2% 1.0 1.8 5.0 896 642 A 71 LEU HD1% A 97 TYR HD% 1.0 1.8 5.0 897 643 A 71 LEU HD1% A 97 TYR HE% 1.0 1.8 5.0 898 644 A 71 LEU HD2% A 77 ILE HD1% 1.0 1.8 5.0 899 645 A 71 LEU HD2% A 97 TYR HD% 1.0 1.8 5.0 900 646 A 71 LEU HD2% A 97 TYR HE% 1.0 1.8 5.0 901 647 A 71 LEU HG A 97 TYR HE% 1.0 1.8 5.0 902 648 A 72 LYS HBx A 75 GLU HGx 1.0 1.8 5.0 903 648 A 72 LYS HBy A 75 GLU HGx 1.0 1.8 5.0 904 648 A 75 GLU HGy A 72 LYS HBx 1.0 1.8 5.0 905 648 A 75 GLU HGy A 72 LYS HBy 1.0 1.8 5.0 906 649 A 77 ILE HG2% A 75 GLU HBx 1.0 1.8 5.0 907 649 A 77 ILE HG2% A 75 GLU HBy 1.0 1.8 5.0 908 650 A 99 LEU HD1% A 75 GLU HBx 1.0 1.8 5.0 909 650 A 99 LEU HD1% A 75 GLU HBy 1.0 1.8 5.0 910 651 A 99 LEU HD2% A 75 GLU HBx 1.0 1.8 5.0 911 651 A 99 LEU HD2% A 75 GLU HBy 1.0 1.8 5.0 912 652 A 99 LEU HD1% A 75 GLU HGx 1.0 1.8 5.0 913 652 A 75 GLU HGy A 99 LEU HD1% 1.0 1.8 5.0 914 653 A 99 LEU HD2% A 75 GLU HGx 1.0 1.8 5.0 915 653 A 75 GLU HGy A 99 LEU HD2% 1.0 1.8 5.0 916 654 A 100 LEU HD1% A 76 LYS HDx 1.0 1.8 5.0 917 654 A 100 LEU HD1% A 76 LYS HDy 1.0 1.8 5.0 918 655 A 100 LEU HD1% A 76 LYS HEx 1.0 1.8 5.0 919 655 A 100 LEU HD1% A 76 LYS HEy 1.0 1.8 5.0 920 656 A 100 LEU HD1% A 76 LYS HGx 1.0 1.8 5.0 921 656 A 76 LYS HGy A 100 LEU HD1% 1.0 1.8 5.0 922 657 A 77 ILE HB A 79 VAL HG1% 1.0 1.8 5.0 923 658 A 77 ILE HB A 97 TYR HBx 1.0 1.8 5.0 924 658 A 77 ILE HB A 97 TYR HBy 1.0 1.8 5.0 925 659 A 77 ILE HB A 97 TYR HD% 1.0 1.8 5.0 926 660 A 79 VAL HG1% A 77 ILE HD1% 1.0 1.8 5.0 927 661 A 77 ILE HD1% A 97 TYR HBx 1.0 1.8 5.0 928 661 A 77 ILE HD1% A 97 TYR HBy 1.0 1.8 5.0 929 662 A 77 ILE HG2% A 97 TYR HD% 1.0 1.8 5.0 930 663 A 77 ILE HG2% A 99 LEU HD1% 1.0 1.8 5.0 931 664 A 77 ILE HG2% A 99 LEU HD2% 1.0 1.8 5.0 932 665 A 77 ILE HG2% A 99 LEU HG 1.0 1.8 5.0 933 666 A 100 LEU HD1% A 78 LYS HBx 1.0 1.8 5.0 934 666 A 100 LEU HD1% A 78 LYS HBy 1.0 1.8 5.0 935 667 A 78 LYS HBx A 98 GLU HBx 1.0 1.8 5.0 936 667 A 98 GLU HBy A 78 LYS HBx 1.0 1.8 5.0 937 667 A 98 GLU HBy A 78 LYS HBy 1.0 1.8 5.0 938 667 A 78 LYS HBy A 98 GLU HBx 1.0 1.8 5.0 939 668 A 80 TRP HE1 A 78 LYS HDx 1.0 1.8 5.0 940 668 A 78 LYS HDy A 80 TRP HE1 1.0 1.8 5.0 941 669 A 80 TRP HH2 A 78 LYS HDx 1.0 1.8 5.0 942 669 A 78 LYS HDy A 80 TRP HH2 1.0 1.8 5.0 943 670 A 80 TRP HZ2 A 78 LYS HDx 1.0 1.8 5.0 944 670 A 78 LYS HDy A 80 TRP HZ2 1.0 1.8 5.0 945 671 A 80 TRP HE1 A 78 LYS HEx 1.0 1.8 5.0 946 671 A 78 LYS HEy A 80 TRP HE1 1.0 1.8 5.0 947 672 A 80 TRP HZ2 A 78 LYS HEx 1.0 1.8 5.0 948 672 A 78 LYS HEy A 80 TRP HZ2 1.0 1.8 5.0 949 673 A 100 LEU HD1% A 78 LYS HGx 1.0 1.8 5.0 950 673 A 78 LYS HGy A 100 LEU HD1% 1.0 1.8 5.0 951 674 A 79 VAL HB A 94 ILE HD1% 1.0 1.8 5.0 952 675 A 79 VAL HB A 94 ILE HG2% 1.0 1.8 5.0 953 676 A 79 VAL HG1% A 97 TYR HBx 1.0 1.8 5.0 954 676 A 79 VAL HG1% A 97 TYR HBy 1.0 1.8 5.0 955 677 A 79 VAL HG1% A 97 TYR HD% 1.0 1.8 5.0 956 678 A 79 VAL HG2% A 81 PHE HBx 1.0 1.8 5.0 957 678 A 79 VAL HG2% A 81 PHE HBy 1.0 1.8 5.0 958 679 A 79 VAL HG2% A 81 PHE HD% 1.0 1.8 5.0 959 680 A 79 VAL HG2% A 81 PHE HE% 1.0 1.8 5.0 960 681 A 80 TRP HBy A 96 LYS HBx 1.0 1.8 5.0 961 681 A 80 TRP HBx A 96 LYS HBx 1.0 1.8 5.0 962 681 A 96 LYS HBy A 80 TRP HBx 1.0 1.8 5.0 963 681 A 80 TRP HBy A 96 LYS HBy 1.0 1.8 5.0 964 682 A 80 TRP HBx A 96 LYS HGy 1.0 1.8 5.0 965 682 A 80 TRP HBy A 96 LYS HGy 1.0 1.8 5.0 966 682 A 96 LYS HGx A 80 TRP HBx 1.0 1.8 5.0 967 682 A 80 TRP HBy A 96 LYS HGx 1.0 1.8 5.0 968 683 A 80 TRP HE3 A 96 LYS HBx 1.0 1.8 5.0 969 683 A 80 TRP HE3 A 96 LYS HBy 1.0 1.8 5.0 970 684 A 80 TRP HE3 A 96 LYS HGy 1.0 1.8 5.0 971 684 A 80 TRP HE3 A 96 LYS HGx 1.0 1.8 5.0 972 685 A 80 TRP HH2 A 98 GLU HBx 1.0 1.8 5.0 973 685 A 98 GLU HBy A 80 TRP HH2 1.0 1.8 5.0 974 686 A 80 TRP HH2 A 98 GLU HGx 1.0 1.8 5.0 975 686 A 98 GLU HGy A 80 TRP HH2 1.0 1.8 5.0 976 687 A 80 TRP HZ3 A 96 LYS HBx 1.0 1.8 5.0 977 687 A 80 TRP HZ3 A 96 LYS HBy 1.0 1.8 5.0 978 688 A 80 TRP HZ3 A 98 GLU HBx 1.0 1.8 5.0 979 688 A 80 TRP HZ3 A 98 GLU HBy 1.0 1.8 5.0 980 689 A 80 TRP HZ3 A 98 GLU HGx 1.0 1.8 5.0 981 689 A 98 GLU HGy A 80 TRP HZ3 1.0 1.8 5.0 982 690 A 92 ALA HB% A 81 PHE HBx 1.0 1.8 5.0 983 690 A 81 PHE HBy A 92 ALA HB% 1.0 1.8 5.0 984 691 A 94 ILE HG2% A 81 PHE HBx 1.0 1.8 5.0 985 691 A 94 ILE HG2% A 81 PHE HBy 1.0 1.8 5.0 986 692 A 81 PHE HD% A 92 ALA HB% 1.0 1.8 5.0 987 693 A 81 PHE HD% A 94 ILE HG2% 1.0 1.8 5.0 988 694 A 81 PHE HE% A 84 ARG HBx 1.0 1.8 5.0 989 694 A 81 PHE HE% A 84 ARG HBy 1.0 1.8 5.0 990 695 A 81 PHE HE% A 84 ARG HDx 1.0 1.8 5.0 991 695 A 84 ARG HDy A 81 PHE HE% 1.0 1.8 5.0 992 696 A 81 PHE HE% A 84 ARG HGx 1.0 1.8 5.0 993 696 A 84 ARG HGy A 81 PHE HE% 1.0 1.8 5.0 994 697 A 92 ALA HB% A 84 ARG HBx 1.0 1.8 5.0 995 697 A 92 ALA HB% A 84 ARG HBy 1.0 1.8 5.0 996 698 A 92 ALA HB% A 84 ARG HDx 1.0 1.8 5.0 997 698 A 84 ARG HDy A 92 ALA HB% 1.0 1.8 5.0 998 699 A 84 ARG HGy A 90 PRO HBx 1.0 1.8 5.0 999 699 A 84 ARG HGx A 90 PRO HBx 1.0 1.8 5.0 1000 699 A 90 PRO HBy A 84 ARG HGx 1.0 1.8 5.0 1001 699 A 84 ARG HGy A 90 PRO HBy 1.0 1.8 5.0 1002 700 A 92 ALA HB% A 84 ARG HGx 1.0 1.8 5.0 1003 700 A 84 ARG HGy A 92 ALA HB% 1.0 1.8 5.0 1004 701 A 85 LYS HBx A 87 SER HBx 1.0 1.8 5.0 1005 701 A 85 LYS HBy A 87 SER HBx 1.0 1.8 5.0 1006 701 A 87 SER HBy A 85 LYS HBx 1.0 1.8 5.0 1007 701 A 85 LYS HBy A 87 SER HBy 1.0 1.8 5.0 1008 702 A 85 LYS HGx A 87 SER HBx 1.0 1.8 5.0 1009 702 A 85 LYS HGy A 87 SER HBx 1.0 1.8 5.0 1010 702 A 87 SER HBy A 85 LYS HGx 1.0 1.8 5.0 1011 702 A 85 LYS HGy A 87 SER HBy 1.0 1.8 5.0 1012 703 A 94 ILE HG2% A 92 ALA HB% 1.0 1.8 5.0 1013 704 A 93 THR HG2% A 95 GLN HE2y 1.0 1.8 5.0 1014 704 A 93 THR HG2% A 95 GLN HE2x 1.0 1.8 5.0 1015 705 A 94 ILE HD1% A 97 TYR HBx 1.0 1.8 5.0 1016 705 A 94 ILE HD1% A 97 TYR HBy 1.0 1.8 5.0 1017 706 A 94 ILE HD1% A 97 TYR HD% 1.0 1.8 5.0 1018 707 A 97 TYR HD% A 99 LEU HBx 1.0 1.8 5.0 1019 707 A 97 TYR HD% A 99 LEU HBy 1.0 1.8 5.0 1020 708 A 97 TYR HD% A 99 LEU HD1% 1.0 1.8 5.0 1021 709 A 99 LEU HD1% A 97 TYR HE% 1.0 1.8 5.0 1022 710 A 100 LEU HD2% A 98 GLU HBx 1.0 1.8 5.0 1023 710 A 100 LEU HD2% A 98 GLU HBy 1.0 1.8 5.0 1024 711 A 100 LEU HD2% A 98 GLU HGx 1.0 1.8 5.0 1025 711 A 98 GLU HGy A 100 LEU HD2% 1.0 1.8 5.0 1026 712 A 12 LYS HA A 12 LYS HDx 1.0 1.8 5.0 1027 712 A 12 LYS HA A 12 LYS HDy 1.0 1.8 5.0 1028 713 A 12 LYS HBy A 12 LYS HDx 1.0 1.8 5.0 1029 713 A 12 LYS HBx A 12 LYS HDx 1.0 1.8 5.0 1030 713 A 12 LYS HDy A 12 LYS HBx 1.0 1.8 5.0 1031 713 A 12 LYS HDy A 12 LYS HBy 1.0 1.8 5.0 1032 714 A 12 LYS H A 12 LYS HDx 1.0 1.8 5.0 1033 714 A 12 LYS H A 12 LYS HDy 1.0 1.8 5.0 1034 715 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.0 1035 716 A 12 LYS H A 12 LYS HGx 1.0 1.8 5.0 1036 717 A 13 MET H A 13 MET HGx 1.0 1.8 5.0 1037 717 A 13 MET H A 13 MET HGy 1.0 1.8 5.0 1038 718 A 14 GLN HBx A 14 GLN HE2y 1.0 1.8 5.0 1039 718 A 14 GLN HBy A 14 GLN HE2y 1.0 1.8 5.0 1040 718 A 14 GLN HE2x A 14 GLN HBx 1.0 1.8 5.0 1041 718 A 14 GLN HBy A 14 GLN HE2x 1.0 1.8 5.0 1042 719 A 14 GLN HE2y A 14 GLN HGx 1.0 1.8 5.0 1043 719 A 14 GLN HE2x A 14 GLN HGx 1.0 1.8 5.0 1044 719 A 14 GLN HGy A 14 GLN HE2y 1.0 1.8 5.0 1045 719 A 14 GLN HGy A 14 GLN HE2x 1.0 1.8 5.0 1046 720 A 14 GLN H A 14 GLN HGx 1.0 1.8 5.0 1047 720 A 14 GLN H A 14 GLN HGy 1.0 1.8 5.0 1048 721 A 16 LEU HA A 16 LEU HD1% 1.0 1.8 5.0 1049 722 A 16 LEU HD1% A 16 LEU HBx 1.0 1.8 5.0 1050 722 A 16 LEU HD1% A 16 LEU HBy 1.0 1.8 5.0 1051 723 A 16 LEU HD2% A 16 LEU HBx 1.0 1.8 5.0 1052 723 A 16 LEU HBy A 16 LEU HD2% 1.0 1.8 5.0 1053 724 A 16 LEU HD1% A 16 LEU H 1.0 1.8 5.0 1054 725 A 16 LEU HD2% A 16 LEU H 1.0 1.8 5.0 1055 726 A 16 LEU HG A 16 LEU H 1.0 1.8 5.0 1056 727 A 17 VAL H A 17 VAL HB 1.0 1.8 4.0 1057 728 A 17 VAL H A 17 VAL HG1% 1.0 1.8 5.0 1058 729 A 17 VAL H A 17 VAL HG2% 1.0 1.8 4.0 1059 730 A 19 TYR HA A 19 TYR HD% 1.0 1.8 5.0 1060 731 A 19 TYR HD% A 19 TYR HBx 1.0 1.8 5.0 1061 731 A 19 TYR HBy A 19 TYR HD% 1.0 1.8 5.0 1062 732 A 19 TYR HE% A 19 TYR HBx 1.0 1.8 5.0 1063 732 A 19 TYR HE% A 19 TYR HBy 1.0 1.8 5.0 1064 733 A 19 TYR H A 19 TYR HD% 1.0 1.8 5.0 1065 734 A 20 VAL HG1% A 20 VAL H 1.0 1.8 5.0 1066 735 A 20 VAL HG2% A 20 VAL H 1.0 1.8 5.0 1067 736 A 22 LEU HA A 22 LEU HD2% 1.0 1.8 5.0 1068 737 A 22 LEU HD1% A 22 LEU HB2 1.0 1.8 5.0 1069 737 A 22 LEU HD1% A 22 LEU HB3 1.0 1.8 5.0 1070 738 A 22 LEU HD2% A 22 LEU HB2 1.0 1.8 5.0 1071 738 A 22 LEU HD2% A 22 LEU HB3 1.0 1.8 5.0 1072 739 A 22 LEU HA A 22 LEU HD2% 1.0 1.8 4.0 1073 740 A 22 LEU HD2% A 22 LEU H 1.0 1.8 5.0 1074 741 A 23 LYS HBx A 23 LYS HDx 1.0 1.8 5.0 1075 741 A 23 LYS HBy A 23 LYS HDx 1.0 1.8 5.0 1076 741 A 23 LYS HDy A 23 LYS HBx 1.0 1.8 5.0 1077 741 A 23 LYS HDy A 23 LYS HBy 1.0 1.8 5.0 1078 742 A 23 LYS HBx A 23 LYS HEx 1.0 1.8 5.0 1079 742 A 23 LYS HBy A 23 LYS HEx 1.0 1.8 5.0 1080 742 A 23 LYS HEy A 23 LYS HBx 1.0 1.8 5.0 1081 742 A 23 LYS HBy A 23 LYS HEy 1.0 1.8 5.0 1082 743 A 23 LYS H A 23 LYS HGx 1.0 1.8 5.0 1083 743 A 23 LYS H A 23 LYS HGy 1.0 1.8 5.0 1084 744 A 25 ASN HBy A 25 ASN HD2y 1.0 1.8 5.0 1085 744 A 25 ASN HBx A 25 ASN HD2y 1.0 1.8 5.0 1086 744 A 25 ASN HD2x A 25 ASN HBx 1.0 1.8 5.0 1087 744 A 25 ASN HBy A 25 ASN HD2x 1.0 1.8 5.0 1088 745 A 26 GLU H A 26 GLU HGx 1.0 1.8 5.0 1089 745 A 26 GLU H A 26 GLU HGy 1.0 1.8 5.0 1090 746 A 27 ARG HE A 27 ARG HGx 1.0 1.8 5.0 1091 746 A 27 ARG HGy A 27 ARG HE 1.0 1.8 5.0 1092 747 A 27 ARG H A 27 ARG HDx 1.0 1.8 5.0 1093 747 A 27 ARG H A 27 ARG HDy 1.0 1.8 5.0 1094 748 A 27 ARG H A 27 ARG HGx 1.0 1.8 5.0 1095 748 A 27 ARG H A 27 ARG HGy 1.0 1.8 5.0 1096 749 A 29 ILE HG2% A 29 ILE HG1y 1.0 1.8 5.0 1097 749 A 29 ILE HG1x A 29 ILE HG2% 1.0 1.8 5.0 1098 750 A 29 ILE HG2% A 29 ILE HD1% 1.0 1.8 5.0 1099 751 A 29 ILE HD1% A 29 ILE H 1.0 1.8 5.0 1100 752 A 29 ILE H A 29 ILE HG1y 1.0 1.8 5.0 1101 753 A 29 ILE HG1x A 29 ILE H 1.0 1.8 5.0 1102 754 A 30 LEU HA A 30 LEU HD1% 1.0 1.8 5.0 1103 755 A 30 LEU HA A 30 LEU HD2% 1.0 1.8 5.0 1104 756 A 30 LEU HD1% A 30 LEU H 1.0 1.8 5.0 1105 757 A 30 LEU HD2% A 30 LEU H 1.0 1.8 5.0 1106 758 A 30 LEU HG A 30 LEU H 1.0 1.8 5.0 1107 759 A 31 ILE HA A 31 ILE HD1% 1.0 1.8 5.0 1108 760 A 31 ILE HG2% A 31 ILE HG1x 1.0 1.8 5.0 1109 760 A 31 ILE HG2% A 31 ILE HG1y 1.0 1.8 5.0 1110 761 A 31 ILE H A 31 ILE HD1% 1.0 1.8 5.0 1111 762 A 31 ILE H A 31 ILE HG1x 1.0 1.8 5.0 1112 762 A 31 ILE H A 31 ILE HG1y 1.0 1.8 5.0 1113 763 A 32 THR H A 32 THR HG2% 1.0 1.8 5.0 1114 764 A 34 THR H A 34 THR HG2% 1.0 1.8 5.0 1115 765 A 35 LYS HA A 35 LYS HDx 1.0 1.8 5.0 1116 765 A 35 LYS HA A 35 LYS HDy 1.0 1.8 5.0 1117 766 A 35 LYS HA A 35 LYS HEx 1.0 1.8 5.0 1118 766 A 35 LYS HA A 35 LYS HEy 1.0 1.8 5.0 1119 767 A 35 LYS HBx A 35 LYS HDx 1.0 1.8 5.0 1120 767 A 35 LYS HBy A 35 LYS HDx 1.0 1.8 5.0 1121 767 A 35 LYS HDy A 35 LYS HBx 1.0 1.8 5.0 1122 767 A 35 LYS HDy A 35 LYS HBy 1.0 1.8 5.0 1123 768 A 35 LYS H A 35 LYS HDx 1.0 1.8 5.0 1124 768 A 35 LYS H A 35 LYS HDy 1.0 1.8 5.0 1125 769 A 35 LYS H A 35 LYS HGx 1.0 1.8 5.0 1126 769 A 35 LYS H A 35 LYS HGy 1.0 1.8 5.0 1127 770 A 39 LYS HA A 39 LYS HDx 1.0 1.8 5.0 1128 770 A 39 LYS HA A 39 LYS HDy 1.0 1.8 5.0 1129 771 A 39 LYS HBy A 39 LYS HEx 1.0 1.8 5.0 1130 771 A 39 LYS HEy A 39 LYS HBx 1.0 1.8 5.0 1131 771 A 39 LYS HBy A 39 LYS HEy 1.0 1.8 5.0 1132 771 A 39 LYS HBx A 39 LYS HEx 1.0 1.8 5.0 1133 772 A 39 LYS H A 39 LYS HDx 1.0 1.8 5.0 1134 772 A 39 LYS H A 39 LYS HDy 1.0 1.8 5.0 1135 773 A 39 LYS H A 39 LYS HGx 1.0 1.8 5.0 1136 773 A 39 LYS H A 39 LYS HGy 1.0 1.8 5.0 1137 774 A 40 GLU H A 40 GLU HGx 1.0 1.8 5.0 1138 774 A 40 GLU H A 40 GLU HGy 1.0 1.8 5.0 1139 775 A 42 TYR HA A 42 TYR HD% 1.0 1.8 5.0 1140 776 A 42 TYR HD% A 42 TYR HBx 1.0 1.8 5.0 1141 776 A 42 TYR HBy A 42 TYR HD% 1.0 1.8 5.0 1142 777 A 42 TYR HD% A 42 TYR H 1.0 1.8 5.0 1143 778 A 42 TYR HE% A 42 TYR H 1.0 1.8 5.0 1144 779 A 43 ASN HBx A 43 ASN HD2y 1.0 1.8 5.0 1145 779 A 43 ASN HBy A 43 ASN HD2y 1.0 1.8 5.0 1146 779 A 43 ASN HD2x A 43 ASN HBx 1.0 1.8 5.0 1147 779 A 43 ASN HBy A 43 ASN HD2x 1.0 1.8 5.0 1148 780 A 44 LEU HD1% A 44 LEU HA 1.0 1.8 5.0 1149 781 A 44 LEU HD2% A 44 LEU HA 1.0 1.8 4.0 1150 782 A 44 LEU HD1% A 44 LEU HBx 1.0 1.8 5.0 1151 782 A 44 LEU HBy A 44 LEU HD1% 1.0 1.8 5.0 1152 783 A 44 LEU HD2% A 44 LEU HBx 1.0 1.8 5.0 1153 783 A 44 LEU HD2% A 44 LEU HBy 1.0 1.8 5.0 1154 784 A 44 LEU HD1% A 44 LEU H 1.0 1.8 5.0 1155 785 A 44 LEU HD2% A 44 LEU H 1.0 1.8 5.0 1156 786 A 44 LEU HG A 44 LEU H 1.0 1.8 5.0 1157 787 A 46 GLU H A 46 GLU HGx 1.0 1.8 5.0 1158 787 A 46 GLU H A 46 GLU HGy 1.0 1.8 5.0 1159 788 A 48 GLN HA A 48 GLN HE2y 1.0 1.8 5.0 1160 788 A 48 GLN HA A 48 GLN HE2x 1.0 1.8 5.0 1161 789 A 48 GLN HBx A 48 GLN HE2y 1.0 1.8 5.0 1162 789 A 48 GLN HE2x A 48 GLN HBx 1.0 1.8 5.0 1163 789 A 48 GLN HBy A 48 GLN HE2x 1.0 1.8 5.0 1164 789 A 48 GLN HBy A 48 GLN HE2y 1.0 1.8 5.0 1165 790 A 48 GLN HE2y A 48 GLN HGx 1.0 1.8 5.0 1166 790 A 48 GLN HE2x A 48 GLN HGx 1.0 1.8 5.0 1167 790 A 48 GLN HGy A 48 GLN HE2y 1.0 1.8 5.0 1168 790 A 48 GLN HGy A 48 GLN HE2x 1.0 1.8 5.0 1169 791 A 48 GLN H A 48 GLN HGx 1.0 1.8 5.0 1170 791 A 48 GLN H A 48 GLN HGy 1.0 1.8 5.0 1171 792 A 49 LEU HA A 49 LEU HD1% 1.0 1.8 5.0 1172 793 A 49 LEU HA A 49 LEU HD2% 1.0 1.8 4.0 1173 794 A 49 LEU HD1% A 49 LEU HBx 1.0 1.8 5.0 1174 794 A 49 LEU HD1% A 49 LEU HBy 1.0 1.8 5.0 1175 795 A 49 LEU HD2% A 49 LEU HBx 1.0 1.8 5.0 1176 795 A 49 LEU HD2% A 49 LEU HBy 1.0 1.8 5.0 1177 796 A 49 LEU HA A 49 LEU HD2% 1.0 1.8 4.0 1178 797 A 49 LEU HD1% A 49 LEU H 1.0 1.8 5.0 1179 798 A 49 LEU HD2% A 49 LEU H 1.0 1.8 5.0 1180 799 A 49 LEU HG A 49 LEU H 1.0 1.8 5.0 1181 800 A 50 MET HA A 50 MET HE% 1.0 1.8 5.0 1182 801 A 50 MET HE% A 50 MET H 1.0 1.8 5.0 1183 802 A 50 MET HGy A 50 MET H 1.0 1.8 5.0 1184 802 A 50 MET H A 50 MET HGx 1.0 1.8 5.0 1185 803 A 51 ASN HBy A 51 ASN HD2y 1.0 1.8 5.0 1186 803 A 51 ASN HBx A 51 ASN HD2y 1.0 1.8 5.0 1187 803 A 51 ASN HD2x A 51 ASN HBx 1.0 1.8 5.0 1188 803 A 51 ASN HBy A 51 ASN HD2x 1.0 1.8 5.0 1189 804 A 52 LYS HA A 52 LYS HEx 1.0 1.8 5.0 1190 804 A 52 LYS HA A 52 LYS HEy 1.0 1.8 5.0 1191 805 A 52 LYS HBx A 52 LYS HEx 1.0 1.8 5.0 1192 805 A 52 LYS HBy A 52 LYS HEx 1.0 1.8 5.0 1193 805 A 52 LYS HEy A 52 LYS HBx 1.0 1.8 5.0 1194 805 A 52 LYS HBy A 52 LYS HEy 1.0 1.8 5.0 1195 806 A 52 LYS H A 52 LYS HGx 1.0 1.8 5.0 1196 806 A 52 LYS H A 52 LYS HGy 1.0 1.8 5.0 1197 807 A 53 PHE HD% A 53 PHE H 1.0 1.8 5.0 1198 808 A 54 LYS HA A 54 LYS HDx 1.0 1.8 5.0 1199 808 A 54 LYS HA A 54 LYS HDy 1.0 1.8 5.0 1200 809 A 54 LYS HA A 54 LYS HEx 1.0 1.8 5.0 1201 809 A 54 LYS HA A 54 LYS HEy 1.0 1.8 5.0 1202 810 A 54 LYS HBx A 54 LYS HEx 1.0 1.8 5.0 1203 810 A 54 LYS HBy A 54 LYS HEx 1.0 1.8 5.0 1204 810 A 54 LYS HEy A 54 LYS HBx 1.0 1.8 5.0 1205 810 A 54 LYS HEy A 54 LYS HBy 1.0 1.8 5.0 1206 811 A 54 LYS H A 54 LYS HDx 1.0 1.8 5.0 1207 811 A 54 LYS H A 54 LYS HDy 1.0 1.8 5.0 1208 812 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.0 1209 812 A 54 LYS H A 54 LYS HGy 1.0 1.8 5.0 1210 813 A 55 ASN HBx A 55 ASN HD2y 1.0 1.8 5.0 1211 813 A 55 ASN HBy A 55 ASN HD2y 1.0 1.8 5.0 1212 813 A 55 ASN HD2x A 55 ASN HBx 1.0 1.8 5.0 1213 813 A 55 ASN HBy A 55 ASN HD2x 1.0 1.8 5.0 1214 814 A 56 ASN HBx A 56 ASN HD2y 1.0 1.8 5.0 1215 814 A 56 ASN HBy A 56 ASN HD2y 1.0 1.8 5.0 1216 814 A 56 ASN HD2x A 56 ASN HBx 1.0 1.8 5.0 1217 814 A 56 ASN HBy A 56 ASN HD2x 1.0 1.8 5.0 1218 815 A 57 ILE HA A 57 ILE HB 1.0 1.8 2.8 1219 816 A 57 ILE HA A 57 ILE HD1% 1.0 1.8 5.0 1220 817 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 5.0 1221 817 A 57 ILE HG1y A 57 ILE HG2% 1.0 1.8 5.0 1222 818 A 57 ILE HD1% A 57 ILE HG2% 1.0 1.8 5.0 1223 819 A 57 ILE H A 57 ILE HD1% 1.0 1.8 5.0 1224 820 A 57 ILE H A 57 ILE HG1x 1.0 1.8 5.0 1225 820 A 57 ILE H A 57 ILE HG1y 1.0 1.8 5.0 1226 821 A 58 VAL HA A 58 VAL HG1% 1.0 1.8 3.0 1227 822 A 58 VAL HG1% A 58 VAL H 1.0 1.8 5.0 1228 823 A 58 VAL HG2% A 58 VAL H 1.0 1.8 5.0 1229 824 A 59 ILE HA A 59 ILE HD1% 1.0 1.8 5.0 1230 825 A 59 ILE HD1% A 59 ILE H 1.0 1.8 5.0 1231 826 A 59 ILE HG1y A 59 ILE H 1.0 1.8 5.0 1232 826 A 59 ILE H A 59 ILE HG1x 1.0 1.8 5.0 1233 827 A 60 VAL HA A 60 VAL HG1% 1.0 1.8 3.0 1234 828 A 60 VAL HG1% A 60 VAL H 1.0 1.8 5.0 1235 829 A 60 VAL HG2% A 60 VAL H 1.0 1.8 5.0 1236 830 A 62 LEU HD2% A 62 LEU HA 1.0 1.8 5.0 1237 831 A 62 LEU HD1% A 62 LEU HBx 1.0 1.8 5.0 1238 831 A 62 LEU HD1% A 62 LEU HBy 1.0 1.8 5.0 1239 832 A 62 LEU HD2% A 62 LEU HA 1.0 1.8 4.0 1240 833 A 62 LEU HD1% A 62 LEU H 1.0 1.8 5.0 1241 834 A 62 LEU HD2% A 62 LEU H 1.0 1.8 5.0 1242 835 A 62 LEU HG A 62 LEU H 1.0 1.8 5.0 1243 836 A 64 GLU H A 64 GLU HGx 1.0 1.8 5.0 1244 836 A 64 GLU H A 64 GLU HGy 1.0 1.8 5.0 1245 837 A 65 ILE HA A 65 ILE HD1% 1.0 1.8 5.0 1246 838 A 65 ILE HG2% A 65 ILE HG1x 1.0 1.8 5.0 1247 838 A 65 ILE HG1y A 65 ILE HG2% 1.0 1.8 5.0 1248 839 A 65 ILE H A 65 ILE HD1% 1.0 1.8 5.0 1249 840 A 65 ILE H A 65 ILE HG1x 1.0 1.8 5.0 1250 840 A 65 ILE H A 65 ILE HG1y 1.0 1.8 5.0 1251 841 A 67 ASN HBy A 67 ASN HD2y 1.0 1.8 5.0 1252 841 A 67 ASN HBx A 67 ASN HD2y 1.0 1.8 5.0 1253 841 A 67 ASN HD2x A 67 ASN HBx 1.0 1.8 5.0 1254 841 A 67 ASN HBy A 67 ASN HD2x 1.0 1.8 5.0 1255 842 A 68 THR H A 68 THR HG2% 1.0 1.8 5.0 1256 843 A 71 LEU HA A 71 LEU HD1% 1.0 1.8 5.0 1257 844 A 71 LEU HA A 71 LEU HD2% 1.0 1.8 5.0 1258 845 A 71 LEU HD1% A 71 LEU HBx 1.0 1.8 5.0 1259 845 A 71 LEU HD1% A 71 LEU HBy 1.0 1.8 5.0 1260 846 A 71 LEU H A 71 LEU HD1% 1.0 1.8 5.0 1261 847 A 71 LEU H A 71 LEU HD2% 1.0 1.8 5.0 1262 848 A 71 LEU H A 71 LEU HG 1.0 1.8 5.0 1263 849 A 72 LYS HA A 72 LYS HEx 1.0 1.8 5.0 1264 849 A 72 LYS HA A 72 LYS HEy 1.0 1.8 5.0 1265 850 A 72 LYS HBy A 72 LYS HDx 1.0 1.8 5.0 1266 850 A 72 LYS HBx A 72 LYS HDx 1.0 1.8 5.0 1267 850 A 72 LYS HDy A 72 LYS HBx 1.0 1.8 5.0 1268 850 A 72 LYS HBy A 72 LYS HDy 1.0 1.8 5.0 1269 851 A 72 LYS H A 72 LYS HGx 1.0 1.8 5.0 1270 851 A 72 LYS H A 72 LYS HGy 1.0 1.8 5.0 1271 852 A 73 ARG HE A 73 ARG HBx 1.0 1.8 5.0 1272 852 A 73 ARG HBy A 73 ARG HE 1.0 1.8 5.0 1273 853 A 73 ARG HE A 73 ARG HGx 1.0 1.8 5.0 1274 853 A 73 ARG HGy A 73 ARG HE 1.0 1.8 5.0 1275 854 A 73 ARG H A 73 ARG HDx 1.0 1.8 5.0 1276 854 A 73 ARG H A 73 ARG HDy 1.0 1.8 5.0 1277 855 A 73 ARG H A 73 ARG HGx 1.0 1.8 5.0 1278 855 A 73 ARG H A 73 ARG HGy 1.0 1.8 5.0 1279 856 A 75 GLU HGy A 75 GLU H 1.0 1.8 5.0 1280 856 A 75 GLU H A 75 GLU HGx 1.0 1.8 5.0 1281 857 A 76 LYS HBx A 76 LYS HDx 1.0 1.8 5.0 1282 857 A 76 LYS HBy A 76 LYS HDx 1.0 1.8 5.0 1283 857 A 76 LYS HDy A 76 LYS HBx 1.0 1.8 5.0 1284 857 A 76 LYS HBy A 76 LYS HDy 1.0 1.8 5.0 1285 858 A 76 LYS HBy A 76 LYS HEx 1.0 1.8 5.0 1286 858 A 76 LYS HBx A 76 LYS HEx 1.0 1.8 5.0 1287 858 A 76 LYS HEy A 76 LYS HBx 1.0 1.8 5.0 1288 858 A 76 LYS HEy A 76 LYS HBy 1.0 1.8 5.0 1289 859 A 76 LYS H A 76 LYS HDx 1.0 1.8 5.0 1290 859 A 76 LYS H A 76 LYS HDy 1.0 1.8 5.0 1291 860 A 77 ILE HA A 77 ILE HD1% 1.0 1.8 5.0 1292 861 A 77 ILE HG2% A 77 ILE HD1% 1.0 1.8 5.0 1293 862 A 77 ILE HD1% A 77 ILE H 1.0 1.8 5.0 1294 863 A 77 ILE HG1y A 77 ILE H 1.0 1.8 5.0 1295 863 A 77 ILE H A 77 ILE HG1x 1.0 1.8 5.0 1296 864 A 78 LYS HBx A 78 LYS HDx 1.0 1.8 5.0 1297 864 A 78 LYS HBy A 78 LYS HDx 1.0 1.8 5.0 1298 864 A 78 LYS HDy A 78 LYS HBx 1.0 1.8 5.0 1299 864 A 78 LYS HDy A 78 LYS HBy 1.0 1.8 5.0 1300 865 A 78 LYS HBx A 78 LYS HEx 1.0 1.8 5.0 1301 865 A 78 LYS HBy A 78 LYS HEx 1.0 1.8 5.0 1302 865 A 78 LYS HEy A 78 LYS HBx 1.0 1.8 5.0 1303 865 A 78 LYS HEy A 78 LYS HBy 1.0 1.8 5.0 1304 866 A 78 LYS HGy A 78 LYS H 1.0 1.8 5.0 1305 866 A 78 LYS H A 78 LYS HGx 1.0 1.8 5.0 1306 867 A 79 VAL HA A 79 VAL HG1% 1.0 1.8 3.0 1307 868 A 79 VAL HG1% A 79 VAL H 1.0 1.8 5.0 1308 869 A 79 VAL HG2% A 79 VAL H 1.0 1.8 5.0 1309 870 A 80 TRP HA A 80 TRP HD1 1.0 1.8 5.0 1310 871 A 80 TRP HD1 A 80 TRP HBx 1.0 1.8 5.0 1311 871 A 80 TRP HD1 A 80 TRP HBy 1.0 1.8 5.0 1312 872 A 80 TRP HE3 A 80 TRP HBx 1.0 1.8 5.0 1313 872 A 80 TRP HE3 A 80 TRP HBy 1.0 1.8 5.0 1314 873 A 80 TRP HE3 A 80 TRP H 1.0 1.8 5.0 1315 874 A 81 PHE HA A 81 PHE HD% 1.0 1.8 5.0 1316 875 A 81 PHE HD% A 81 PHE HBx 1.0 1.8 5.0 1317 875 A 81 PHE HD% A 81 PHE HBy 1.0 1.8 5.0 1318 876 A 81 PHE HD% A 81 PHE H 1.0 1.8 5.0 1319 877 A 83 THR H A 83 THR HG2% 1.0 1.8 5.0 1320 878 A 84 ARG HE A 84 ARG HBx 1.0 1.8 5.0 1321 878 A 84 ARG HBy A 84 ARG HE 1.0 1.8 5.0 1322 879 A 84 ARG HE A 84 ARG HGx 1.0 1.8 5.0 1323 879 A 84 ARG HGy A 84 ARG HE 1.0 1.8 5.0 1324 880 A 84 ARG H A 84 ARG HGx 1.0 1.8 5.0 1325 880 A 84 ARG H A 84 ARG HGy 1.0 1.8 5.0 1326 881 A 85 LYS HA A 85 LYS HDx 1.0 1.8 5.0 1327 881 A 85 LYS HA A 85 LYS HDy 1.0 1.8 5.0 1328 882 A 85 LYS HBy A 85 LYS HEx 1.0 1.8 5.0 1329 882 A 85 LYS HBx A 85 LYS HEx 1.0 1.8 5.0 1330 882 A 85 LYS HEy A 85 LYS HBx 1.0 1.8 5.0 1331 882 A 85 LYS HBy A 85 LYS HEy 1.0 1.8 5.0 1332 883 A 85 LYS H A 85 LYS HGx 1.0 1.8 5.0 1333 883 A 85 LYS H A 85 LYS HGy 1.0 1.8 5.0 1334 884 A 86 GLU H A 86 GLU HGx 1.0 1.8 5.0 1335 884 A 86 GLU H A 86 GLU HGy 1.0 1.8 5.0 1336 885 A 88 ASN HBx A 88 ASN HD2y 1.0 1.8 5.0 1337 885 A 88 ASN HBy A 88 ASN HD2y 1.0 1.8 5.0 1338 885 A 88 ASN HD2x A 88 ASN HBx 1.0 1.8 5.0 1339 885 A 88 ASN HBy A 88 ASN HD2x 1.0 1.8 5.0 1340 886 A 93 THR H A 93 THR HG2% 1.0 1.8 5.0 1341 887 A 94 ILE HG2% A 94 ILE HG1x 1.0 1.8 5.0 1342 887 A 94 ILE HG1y A 94 ILE HG2% 1.0 1.8 5.0 1343 888 A 94 ILE HD1% A 94 ILE HG2% 1.0 1.8 5.0 1344 889 A 94 ILE HD1% A 94 ILE H 1.0 1.8 5.0 1345 890 A 94 ILE HG1y A 94 ILE H 1.0 1.8 5.0 1346 890 A 94 ILE H A 94 ILE HG1x 1.0 1.8 5.0 1347 891 A 95 GLN HE2y A 95 GLN HGx 1.0 1.8 5.0 1348 891 A 95 GLN HGy A 95 GLN HE2y 1.0 1.8 5.0 1349 891 A 95 GLN HGy A 95 GLN HE2x 1.0 1.8 5.0 1350 891 A 95 GLN HE2x A 95 GLN HGx 1.0 1.8 5.0 1351 892 A 95 GLN H A 95 GLN HGx 1.0 1.8 5.0 1352 892 A 95 GLN H A 95 GLN HGy 1.0 1.8 5.0 1353 893 A 96 LYS HBx A 96 LYS HDy 1.0 1.8 5.0 1354 893 A 96 LYS HBy A 96 LYS HDy 1.0 1.8 5.0 1355 894 A 96 LYS HDx A 96 LYS HBx 1.0 1.8 5.0 1356 894 A 96 LYS HDx A 96 LYS HBy 1.0 1.8 5.0 1357 895 A 96 LYS HEy A 96 LYS HGy 1.0 1.8 5.0 1358 895 A 96 LYS HEx A 96 LYS HGy 1.0 1.8 5.0 1359 896 A 96 LYS HGx A 96 LYS HEx 1.0 1.8 5.0 1360 896 A 96 LYS HGx A 96 LYS HEy 1.0 1.8 5.0 1361 897 A 96 LYS H A 96 LYS HGy 1.0 1.8 5.0 1362 897 A 96 LYS H A 96 LYS HGx 1.0 1.8 5.0 1363 898 A 97 TYR HA A 97 TYR HD% 1.0 1.8 5.0 1364 899 A 97 TYR HD% A 97 TYR HBx 1.0 1.8 5.0 1365 899 A 97 TYR HD% A 97 TYR HBy 1.0 1.8 5.0 1366 900 A 97 TYR HE% A 97 TYR HBx 1.0 1.8 5.0 1367 900 A 97 TYR HBy A 97 TYR HE% 1.0 1.8 5.0 1368 901 A 97 TYR H A 97 TYR HD% 1.0 1.8 5.0 1369 902 A 97 TYR H A 97 TYR HE% 1.0 1.8 5.0 1370 903 A 98 GLU HGy A 98 GLU H 1.0 1.8 5.0 1371 903 A 98 GLU H A 98 GLU HGx 1.0 1.8 5.0 1372 904 A 99 LEU HA A 99 LEU HD1% 1.0 1.8 5.0 1373 905 A 99 LEU HA A 99 LEU HD2% 1.0 1.8 4.0 1374 906 A 99 LEU HD1% A 99 LEU HBx 1.0 1.8 5.0 1375 906 A 99 LEU HD1% A 99 LEU HBy 1.0 1.8 5.0 1376 907 A 99 LEU HD2% A 99 LEU HBx 1.0 1.8 5.0 1377 907 A 99 LEU HD2% A 99 LEU HBy 1.0 1.8 5.0 1378 908 A 99 LEU H A 99 LEU HD1% 1.0 1.8 5.0 1379 909 A 99 LEU H A 99 LEU HD2% 1.0 1.8 5.0 1380 910 A 99 LEU H A 99 LEU HG 1.0 1.8 5.0 1381 911 A 100 LEU HA A 100 LEU HD1% 1.0 1.8 5.0 1382 912 A 100 LEU HA A 100 LEU HD2% 1.0 1.8 4.0 1383 913 A 100 LEU HD1% A 100 LEU HBx 1.0 1.8 5.0 1384 913 A 100 LEU HD1% A 100 LEU HBy 1.0 1.8 5.0 1385 914 A 100 LEU HD2% A 100 LEU HBx 1.0 1.8 5.0 1386 914 A 100 LEU HD2% A 100 LEU HBy 1.0 1.8 5.0 1387 915 A 100 LEU HD1% A 100 LEU H 1.0 1.8 5.0 1388 916 A 100 LEU HD2% A 100 LEU H 1.0 1.8 5.0 1389 917 A 100 LEU HG A 100 LEU H 1.0 1.8 5.0 1390 918 A 101 LEU HA A 101 LEU HD1% 1.0 1.8 5.0 1391 919 A 101 LEU HA A 101 LEU HD2% 1.0 1.8 5.0 1392 920 A 101 LEU HD1% A 101 LEU HBx 1.0 1.8 5.0 1393 920 A 101 LEU HD1% A 101 LEU HBy 1.0 1.8 5.0 1394 921 A 101 LEU H A 101 LEU HD1% 1.0 1.8 5.0 1395 922 A 101 LEU H A 101 LEU HD2% 1.0 1.8 5.0 1396 923 A 101 LEU H A 101 LEU HG 1.0 1.8 5.0 1397 924 A 102 GLU H A 102 GLU HGx 1.0 1.8 5.0 1398 924 A 102 GLU H A 102 GLU HGy 1.0 1.8 5.0 1399 925 A 17 VAL HG1% A 18 GLY HAx 1.0 1.8 5.0 1400 925 A 17 VAL HG1% A 18 GLY HAy 1.0 1.8 5.0 1401 926 A 19 TYR HD% A 18 GLY HAx 1.0 1.8 5.0 1402 926 A 18 GLY HAy A 19 TYR HD% 1.0 1.8 5.0 1403 927 A 19 TYR HA A 20 VAL HG2% 1.0 1.8 5.0 1404 928 A 25 ASN HBy A 26 GLU HBx 1.0 1.8 5.0 1405 928 A 26 GLU HBy A 25 ASN HBx 1.0 1.8 5.0 1406 928 A 25 ASN HBy A 26 GLU HBy 1.0 1.8 5.0 1407 928 A 25 ASN HBx A 26 GLU HBx 1.0 1.8 5.0 1408 929 A 25 ASN HBx A 26 GLU HGx 1.0 1.8 5.0 1409 929 A 25 ASN HBy A 26 GLU HGx 1.0 1.8 5.0 1410 929 A 26 GLU HGy A 25 ASN HBx 1.0 1.8 5.0 1411 929 A 26 GLU HGy A 25 ASN HBy 1.0 1.8 5.0 1412 930 A 26 GLU HBy A 27 ARG HBx 1.0 1.8 5.0 1413 930 A 26 GLU HBx A 27 ARG HBx 1.0 1.8 5.0 1414 930 A 27 ARG HBy A 26 GLU HBx 1.0 1.8 5.0 1415 930 A 27 ARG HBy A 26 GLU HBy 1.0 1.8 5.0 1416 931 A 26 GLU HBy A 27 ARG HDx 1.0 1.8 5.0 1417 931 A 26 GLU HBx A 27 ARG HDx 1.0 1.8 5.0 1418 931 A 27 ARG HDy A 26 GLU HBx 1.0 1.8 5.0 1419 931 A 27 ARG HDy A 26 GLU HBy 1.0 1.8 5.0 1420 932 A 26 GLU HBx A 27 ARG HGx 1.0 1.8 5.0 1421 932 A 26 GLU HBy A 27 ARG HGx 1.0 1.8 5.0 1422 932 A 27 ARG HGy A 26 GLU HBx 1.0 1.8 5.0 1423 932 A 27 ARG HGy A 26 GLU HBy 1.0 1.8 5.0 1424 933 A 28 ALA HA A 29 ILE HG1y 1.0 1.8 5.0 1425 933 A 28 ALA HA A 29 ILE HG1x 1.0 1.8 5.0 1426 934 A 29 ILE HA A 28 ALA HB% 1.0 1.8 5.0 1427 935 A 28 ALA HB% A 29 ILE HG1y 1.0 1.8 5.0 1428 935 A 29 ILE HG1x A 28 ALA HB% 1.0 1.8 5.0 1429 936 A 31 ILE HA A 32 THR HG2% 1.0 1.8 5.0 1430 937 A 37 PRO HA A 36 ALA HB% 1.0 1.8 5.0 1431 938 A 36 ALA HB% A 37 PRO HDy 1.0 1.8 5.0 1432 939 A 36 ALA HB% A 37 PRO HDx 1.0 1.8 5.0 1433 940 A 37 PRO HBx A 38 GLY HAy 1.0 1.8 5.0 1434 940 A 37 PRO HBy A 38 GLY HAy 1.0 1.8 5.0 1435 940 A 38 GLY HAx A 37 PRO HBx 1.0 1.8 5.0 1436 940 A 38 GLY HAx A 37 PRO HBy 1.0 1.8 5.0 1437 941 A 40 GLU HA A 39 LYS HBx 1.0 1.8 5.0 1438 941 A 40 GLU HA A 39 LYS HBy 1.0 1.8 5.0 1439 942 A 40 GLU HA A 39 LYS HGx 1.0 1.8 5.0 1440 942 A 40 GLU HA A 39 LYS HGy 1.0 1.8 5.0 1441 943 A 49 LEU HA A 48 GLN HBx 1.0 1.8 5.0 1442 943 A 49 LEU HA A 48 GLN HBy 1.0 1.8 5.0 1443 944 A 52 LYS HA A 51 ASN HBx 1.0 1.8 5.0 1444 944 A 51 ASN HBy A 52 LYS HA 1.0 1.8 5.0 1445 945 A 53 PHE HD% A 52 LYS HBx 1.0 1.8 5.0 1446 945 A 52 LYS HBy A 53 PHE HD% 1.0 1.8 5.0 1447 946 A 53 PHE HE% A 52 LYS HBx 1.0 1.8 5.0 1448 946 A 52 LYS HBy A 53 PHE HE% 1.0 1.8 5.0 1449 947 A 53 PHE HE% A 52 LYS HDx 1.0 1.8 5.0 1450 947 A 53 PHE HE% A 52 LYS HDy 1.0 1.8 5.0 1451 948 A 53 PHE HE% A 52 LYS HEx 1.0 1.8 5.0 1452 948 A 53 PHE HE% A 52 LYS HEy 1.0 1.8 5.0 1453 949 A 53 PHE HD% A 52 LYS HGx 1.0 1.8 5.0 1454 949 A 53 PHE HD% A 52 LYS HGy 1.0 1.8 5.0 1455 950 A 53 PHE HE% A 52 LYS HGx 1.0 1.8 5.0 1456 950 A 53 PHE HE% A 52 LYS HGy 1.0 1.8 5.0 1457 951 A 54 LYS HEx A 55 ASN HD2y 1.0 1.8 5.0 1458 951 A 54 LYS HEy A 55 ASN HD2y 1.0 1.8 5.0 1459 951 A 55 ASN HD2x A 54 LYS HEx 1.0 1.8 5.0 1460 951 A 54 LYS HEy A 55 ASN HD2x 1.0 1.8 5.0 1461 952 A 54 LYS HGx A 55 ASN HD2y 1.0 1.8 5.0 1462 952 A 54 LYS HGy A 55 ASN HD2y 1.0 1.8 5.0 1463 952 A 55 ASN HD2x A 54 LYS HGx 1.0 1.8 5.0 1464 952 A 54 LYS HGy A 55 ASN HD2x 1.0 1.8 5.0 1465 953 A 55 ASN HBx A 56 ASN HD2y 1.0 1.8 5.0 1466 953 A 55 ASN HBy A 56 ASN HD2y 1.0 1.8 5.0 1467 953 A 56 ASN HD2x A 55 ASN HBx 1.0 1.8 5.0 1468 953 A 56 ASN HD2x A 55 ASN HBy 1.0 1.8 5.0 1469 954 A 57 ILE HB A 56 ASN HBx 1.0 1.8 5.0 1470 954 A 57 ILE HB A 56 ASN HBy 1.0 1.8 5.0 1471 955 A 57 ILE HA A 58 VAL HG2% 1.0 1.8 5.0 1472 956 A 58 VAL HA A 57 ILE HG2% 1.0 1.8 5.0 1473 957 A 58 VAL HA A 59 ILE HG1x 1.0 1.8 5.0 1474 957 A 58 VAL HA A 59 ILE HG1y 1.0 1.8 5.0 1475 958 A 59 ILE HA A 58 VAL HG1% 1.0 1.8 5.0 1476 959 A 59 ILE HA A 60 VAL HG2% 1.0 1.8 5.0 1477 960 A 62 LEU HG A 61 GLY HAx 1.0 1.8 5.0 1478 960 A 61 GLY HAy A 62 LEU HG 1.0 1.8 5.0 1479 961 A 65 ILE HG2% A 66 ASP HBx 1.0 1.8 5.0 1480 961 A 65 ILE HG2% A 66 ASP HBy 1.0 1.8 5.0 1481 962 A 79 VAL HA A 80 TRP HE3 1.0 1.8 5.0 1482 963 A 80 TRP HA A 81 PHE HD% 1.0 1.8 5.0 1483 964 A 83 THR HG2% A 82 HIS HBx 1.0 1.8 5.0 1484 964 A 83 THR HG2% A 82 HIS HBy 1.0 1.8 5.0 1485 965 A 88 ASN HA A 89 PRO HA 1.0 1.8 4.0 1486 966 A 89 PRO HA A 88 ASN HBx 1.0 1.8 5.0 1487 966 A 88 ASN HBy A 89 PRO HA 1.0 1.8 5.0 1488 967 A 89 PRO HBx A 90 PRO HDx 1.0 1.8 5.0 1489 967 A 89 PRO HBy A 90 PRO HDx 1.0 1.8 5.0 1490 967 A 90 PRO HDy A 89 PRO HBx 1.0 1.8 5.0 1491 967 A 90 PRO HDy A 89 PRO HBy 1.0 1.8 5.0 1492 968 A 93 THR HA A 94 ILE HG2% 1.0 1.8 5.0 1493 969 A 97 TYR HA A 96 LYS HBx 1.0 1.8 5.0 1494 969 A 97 TYR HA A 96 LYS HBy 1.0 1.8 5.0 1495 970 A 98 GLU HA A 97 TYR HD% 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 79 VAL O A 16 LEU N 1.0 2.7 3.3 2 2 A 79 VAL O A 16 LEU H 1.0 1.7 2.3 3 3 A 77 ILE O A 18 GLY N 1.0 2.7 3.3 4 4 A 77 ILE O A 18 GLY H 1.0 1.7 2.3 5 5 A 75 GLU O A 20 VAL N 1.0 2.7 3.3 6 6 A 75 GLU O A 20 VAL H 1.0 1.7 2.3 7 7 A 29 ILE O A 22 LEU N 1.0 2.7 3.3 8 8 A 29 ILE O A 22 LEU H 1.0 1.7 2.3 9 9 A 27 ARG O A 24 ASP N 1.0 2.7 3.3 10 10 A 27 ARG O A 24 ASP H 1.0 1.7 2.3 11 11 A 60 VAL O A 28 ALA N 1.0 2.7 3.3 12 12 A 60 VAL O A 28 ALA H 1.0 1.7 2.3 13 13 A 22 LEU O A 29 ILE N 1.0 2.7 3.3 14 14 A 22 LEU O A 29 ILE H 1.0 1.7 2.3 15 15 A 58 VAL O A 30 LEU N 1.0 2.7 3.3 16 16 A 58 VAL O A 30 LEU H 1.0 1.7 2.3 17 17 A 38 GLY O A 42 TYR N 1.0 2.7 3.3 18 18 A 38 GLY O A 42 TYR H 1.0 1.7 2.3 19 19 A 40 GLU O A 44 LEU N 1.0 2.7 3.3 20 20 A 40 GLU O A 44 LEU H 1.0 1.7 2.3 21 21 A 45 SER O A 49 LEU N 1.0 2.7 3.3 22 22 A 45 SER O A 49 LEU H 1.0 1.7 2.3 23 23 A 46 GLU O A 50 MET N 1.0 2.7 3.3 24 24 A 46 GLU O A 50 MET H 1.0 1.7 2.3 25 25 A 47 GLY O A 51 ASN N 1.0 2.7 3.3 26 26 A 47 GLY O A 51 ASN H 1.0 1.7 2.3 27 27 A 49 LEU O A 53 PHE N 1.0 2.7 3.3 28 28 A 49 LEU O A 53 PHE H 1.0 1.7 2.3 29 29 A 30 LEU O A 58 VAL N 1.0 2.7 3.3 30 30 A 30 LEU O A 58 VAL H 1.0 1.7 2.3 31 31 A 90 PRO O A 59 ILE N 1.0 2.7 3.3 32 32 A 90 PRO O A 59 ILE H 1.0 1.7 2.3 33 33 A 28 ALA O A 60 VAL N 1.0 2.7 3.3 34 34 A 28 ALA O A 60 VAL H 1.0 1.7 2.3 35 35 A 92 ALA O A 61 GLY N 1.0 2.7 3.3 36 36 A 92 ALA O A 61 GLY H 1.0 1.7 2.3 37 37 A 26 GLU O A 62 LEU N 1.0 2.7 3.3 38 38 A 26 GLU O A 62 LEU H 1.0 1.7 2.3 39 39 A 20 VAL O A 75 GLU N 1.0 2.7 3.3 40 40 A 20 VAL O A 75 GLU H 1.0 1.7 2.3 41 41 A 18 GLY O A 77 ILE N 1.0 2.7 3.3 42 42 A 18 GLY O A 77 ILE H 1.0 1.7 2.3 43 43 A 98 GLU O A 78 LYS N 1.0 2.7 3.3 44 44 A 98 GLU O A 78 LYS H 1.0 1.7 2.3 45 45 A 16 LEU O A 79 VAL N 1.0 2.7 3.3 46 46 A 16 LEU O A 79 VAL H 1.0 1.7 2.3 47 47 A 96 LYS O A 80 TRP N 1.0 2.7 3.3 48 48 A 96 LYS O A 80 TRP H 1.0 1.7 2.3 49 49 A 14 GLN O A 81 PHE N 1.0 2.7 3.3 50 50 A 14 GLN O A 81 PHE H 1.0 1.7 2.3 51 51 A 85 LYS O A 91 SER N 1.0 2.7 3.3 52 52 A 85 LYS O A 91 SER H 1.0 1.7 2.3 53 53 A 61 GLY O A 94 ILE N 1.0 2.7 3.3 54 54 A 61 GLY O A 94 ILE H 1.0 1.7 2.3 55 55 A 78 LYS O A 98 GLU N 1.0 2.7 3.3 56 56 A 78 LYS O A 98 GLU H 1.0 1.7 2.3 57 57 A 76 LYS O A 100 LEU N 1.0 2.7 3.3 58 58 A 76 LYS O A 100 LEU 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 13 MET C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -143.73 -83.73 PHI 2 2 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 SER N 1.0 115.12 195.12 PSI 3 3 A 15 SER C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -176.56 -116.56 PHI 4 4 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 VAL N 1.0 106.35 186.35 PSI 5 5 A 16 LEU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -149.95 -89.95 PHI 6 6 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 GLY N 1.0 100.38 180.38 PSI 7 7 A 17 VAL C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 -208.67 -148.67 PHI 8 8 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 TYR N 1.0 133.98 213.98 PSI 9 9 A 18 GLY C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -142.82 -82.82 PHI 10 10 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 VAL N 1.0 96.97 176.97 PSI 11 11 A 21 VAL C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -163.40 -103.40 PHI 12 12 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 LYS N 1.0 98.83 178.83 PSI 13 13 A 22 LEU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -148.42 -88.42 PHI 14 14 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ASP N 1.0 88.23 168.23 PSI 15 15 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -164.24 -104.24 PHI 16 16 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ALA N 1.0 108.31 188.31 PSI 17 17 A 27 ARG C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -157.81 -97.81 PHI 18 18 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 ILE N 1.0 102.92 182.92 PSI 19 19 A 28 ALA C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -145.65 -85.65 PHI 20 20 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 LEU N 1.0 78.89 158.89 PSI 21 21 A 29 ILE C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -147.17 -87.17 PHI 22 22 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 ILE N 1.0 101.44 181.44 PSI 23 23 A 38 GLY C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -86.01 -26.01 PHI 24 24 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 GLU N 1.0 -79.65 0.35 PSI 25 25 A 39 LYS C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -93.30 -33.30 PHI 26 26 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ASP N 1.0 -79.33 0.67 PSI 27 27 A 40 GLU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -97.77 -37.77 PHI 28 28 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 TYR N 1.0 -73.75 6.25 PSI 29 29 A 41 ASP C A 42 TYR N A 42 TYR CA A 42 TYR C 1.0 -105.43 -45.43 PHI 30 30 A 42 TYR N A 42 TYR CA A 42 TYR C A 43 ASN N 1.0 -59.71 20.29 PSI 31 31 A 44 LEU C A 45 SER N A 45 SER CA A 45 SER C 1.0 -116.55 -56.55 PHI 32 32 A 45 SER N A 45 SER CA A 45 SER C A 46 GLU N 1.0 123.49 203.49 PSI 33 33 A 45 SER C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -88.99 -28.99 PHI 34 34 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLY N 1.0 -76.22 3.78 PSI 35 35 A 46 GLU C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 -92.43 -32.43 PHI 36 36 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 GLN N 1.0 -81.99 -1.99 PSI 37 37 A 47 GLY C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -95.07 -35.07 PHI 38 38 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 LEU N 1.0 -81.06 -1.06 PSI 39 39 A 48 GLN C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -94.88 -34.88 PHI 40 40 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 MET N 1.0 -80.71 -0.71 PSI 41 41 A 49 LEU C A 50 MET N A 50 MET CA A 50 MET C 1.0 -94.26 -34.26 PHI 42 42 A 50 MET N A 50 MET CA A 50 MET C A 51 ASN N 1.0 -79.04 0.96 PSI 43 43 A 56 ASN C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -150.41 -90.41 PHI 44 44 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 VAL N 1.0 101.73 181.73 PSI 45 45 A 57 ILE C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -168.37 -108.37 PHI 46 46 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 ILE N 1.0 95.44 175.44 PSI 47 47 A 58 VAL C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -134.64 -74.64 PHI 48 48 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 VAL N 1.0 82.68 162.68 PSI 49 49 A 62 LEU C A 63 SER N A 63 SER CA A 63 SER C 1.0 -91.52 -31.52 PHI 50 50 A 63 SER N A 63 SER CA A 63 SER C A 64 GLU N 1.0 -69.73 10.27 PSI 51 51 A 67 ASN C A 68 THR N A 68 THR CA A 68 THR C 1.0 -119.68 -59.68 PHI 52 52 A 68 THR C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -90.95 -30.95 PHI 53 53 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 ASP N 1.0 -62.61 17.39 PSI 54 54 A 71 LEU C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -159.45 -99.45 PHI 55 55 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 ARG N 1.0 107.50 187.50 PSI 56 56 A 76 LYS C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -162.09 -102.09 PHI 57 57 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 LYS N 1.0 120.25 200.25 PSI 58 58 A 77 ILE C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -158.50 -98.50 PHI 59 59 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 VAL N 1.0 106.92 186.92 PSI 60 60 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 TRP N 1.0 113.37 193.37 PSI 61 61 A 79 VAL C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -151.88 -91.88 PHI 62 62 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 PHE N 1.0 104.04 184.04 PSI 63 63 A 80 TRP C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -167.37 -107.37 PHI 64 64 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 HIS N 1.0 115.98 195.98 PSI 65 65 A 83 THR C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -149.78 -89.78 PHI 66 66 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 LYS N 1.0 96.47 176.47 PSI 67 67 A 84 ARG C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -140.69 -80.69 PHI 68 68 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 GLU N 1.0 91.44 171.44 PSI 69 69 A 90 PRO C A 91 SER N A 91 SER CA A 91 SER C 1.0 -164.09 -104.09 PHI 70 70 A 91 SER N A 91 SER CA A 91 SER C A 92 ALA N 1.0 115.79 195.79 PSI 71 71 A 91 SER C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -158.28 -98.28 PHI 72 72 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 THR N 1.0 90.64 170.64 PSI 73 73 A 96 LYS C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -171.24 -111.24 PHI 74 74 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 GLU N 1.0 113.11 193.11 PSI 75 75 A 97 TYR C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -174.72 -114.72 PHI 76 76 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 LEU N 1.0 100.51 180.51 PSI 77 77 A 98 GLU C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -115.87 -55.87 PHI 78 78 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 LEU N 1.0 86.43 166.43 PSI stop_ save_