data_nef_c17176_2l3b 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 ASP middle . . 4 A 4 ASP middle . . 5 A 5 VAL middle . . 6 A 6 ASP middle . . 7 A 7 ILE middle . . 8 A 8 GLN middle . . 9 A 9 GLN middle . . 10 A 10 SER middle . . 11 A 11 TYR middle . . 12 A 12 PRO middle . false 13 A 13 PHE middle . . 14 A 14 SER middle . . 15 A 15 ILE middle . . 16 A 16 GLU middle . . 17 A 17 THR middle . . 18 A 18 MET middle . . 19 A 19 PRO middle . false 20 A 20 VAL middle . . 21 A 21 PRO middle . false 22 A 22 LYS middle . . 23 A 23 LYS middle . . 24 A 24 LEU middle . . 25 A 25 LYS middle . . 26 A 26 VAL middle . . 27 A 27 GLY middle . false 28 A 28 GLU middle . . 29 A 29 THR middle . . 30 A 30 ALA middle . . 31 A 31 GLU middle . . 32 A 32 ILE middle . . 33 A 33 ARG middle . . 34 A 34 CYS middle . . 35 A 35 GLN middle . . 36 A 36 LEU middle . . 37 A 37 HIS middle . . 38 A 38 ARG middle . . 39 A 39 ASP middle . . 40 A 40 GLY middle . false 41 A 41 ARG middle . . 42 A 42 PHE middle . . 43 A 43 GLU middle . . 44 A 44 GLU middle . . 45 A 45 THR middle . . 46 A 46 LYS middle . . 47 A 47 TYR middle . . 48 A 48 PHE middle . . 49 A 49 ILE middle . . 50 A 50 ARG middle . . 51 A 51 TYR middle . . 52 A 52 PHE middle . . 53 A 53 GLN middle . . 54 A 54 PRO middle . false 55 A 55 ASP middle . . 56 A 56 GLY middle . false 57 A 57 ALA middle . . 58 A 58 GLY middle . false 59 A 59 THR middle . . 60 A 60 LEU middle . . 61 A 61 LYS middle . . 62 A 62 MET middle . . 63 A 63 SER middle . . 64 A 64 ASP middle . . 65 A 65 GLY middle . false 66 A 66 THR middle . . 67 A 67 VAL middle . . 68 A 68 LEU middle . . 69 A 69 LEU middle . . 70 A 70 PRO middle . false 71 A 71 ASN middle . . 72 A 72 ASP middle . . 73 A 73 LEU middle . . 74 A 74 TYR middle . . 75 A 75 PRO middle . false 76 A 76 LEU middle . . 77 A 77 PRO middle . false 78 A 78 GLY middle . false 79 A 79 GLU middle . . 80 A 80 THR middle . . 81 A 81 PHE middle . . 82 A 82 ARG middle . . 83 A 83 LEU middle . . 84 A 84 TYR middle . . 85 A 85 TYR middle . . 86 A 86 THR middle . . 87 A 87 SER middle . . 88 A 88 ALA middle . . 89 A 89 SER middle . . 90 A 90 THR middle . . 91 A 91 ASP middle . . 92 A 92 GLN middle . . 93 A 93 GLN middle . . 94 A 94 THR middle . . 95 A 95 VAL middle . . 96 A 96 ASP middle . . 97 A 97 VAL middle . . 98 A 98 TYR middle . . 99 A 99 PHE middle . . 100 A 100 GLN middle . . 101 A 101 ASP middle . . 102 A 102 SER middle . . 103 A 103 PHE middle . . 104 A 104 GLY middle . false 105 A 105 GLN middle . . 106 A 106 LEU middle . . 107 A 107 GLN middle . . 108 A 108 GLN middle . . 109 A 109 LEU middle . . 110 A 110 THR middle . . 111 A 111 PHE middle . . 112 A 112 SER middle . . 113 A 113 PHE middle . . 114 A 114 ASN middle . . 115 A 115 ASN middle . . 116 A 116 ASP middle . . 117 A 117 SER middle . . 118 A 118 SER middle . . 119 A 119 LYS middle . . 120 A 120 GLU middle . . 121 A 121 GLU middle . . 122 A 122 GLU middle . . 123 A 123 LEU middle . . 124 A 124 GLU middle . . 125 A 125 HIS middle . . 126 A 126 HIS middle . . 127 A 127 HIS middle . . 128 A 128 HIS middle . . 129 A 129 HIS middle . . 130 A 130 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 C C 13 174.5 0.2 A 1 MET CA C 13 53.7 0.2 A 1 MET CB C 13 38.5 0.2 A 2 ASN H H 1 8.43 0.02 A 2 ASN C C 13 175.6 0.2 A 2 ASN CA C 13 54.6 0.2 A 2 ASN CB C 13 41.1 0.2 A 2 ASN N N 15 120.2 0.2 A 3 ASP H H 1 8.36 0.02 A 3 ASP HA H 1 4.58 0.02 A 3 ASP HBx H 1 2.65 0.02 A 3 ASP HBy H 1 2.65 0.02 A 3 ASP C C 13 175.8 0.2 A 3 ASP CA C 13 54.5 0.2 A 3 ASP CB C 13 41.1 0.2 A 3 ASP N N 15 120.6 0.2 A 4 ASP H H 1 8.32 0.02 A 4 ASP HA H 1 4.61 0.02 A 4 ASP HBx H 1 2.64 0.02 A 4 ASP HBy H 1 2.72 0.02 A 4 ASP C C 13 176.2 0.2 A 4 ASP CA C 13 54.5 0.2 A 4 ASP CB C 13 40.9 0.2 A 4 ASP N N 15 120.1 0.2 A 5 VAL H H 1 7.96 0.02 A 5 VAL HA H 1 4.10 0.02 A 5 VAL HB H 1 2.10 0.02 A 5 VAL HG1% H 1 0.93 0.02 A 5 VAL HG2% H 1 0.93 0.02 A 5 VAL C C 13 175.7 0.2 A 5 VAL CA C 13 62.3 0.2 A 5 VAL CB C 13 32.9 0.2 A 5 VAL CG1 C 13 21.1 0.2 A 5 VAL CG2 C 13 20.3 0.2 A 5 VAL N N 15 119.2 0.2 A 6 ASP H H 1 8.39 0.02 A 6 ASP HA H 1 4.65 0.02 A 6 ASP HBx H 1 2.60 0.02 A 6 ASP HBy H 1 2.72 0.02 A 6 ASP C C 13 176.2 0.2 A 6 ASP CA C 13 54.3 0.2 A 6 ASP CB C 13 41.1 0.2 A 6 ASP N N 15 123.8 0.2 A 7 ILE H H 1 8.03 0.02 A 7 ILE HA H 1 4.13 0.02 A 7 ILE HB H 1 1.87 0.02 A 7 ILE HD1% H 1 0.85 0.02 A 7 ILE HG1x H 1 1.19 0.02 A 7 ILE HG1y H 1 1.43 0.02 A 7 ILE HG2% H 1 0.88 0.02 A 7 ILE C C 13 176.2 0.2 A 7 ILE CA C 13 61.4 0.2 A 7 ILE CB C 13 38.7 0.2 A 7 ILE CD1 C 13 13.1 0.2 A 7 ILE CG1 C 13 27.3 0.2 A 7 ILE CG2 C 13 17.6 0.2 A 7 ILE N N 15 121.2 0.2 A 8 GLN H H 1 8.37 0.02 A 8 GLN HA H 1 4.22 0.02 A 8 GLN HBx H 1 1.95 0.02 A 8 GLN HBy H 1 2.04 0.02 A 8 GLN HE21 H 1 7.55 0.02 A 8 GLN HE22 H 1 6.83 0.02 A 8 GLN HGx H 1 2.30 0.02 A 8 GLN HGy H 1 2.30 0.02 A 8 GLN C C 13 175.7 0.2 A 8 GLN CA C 13 56.0 0.2 A 8 GLN CB C 13 29.2 0.2 A 8 GLN CD C 13 180.3 0.2 A 8 GLN CG C 13 33.7 0.2 A 8 GLN N N 15 123.6 0.2 A 8 GLN NE2 N 15 112.5 0.2 A 9 GLN H H 1 8.17 0.02 A 9 GLN HA H 1 4.17 0.02 A 9 GLN HBx H 1 1.82 0.02 A 9 GLN HBy H 1 1.90 0.02 A 9 GLN HE21 H 1 7.44 0.02 A 9 GLN HE22 H 1 6.81 0.02 A 9 GLN HGx H 1 2.18 0.02 A 9 GLN HGy H 1 2.18 0.02 A 9 GLN C C 13 175.0 0.2 A 9 GLN CA C 13 55.6 0.2 A 9 GLN CB C 13 29.7 0.2 A 9 GLN CD C 13 180.2 0.2 A 9 GLN CG C 13 33.6 0.2 A 9 GLN N N 15 120.9 0.2 A 9 GLN NE2 N 15 112.3 0.2 A 10 SER H H 1 7.88 0.02 A 10 SER HA H 1 4.18 0.02 A 10 SER HBx H 1 3.49 0.02 A 10 SER HBy H 1 3.55 0.02 A 10 SER C C 13 173.3 0.2 A 10 SER CA C 13 57.6 0.2 A 10 SER CB C 13 64.1 0.2 A 10 SER N N 15 115.8 0.2 A 11 TYR H H 1 8.20 0.02 A 11 TYR HA H 1 4.88 0.02 A 11 TYR HBx H 1 2.79 0.02 A 11 TYR HBy H 1 3.08 0.02 A 11 TYR HDx H 1 7.03 0.02 A 11 TYR HDy H 1 7.03 0.02 A 11 TYR HEx H 1 6.70 0.02 A 11 TYR HEy H 1 6.70 0.02 A 11 TYR CA C 13 55.8 0.2 A 11 TYR CB C 13 38.9 0.2 A 11 TYR CDx C 13 133.4 0.2 A 11 TYR CDy C 13 133.4 0.2 A 11 TYR CEx C 13 118.1 0.2 A 11 TYR CEy C 13 118.1 0.2 A 11 TYR N N 15 121.9 0.2 A 12 PRO HA H 1 4.66 0.02 A 12 PRO HBx H 1 1.99 0.02 A 12 PRO HBy H 1 2.29 0.02 A 12 PRO HDx H 1 3.69 0.02 A 12 PRO HDy H 1 3.77 0.02 A 12 PRO HGx H 1 2.04 0.02 A 12 PRO HGy H 1 2.04 0.02 A 12 PRO C C 13 176.0 0.2 A 12 PRO CA C 13 63.6 0.2 A 12 PRO CB C 13 32.4 0.2 A 12 PRO CD C 13 50.7 0.2 A 12 PRO CG C 13 27.4 0.2 A 13 PHE H H 1 7.95 0.02 A 13 PHE HA H 1 5.46 0.02 A 13 PHE HBx H 1 3.21 0.02 A 13 PHE HBy H 1 3.30 0.02 A 13 PHE HDx H 1 7.16 0.02 A 13 PHE HDy H 1 7.16 0.02 A 13 PHE C C 13 173.1 0.2 A 13 PHE CA C 13 55.5 0.2 A 13 PHE CB C 13 41.5 0.2 A 13 PHE CDx C 13 133.0 0.2 A 13 PHE CDy C 13 133.0 0.2 A 13 PHE N N 15 117.0 0.2 A 14 SER H H 1 9.01 0.02 A 14 SER HA H 1 4.55 0.02 A 14 SER HBx H 1 3.77 0.02 A 14 SER HBy H 1 3.77 0.02 A 14 SER C C 13 172.3 0.2 A 14 SER CA C 13 57.0 0.2 A 14 SER CB C 13 66.0 0.2 A 14 SER N N 15 113.4 0.2 A 15 ILE H H 1 8.86 0.02 A 15 ILE HA H 1 4.83 0.02 A 15 ILE HB H 1 1.55 0.02 A 15 ILE HD1% H 1 0.36 0.02 A 15 ILE HG1x H 1 0.58 0.02 A 15 ILE HG1y H 1 0.68 0.02 A 15 ILE HG2% H 1 0.42 0.02 A 15 ILE C C 13 174.6 0.2 A 15 ILE CA C 13 59.0 0.2 A 15 ILE CB C 13 38.6 0.2 A 15 ILE CD1 C 13 12.9 0.2 A 15 ILE CG1 C 13 27.0 0.2 A 15 ILE CG2 C 13 17.9 0.2 A 15 ILE N N 15 121.5 0.2 A 16 GLU H H 1 8.87 0.02 A 16 GLU HA H 1 4.69 0.02 A 16 GLU HBx H 1 2.02 0.02 A 16 GLU HBy H 1 2.02 0.02 A 16 GLU HGx H 1 2.09 0.02 A 16 GLU HGy H 1 2.28 0.02 A 16 GLU C C 13 175.6 0.2 A 16 GLU CA C 13 54.3 0.2 A 16 GLU CB C 13 32.6 0.2 A 16 GLU CG C 13 35.8 0.2 A 16 GLU N N 15 127.7 0.2 A 17 THR H H 1 8.53 0.02 A 17 THR HA H 1 5.53 0.02 A 17 THR HB H 1 4.17 0.02 A 17 THR HG2% H 1 1.21 0.02 A 17 THR C C 13 174.9 0.2 A 17 THR CA C 13 59.3 0.2 A 17 THR CB C 13 71.5 0.2 A 17 THR CG2 C 13 22.4 0.2 A 17 THR N N 15 115.6 0.2 A 18 MET H H 1 7.51 0.02 A 18 MET HA H 1 4.92 0.02 A 18 MET HBx H 1 2.08 0.02 A 18 MET HBy H 1 2.26 0.02 A 18 MET HE% H 1 2.06 0.02 A 18 MET HGx H 1 2.58 0.02 A 18 MET HGy H 1 2.70 0.02 A 18 MET CA C 13 54.1 0.2 A 18 MET CB C 13 31.1 0.2 A 18 MET CE C 13 17.6 0.2 A 18 MET CG C 13 33.1 0.2 A 18 MET N N 15 121.1 0.2 A 19 PRO HA H 1 4.42 0.02 A 19 PRO HBx H 1 2.02 0.02 A 19 PRO HBy H 1 2.48 0.02 A 19 PRO HDx H 1 3.63 0.02 A 19 PRO HDy H 1 3.89 0.02 A 19 PRO HGx H 1 1.96 0.02 A 19 PRO HGy H 1 2.20 0.02 A 19 PRO C C 13 175.7 0.2 A 19 PRO CA C 13 64.5 0.2 A 19 PRO CB C 13 32.9 0.2 A 19 PRO CD C 13 50.7 0.2 A 19 PRO CG C 13 27.1 0.2 A 20 VAL H H 1 8.21 0.02 A 20 VAL HA H 1 4.89 0.02 A 20 VAL HB H 1 2.22 0.02 A 20 VAL HG1% H 1 1.09 0.02 A 20 VAL HG2% H 1 1.07 0.02 A 20 VAL CA C 13 58.2 0.2 A 20 VAL CB C 13 34.4 0.2 A 20 VAL CG1 C 13 22.5 0.2 A 20 VAL CG2 C 13 20.0 0.2 A 20 VAL N N 15 118.1 0.2 A 21 PRO HA H 1 4.63 0.02 A 21 PRO HBx H 1 2.12 0.02 A 21 PRO HBy H 1 2.63 0.02 A 21 PRO HDx H 1 3.67 0.02 A 21 PRO HDy H 1 4.06 0.02 A 21 PRO HGx H 1 2.15 0.02 A 21 PRO HGy H 1 2.24 0.02 A 21 PRO C C 13 176.2 0.2 A 21 PRO CA C 13 62.9 0.2 A 21 PRO CB C 13 32.8 0.2 A 21 PRO CD C 13 51.2 0.2 A 21 PRO CG C 13 27.8 0.2 A 22 LYS H H 1 8.55 0.02 A 22 LYS HA H 1 4.62 0.02 A 22 LYS HBx H 1 1.90 0.02 A 22 LYS HBy H 1 2.06 0.02 A 22 LYS HDx H 1 1.80 0.02 A 22 LYS HDy H 1 1.80 0.02 A 22 LYS HEx H 1 3.09 0.02 A 22 LYS HEy H 1 3.09 0.02 A 22 LYS HGx H 1 1.64 0.02 A 22 LYS HGy H 1 1.71 0.02 A 22 LYS C C 13 177.3 0.2 A 22 LYS CA C 13 57.1 0.2 A 22 LYS CB C 13 33.8 0.2 A 22 LYS CD C 13 28.7 0.2 A 22 LYS CE C 13 42.3 0.2 A 22 LYS CG C 13 25.4 0.2 A 22 LYS N N 15 117.4 0.2 A 23 LYS H H 1 7.86 0.02 A 23 LYS HA H 1 5.25 0.02 A 23 LYS HBx H 1 1.77 0.02 A 23 LYS HBy H 1 1.84 0.02 A 23 LYS HDx H 1 1.72 0.02 A 23 LYS HDy H 1 1.72 0.02 A 23 LYS HEx H 1 3.02 0.02 A 23 LYS HEy H 1 3.02 0.02 A 23 LYS HGx H 1 1.45 0.02 A 23 LYS HGy H 1 1.45 0.02 A 23 LYS CA C 13 54.6 0.2 A 23 LYS CB C 13 35.7 0.2 A 23 LYS CD C 13 29.4 0.2 A 23 LYS CE C 13 41.9 0.2 A 23 LYS CG C 13 24.7 0.2 A 23 LYS N N 15 118.5 0.2 A 24 LEU HA H 1 4.74 0.02 A 24 LEU HBx H 1 1.33 0.02 A 24 LEU HBy H 1 1.55 0.02 A 24 LEU HD1% H 1 0.29 0.02 A 24 LEU HD2% H 1 0.63 0.02 A 24 LEU HG H 1 1.25 0.02 A 24 LEU C C 13 177.1 0.2 A 24 LEU CA C 13 53.8 0.2 A 24 LEU CB C 13 47.7 0.2 A 24 LEU CD1 C 13 25.8 0.2 A 24 LEU CD2 C 13 23.9 0.2 A 24 LEU CG C 13 26.8 0.2 A 25 LYS H H 1 9.23 0.02 A 25 LYS HA H 1 4.43 0.02 A 25 LYS HBx H 1 1.58 0.02 A 25 LYS HBy H 1 1.93 0.02 A 25 LYS HDx H 1 1.64 0.02 A 25 LYS HDy H 1 1.64 0.02 A 25 LYS HEx H 1 3.00 0.02 A 25 LYS HEy H 1 3.00 0.02 A 25 LYS HGx H 1 1.52 0.02 A 25 LYS HGy H 1 1.52 0.02 A 25 LYS C C 13 176.5 0.2 A 25 LYS CA C 13 55.7 0.2 A 25 LYS CB C 13 33.1 0.2 A 25 LYS CD C 13 28.9 0.2 A 25 LYS CE C 13 41.8 0.2 A 25 LYS CG C 13 25.5 0.2 A 25 LYS N N 15 125.5 0.2 A 26 VAL H H 1 8.16 0.02 A 26 VAL HA H 1 3.35 0.02 A 26 VAL HB H 1 1.81 0.02 A 26 VAL HG1% H 1 0.79 0.02 A 26 VAL HG2% H 1 0.83 0.02 A 26 VAL C C 13 177.9 0.2 A 26 VAL CA C 13 65.6 0.2 A 26 VAL CB C 13 30.9 0.2 A 26 VAL CG1 C 13 20.9 0.2 A 26 VAL CG2 C 13 22.5 0.2 A 26 VAL N N 15 120.4 0.2 A 27 GLY H H 1 8.53 0.02 A 27 GLY HAx H 1 3.48 0.02 A 27 GLY HAy H 1 4.20 0.02 A 27 GLY C C 13 173.3 0.2 A 27 GLY CA C 13 45.1 0.2 A 27 GLY N N 15 115.8 0.2 A 28 GLU H H 1 8.09 0.02 A 28 GLU HA H 1 4.35 0.02 A 28 GLU HBx H 1 1.98 0.02 A 28 GLU HBy H 1 2.11 0.02 A 28 GLU HGx H 1 2.21 0.02 A 28 GLU HGy H 1 2.33 0.02 A 28 GLU C C 13 174.7 0.2 A 28 GLU CA C 13 56.0 0.2 A 28 GLU CB C 13 31.5 0.2 A 28 GLU CG C 13 37.3 0.2 A 28 GLU N N 15 122.5 0.2 A 29 THR H H 1 8.39 0.02 A 29 THR HA H 1 5.32 0.02 A 29 THR HB H 1 3.78 0.02 A 29 THR HG2% H 1 1.07 0.02 A 29 THR C C 13 174.2 0.2 A 29 THR CA C 13 61.3 0.2 A 29 THR CB C 13 71.0 0.2 A 29 THR CG2 C 13 22.6 0.2 A 29 THR N N 15 119.5 0.2 A 30 ALA H H 1 9.68 0.02 A 30 ALA HA H 1 4.69 0.02 A 30 ALA HB% H 1 1.28 0.02 A 30 ALA C C 13 174.6 0.2 A 30 ALA CA C 13 50.0 0.2 A 30 ALA CB C 13 21.2 0.2 A 30 ALA N N 15 130.4 0.2 A 31 GLU H H 1 8.85 0.02 A 31 GLU HA H 1 4.30 0.02 A 31 GLU HBx H 1 1.99 0.02 A 31 GLU HBy H 1 2.05 0.02 A 31 GLU HGx H 1 1.68 0.02 A 31 GLU HGy H 1 1.68 0.02 A 31 GLU C C 13 174.5 0.2 A 31 GLU CA C 13 54.9 0.2 A 31 GLU CB C 13 31.4 0.2 A 31 GLU CG C 13 37.6 0.2 A 31 GLU N N 15 124.7 0.2 A 32 ILE H H 1 9.20 0.02 A 32 ILE HA H 1 4.09 0.02 A 32 ILE HB H 1 1.51 0.02 A 32 ILE HD1% H 1 0.05 0.02 A 32 ILE HG1x H 1 0.42 0.02 A 32 ILE HG1y H 1 1.20 0.02 A 32 ILE HG2% H 1 0.47 0.02 A 32 ILE C C 13 175.2 0.2 A 32 ILE CA C 13 60.4 0.2 A 32 ILE CB C 13 38.6 0.2 A 32 ILE CD1 C 13 12.3 0.2 A 32 ILE CG1 C 13 26.6 0.2 A 32 ILE CG2 C 13 18.0 0.2 A 32 ILE N N 15 129.8 0.2 A 33 ARG H H 1 9.02 0.02 A 33 ARG HA H 1 4.24 0.02 A 33 ARG HBx H 1 1.64 0.02 A 33 ARG HBy H 1 1.83 0.02 A 33 ARG HDx H 1 3.11 0.02 A 33 ARG HDy H 1 3.11 0.02 A 33 ARG HE H 1 7.11 0.02 A 33 ARG HGx H 1 1.25 0.02 A 33 ARG HGy H 1 1.55 0.02 A 33 ARG C C 13 175.2 0.2 A 33 ARG CA C 13 56.8 0.2 A 33 ARG CB C 13 30.6 0.2 A 33 ARG CD C 13 43.8 0.2 A 33 ARG CG C 13 27.5 0.2 A 33 ARG CZ C 13 159.5 0.2 A 33 ARG N N 15 128.2 0.2 A 33 ARG NE N 15 84.2 0.2 A 34 CYS H H 1 8.04 0.02 A 34 CYS HA H 1 4.94 0.02 A 34 CYS HBx H 1 1.11 0.02 A 34 CYS HBy H 1 1.64 0.02 A 34 CYS C C 13 173.5 0.2 A 34 CYS CA C 13 57.4 0.2 A 34 CYS CB C 13 32.1 0.2 A 34 CYS N N 15 120.6 0.2 A 35 GLN H H 1 8.53 0.02 A 35 GLN HA H 1 4.83 0.02 A 35 GLN HBx H 1 1.69 0.02 A 35 GLN HBy H 1 1.82 0.02 A 35 GLN HE21 H 1 7.45 0.02 A 35 GLN HE22 H 1 6.69 0.02 A 35 GLN HGx H 1 1.80 0.02 A 35 GLN HGy H 1 1.99 0.02 A 35 GLN C C 13 173.8 0.2 A 35 GLN CA C 13 54.3 0.2 A 35 GLN CB C 13 32.0 0.2 A 35 GLN CD C 13 179.8 0.2 A 35 GLN CG C 13 33.4 0.2 A 35 GLN N N 15 121.1 0.2 A 35 GLN NE2 N 15 112.9 0.2 A 36 LEU H H 1 9.20 0.02 A 36 LEU HA H 1 4.76 0.02 A 36 LEU HBx H 1 1.24 0.02 A 36 LEU HBy H 1 1.59 0.02 A 36 LEU HD1% H 1 0.16 0.02 A 36 LEU HD2% H 1 0.22 0.02 A 36 LEU HG H 1 1.25 0.02 A 36 LEU C C 13 175.8 0.2 A 36 LEU CA C 13 54.8 0.2 A 36 LEU CB C 13 43.8 0.2 A 36 LEU CD1 C 13 24.8 0.2 A 36 LEU CD2 C 13 25.2 0.2 A 36 LEU CG C 13 27.5 0.2 A 36 LEU N N 15 128.7 0.2 A 37 HIS H H 1 9.30 0.02 A 37 HIS HA H 1 4.88 0.02 A 37 HIS HBx H 1 3.07 0.02 A 37 HIS HBy H 1 3.17 0.02 A 37 HIS C C 13 173.3 0.2 A 37 HIS CA C 13 54.9 0.2 A 37 HIS CB C 13 30.4 0.2 A 37 HIS N N 15 125.1 0.2 A 38 ARG H H 1 8.58 0.02 A 38 ARG HA H 1 4.73 0.02 A 38 ARG HBx H 1 1.90 0.02 A 38 ARG HBy H 1 1.90 0.02 A 38 ARG HDx H 1 3.16 0.02 A 38 ARG HDy H 1 3.16 0.02 A 38 ARG HE H 1 7.35 0.02 A 38 ARG HGx H 1 1.54 0.02 A 38 ARG HGy H 1 1.63 0.02 A 38 ARG C C 13 175.1 0.2 A 38 ARG CA C 13 55.2 0.2 A 38 ARG CB C 13 32.6 0.2 A 38 ARG CD C 13 43.8 0.2 A 38 ARG CG C 13 26.8 0.2 A 38 ARG CZ C 13 159.6 0.2 A 38 ARG N N 15 122.0 0.2 A 38 ARG NE N 15 85.2 0.2 A 39 ASP H H 1 8.69 0.02 A 39 ASP HA H 1 4.67 0.02 A 39 ASP HBx H 1 2.65 0.02 A 39 ASP HBy H 1 2.82 0.02 A 39 ASP C C 13 176.5 0.2 A 39 ASP CA C 13 54.6 0.2 A 39 ASP CB C 13 41.7 0.2 A 39 ASP N N 15 123.0 0.2 A 40 GLY H H 1 8.31 0.02 A 40 GLY HAx H 1 3.81 0.02 A 40 GLY HAy H 1 3.81 0.02 A 40 GLY C C 13 174.0 0.2 A 40 GLY CA C 13 45.4 0.2 A 40 GLY N N 15 110.0 0.2 A 41 ARG H H 1 8.22 0.02 A 41 ARG HA H 1 4.20 0.02 A 41 ARG HBx H 1 1.59 0.02 A 41 ARG HBy H 1 1.59 0.02 A 41 ARG HDx H 1 3.06 0.02 A 41 ARG HDy H 1 3.11 0.02 A 41 ARG HE H 1 7.47 0.02 A 41 ARG HGx H 1 1.45 0.02 A 41 ARG HGy H 1 1.45 0.02 A 41 ARG C C 13 176.1 0.2 A 41 ARG CA C 13 56.5 0.2 A 41 ARG CB C 13 30.5 0.2 A 41 ARG CD C 13 43.4 0.2 A 41 ARG CG C 13 26.9 0.2 A 41 ARG CZ C 13 159.6 0.2 A 41 ARG N N 15 119.7 0.2 A 41 ARG NE N 15 84.7 0.2 A 42 PHE H H 1 8.09 0.02 A 42 PHE HA H 1 4.70 0.02 A 42 PHE HBx H 1 3.02 0.02 A 42 PHE HBy H 1 3.20 0.02 A 42 PHE HDx H 1 7.27 0.02 A 42 PHE HDy H 1 7.27 0.02 A 42 PHE C C 13 176.2 0.2 A 42 PHE CA C 13 57.6 0.2 A 42 PHE CB C 13 39.4 0.2 A 42 PHE CDx C 13 131.8 0.2 A 42 PHE CDy C 13 131.8 0.2 A 42 PHE N N 15 120.9 0.2 A 43 GLU H H 1 8.50 0.02 A 43 GLU HA H 1 4.21 0.02 A 43 GLU HBx H 1 1.98 0.02 A 43 GLU HBy H 1 2.06 0.02 A 43 GLU HGx H 1 2.29 0.02 A 43 GLU HGy H 1 2.29 0.02 A 43 GLU C C 13 176.5 0.2 A 43 GLU CA C 13 57.4 0.2 A 43 GLU CB C 13 30.2 0.2 A 43 GLU CG C 13 35.8 0.2 A 43 GLU N N 15 122.4 0.2 A 44 GLU H H 1 8.40 0.02 A 44 GLU HA H 1 4.24 0.02 A 44 GLU HBx H 1 1.95 0.02 A 44 GLU HBy H 1 2.11 0.02 A 44 GLU HGx H 1 2.24 0.02 A 44 GLU HGy H 1 2.24 0.02 A 44 GLU C C 13 176.0 0.2 A 44 GLU CA C 13 57.0 0.2 A 44 GLU CB C 13 29.5 0.2 A 44 GLU CG C 13 36.5 0.2 A 44 GLU N N 15 119.4 0.2 A 45 THR H H 1 7.77 0.02 A 45 THR HA H 1 3.99 0.02 A 45 THR HB H 1 3.98 0.02 A 45 THR HG2% H 1 0.98 0.02 A 45 THR C C 13 172.5 0.2 A 45 THR CA C 13 62.7 0.2 A 45 THR CB C 13 69.9 0.2 A 45 THR CG2 C 13 21.7 0.2 A 45 THR N N 15 117.7 0.2 A 46 LYS H H 1 7.86 0.02 A 46 LYS HA H 1 4.34 0.02 A 46 LYS HBx H 1 1.47 0.02 A 46 LYS HBy H 1 1.65 0.02 A 46 LYS HDx H 1 1.63 0.02 A 46 LYS HDy H 1 1.63 0.02 A 46 LYS HEx H 1 2.97 0.02 A 46 LYS HEy H 1 2.97 0.02 A 46 LYS HGx H 1 1.28 0.02 A 46 LYS HGy H 1 1.39 0.02 A 46 LYS C C 13 173.8 0.2 A 46 LYS CA C 13 54.4 0.2 A 46 LYS CB C 13 34.8 0.2 A 46 LYS CD C 13 28.7 0.2 A 46 LYS CE C 13 42.3 0.2 A 46 LYS CG C 13 24.7 0.2 A 46 LYS N N 15 124.7 0.2 A 47 TYR H H 1 7.85 0.02 A 47 TYR HA H 1 5.07 0.02 A 47 TYR HBx H 1 2.44 0.02 A 47 TYR HBy H 1 2.58 0.02 A 47 TYR HDx H 1 6.41 0.02 A 47 TYR HDy H 1 6.41 0.02 A 47 TYR HEx H 1 6.09 0.02 A 47 TYR HEy H 1 6.09 0.02 A 47 TYR C C 13 175.0 0.2 A 47 TYR CA C 13 57.2 0.2 A 47 TYR CB C 13 43.2 0.2 A 47 TYR CDx C 13 132.7 0.2 A 47 TYR CDy C 13 132.7 0.2 A 47 TYR CEx C 13 118.5 0.2 A 47 TYR CEy C 13 118.5 0.2 A 47 TYR N N 15 116.1 0.2 A 48 PHE H H 1 9.33 0.02 A 48 PHE HA H 1 5.41 0.02 A 48 PHE HBx H 1 2.60 0.02 A 48 PHE HBy H 1 3.02 0.02 A 48 PHE HDx H 1 6.86 0.02 A 48 PHE HDy H 1 6.86 0.02 A 48 PHE C C 13 173.7 0.2 A 48 PHE CA C 13 56.6 0.2 A 48 PHE CB C 13 44.8 0.2 A 48 PHE CDx C 13 131.8 0.2 A 48 PHE CDy C 13 131.8 0.2 A 48 PHE N N 15 119.4 0.2 A 49 ILE H H 1 9.72 0.02 A 49 ILE HA H 1 5.60 0.02 A 49 ILE HB H 1 1.59 0.02 A 49 ILE HD1% H 1 0.76 0.02 A 49 ILE HG1x H 1 0.80 0.02 A 49 ILE HG1y H 1 1.26 0.02 A 49 ILE HG2% H 1 0.92 0.02 A 49 ILE C C 13 172.8 0.2 A 49 ILE CA C 13 58.3 0.2 A 49 ILE CB C 13 42.6 0.2 A 49 ILE CD1 C 13 15.7 0.2 A 49 ILE CG1 C 13 28.3 0.2 A 49 ILE CG2 C 13 15.8 0.2 A 49 ILE N N 15 119.6 0.2 A 50 ARG H H 1 8.71 0.02 A 50 ARG HA H 1 5.21 0.02 A 50 ARG HBx H 1 1.65 0.02 A 50 ARG HBy H 1 1.84 0.02 A 50 ARG HDx H 1 2.74 0.02 A 50 ARG HDy H 1 3.05 0.02 A 50 ARG HE H 1 7.15 0.02 A 50 ARG HGx H 1 1.40 0.02 A 50 ARG HGy H 1 1.40 0.02 A 50 ARG C C 13 173.9 0.2 A 50 ARG CA C 13 54.8 0.2 A 50 ARG CB C 13 35.4 0.2 A 50 ARG CD C 13 43.7 0.2 A 50 ARG CG C 13 27.1 0.2 A 50 ARG CZ C 13 159.0 0.2 A 50 ARG N N 15 122.1 0.2 A 50 ARG NE N 15 83.6 0.2 A 51 TYR H H 1 10.50 0.02 A 51 TYR HA H 1 6.13 0.02 A 51 TYR HBx H 1 2.58 0.02 A 51 TYR HBy H 1 3.51 0.02 A 51 TYR C C 13 172.7 0.2 A 51 TYR CA C 13 54.9 0.2 A 51 TYR CB C 13 43.8 0.2 A 51 TYR N N 15 124.8 0.2 A 52 PHE H H 1 9.45 0.02 A 52 PHE HA H 1 4.03 0.02 A 52 PHE HBx H 1 3.19 0.02 A 52 PHE HBy H 1 3.19 0.02 A 52 PHE HDx H 1 7.21 0.02 A 52 PHE HDy H 1 7.21 0.02 A 52 PHE C C 13 172.3 0.2 A 52 PHE CA C 13 58.4 0.2 A 52 PHE CB C 13 43.7 0.2 A 52 PHE CDx C 13 132.2 0.2 A 52 PHE CDy C 13 132.2 0.2 A 52 PHE N N 15 122.2 0.2 A 53 GLN H H 1 7.86 0.02 A 53 GLN HA H 1 5.51 0.02 A 53 GLN HBx H 1 1.95 0.02 A 53 GLN HBy H 1 2.13 0.02 A 53 GLN HE21 H 1 7.33 0.02 A 53 GLN HE22 H 1 6.66 0.02 A 53 GLN HGx H 1 2.34 0.02 A 53 GLN HGy H 1 2.62 0.02 A 53 GLN CA C 13 52.4 0.2 A 53 GLN CB C 13 28.5 0.2 A 53 GLN CD C 13 180.1 0.2 A 53 GLN CG C 13 32.4 0.2 A 53 GLN N N 15 125.9 0.2 A 53 GLN NE2 N 15 104.8 0.2 A 54 PRO HA H 1 4.40 0.02 A 54 PRO HBx H 1 2.01 0.02 A 54 PRO HBy H 1 2.48 0.02 A 54 PRO HDx H 1 3.58 0.02 A 54 PRO HDy H 1 4.09 0.02 A 54 PRO HGx H 1 1.96 0.02 A 54 PRO HGy H 1 2.20 0.02 A 54 PRO C C 13 176.1 0.2 A 54 PRO CA C 13 64.4 0.2 A 54 PRO CB C 13 32.8 0.2 A 54 PRO CD C 13 51.4 0.2 A 54 PRO CG C 13 27.1 0.2 A 55 ASP H H 1 6.96 0.02 A 55 ASP HA H 1 5.24 0.02 A 55 ASP HBx H 1 2.53 0.02 A 55 ASP HBy H 1 2.63 0.02 A 55 ASP C C 13 176.2 0.2 A 55 ASP CA C 13 53.4 0.2 A 55 ASP CB C 13 43.9 0.2 A 55 ASP N N 15 111.8 0.2 A 56 GLY H H 1 8.97 0.02 A 56 GLY HAx H 1 3.99 0.02 A 56 GLY HAy H 1 4.09 0.02 A 56 GLY C C 13 171.7 0.2 A 56 GLY CA C 13 45.1 0.2 A 56 GLY N N 15 112.7 0.2 A 57 ALA H H 1 7.60 0.02 A 57 ALA HA H 1 4.68 0.02 A 57 ALA HB% H 1 1.31 0.02 A 57 ALA C C 13 175.0 0.2 A 57 ALA CA C 13 51.5 0.2 A 57 ALA CB C 13 22.0 0.2 A 57 ALA N N 15 120.1 0.2 A 58 GLY H H 1 7.72 0.02 A 58 GLY HAx H 1 4.05 0.02 A 58 GLY HAy H 1 4.41 0.02 A 58 GLY C C 13 172.5 0.2 A 58 GLY CA C 13 45.6 0.2 A 58 GLY N N 15 107.9 0.2 A 59 THR H H 1 7.90 0.02 A 59 THR HA H 1 4.63 0.02 A 59 THR HB H 1 3.68 0.02 A 59 THR HG2% H 1 1.15 0.02 A 59 THR C C 13 171.2 0.2 A 59 THR CA C 13 61.0 0.2 A 59 THR CB C 13 72.1 0.2 A 59 THR CG2 C 13 22.1 0.2 A 59 THR N N 15 114.3 0.2 A 60 LEU H H 1 9.58 0.02 A 60 LEU HA H 1 5.25 0.02 A 60 LEU HBx H 1 0.53 0.02 A 60 LEU HBy H 1 1.33 0.02 A 60 LEU HD1% H 1 0.77 0.02 A 60 LEU HD2% H 1 0.29 0.02 A 60 LEU HG H 1 1.22 0.02 A 60 LEU C C 13 173.5 0.2 A 60 LEU CA C 13 53.2 0.2 A 60 LEU CB C 13 45.4 0.2 A 60 LEU CD1 C 13 24.2 0.2 A 60 LEU CD2 C 13 26.6 0.2 A 60 LEU CG C 13 26.9 0.2 A 60 LEU N N 15 129.7 0.2 A 61 LYS H H 1 8.92 0.02 A 61 LYS HA H 1 5.40 0.02 A 61 LYS HBx H 1 1.57 0.02 A 61 LYS HBy H 1 1.77 0.02 A 61 LYS HDx H 1 1.50 0.02 A 61 LYS HDy H 1 1.50 0.02 A 61 LYS HEx H 1 2.71 0.02 A 61 LYS HEy H 1 2.71 0.02 A 61 LYS HGx H 1 1.27 0.02 A 61 LYS HGy H 1 1.41 0.02 A 61 LYS C C 13 175.8 0.2 A 61 LYS CA C 13 53.9 0.2 A 61 LYS CB C 13 37.8 0.2 A 61 LYS CD C 13 29.5 0.2 A 61 LYS CE C 13 41.7 0.2 A 61 LYS CG C 13 25.0 0.2 A 61 LYS N N 15 124.0 0.2 A 62 MET H H 1 8.67 0.02 A 62 MET HA H 1 5.25 0.02 A 62 MET HBx H 1 2.22 0.02 A 62 MET HBy H 1 2.51 0.02 A 62 MET HE% H 1 2.02 0.02 A 62 MET HGx H 1 2.51 0.02 A 62 MET HGy H 1 2.60 0.02 A 62 MET C C 13 178.5 0.2 A 62 MET CA C 13 54.6 0.2 A 62 MET CB C 13 36.4 0.2 A 62 MET CE C 13 16.7 0.2 A 62 MET CG C 13 32.4 0.2 A 62 MET N N 15 118.9 0.2 A 63 SER H H 1 9.00 0.02 A 63 SER HA H 1 4.26 0.02 A 63 SER HBx H 1 4.10 0.02 A 63 SER HBy H 1 4.38 0.02 A 63 SER C C 13 174.1 0.2 A 63 SER CA C 13 61.3 0.2 A 63 SER CB C 13 62.3 0.2 A 63 SER N N 15 116.3 0.2 A 64 ASP H H 1 7.82 0.02 A 64 ASP HA H 1 4.67 0.02 A 64 ASP HBx H 1 2.58 0.02 A 64 ASP HBy H 1 3.14 0.02 A 64 ASP C C 13 176.6 0.2 A 64 ASP CA C 13 53.6 0.2 A 64 ASP CB C 13 40.0 0.2 A 64 ASP N N 15 119.4 0.2 A 65 GLY H H 1 8.16 0.02 A 65 GLY HAx H 1 3.53 0.02 A 65 GLY HAy H 1 4.40 0.02 A 65 GLY C C 13 174.3 0.2 A 65 GLY CA C 13 44.6 0.2 A 65 GLY N N 15 108.2 0.2 A 66 THR H H 1 8.02 0.02 A 66 THR HA H 1 3.86 0.02 A 66 THR HB H 1 3.94 0.02 A 66 THR HG2% H 1 0.94 0.02 A 66 THR C C 13 173.6 0.2 A 66 THR CA C 13 64.8 0.2 A 66 THR CB C 13 69.1 0.2 A 66 THR CG2 C 13 21.3 0.2 A 66 THR N N 15 119.0 0.2 A 67 VAL H H 1 8.65 0.02 A 67 VAL HA H 1 4.05 0.02 A 67 VAL HB H 1 2.03 0.02 A 67 VAL HG1% H 1 0.94 0.02 A 67 VAL HG2% H 1 0.97 0.02 A 67 VAL C C 13 175.2 0.2 A 67 VAL CA C 13 62.7 0.2 A 67 VAL CB C 13 32.0 0.2 A 67 VAL CG1 C 13 21.3 0.2 A 67 VAL CG2 C 13 21.6 0.2 A 67 VAL N N 15 129.6 0.2 A 68 LEU H H 1 8.47 0.02 A 68 LEU HA H 1 4.01 0.02 A 68 LEU HBx H 1 1.65 0.02 A 68 LEU HBy H 1 1.65 0.02 A 68 LEU HD1% H 1 0.61 0.02 A 68 LEU HD2% H 1 0.47 0.02 A 68 LEU HG H 1 1.05 0.02 A 68 LEU C C 13 176.1 0.2 A 68 LEU CA C 13 56.8 0.2 A 68 LEU CB C 13 41.8 0.2 A 68 LEU CD1 C 13 25.3 0.2 A 68 LEU CD2 C 13 24.4 0.2 A 68 LEU CG C 13 29.2 0.2 A 68 LEU N N 15 128.1 0.2 A 69 LEU H H 1 8.69 0.02 A 69 LEU HA H 1 5.15 0.02 A 69 LEU HBx H 1 1.65 0.02 A 69 LEU HBy H 1 2.03 0.02 A 69 LEU HD1% H 1 1.10 0.02 A 69 LEU HD2% H 1 1.04 0.02 A 69 LEU HG H 1 1.91 0.02 A 69 LEU CA C 13 52.1 0.2 A 69 LEU CB C 13 41.1 0.2 A 69 LEU CD1 C 13 25.4 0.2 A 69 LEU CD2 C 13 23.2 0.2 A 69 LEU CG C 13 27.4 0.2 A 69 LEU N N 15 123.4 0.2 A 70 PRO HA H 1 3.82 0.02 A 70 PRO HBx H 1 1.90 0.02 A 70 PRO HBy H 1 1.97 0.02 A 70 PRO HDx H 1 3.78 0.02 A 70 PRO HDy H 1 4.14 0.02 A 70 PRO HGx H 1 1.91 0.02 A 70 PRO HGy H 1 2.14 0.02 A 70 PRO C C 13 177.2 0.2 A 70 PRO CA C 13 63.8 0.2 A 70 PRO CB C 13 32.2 0.2 A 70 PRO CD C 13 50.5 0.2 A 70 PRO CG C 13 27.6 0.2 A 71 ASN H H 1 8.93 0.02 A 71 ASN HA H 1 4.24 0.02 A 71 ASN HBx H 1 2.93 0.02 A 71 ASN HBy H 1 3.27 0.02 A 71 ASN HD2y H 1 7.64 0.02 A 71 ASN HD2x H 1 6.56 0.02 A 71 ASN C C 13 174.2 0.2 A 71 ASN CA C 13 56.4 0.2 A 71 ASN CB C 13 38.2 0.2 A 71 ASN CG C 13 177.0 0.2 A 71 ASN N N 15 114.9 0.2 A 71 ASN ND2 N 15 112.7 0.2 A 72 ASP H H 1 7.63 0.02 A 72 ASP HA H 1 4.67 0.02 A 72 ASP HBx H 1 2.35 0.02 A 72 ASP HBy H 1 2.81 0.02 A 72 ASP C C 13 174.3 0.2 A 72 ASP CA C 13 54.4 0.2 A 72 ASP CB C 13 41.5 0.2 A 72 ASP N N 15 122.9 0.2 A 73 LEU H H 1 8.03 0.02 A 73 LEU HA H 1 4.90 0.02 A 73 LEU HBx H 1 1.34 0.02 A 73 LEU HBy H 1 1.34 0.02 A 73 LEU HD1% H 1 0.63 0.02 A 73 LEU HD2% H 1 0.48 0.02 A 73 LEU HG H 1 1.40 0.02 A 73 LEU C C 13 177.3 0.2 A 73 LEU CA C 13 54.4 0.2 A 73 LEU CB C 13 44.6 0.2 A 73 LEU CD1 C 13 24.9 0.2 A 73 LEU CD2 C 13 24.7 0.2 A 73 LEU CG C 13 27.3 0.2 A 73 LEU N N 15 120.8 0.2 A 74 TYR H H 1 9.50 0.02 A 74 TYR HA H 1 5.07 0.02 A 74 TYR HBx H 1 2.75 0.02 A 74 TYR HBy H 1 3.01 0.02 A 74 TYR HDx H 1 7.35 0.02 A 74 TYR HDy H 1 7.35 0.02 A 74 TYR HEx H 1 7.05 0.02 A 74 TYR HEy H 1 7.05 0.02 A 74 TYR CA C 13 55.7 0.2 A 74 TYR CB C 13 40.1 0.2 A 74 TYR CDx C 13 134.3 0.2 A 74 TYR CDy C 13 134.3 0.2 A 74 TYR CEx C 13 119.3 0.2 A 74 TYR CEy C 13 119.3 0.2 A 74 TYR N N 15 123.7 0.2 A 75 PRO HA H 1 4.49 0.02 A 75 PRO HBx H 1 1.81 0.02 A 75 PRO HBy H 1 2.19 0.02 A 75 PRO HDx H 1 3.89 0.02 A 75 PRO HDy H 1 4.03 0.02 A 75 PRO HGx H 1 2.13 0.02 A 75 PRO HGy H 1 2.22 0.02 A 75 PRO C C 13 176.7 0.2 A 75 PRO CA C 13 62.4 0.2 A 75 PRO CB C 13 32.1 0.2 A 75 PRO CD C 13 50.5 0.2 A 75 PRO CG C 13 27.4 0.2 A 76 LEU H H 1 7.98 0.02 A 76 LEU HA H 1 4.25 0.02 A 76 LEU HBx H 1 1.17 0.02 A 76 LEU HBy H 1 1.25 0.02 A 76 LEU HD1% H 1 0.60 0.02 A 76 LEU HD2% H 1 0.39 0.02 A 76 LEU HG H 1 1.23 0.02 A 76 LEU CA C 13 52.5 0.2 A 76 LEU CB C 13 42.2 0.2 A 76 LEU CD1 C 13 25.3 0.2 A 76 LEU CD2 C 13 23.9 0.2 A 76 LEU CG C 13 27.0 0.2 A 76 LEU N N 15 122.8 0.2 A 77 PRO HA H 1 4.49 0.02 A 77 PRO HBx H 1 2.10 0.02 A 77 PRO HBy H 1 2.31 0.02 A 77 PRO HDx H 1 3.00 0.02 A 77 PRO HDy H 1 3.72 0.02 A 77 PRO HGx H 1 1.99 0.02 A 77 PRO HGy H 1 2.07 0.02 A 77 PRO C C 13 175.7 0.2 A 77 PRO CA C 13 63.7 0.2 A 77 PRO CB C 13 31.7 0.2 A 77 PRO CD C 13 50.4 0.2 A 77 PRO CG C 13 27.3 0.2 A 78 GLY H H 1 6.88 0.02 A 78 GLY HAx H 1 3.96 0.02 A 78 GLY HAy H 1 4.20 0.02 A 78 GLY C C 13 171.3 0.2 A 78 GLY CA C 13 44.6 0.2 A 78 GLY N N 15 104.4 0.2 A 79 GLU H H 1 8.40 0.02 A 79 GLU HA H 1 4.08 0.02 A 79 GLU HBx H 1 2.04 0.02 A 79 GLU HBy H 1 2.18 0.02 A 79 GLU HGx H 1 2.20 0.02 A 79 GLU HGy H 1 2.35 0.02 A 79 GLU C C 13 175.6 0.2 A 79 GLU CA C 13 58.2 0.2 A 79 GLU CB C 13 30.0 0.2 A 79 GLU CG C 13 37.2 0.2 A 79 GLU N N 15 115.7 0.2 A 80 THR H H 1 7.68 0.02 A 80 THR HA H 1 4.79 0.02 A 80 THR HB H 1 3.97 0.02 A 80 THR HG2% H 1 1.20 0.02 A 80 THR C C 13 173.5 0.2 A 80 THR CA C 13 61.1 0.2 A 80 THR CB C 13 70.2 0.2 A 80 THR CG2 C 13 22.0 0.2 A 80 THR N N 15 112.5 0.2 A 81 PHE H H 1 7.92 0.02 A 81 PHE HA H 1 4.92 0.02 A 81 PHE HBx H 1 2.94 0.02 A 81 PHE HBy H 1 3.19 0.02 A 81 PHE HDx H 1 6.82 0.02 A 81 PHE HDy H 1 6.82 0.02 A 81 PHE HEx H 1 7.07 0.02 A 81 PHE HEy H 1 7.07 0.02 A 81 PHE C C 13 172.0 0.2 A 81 PHE CA C 13 56.0 0.2 A 81 PHE CB C 13 39.7 0.2 A 81 PHE CDx C 13 132.6 0.2 A 81 PHE CDy C 13 132.6 0.2 A 81 PHE N N 15 120.4 0.2 A 82 ARG H H 1 8.45 0.02 A 82 ARG HA H 1 5.28 0.02 A 82 ARG HBx H 1 1.25 0.02 A 82 ARG HBy H 1 1.54 0.02 A 82 ARG HDx H 1 3.07 0.02 A 82 ARG HDy H 1 3.07 0.02 A 82 ARG HGx H 1 1.42 0.02 A 82 ARG HGy H 1 1.62 0.02 A 82 ARG C C 13 174.3 0.2 A 82 ARG CA C 13 54.1 0.2 A 82 ARG CB C 13 33.8 0.2 A 82 ARG CD C 13 43.6 0.2 A 82 ARG CG C 13 27.8 0.2 A 82 ARG N N 15 117.3 0.2 A 83 LEU H H 1 8.73 0.02 A 83 LEU HA H 1 5.06 0.02 A 83 LEU HBx H 1 1.29 0.02 A 83 LEU HBy H 1 1.53 0.02 A 83 LEU HD1% H 1 0.97 0.02 A 83 LEU HD2% H 1 0.97 0.02 A 83 LEU HG H 1 1.81 0.02 A 83 LEU C C 13 174.4 0.2 A 83 LEU CA C 13 52.2 0.2 A 83 LEU CB C 13 45.8 0.2 A 83 LEU CD1 C 13 25.8 0.2 A 83 LEU CD2 C 13 23.4 0.2 A 83 LEU CG C 13 27.0 0.2 A 83 LEU N N 15 120.0 0.2 A 84 TYR H H 1 9.07 0.02 A 84 TYR HA H 1 5.10 0.02 A 84 TYR HBx H 1 2.53 0.02 A 84 TYR HBy H 1 2.53 0.02 A 84 TYR HDx H 1 6.71 0.02 A 84 TYR HDy H 1 6.71 0.02 A 84 TYR HEx H 1 6.59 0.02 A 84 TYR HEy H 1 6.59 0.02 A 84 TYR C C 13 175.3 0.2 A 84 TYR CA C 13 56.6 0.2 A 84 TYR CB C 13 40.4 0.2 A 84 TYR CDx C 13 132.6 0.2 A 84 TYR CDy C 13 132.6 0.2 A 84 TYR CEx C 13 118.2 0.2 A 84 TYR CEy C 13 118.2 0.2 A 84 TYR N N 15 118.0 0.2 A 85 TYR H H 1 9.01 0.02 A 85 TYR HA H 1 5.51 0.02 A 85 TYR HBx H 1 2.44 0.02 A 85 TYR HBy H 1 2.54 0.02 A 85 TYR HDx H 1 6.28 0.02 A 85 TYR HDy H 1 6.28 0.02 A 85 TYR HEx H 1 6.47 0.02 A 85 TYR HEy H 1 6.47 0.02 A 85 TYR C C 13 173.4 0.2 A 85 TYR CA C 13 56.0 0.2 A 85 TYR CB C 13 40.6 0.2 A 85 TYR CDx C 13 133.1 0.2 A 85 TYR CDy C 13 133.1 0.2 A 85 TYR CEx C 13 117.2 0.2 A 85 TYR CEy C 13 117.2 0.2 A 85 TYR N N 15 127.1 0.2 A 86 THR H H 1 8.59 0.02 A 86 THR HA H 1 4.71 0.02 A 86 THR HB H 1 3.43 0.02 A 86 THR HG2% H 1 0.84 0.02 A 86 THR C C 13 172.4 0.2 A 86 THR CA C 13 60.8 0.2 A 86 THR CB C 13 70.1 0.2 A 86 THR CG2 C 13 20.8 0.2 A 86 THR N N 15 125.1 0.2 A 87 SER H H 1 7.91 0.02 A 87 SER HA H 1 4.34 0.02 A 87 SER HBx H 1 3.96 0.02 A 87 SER HBy H 1 3.96 0.02 A 87 SER C C 13 176.2 0.2 A 87 SER CA C 13 57.6 0.2 A 87 SER CB C 13 64.0 0.2 A 87 SER N N 15 121.6 0.2 A 88 ALA H H 1 8.56 0.02 A 88 ALA HA H 1 4.73 0.02 A 88 ALA HB% H 1 1.26 0.02 A 88 ALA C C 13 175.9 0.2 A 88 ALA CA C 13 51.2 0.2 A 88 ALA CB C 13 19.9 0.2 A 88 ALA N N 15 130.9 0.2 A 89 SER H H 1 8.03 0.02 A 89 SER HA H 1 4.77 0.02 A 89 SER HBx H 1 3.79 0.02 A 89 SER HBy H 1 4.12 0.02 A 89 SER C C 13 172.4 0.2 A 89 SER CA C 13 57.9 0.2 A 89 SER CB C 13 65.3 0.2 A 89 SER N N 15 113.4 0.2 A 90 THR H H 1 8.29 0.02 A 90 THR HA H 1 4.39 0.02 A 90 THR HB H 1 4.49 0.02 A 90 THR HG2% H 1 1.23 0.02 A 90 THR C C 13 174.8 0.2 A 90 THR CA C 13 61.9 0.2 A 90 THR CB C 13 69.0 0.2 A 90 THR CG2 C 13 22.2 0.2 A 90 THR N N 15 108.8 0.2 A 91 ASP H H 1 8.22 0.02 A 91 ASP HA H 1 4.83 0.02 A 91 ASP HBx H 1 2.69 0.02 A 91 ASP HBy H 1 2.97 0.02 A 91 ASP C C 13 175.2 0.2 A 91 ASP CA C 13 53.6 0.2 A 91 ASP CB C 13 42.2 0.2 A 91 ASP N N 15 121.8 0.2 A 92 GLN H H 1 8.40 0.02 A 92 GLN HA H 1 4.38 0.02 A 92 GLN HBx H 1 1.98 0.02 A 92 GLN HBy H 1 2.14 0.02 A 92 GLN HE21 H 1 7.24 0.02 A 92 GLN HE22 H 1 6.77 0.02 A 92 GLN HGx H 1 2.22 0.02 A 92 GLN HGy H 1 2.22 0.02 A 92 GLN C C 13 175.9 0.2 A 92 GLN CA C 13 57.7 0.2 A 92 GLN CB C 13 28.8 0.2 A 92 GLN CD C 13 179.5 0.2 A 92 GLN CG C 13 33.7 0.2 A 92 GLN N N 15 120.4 0.2 A 92 GLN NE2 N 15 111.9 0.2 A 93 GLN H H 1 8.56 0.02 A 93 GLN C C 13 174.0 0.2 A 93 GLN CA C 13 53.5 0.2 A 93 GLN CB C 13 34.1 0.2 A 93 GLN N N 15 124.1 0.2 A 94 THR H H 1 8.42 0.02 A 94 THR HA H 1 5.05 0.02 A 94 THR HB H 1 3.90 0.02 A 94 THR HG2% H 1 1.08 0.02 A 94 THR C C 13 172.7 0.2 A 94 THR CA C 13 61.5 0.2 A 94 THR CB C 13 71.0 0.2 A 94 THR CG2 C 13 23.0 0.2 A 94 THR N N 15 120.8 0.2 A 95 VAL H H 1 9.12 0.02 A 95 VAL HA H 1 4.49 0.02 A 95 VAL HB H 1 1.96 0.02 A 95 VAL HG1% H 1 0.86 0.02 A 95 VAL HG2% H 1 0.52 0.02 A 95 VAL C C 13 173.5 0.2 A 95 VAL CA C 13 61.3 0.2 A 95 VAL CB C 13 34.8 0.2 A 95 VAL CG1 C 13 22.1 0.2 A 95 VAL CG2 C 13 20.1 0.2 A 95 VAL N N 15 124.3 0.2 A 96 ASP H H 1 9.17 0.02 A 96 ASP HA H 1 5.33 0.02 A 96 ASP HBx H 1 2.20 0.02 A 96 ASP HBy H 1 2.84 0.02 A 96 ASP C C 13 174.5 0.2 A 96 ASP CA C 13 53.7 0.2 A 96 ASP CB C 13 43.4 0.2 A 96 ASP N N 15 127.6 0.2 A 97 VAL H H 1 9.20 0.02 A 97 VAL HA H 1 4.54 0.02 A 97 VAL HB H 1 2.02 0.02 A 97 VAL HG1% H 1 0.63 0.02 A 97 VAL HG2% H 1 0.95 0.02 A 97 VAL C C 13 173.2 0.2 A 97 VAL CA C 13 61.5 0.2 A 97 VAL CB C 13 33.4 0.2 A 97 VAL CG1 C 13 24.0 0.2 A 97 VAL CG2 C 13 21.9 0.2 A 97 VAL N N 15 122.5 0.2 A 98 TYR H H 1 9.41 0.02 A 98 TYR HA H 1 5.11 0.02 A 98 TYR HBx H 1 2.76 0.02 A 98 TYR HBy H 1 2.88 0.02 A 98 TYR HDx H 1 6.95 0.02 A 98 TYR HDy H 1 6.95 0.02 A 98 TYR HEx H 1 6.68 0.02 A 98 TYR HEy H 1 6.68 0.02 A 98 TYR C C 13 174.2 0.2 A 98 TYR CA C 13 56.5 0.2 A 98 TYR CB C 13 39.9 0.2 A 98 TYR CDx C 13 133.0 0.2 A 98 TYR CDy C 13 133.0 0.2 A 98 TYR CEx C 13 118.2 0.2 A 98 TYR CEy C 13 118.2 0.2 A 98 TYR N N 15 125.0 0.2 A 99 PHE H H 1 9.34 0.02 A 99 PHE HA H 1 5.82 0.02 A 99 PHE HBx H 1 3.11 0.02 A 99 PHE HBy H 1 3.21 0.02 A 99 PHE HDx H 1 7.27 0.02 A 99 PHE HDy H 1 7.27 0.02 A 99 PHE HEx H 1 7.12 0.02 A 99 PHE HEy H 1 7.12 0.02 A 99 PHE HZ H 1 7.24 0.02 A 99 PHE C C 13 175.0 0.2 A 99 PHE CA C 13 56.0 0.2 A 99 PHE CB C 13 42.7 0.2 A 99 PHE CDx C 13 131.0 0.2 A 99 PHE CDy C 13 131.0 0.2 A 99 PHE CEx C 13 130.4 0.2 A 99 PHE CEy C 13 130.4 0.2 A 99 PHE CZ C 13 128.6 0.2 A 99 PHE N N 15 119.7 0.2 A 100 GLN H H 1 9.29 0.02 A 100 GLN HA H 1 6.34 0.02 A 100 GLN HBx H 1 2.20 0.02 A 100 GLN HBy H 1 2.55 0.02 A 100 GLN HE2y H 1 7.40 0.02 A 100 GLN HE2x H 1 6.70 0.02 A 100 GLN HGx H 1 2.04 0.02 A 100 GLN HGy H 1 2.19 0.02 A 100 GLN C C 13 175.3 0.2 A 100 GLN CA C 13 53.5 0.2 A 100 GLN CB C 13 34.2 0.2 A 100 GLN CD C 13 179.4 0.2 A 100 GLN CG C 13 34.6 0.2 A 100 GLN N N 15 121.0 0.2 A 100 GLN NE2 N 15 111.1 0.2 A 101 ASP H H 1 8.48 0.02 A 101 ASP HA H 1 5.57 0.02 A 101 ASP HBx H 1 2.45 0.02 A 101 ASP HBy H 1 2.70 0.02 A 101 ASP C C 13 179.9 0.2 A 101 ASP CA C 13 51.7 0.2 A 101 ASP CB C 13 44.0 0.2 A 101 ASP N N 15 122.1 0.2 A 102 SER H H 1 7.82 0.02 A 102 SER HA H 1 4.15 0.02 A 102 SER HBx H 1 3.65 0.02 A 102 SER HBy H 1 3.65 0.02 A 102 SER C C 13 174.3 0.2 A 102 SER CA C 13 60.4 0.2 A 102 SER CB C 13 62.7 0.2 A 102 SER N N 15 112.2 0.2 A 103 PHE H H 1 8.15 0.02 A 103 PHE HA H 1 4.68 0.02 A 103 PHE HBx H 1 3.20 0.02 A 103 PHE HBy H 1 3.49 0.02 A 103 PHE HDx H 1 7.27 0.02 A 103 PHE HDy H 1 7.27 0.02 A 103 PHE C C 13 176.2 0.2 A 103 PHE CA C 13 57.9 0.2 A 103 PHE CB C 13 39.2 0.2 A 103 PHE CDx C 13 131.8 0.2 A 103 PHE CDy C 13 131.8 0.2 A 103 PHE N N 15 119.8 0.2 A 104 GLY H H 1 8.10 0.02 A 104 GLY HAx H 1 3.62 0.02 A 104 GLY HAy H 1 4.36 0.02 A 104 GLY C C 13 174.8 0.2 A 104 GLY CA C 13 45.4 0.2 A 104 GLY N N 15 108.1 0.2 A 105 GLN H H 1 8.98 0.02 A 105 GLN HA H 1 4.37 0.02 A 105 GLN HBx H 1 2.34 0.02 A 105 GLN HBy H 1 2.52 0.02 A 105 GLN HE21 H 1 8.37 0.02 A 105 GLN HE22 H 1 7.00 0.02 A 105 GLN HGx H 1 2.27 0.02 A 105 GLN HGy H 1 2.65 0.02 A 105 GLN C C 13 175.0 0.2 A 105 GLN CA C 13 57.0 0.2 A 105 GLN CB C 13 29.4 0.2 A 105 GLN CD C 13 180.4 0.2 A 105 GLN CG C 13 35.3 0.2 A 105 GLN N N 15 123.6 0.2 A 105 GLN NE2 N 15 112.8 0.2 A 106 LEU H H 1 8.39 0.02 A 106 LEU HA H 1 5.88 0.02 A 106 LEU HBx H 1 1.68 0.02 A 106 LEU HBy H 1 1.76 0.02 A 106 LEU HD1% H 1 1.04 0.02 A 106 LEU HD2% H 1 0.97 0.02 A 106 LEU HG H 1 1.74 0.02 A 106 LEU C C 13 177.2 0.2 A 106 LEU CA C 13 54.5 0.2 A 106 LEU CB C 13 47.2 0.2 A 106 LEU CD1 C 13 25.5 0.2 A 106 LEU CD2 C 13 25.7 0.2 A 106 LEU CG C 13 27.4 0.2 A 106 LEU N N 15 124.6 0.2 A 107 GLN H H 1 9.53 0.02 A 107 GLN HA H 1 4.67 0.02 A 107 GLN HBx H 1 1.74 0.02 A 107 GLN HBy H 1 1.74 0.02 A 107 GLN HE21 H 1 7.14 0.02 A 107 GLN HE22 H 1 6.67 0.02 A 107 GLN HGx H 1 2.13 0.02 A 107 GLN HGy H 1 2.13 0.02 A 107 GLN C C 13 173.8 0.2 A 107 GLN CA C 13 55.1 0.2 A 107 GLN CB C 13 33.1 0.2 A 107 GLN CD C 13 179.3 0.2 A 107 GLN CG C 13 32.9 0.2 A 107 GLN N N 15 123.2 0.2 A 107 GLN NE2 N 15 111.3 0.2 A 108 GLN H H 1 8.81 0.02 A 108 GLN HA H 1 5.29 0.02 A 108 GLN HBx H 1 1.76 0.02 A 108 GLN HBy H 1 1.87 0.02 A 108 GLN HE2y H 1 6.60 0.02 A 108 GLN HE2x H 1 6.51 0.02 A 108 GLN HGx H 1 1.50 0.02 A 108 GLN HGy H 1 1.78 0.02 A 108 GLN C C 13 174.7 0.2 A 108 GLN CA C 13 54.2 0.2 A 108 GLN CB C 13 31.7 0.2 A 108 GLN CD C 13 179.1 0.2 A 108 GLN CG C 13 32.6 0.2 A 108 GLN N N 15 123.9 0.2 A 108 GLN NE2 N 15 109.6 0.2 A 109 LEU H H 1 9.45 0.02 A 109 LEU HA H 1 4.61 0.02 A 109 LEU HBx H 1 1.30 0.02 A 109 LEU HBy H 1 1.55 0.02 A 109 LEU HD1% H 1 0.97 0.02 A 109 LEU HD2% H 1 0.96 0.02 A 109 LEU HG H 1 1.63 0.02 A 109 LEU C C 13 174.7 0.2 A 109 LEU CA C 13 54.1 0.2 A 109 LEU CB C 13 46.4 0.2 A 109 LEU CD1 C 13 25.7 0.2 A 109 LEU CD2 C 13 24.5 0.2 A 109 LEU CG C 13 27.9 0.2 A 109 LEU N N 15 127.8 0.2 A 110 THR H H 1 8.05 0.02 A 110 THR HA H 1 5.18 0.02 A 110 THR HB H 1 3.50 0.02 A 110 THR HG2% H 1 1.01 0.02 A 110 THR C C 13 173.4 0.2 A 110 THR CA C 13 61.7 0.2 A 110 THR CB C 13 71.7 0.2 A 110 THR CG2 C 13 21.7 0.2 A 110 THR N N 15 118.0 0.2 A 111 PHE H H 1 9.14 0.02 A 111 PHE HA H 1 4.57 0.02 A 111 PHE HBx H 1 2.47 0.02 A 111 PHE HBy H 1 2.60 0.02 A 111 PHE HDx H 1 7.04 0.02 A 111 PHE HDy H 1 7.04 0.02 A 111 PHE C C 13 173.3 0.2 A 111 PHE CA C 13 56.2 0.2 A 111 PHE CB C 13 41.2 0.2 A 111 PHE CDx C 13 131.9 0.2 A 111 PHE CDy C 13 131.9 0.2 A 111 PHE N N 15 126.5 0.2 A 112 SER H H 1 8.07 0.02 A 112 SER HA H 1 5.26 0.02 A 112 SER HBx H 1 3.48 0.02 A 112 SER HBy H 1 3.61 0.02 A 112 SER C C 13 172.9 0.2 A 112 SER CA C 13 56.3 0.2 A 112 SER CB C 13 64.9 0.2 A 112 SER N N 15 116.6 0.2 A 113 PHE H H 1 9.20 0.02 A 113 PHE HA H 1 5.07 0.02 A 113 PHE HBx H 1 2.53 0.02 A 113 PHE HBy H 1 2.87 0.02 A 113 PHE HDx H 1 6.78 0.02 A 113 PHE HDy H 1 6.78 0.02 A 113 PHE HEx H 1 6.73 0.02 A 113 PHE HEy H 1 6.73 0.02 A 113 PHE HZ H 1 6.53 0.02 A 113 PHE CA C 13 55.9 0.2 A 113 PHE CB C 13 43.0 0.2 A 113 PHE CDx C 13 132.6 0.2 A 113 PHE CDy C 13 132.6 0.2 A 113 PHE CEx C 13 131.2 0.2 A 113 PHE CEy C 13 131.2 0.2 A 113 PHE CZ C 13 127.2 0.2 A 113 PHE N N 15 122.5 0.2 A 115 ASN HA H 1 4.61 0.02 A 116 ASP H H 1 8.01 0.02 A 116 ASP HA H 1 4.67 0.02 A 116 ASP HBx H 1 2.58 0.02 A 116 ASP HBy H 1 2.74 0.02 A 116 ASP C C 13 176.2 0.2 A 116 ASP CA C 13 54.2 0.2 A 116 ASP CB C 13 41.3 0.2 A 116 ASP N N 15 119.0 0.2 A 117 SER H H 1 8.39 0.02 A 117 SER HA H 1 4.48 0.02 A 117 SER HBx H 1 3.93 0.02 A 117 SER HBy H 1 3.93 0.02 A 117 SER C C 13 174.9 0.2 A 117 SER CA C 13 58.7 0.2 A 117 SER CB C 13 63.8 0.2 A 117 SER N N 15 117.5 0.2 A 118 SER H H 1 8.39 0.02 A 118 SER HA H 1 4.43 0.02 A 118 SER HBx H 1 3.94 0.02 A 118 SER HBy H 1 3.94 0.02 A 118 SER C C 13 174.7 0.2 A 118 SER CA C 13 59.0 0.2 A 118 SER CB C 13 63.8 0.2 A 118 SER N N 15 118.2 0.2 A 119 LYS H H 1 8.31 0.02 A 119 LYS HA H 1 4.34 0.02 A 119 LYS HBx H 1 1.77 0.02 A 119 LYS HBy H 1 1.87 0.02 A 119 LYS HDx H 1 1.69 0.02 A 119 LYS HDy H 1 1.69 0.02 A 119 LYS HEx H 1 2.99 0.02 A 119 LYS HEy H 1 2.99 0.02 A 119 LYS HGx H 1 1.44 0.02 A 119 LYS HGy H 1 1.44 0.02 A 119 LYS C C 13 176.8 0.2 A 119 LYS CA C 13 56.6 0.2 A 119 LYS CB C 13 32.9 0.2 A 119 LYS CD C 13 28.8 0.2 A 119 LYS CE C 13 42.0 0.2 A 119 LYS CG C 13 24.6 0.2 A 119 LYS N N 15 123.0 0.2 A 120 GLU H H 1 8.40 0.02 A 120 GLU HA H 1 4.21 0.02 A 120 GLU HBx H 1 1.98 0.02 A 120 GLU HBy H 1 2.05 0.02 A 120 GLU HGx H 1 2.29 0.02 A 120 GLU HGy H 1 2.29 0.02 A 120 GLU C C 13 176.9 0.2 A 120 GLU CA C 13 57.3 0.2 A 120 GLU CB C 13 30.0 0.2 A 120 GLU CG C 13 36.0 0.2 A 120 GLU N N 15 121.5 0.2 A 121 GLU H H 1 8.40 0.02 A 121 GLU HA H 1 4.22 0.02 A 121 GLU HBx H 1 1.98 0.02 A 121 GLU HBy H 1 2.05 0.02 A 121 GLU HGx H 1 2.28 0.02 A 121 GLU HGy H 1 2.28 0.02 A 121 GLU C C 13 176.8 0.2 A 121 GLU CA C 13 57.1 0.2 A 121 GLU CB C 13 30.1 0.2 A 121 GLU CG C 13 36.0 0.2 A 121 GLU N N 15 121.3 0.2 A 122 GLU H H 1 8.31 0.02 A 122 GLU HA H 1 4.22 0.02 A 122 GLU HBx H 1 1.98 0.02 A 122 GLU HBy H 1 2.05 0.02 A 122 GLU HGx H 1 2.28 0.02 A 122 GLU HGy H 1 2.28 0.02 A 122 GLU C C 13 176.8 0.2 A 122 GLU CA C 13 57.0 0.2 A 122 GLU CB C 13 30.1 0.2 A 122 GLU CG C 13 36.0 0.2 A 122 GLU N N 15 121.4 0.2 A 123 LEU H H 1 8.12 0.02 A 123 LEU HA H 1 4.24 0.02 A 123 LEU HBx H 1 1.52 0.02 A 123 LEU HBy H 1 1.65 0.02 A 123 LEU HD1% H 1 0.90 0.02 A 123 LEU HD2% H 1 0.85 0.02 A 123 LEU HG H 1 1.62 0.02 A 123 LEU C C 13 177.7 0.2 A 123 LEU CA C 13 55.7 0.2 A 123 LEU CB C 13 42.3 0.2 A 123 LEU CD1 C 13 25.0 0.2 A 123 LEU CD2 C 13 23.3 0.2 A 123 LEU CG C 13 27.0 0.2 A 123 LEU N N 15 122.1 0.2 A 124 GLU H H 1 8.20 0.02 A 124 GLU HA H 1 4.15 0.02 A 124 GLU HBx H 1 1.91 0.02 A 124 GLU HBy H 1 1.91 0.02 A 124 GLU HGx H 1 2.14 0.02 A 124 GLU HGy H 1 2.21 0.02 A 124 GLU C C 13 176.5 0.2 A 124 GLU CA C 13 56.9 0.2 A 124 GLU CB C 13 30.0 0.2 A 124 GLU CG C 13 36.1 0.2 A 124 GLU N N 15 120.0 0.2 A 125 HIS H H 1 8.22 0.02 A 125 HIS HA H 1 4.57 0.02 A 125 HIS HBx H 1 3.07 0.02 A 125 HIS HBy H 1 3.07 0.02 A 125 HIS CA C 13 55.9 0.2 A 125 HIS CB C 13 30.0 0.2 A 125 HIS N N 15 118.7 0.2 A 127 HIS H H 1 8.15 0.02 A 127 HIS HA H 1 4.60 0.02 A 127 HIS HBx H 1 3.14 0.02 A 127 HIS HBy H 1 3.14 0.02 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 SER HA A 11 TYR H 1.0 1.8 3.36 2 2 A 11 TYR H A 10 SER HBx 1.0 1.8 4.00 3 2 A 11 TYR H A 10 SER HBy 1.0 1.8 4.00 4 3 A 10 SER H A 10 SER HBx 1.0 1.8 3.27 5 3 A 10 SER HBy A 10 SER H 1.0 1.8 3.27 6 4 A 11 TYR HA A 11 TYR HD% 1.0 1.8 4.06 7 5 A 11 TYR HA A 12 PRO HBy 1.0 1.8 5.37 8 5 A 11 TYR HA A 12 PRO HBx 1.0 1.8 5.37 9 6 A 11 TYR HA A 12 PRO HDy 1.0 1.8 3.80 10 6 A 11 TYR HA A 12 PRO HDx 1.0 1.8 3.80 11 7 A 11 TYR HBx A 12 PRO HDy 1.0 1.8 5.10 12 7 A 12 PRO HDx A 11 TYR HBy 1.0 1.8 5.10 13 7 A 12 PRO HDx A 11 TYR HBx 1.0 1.8 5.10 14 7 A 11 TYR HBy A 12 PRO HDy 1.0 1.8 5.10 15 8 A 12 PRO HDx A 11 TYR HBy 1.0 1.8 5.00 16 8 A 11 TYR HBy A 12 PRO HDy 1.0 1.8 5.00 17 9 A 12 PRO HDx A 11 TYR HBx 1.0 1.8 5.00 18 9 A 11 TYR HBx A 12 PRO HDy 1.0 1.8 5.00 19 10 A 11 TYR HD% A 12 PRO HDy 1.0 1.8 5.00 20 11 A 11 TYR HD% A 12 PRO HDx 1.0 1.8 5.00 21 12 A 11 TYR H A 11 TYR HBy 1.0 1.8 3.69 22 12 A 11 TYR H A 11 TYR HBx 1.0 1.8 3.69 23 13 A 11 TYR H A 12 PRO HDy 1.0 1.8 5.74 24 14 A 11 TYR H A 12 PRO HDx 1.0 1.8 5.74 25 15 A 12 PRO HA A 13 PHE H 1.0 1.8 3.27 26 16 A 12 PRO HA A 105 GLN HE22 1.0 1.8 5.20 27 16 A 12 PRO HA A 105 GLN HE21 1.0 1.8 5.20 28 17 A 13 PHE H A 12 PRO HBy 1.0 1.8 4.49 29 18 A 12 PRO HBx A 13 PHE H 1.0 1.8 4.49 30 19 A 13 PHE H A 12 PRO HDy 1.0 1.8 6.05 31 19 A 12 PRO HDx A 13 PHE H 1.0 1.8 6.05 32 20 A 13 PHE HA A 13 PHE HD% 1.0 1.8 4.92 33 21 A 13 PHE HA A 14 SER H 1.0 1.8 3.69 34 22 A 14 SER H A 13 PHE HBy 1.0 1.8 4.49 35 23 A 14 SER H A 13 PHE HBx 1.0 1.8 4.49 36 24 A 13 PHE HD% A 14 SER H 1.0 1.8 4.39 37 25 A 13 PHE HD% A 36 LEU HD1% 1.0 1.8 3.56 38 26 A 13 PHE HD% A 36 LEU HD2% 1.0 1.8 4.19 39 27 A 13 PHE HD% A 36 LEU HG 1.0 1.8 5.13 40 28 A 13 PHE HD% A 47 TYR HE% 1.0 1.8 5.24 41 29 A 13 PHE H A 13 PHE HD% 1.0 1.8 3.81 42 30 A 13 PHE H A 14 SER H 1.0 1.8 5.07 43 31 A 13 PHE H A 105 GLN HE22 1.0 1.8 4.60 44 31 A 13 PHE H A 105 GLN HE21 1.0 1.8 4.60 45 32 A 13 PHE H A 105 GLN HGx 1.0 1.8 4.60 46 32 A 13 PHE H A 105 GLN HGy 1.0 1.8 4.60 47 33 A 14 SER HA A 15 ILE HB 1.0 1.8 5.31 48 34 A 14 SER HA A 15 ILE H 1.0 1.8 3.34 49 35 A 15 ILE H A 14 SER HBx 1.0 1.8 3.88 50 35 A 15 ILE H A 14 SER HBy 1.0 1.8 3.88 51 36 A 14 SER H A 36 LEU HA 1.0 1.8 5.42 52 37 A 14 SER H A 36 LEU HD1% 1.0 1.8 6.00 53 38 A 14 SER H A 37 HIS H 1.0 1.8 4.50 54 39 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 4.70 55 40 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 3.55 56 41 A 15 ILE HB A 16 GLU H 1.0 1.8 5.04 57 42 A 15 ILE HB A 36 LEU HA 1.0 1.8 5.53 58 43 A 15 ILE HB A 99 PHE HD% 1.0 1.8 4.80 59 44 A 15 ILE HB A 99 PHE HE% 1.0 1.8 6.05 60 45 A 15 ILE HB A 109 LEU HD1% 1.0 1.8 4.70 61 46 A 15 ILE HB A 109 LEU HD2% 1.0 1.8 4.44 62 47 A 15 ILE HD1% A 16 GLU H 1.0 1.8 5.44 63 48 A 15 ILE HD1% A 35 GLN H 1.0 1.8 6.00 64 49 A 36 LEU HA A 15 ILE HD1% 1.0 1.8 5.00 65 50 A 15 ILE HD1% A 36 LEU HBy 1.0 1.8 5.22 66 51 A 15 ILE HD1% A 36 LEU HBx 1.0 1.8 5.22 67 52 A 36 LEU HD1% A 15 ILE HD1% 1.0 1.8 3.06 68 53 A 36 LEU HG A 15 ILE HD1% 1.0 1.8 4.26 69 54 A 15 ILE HD1% A 36 LEU H 1.0 1.8 6.00 70 55 A 37 HIS H A 15 ILE HD1% 1.0 1.8 5.33 71 56 A 15 ILE HD1% A 99 PHE HBy 1.0 1.8 4.46 72 57 A 15 ILE HD1% A 99 PHE HBx 1.0 1.8 4.46 73 58 A 15 ILE HD1% A 99 PHE HD% 1.0 1.8 5.26 74 59 A 15 ILE HD1% A 107 GLN HBx 1.0 1.8 4.51 75 59 A 15 ILE HD1% A 107 GLN HBy 1.0 1.8 4.51 76 60 A 15 ILE HD1% A 107 GLN HGx 1.0 1.8 4.74 77 60 A 15 ILE HD1% A 107 GLN HGy 1.0 1.8 4.74 78 61 A 15 ILE HD1% A 109 LEU HG 1.0 1.8 6.05 79 62 A 36 LEU HD1% A 15 ILE HG1x 1.0 1.8 4.06 80 62 A 36 LEU HD1% A 15 ILE HG1y 1.0 1.8 4.06 81 63 A 99 PHE HD% A 15 ILE HG1x 1.0 1.8 5.50 82 63 A 99 PHE HD% A 15 ILE HG1y 1.0 1.8 5.50 83 64 A 16 GLU H A 15 ILE HG2% 1.0 1.8 3.77 84 65 A 15 ILE HG2% A 17 THR HA 1.0 1.8 5.37 85 66 A 15 ILE HG2% A 17 THR HG2% 1.0 1.8 3.17 86 67 A 15 ILE HG2% A 17 THR H 1.0 1.8 4.89 87 68 A 15 ILE HG2% A 34 CYS HA 1.0 1.8 4.30 88 69 A 15 ILE HG2% A 34 CYS HBy 1.0 1.8 4.25 89 69 A 15 ILE HG2% A 34 CYS HBx 1.0 1.8 4.25 90 70 A 35 GLN H A 15 ILE HG2% 1.0 1.8 4.03 91 71 A 36 LEU HA A 15 ILE HG2% 1.0 1.8 3.56 92 72 A 36 LEU HD1% A 15 ILE HG2% 1.0 1.8 4.83 93 73 A 99 PHE HD% A 15 ILE HG2% 1.0 1.8 4.39 94 74 A 99 PHE HE% A 15 ILE HG2% 1.0 1.8 4.53 95 75 A 109 LEU HD1% A 15 ILE HG2% 1.0 1.8 4.00 96 76 A 109 LEU HD2% A 15 ILE HG2% 1.0 1.8 5.00 97 77 A 109 LEU HG A 15 ILE HG2% 1.0 1.8 6.05 98 78 A 15 ILE HB A 15 ILE H 1.0 1.8 3.75 99 79 A 15 ILE H A 15 ILE HD1% 1.0 1.8 4.75 100 80 A 15 ILE H A 15 ILE HG1x 1.0 1.8 4.04 101 80 A 15 ILE H A 15 ILE HG1y 1.0 1.8 4.04 102 81 A 15 ILE H A 15 ILE HG2% 1.0 1.8 4.87 103 82 A 15 ILE H A 37 HIS H 1.0 1.8 5.97 104 83 A 15 ILE H A 107 GLN HBx 1.0 1.8 5.76 105 83 A 15 ILE H A 107 GLN HBy 1.0 1.8 5.76 106 84 A 15 ILE H A 107 GLN HE21 1.0 1.8 6.05 107 85 A 15 ILE H A 107 GLN HGx 1.0 1.8 5.24 108 85 A 15 ILE H A 107 GLN HGy 1.0 1.8 5.24 109 86 A 15 ILE H A 109 LEU HD2% 1.0 1.8 5.43 110 87 A 16 GLU HA A 16 GLU HGx 1.0 1.8 3.64 111 87 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.64 112 88 A 17 THR H A 16 GLU HA 1.0 1.8 2.92 113 89 A 17 THR H A 16 GLU HBx 1.0 1.8 4.42 114 89 A 17 THR H A 16 GLU HBy 1.0 1.8 4.42 115 90 A 35 GLN H A 16 GLU HBx 1.0 1.8 5.56 116 90 A 35 GLN H A 16 GLU HBy 1.0 1.8 5.56 117 91 A 17 THR H A 16 GLU HGx 1.0 1.8 3.61 118 91 A 17 THR H A 16 GLU HGy 1.0 1.8 3.61 119 92 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.90 120 92 A 16 GLU H A 16 GLU HBy 1.0 1.8 3.90 121 93 A 16 GLU H A 16 GLU HGx 1.0 1.8 4.54 122 93 A 16 GLU H A 16 GLU HGy 1.0 1.8 4.54 123 94 A 16 GLU H A 17 THR HG2% 1.0 1.8 5.12 124 95 A 16 GLU H A 17 THR H 1.0 1.8 4.92 125 96 A 16 GLU H A 35 GLN HBy 1.0 1.8 4.72 126 96 A 16 GLU H A 35 GLN HBx 1.0 1.8 4.72 127 97 A 16 GLU H A 35 GLN H 1.0 1.8 4.18 128 98 A 36 LEU HA A 16 GLU H 1.0 1.8 4.26 129 99 A 37 HIS H A 16 GLU H 1.0 1.8 6.05 130 100 A 17 THR HA A 17 THR HG2% 1.0 1.8 3.62 131 101 A 17 THR HA A 18 MET H 1.0 1.8 3.66 132 102 A 17 THR HA A 32 ILE HG2% 1.0 1.8 5.50 133 103 A 17 THR HA A 34 CYS HA 1.0 1.8 4.27 134 104 A 35 GLN H A 17 THR HA 1.0 1.8 4.42 135 105 A 18 MET H A 17 THR HB 1.0 1.8 4.07 136 106 A 32 ILE HG2% A 17 THR HB 1.0 1.8 4.07 137 107 A 34 CYS HA A 17 THR HB 1.0 1.8 4.75 138 108 A 17 THR HG2% A 18 MET H 1.0 1.8 4.52 139 109 A 17 THR HG2% A 32 ILE HG2% 1.0 1.8 3.74 140 110 A 17 THR HG2% A 34 CYS HA 1.0 1.8 3.90 141 111 A 17 THR HG2% A 35 GLN HBy 1.0 1.8 5.81 142 111 A 17 THR HG2% A 35 GLN HBx 1.0 1.8 5.81 143 112 A 35 GLN H A 17 THR HG2% 1.0 1.8 4.17 144 113 A 99 PHE HE% A 17 THR HG2% 1.0 1.8 3.65 145 114 A 109 LEU HD1% A 17 THR HG2% 1.0 1.8 3.10 146 115 A 109 LEU HD2% A 17 THR HG2% 1.0 1.8 3.86 147 116 A 17 THR HG2% A 17 THR H 1.0 1.8 3.63 148 117 A 17 THR H A 18 MET H 1.0 1.8 5.06 149 118 A 109 LEU HD1% A 17 THR H 1.0 1.8 4.98 150 119 A 109 LEU HD2% A 17 THR H 1.0 1.8 5.65 151 120 A 18 MET HA A 18 MET HE% 1.0 1.8 5.20 152 121 A 18 MET HA A 18 MET HGy 1.0 1.8 3.77 153 121 A 18 MET HA A 18 MET HGx 1.0 1.8 3.77 154 122 A 18 MET HA A 33 ARG H 1.0 1.8 6.05 155 123 A 18 MET HBx A 19 PRO HDx 1.0 1.8 4.97 156 123 A 18 MET HBy A 19 PRO HDx 1.0 1.8 4.97 157 123 A 19 PRO HDy A 18 MET HBx 1.0 1.8 4.97 158 123 A 18 MET HBy A 19 PRO HDy 1.0 1.8 4.97 159 124 A 18 MET HBy A 33 ARG HDx 1.0 1.8 4.47 160 124 A 18 MET HBx A 33 ARG HDx 1.0 1.8 4.47 161 124 A 33 ARG HDy A 18 MET HBx 1.0 1.8 4.47 162 124 A 18 MET HBy A 33 ARG HDy 1.0 1.8 4.47 163 125 A 18 MET HE% A 33 ARG HDx 1.0 1.8 4.17 164 125 A 18 MET HE% A 33 ARG HDy 1.0 1.8 4.17 165 126 A 18 MET HE% A 18 MET HGy 1.0 1.8 3.40 166 126 A 18 MET HE% A 18 MET HGx 1.0 1.8 3.40 167 127 A 18 MET HGx A 33 ARG HBy 1.0 1.8 5.00 168 127 A 18 MET HGy A 33 ARG HBy 1.0 1.8 5.00 169 127 A 33 ARG HBx A 18 MET HGy 1.0 1.8 5.00 170 127 A 18 MET HGx A 33 ARG HBx 1.0 1.8 5.00 171 128 A 18 MET HGx A 33 ARG HDx 1.0 1.8 3.96 172 128 A 33 ARG HDy A 18 MET HGy 1.0 1.8 3.96 173 128 A 18 MET HGx A 33 ARG HDy 1.0 1.8 3.96 174 128 A 18 MET HGy A 33 ARG HDx 1.0 1.8 3.96 175 129 A 18 MET H A 18 MET HBx 1.0 1.8 3.88 176 129 A 18 MET H A 18 MET HBy 1.0 1.8 3.88 177 130 A 18 MET H A 18 MET HGy 1.0 1.8 4.26 178 131 A 18 MET H A 18 MET HGx 1.0 1.8 4.26 179 132 A 18 MET H A 32 ILE HG2% 1.0 1.8 5.25 180 133 A 18 MET H A 33 ARG HBy 1.0 1.8 5.14 181 134 A 18 MET H A 33 ARG HBx 1.0 1.8 5.14 182 135 A 18 MET H A 33 ARG H 1.0 1.8 5.20 183 136 A 19 PRO HA A 20 VAL HG2% 1.0 1.8 4.22 184 137 A 19 PRO HA A 20 VAL H 1.0 1.8 3.55 185 138 A 20 VAL HA A 20 VAL HG1% 1.0 1.8 3.26 186 139 A 20 VAL HG2% A 20 VAL HA 1.0 1.8 3.90 187 140 A 20 VAL HA A 21 PRO HDy 1.0 1.8 3.73 188 141 A 20 VAL HA A 21 PRO HDx 1.0 1.8 3.73 189 142 A 20 VAL HA A 21 PRO HGy 1.0 1.8 4.49 190 142 A 20 VAL HA A 21 PRO HGx 1.0 1.8 4.49 191 143 A 20 VAL HB A 21 PRO HDy 1.0 1.8 4.11 192 144 A 20 VAL HB A 21 PRO HDx 1.0 1.8 4.11 193 145 A 20 VAL HB A 113 PHE HE% 1.0 1.8 5.18 194 146 A 20 VAL HB A 113 PHE HZ 1.0 1.8 5.08 195 147 A 20 VAL HG1% A 21 PRO HDy 1.0 1.8 4.30 196 148 A 20 VAL HG1% A 21 PRO HDx 1.0 1.8 4.30 197 149 A 20 VAL HG1% A 21 PRO HGy 1.0 1.8 6.02 198 150 A 20 VAL HG1% A 21 PRO HGx 1.0 1.8 6.02 199 151 A 20 VAL HG1% A 32 ILE HA 1.0 1.8 4.60 200 152 A 20 VAL HG1% A 32 ILE HD1% 1.0 1.8 3.69 201 153 A 20 VAL HG1% A 32 ILE HG1y 1.0 1.8 3.82 202 153 A 20 VAL HG1% A 32 ILE HG1x 1.0 1.8 3.82 203 154 A 32 ILE HG2% A 20 VAL HG1% 1.0 1.8 3.45 204 155 A 33 ARG H A 20 VAL HG1% 1.0 1.8 5.64 205 156 A 20 VAL HG1% A 111 PHE HD% 1.0 1.8 3.86 206 157 A 20 VAL HG1% A 113 PHE HE% 1.0 1.8 4.11 207 158 A 20 VAL HG1% A 113 PHE HZ 1.0 1.8 6.00 208 159 A 20 VAL HG2% A 21 PRO HDy 1.0 1.8 5.10 209 160 A 20 VAL HG2% A 21 PRO HDx 1.0 1.8 5.10 210 161 A 20 VAL HG2% A 21 PRO HGy 1.0 1.8 5.89 211 161 A 20 VAL HG2% A 21 PRO HGx 1.0 1.8 5.89 212 162 A 20 VAL HG2% A 32 ILE HG1y 1.0 1.8 5.21 213 162 A 20 VAL HG2% A 32 ILE HG1x 1.0 1.8 5.21 214 163 A 32 ILE HG2% A 20 VAL HG2% 1.0 1.8 4.81 215 164 A 20 VAL HG2% A 111 PHE HBy 1.0 1.8 5.39 216 164 A 20 VAL HG2% A 111 PHE HBx 1.0 1.8 5.39 217 165 A 20 VAL HG2% A 111 PHE HD% 1.0 1.8 3.72 218 166 A 20 VAL HG2% A 113 PHE HE% 1.0 1.8 3.88 219 167 A 20 VAL HG2% A 113 PHE HZ 1.0 1.8 4.37 220 168 A 20 VAL H A 20 VAL HG1% 1.0 1.8 4.27 221 169 A 20 VAL HG2% A 20 VAL H 1.0 1.8 3.36 222 170 A 21 PRO HA A 22 LYS H 1.0 1.8 3.36 223 171 A 21 PRO HA A 23 LYS H 1.0 1.8 4.86 224 172 A 22 LYS H A 21 PRO HBx 1.0 1.8 3.95 225 172 A 22 LYS H A 21 PRO HBy 1.0 1.8 3.95 226 173 A 23 LYS H A 21 PRO HBx 1.0 1.8 4.39 227 173 A 23 LYS H A 21 PRO HBy 1.0 1.8 4.39 228 174 A 24 LEU HG A 21 PRO HBx 1.0 1.8 5.54 229 174 A 21 PRO HBy A 24 LEU HG 1.0 1.8 5.54 230 175 A 30 ALA HB% A 21 PRO HBx 1.0 1.8 5.87 231 175 A 21 PRO HBy A 30 ALA HB% 1.0 1.8 5.87 232 176 A 24 LEU HD1% A 21 PRO HDy 1.0 1.8 4.85 233 176 A 21 PRO HDx A 24 LEU HD1% 1.0 1.8 4.85 234 177 A 30 ALA HB% A 21 PRO HDy 1.0 1.8 4.59 235 178 A 30 ALA HB% A 21 PRO HDx 1.0 1.8 4.59 236 179 A 23 LYS H A 21 PRO HGy 1.0 1.8 5.89 237 179 A 21 PRO HGx A 23 LYS H 1.0 1.8 5.89 238 180 A 21 PRO HGy A 24 LEU HBx 1.0 1.8 5.26 239 180 A 21 PRO HGx A 24 LEU HBx 1.0 1.8 5.26 240 180 A 24 LEU HBy A 21 PRO HGy 1.0 1.8 5.26 241 180 A 21 PRO HGx A 24 LEU HBy 1.0 1.8 5.26 242 181 A 24 LEU HD1% A 21 PRO HGy 1.0 1.8 4.16 243 181 A 21 PRO HGx A 24 LEU HD1% 1.0 1.8 4.16 244 182 A 24 LEU HD2% A 21 PRO HGy 1.0 1.8 4.87 245 182 A 21 PRO HGx A 24 LEU HD2% 1.0 1.8 4.87 246 183 A 30 ALA HB% A 21 PRO HGy 1.0 1.8 3.65 247 183 A 21 PRO HGx A 30 ALA HB% 1.0 1.8 3.65 248 184 A 22 LYS HA A 22 LYS HDx 1.0 1.8 4.53 249 184 A 22 LYS HA A 22 LYS HDy 1.0 1.8 4.53 250 185 A 22 LYS HA A 22 LYS HEx 1.0 1.8 5.20 251 185 A 22 LYS HA A 22 LYS HEy 1.0 1.8 5.20 252 186 A 22 LYS HA A 22 LYS HGy 1.0 1.8 3.58 253 186 A 22 LYS HA A 22 LYS HGx 1.0 1.8 3.58 254 187 A 22 LYS HBy A 23 LYS HGx 1.0 1.8 4.39 255 187 A 23 LYS HGy A 22 LYS HBx 1.0 1.8 4.39 256 187 A 22 LYS HBy A 23 LYS HGy 1.0 1.8 4.39 257 187 A 22 LYS HBx A 23 LYS HGx 1.0 1.8 4.39 258 188 A 23 LYS H A 22 LYS HBx 1.0 1.8 4.50 259 188 A 23 LYS H A 22 LYS HBy 1.0 1.8 4.50 260 189 A 22 LYS HEx A 22 LYS HGy 1.0 1.8 4.17 261 189 A 22 LYS HEy A 22 LYS HGy 1.0 1.8 4.17 262 190 A 22 LYS HGx A 22 LYS HEx 1.0 1.8 4.17 263 190 A 22 LYS HEy A 22 LYS HGx 1.0 1.8 4.17 264 191 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.58 265 191 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.58 266 192 A 22 LYS H A 22 LYS HDx 1.0 1.8 4.74 267 192 A 22 LYS H A 22 LYS HDy 1.0 1.8 4.74 268 193 A 22 LYS H A 22 LYS HGy 1.0 1.8 3.92 269 193 A 22 LYS H A 22 LYS HGx 1.0 1.8 3.92 270 194 A 22 LYS H A 23 LYS HGx 1.0 1.8 4.92 271 194 A 22 LYS H A 23 LYS HGy 1.0 1.8 4.92 272 195 A 22 LYS H A 23 LYS H 1.0 1.8 3.73 273 196 A 23 LYS HA A 23 LYS HDx 1.0 1.8 4.84 274 196 A 23 LYS HA A 23 LYS HDy 1.0 1.8 4.84 275 197 A 23 LYS HBy A 23 LYS HEx 1.0 1.8 5.31 276 197 A 23 LYS HBy A 23 LYS HEy 1.0 1.8 5.31 277 198 A 23 LYS HBx A 23 LYS HEx 1.0 1.8 5.31 278 198 A 23 LYS HEy A 23 LYS HBx 1.0 1.8 5.31 279 199 A 23 LYS HEx A 23 LYS HGx 1.0 1.8 3.11 280 199 A 23 LYS HEy A 23 LYS HGx 1.0 1.8 3.11 281 199 A 23 LYS HGy A 23 LYS HEx 1.0 1.8 3.11 282 199 A 23 LYS HGy A 23 LYS HEy 1.0 1.8 3.11 283 200 A 23 LYS H A 23 LYS HDx 1.0 1.8 5.00 284 200 A 23 LYS H A 23 LYS HDy 1.0 1.8 5.00 285 201 A 23 LYS H A 23 LYS HGx 1.0 1.8 4.82 286 201 A 23 LYS H A 23 LYS HGy 1.0 1.8 4.82 287 202 A 24 LEU HD1% A 24 LEU HA 1.0 1.8 4.70 288 203 A 24 LEU HD2% A 24 LEU HA 1.0 1.8 3.95 289 204 A 24 LEU HA A 28 GLU HBy 1.0 1.8 5.80 290 205 A 24 LEU HA A 28 GLU HBx 1.0 1.8 5.80 291 206 A 24 LEU HD1% A 24 LEU HBx 1.0 1.8 3.58 292 206 A 24 LEU HD1% A 24 LEU HBy 1.0 1.8 3.58 293 207 A 24 LEU HD2% A 24 LEU HBx 1.0 1.8 3.38 294 207 A 24 LEU HBy A 24 LEU HD2% 1.0 1.8 3.38 295 208 A 24 LEU HBy A 87 SER HBx 1.0 1.8 5.24 296 208 A 24 LEU HBx A 87 SER HBx 1.0 1.8 5.24 297 208 A 87 SER HBy A 24 LEU HBx 1.0 1.8 5.24 298 208 A 24 LEU HBy A 87 SER HBy 1.0 1.8 5.24 299 209 A 24 LEU HD1% A 25 LYS H 1.0 1.8 5.18 300 210 A 24 LEU HD1% A 28 GLU HBx 1.0 1.8 4.66 301 210 A 24 LEU HD1% A 28 GLU HBy 1.0 1.8 4.66 302 211 A 24 LEU HD1% A 29 THR HA 1.0 1.8 6.00 303 212 A 30 ALA HB% A 24 LEU HD1% 1.0 1.8 3.80 304 213 A 24 LEU HD1% A 30 ALA H 1.0 1.8 5.17 305 214 A 24 LEU HD1% A 85 TYR HBy 1.0 1.8 5.71 306 214 A 24 LEU HD1% A 85 TYR HBx 1.0 1.8 5.71 307 215 A 24 LEU HD1% A 85 TYR HD% 1.0 1.8 3.98 308 216 A 24 LEU HD1% A 85 TYR HE% 1.0 1.8 4.80 309 217 A 24 LEU HD1% A 87 SER HBx 1.0 1.8 4.19 310 217 A 24 LEU HD1% A 87 SER HBy 1.0 1.8 4.19 311 218 A 24 LEU HD2% A 25 LYS H 1.0 1.8 4.28 312 219 A 24 LEU HD2% A 28 GLU HBy 1.0 1.8 4.40 313 220 A 24 LEU HD2% A 28 GLU HBx 1.0 1.8 4.40 314 221 A 24 LEU HD2% A 28 GLU HGy 1.0 1.8 4.26 315 221 A 24 LEU HD2% A 28 GLU HGx 1.0 1.8 4.26 316 222 A 24 LEU HD2% A 28 GLU H 1.0 1.8 6.00 317 223 A 24 LEU HD2% A 29 THR HA 1.0 1.8 4.62 318 224 A 24 LEU HD2% A 29 THR H 1.0 1.8 5.05 319 225 A 24 LEU HD2% A 30 ALA HA 1.0 1.8 5.20 320 226 A 30 ALA HB% A 24 LEU HD2% 1.0 1.8 3.52 321 227 A 24 LEU HD2% A 30 ALA H 1.0 1.8 4.79 322 228 A 24 LEU HD2% A 85 TYR HD% 1.0 1.8 5.00 323 229 A 24 LEU HD2% A 85 TYR HE% 1.0 1.8 5.00 324 230 A 24 LEU HD2% A 87 SER HBx 1.0 1.8 5.37 325 230 A 24 LEU HD2% A 87 SER HBy 1.0 1.8 5.37 326 231 A 25 LYS HA A 26 VAL HG2% 1.0 1.8 4.14 327 232 A 26 VAL H A 25 LYS HBx 1.0 1.8 4.09 328 232 A 25 LYS HBy A 26 VAL H 1.0 1.8 4.09 329 233 A 25 LYS HEx A 25 LYS HGx 1.0 1.8 3.48 330 233 A 25 LYS HEy A 25 LYS HGx 1.0 1.8 3.48 331 233 A 25 LYS HGy A 25 LYS HEx 1.0 1.8 3.48 332 233 A 25 LYS HGy A 25 LYS HEy 1.0 1.8 3.48 333 234 A 26 VAL H A 25 LYS HGx 1.0 1.8 5.20 334 234 A 26 VAL H A 25 LYS HGy 1.0 1.8 5.20 335 235 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.79 336 235 A 25 LYS H A 25 LYS HGy 1.0 1.8 4.79 337 236 A 25 LYS H A 28 GLU HBy 1.0 1.8 5.01 338 237 A 25 LYS H A 28 GLU HBx 1.0 1.8 5.01 339 238 A 25 LYS H A 28 GLU HGy 1.0 1.8 4.73 340 238 A 25 LYS H A 28 GLU HGx 1.0 1.8 4.73 341 239 A 26 VAL HA A 26 VAL HG1% 1.0 1.8 3.51 342 240 A 26 VAL HG2% A 26 VAL HA 1.0 1.8 3.45 343 241 A 26 VAL HA A 27 GLY H 1.0 1.8 3.81 344 242 A 26 VAL HA A 89 SER H 1.0 1.8 4.71 345 243 A 27 GLY H A 26 VAL HB 1.0 1.8 4.89 346 244 A 26 VAL HG1% A 27 GLY HAx 1.0 1.8 3.89 347 244 A 26 VAL HG1% A 27 GLY HAy 1.0 1.8 3.89 348 245 A 26 VAL HG1% A 27 GLY H 1.0 1.8 3.49 349 246 A 26 VAL HG1% A 88 ALA HA 1.0 1.8 3.18 350 247 A 26 VAL HG1% A 88 ALA HB% 1.0 1.8 3.51 351 248 A 26 VAL HG2% A 27 GLY H 1.0 1.8 4.52 352 249 A 26 VAL HG2% A 88 ALA HA 1.0 1.8 4.00 353 250 A 26 VAL HG2% A 88 ALA HB% 1.0 1.8 5.00 354 251 A 26 VAL HG2% A 89 SER HA 1.0 1.8 4.60 355 252 A 26 VAL HG2% A 89 SER HBy 1.0 1.8 5.00 356 252 A 26 VAL HG2% A 89 SER HBx 1.0 1.8 5.00 357 253 A 26 VAL HG2% A 89 SER H 1.0 1.8 4.00 358 254 A 26 VAL HG2% A 90 THR HA 1.0 1.8 4.54 359 255 A 26 VAL HG2% A 90 THR H 1.0 1.8 5.49 360 256 A 26 VAL HG2% A 91 ASP H 1.0 1.8 6.05 361 257 A 26 VAL H A 26 VAL HB 1.0 1.8 3.67 362 258 A 26 VAL H A 26 VAL HG1% 1.0 1.8 4.60 363 259 A 26 VAL HG2% A 26 VAL H 1.0 1.8 3.07 364 260 A 86 THR HG2% A 27 GLY HAx 1.0 1.8 3.92 365 260 A 27 GLY HAy A 86 THR HG2% 1.0 1.8 3.92 366 261 A 28 GLU H A 27 GLY H 1.0 1.8 4.21 367 262 A 27 GLY H A 86 THR HG2% 1.0 1.8 3.96 368 263 A 27 GLY H A 88 ALA HB% 1.0 1.8 5.43 369 264 A 28 GLU HA A 28 GLU HGy 1.0 1.8 4.18 370 265 A 28 GLU HGx A 28 GLU HA 1.0 1.8 4.18 371 266 A 28 GLU HA A 29 THR HB 1.0 1.8 5.40 372 267 A 29 THR H A 28 GLU HA 1.0 1.8 3.40 373 268 A 86 THR HG2% A 28 GLU HBx 1.0 1.8 6.05 374 268 A 28 GLU HBy A 86 THR HG2% 1.0 1.8 6.05 375 269 A 28 GLU HBy A 29 THR H 1.0 1.8 5.02 376 270 A 29 THR H A 28 GLU HBx 1.0 1.8 5.02 377 271 A 28 GLU H A 28 GLU HGy 1.0 1.8 5.16 378 272 A 28 GLU HGx A 28 GLU H 1.0 1.8 5.16 379 273 A 28 GLU H A 29 THR H 1.0 1.8 5.36 380 274 A 28 GLU H A 86 THR HG2% 1.0 1.8 4.99 381 275 A 29 THR HA A 29 THR HG2% 1.0 1.8 3.75 382 276 A 30 ALA HB% A 29 THR HA 1.0 1.8 4.73 383 277 A 29 THR HA A 85 TYR H 1.0 1.8 5.53 384 278 A 29 THR HA A 86 THR HA 1.0 1.8 4.10 385 279 A 29 THR HA A 86 THR HG2% 1.0 1.8 4.46 386 280 A 30 ALA H A 29 THR HB 1.0 1.8 5.25 387 281 A 30 ALA H A 29 THR HG2% 1.0 1.8 3.93 388 282 A 29 THR HG2% A 31 GLU HA 1.0 1.8 4.49 389 283 A 29 THR HG2% A 31 GLU H 1.0 1.8 5.09 390 284 A 29 THR HG2% A 84 TYR HA 1.0 1.8 4.54 391 285 A 29 THR HG2% A 84 TYR HBx 1.0 1.8 3.47 392 285 A 29 THR HG2% A 84 TYR HBy 1.0 1.8 3.47 393 286 A 29 THR HG2% A 84 TYR HD% 1.0 1.8 3.65 394 287 A 29 THR HG2% A 84 TYR HE% 1.0 1.8 4.66 395 288 A 29 THR HG2% A 85 TYR HA 1.0 1.8 5.21 396 289 A 29 THR HG2% A 85 TYR H 1.0 1.8 3.98 397 290 A 86 THR HG2% A 29 THR HG2% 1.0 1.8 5.42 398 291 A 29 THR H A 29 THR HB 1.0 1.8 3.76 399 292 A 29 THR H A 29 THR HG2% 1.0 1.8 4.70 400 293 A 30 ALA H A 29 THR H 1.0 1.8 5.20 401 294 A 30 ALA HA A 31 GLU H 1.0 1.8 3.45 402 295 A 30 ALA HB% A 31 GLU HA 1.0 1.8 4.96 403 296 A 30 ALA HB% A 31 GLU H 1.0 1.8 3.95 404 297 A 32 ILE HD1% A 30 ALA HB% 1.0 1.8 4.51 405 298 A 30 ALA HB% A 32 ILE HG1y 1.0 1.8 4.87 406 298 A 32 ILE HG1x A 30 ALA HB% 1.0 1.8 4.87 407 299 A 30 ALA HB% A 84 TYR HA 1.0 1.8 5.83 408 300 A 30 ALA HB% A 85 TYR HBy 1.0 1.8 4.96 409 301 A 30 ALA HB% A 85 TYR HBx 1.0 1.8 4.96 410 302 A 30 ALA HB% A 85 TYR HD% 1.0 1.8 4.66 411 303 A 30 ALA HB% A 85 TYR H 1.0 1.8 4.23 412 304 A 30 ALA HB% A 86 THR H 1.0 1.8 5.75 413 305 A 113 PHE HE% A 30 ALA HB% 1.0 1.8 4.57 414 306 A 113 PHE HZ A 30 ALA HB% 1.0 1.8 4.20 415 307 A 30 ALA H A 31 GLU H 1.0 1.8 5.44 416 308 A 30 ALA H A 85 TYR H 1.0 1.8 4.31 417 309 A 30 ALA H A 86 THR HA 1.0 1.8 5.22 418 310 A 31 GLU HA A 83 LEU H 1.0 1.8 5.83 419 311 A 31 GLU HA A 84 TYR HA 1.0 1.8 4.60 420 312 A 31 GLU HA A 84 TYR HD% 1.0 1.8 4.76 421 313 A 85 TYR H A 31 GLU HA 1.0 1.8 5.32 422 314 A 84 TYR HE% A 31 GLU HBx 1.0 1.8 4.35 423 314 A 84 TYR HE% A 31 GLU HBy 1.0 1.8 4.35 424 315 A 32 ILE H A 31 GLU HGx 1.0 1.8 4.74 425 315 A 31 GLU HGy A 32 ILE H 1.0 1.8 4.74 426 316 A 31 GLU HGx A 82 ARG HBx 1.0 1.8 4.92 427 316 A 31 GLU HGy A 82 ARG HBx 1.0 1.8 4.92 428 316 A 82 ARG HBy A 31 GLU HGx 1.0 1.8 4.92 429 316 A 31 GLU HGy A 82 ARG HBy 1.0 1.8 4.92 430 317 A 31 GLU HGx A 82 ARG HDx 1.0 1.8 4.93 431 317 A 31 GLU HGy A 82 ARG HDx 1.0 1.8 4.93 432 317 A 82 ARG HDy A 31 GLU HGx 1.0 1.8 4.93 433 317 A 31 GLU HGy A 82 ARG HDy 1.0 1.8 4.93 434 318 A 84 TYR HE% A 31 GLU HGx 1.0 1.8 4.33 435 318 A 84 TYR HE% A 31 GLU HGy 1.0 1.8 4.33 436 319 A 31 GLU H A 31 GLU HBy 1.0 1.8 4.10 437 320 A 31 GLU H A 31 GLU HBx 1.0 1.8 4.10 438 321 A 31 GLU H A 31 GLU HGx 1.0 1.8 5.09 439 321 A 31 GLU H A 31 GLU HGy 1.0 1.8 5.09 440 322 A 31 GLU H A 32 ILE H 1.0 1.8 5.10 441 323 A 32 ILE HA A 32 ILE HD1% 1.0 1.8 4.94 442 324 A 32 ILE HG2% A 32 ILE HA 1.0 1.8 3.77 443 325 A 33 ARG H A 32 ILE HA 1.0 1.8 3.72 444 326 A 32 ILE HD1% A 32 ILE HB 1.0 1.8 3.78 445 327 A 32 ILE HB A 83 LEU HD1% 1.0 1.8 4.86 446 328 A 32 ILE HD1% A 60 LEU HD1% 1.0 1.8 3.86 447 329 A 32 ILE HD1% A 83 LEU HBy 1.0 1.8 5.28 448 329 A 32 ILE HD1% A 83 LEU HBx 1.0 1.8 5.28 449 330 A 32 ILE HD1% A 83 LEU HD1% 1.0 1.8 4.14 450 331 A 32 ILE HD1% A 85 TYR HBy 1.0 1.8 4.27 451 332 A 32 ILE HD1% A 85 TYR HBx 1.0 1.8 4.27 452 333 A 32 ILE HD1% A 85 TYR HD% 1.0 1.8 5.42 453 334 A 32 ILE HD1% A 85 TYR H 1.0 1.8 4.76 454 335 A 32 ILE HD1% A 97 VAL HG2% 1.0 1.8 4.74 455 336 A 32 ILE HD1% A 111 PHE HD% 1.0 1.8 4.22 456 337 A 113 PHE HE% A 32 ILE HD1% 1.0 1.8 4.86 457 338 A 113 PHE HZ A 32 ILE HD1% 1.0 1.8 4.51 458 339 A 32 ILE HG2% A 32 ILE HD1% 1.0 1.8 3.26 459 340 A 32 ILE HG2% A 32 ILE HG1y 1.0 1.8 4.26 460 340 A 32 ILE HG2% A 32 ILE HG1x 1.0 1.8 4.26 461 341 A 32 ILE HG2% A 33 ARG H 1.0 1.8 4.17 462 342 A 32 ILE HG2% A 34 CYS H 1.0 1.8 5.70 463 343 A 32 ILE HG2% A 83 LEU HD1% 1.0 1.8 4.28 464 344 A 32 ILE HG2% A 83 LEU H 1.0 1.8 5.47 465 345 A 99 PHE HE% A 32 ILE HG2% 1.0 1.8 6.00 466 346 A 109 LEU HD1% A 32 ILE HG2% 1.0 1.8 5.00 467 347 A 32 ILE HD1% A 32 ILE H 1.0 1.8 4.70 468 348 A 32 ILE H A 32 ILE HG1y 1.0 1.8 5.33 469 349 A 32 ILE HG1x A 32 ILE H 1.0 1.8 5.33 470 350 A 32 ILE HG2% A 32 ILE H 1.0 1.8 4.82 471 351 A 33 ARG H A 32 ILE H 1.0 1.8 4.94 472 352 A 83 LEU H A 32 ILE H 1.0 1.8 4.88 473 353 A 84 TYR HA A 32 ILE H 1.0 1.8 5.33 474 354 A 33 ARG HA A 33 ARG HDx 1.0 1.8 4.57 475 354 A 33 ARG HDy A 33 ARG HA 1.0 1.8 4.57 476 355 A 33 ARG HA A 33 ARG HGx 1.0 1.8 3.97 477 355 A 33 ARG HA A 33 ARG HGy 1.0 1.8 3.97 478 356 A 33 ARG HA A 82 ARG HA 1.0 1.8 4.71 479 357 A 33 ARG HBy A 33 ARG HDx 1.0 1.8 3.52 480 357 A 33 ARG HBx A 33 ARG HDx 1.0 1.8 3.52 481 357 A 33 ARG HDy A 33 ARG HBy 1.0 1.8 3.52 482 357 A 33 ARG HDy A 33 ARG HBx 1.0 1.8 3.52 483 358 A 34 CYS H A 33 ARG HDx 1.0 1.8 5.37 484 358 A 33 ARG HDy A 34 CYS H 1.0 1.8 5.37 485 359 A 33 ARG H A 33 ARG HDx 1.0 1.8 5.19 486 359 A 33 ARG H A 33 ARG HDy 1.0 1.8 5.19 487 360 A 33 ARG H A 33 ARG HGx 1.0 1.8 5.06 488 360 A 33 ARG H A 33 ARG HGy 1.0 1.8 5.06 489 361 A 33 ARG H A 34 CYS H 1.0 1.8 5.15 490 362 A 35 GLN H A 34 CYS HA 1.0 1.8 3.36 491 363 A 35 GLN H A 34 CYS HBy 1.0 1.8 4.68 492 364 A 35 GLN H A 34 CYS HBx 1.0 1.8 4.68 493 365 A 34 CYS H A 34 CYS HBy 1.0 1.8 3.90 494 365 A 34 CYS HBx A 34 CYS H 1.0 1.8 3.90 495 366 A 34 CYS H A 82 ARG HA 1.0 1.8 4.00 496 367 A 35 GLN HA A 35 GLN HGy 1.0 1.8 4.23 497 368 A 35 GLN HA A 35 GLN HGx 1.0 1.8 4.23 498 369 A 36 LEU H A 35 GLN HA 1.0 1.8 3.69 499 370 A 36 LEU H A 35 GLN HBy 1.0 1.8 4.60 500 370 A 36 LEU H A 35 GLN HBx 1.0 1.8 4.60 501 371 A 35 GLN HE21 A 79 GLU HBx 1.0 1.8 6.04 502 371 A 79 GLU HBy A 35 GLN HE21 1.0 1.8 6.04 503 371 A 79 GLU HBy A 35 GLN HE22 1.0 1.8 6.04 504 371 A 35 GLN HE22 A 79 GLU HBx 1.0 1.8 6.04 505 372 A 35 GLN HE21 A 80 THR HG2% 1.0 1.8 5.12 506 373 A 80 THR HG2% A 35 GLN HE22 1.0 1.8 5.12 507 374 A 35 GLN HE21 A 35 GLN HGx 1.0 1.8 3.21 508 374 A 35 GLN HE21 A 35 GLN HGy 1.0 1.8 3.21 509 374 A 35 GLN HE22 A 35 GLN HGy 1.0 1.8 3.21 510 374 A 35 GLN HE22 A 35 GLN HGx 1.0 1.8 3.21 511 375 A 36 LEU H A 35 GLN HGx 1.0 1.8 4.54 512 375 A 36 LEU H A 35 GLN HGy 1.0 1.8 4.54 513 376 A 80 THR HA A 35 GLN HGx 1.0 1.8 4.61 514 376 A 35 GLN HGy A 80 THR HA 1.0 1.8 4.61 515 377 A 80 THR HG2% A 35 GLN HGx 1.0 1.8 5.28 516 377 A 80 THR HG2% A 35 GLN HGy 1.0 1.8 5.28 517 378 A 35 GLN H A 35 GLN HBy 1.0 1.8 3.98 518 379 A 35 GLN H A 35 GLN HBx 1.0 1.8 3.98 519 380 A 35 GLN H A 35 GLN HGx 1.0 1.8 4.97 520 380 A 35 GLN H A 35 GLN HGy 1.0 1.8 4.97 521 381 A 35 GLN H A 36 LEU H 1.0 1.8 4.95 522 382 A 36 LEU HD1% A 36 LEU HA 1.0 1.8 4.00 523 383 A 36 LEU HD2% A 36 LEU HA 1.0 1.8 5.00 524 384 A 36 LEU HG A 36 LEU HA 1.0 1.8 4.18 525 385 A 36 LEU HA A 37 HIS H 1.0 1.8 3.63 526 386 A 36 LEU HD1% A 36 LEU HBy 1.0 1.8 3.40 527 386 A 36 LEU HD1% A 36 LEU HBx 1.0 1.8 3.40 528 387 A 36 LEU HBx A 79 GLU HBx 1.0 1.8 5.26 529 387 A 36 LEU HBy A 79 GLU HBx 1.0 1.8 5.26 530 387 A 79 GLU HBy A 36 LEU HBy 1.0 1.8 5.26 531 387 A 79 GLU HBy A 36 LEU HBx 1.0 1.8 5.26 532 388 A 36 LEU HBx A 79 GLU HGy 1.0 1.8 4.82 533 388 A 36 LEU HBy A 79 GLU HGy 1.0 1.8 4.82 534 389 A 79 GLU HGx A 36 LEU HBy 1.0 1.8 4.82 535 389 A 36 LEU HBx A 79 GLU HGx 1.0 1.8 4.82 536 390 A 36 LEU HD2% A 36 LEU HBy 1.0 1.8 4.37 537 391 A 79 GLU HA A 36 LEU HBy 1.0 1.8 4.55 538 392 A 79 GLU HBy A 36 LEU HBy 1.0 1.8 5.31 539 392 A 36 LEU HBy A 79 GLU HBx 1.0 1.8 5.31 540 393 A 36 LEU HD2% A 36 LEU HBx 1.0 1.8 4.37 541 394 A 36 LEU HBx A 79 GLU HA 1.0 1.8 4.55 542 395 A 79 GLU HBy A 36 LEU HBx 1.0 1.8 5.31 543 395 A 36 LEU HBx A 79 GLU HBx 1.0 1.8 5.31 544 396 A 36 LEU HD1% A 37 HIS H 1.0 1.8 4.68 545 397 A 36 LEU HD1% A 47 TYR HD% 1.0 1.8 4.21 546 398 A 36 LEU HD1% A 47 TYR HE% 1.0 1.8 4.71 547 399 A 36 LEU HD1% A 76 LEU HD1% 1.0 1.8 4.10 548 400 A 36 LEU HD1% A 79 GLU HA 1.0 1.8 4.60 549 401 A 36 LEU HD2% A 37 HIS HA 1.0 1.8 4.73 550 402 A 36 LEU HD2% A 37 HIS H 1.0 1.8 4.42 551 403 A 36 LEU HD2% A 38 ARG HA 1.0 1.8 4.74 552 404 A 36 LEU HD2% A 38 ARG HBx 1.0 1.8 5.00 553 404 A 36 LEU HD2% A 38 ARG HBy 1.0 1.8 5.00 554 405 A 36 LEU HD2% A 38 ARG HDx 1.0 1.8 3.79 555 405 A 36 LEU HD2% A 38 ARG HDy 1.0 1.8 3.79 556 406 A 36 LEU HD2% A 38 ARG HE 1.0 1.8 5.41 557 407 A 36 LEU HD2% A 38 ARG HGx 1.0 1.8 4.48 558 407 A 36 LEU HD2% A 38 ARG HGy 1.0 1.8 4.48 559 408 A 36 LEU HD2% A 47 TYR HD% 1.0 1.8 4.39 560 409 A 36 LEU HD2% A 47 TYR HE% 1.0 1.8 4.40 561 410 A 36 LEU HD2% A 79 GLU HA 1.0 1.8 4.31 562 411 A 36 LEU HD2% A 79 GLU HBx 1.0 1.8 4.19 563 411 A 36 LEU HD2% A 79 GLU HBy 1.0 1.8 4.19 564 412 A 36 LEU HD2% A 79 GLU HGy 1.0 1.8 4.51 565 413 A 36 LEU HD2% A 79 GLU HGx 1.0 1.8 4.51 566 414 A 36 LEU HG A 37 HIS H 1.0 1.8 4.52 567 415 A 36 LEU HG A 38 ARG H 1.0 1.8 5.47 568 416 A 36 LEU HD1% A 36 LEU H 1.0 1.8 5.60 569 417 A 36 LEU HD2% A 36 LEU H 1.0 1.8 5.00 570 418 A 36 LEU HG A 36 LEU H 1.0 1.8 5.25 571 419 A 36 LEU H A 79 GLU HA 1.0 1.8 5.20 572 420 A 36 LEU H A 79 GLU HBx 1.0 1.8 5.13 573 420 A 36 LEU H A 79 GLU HBy 1.0 1.8 5.13 574 421 A 36 LEU H A 79 GLU HGy 1.0 1.8 6.05 575 421 A 36 LEU H A 79 GLU HGx 1.0 1.8 6.05 576 422 A 37 HIS HA A 38 ARG H 1.0 1.8 3.21 577 423 A 38 ARG H A 37 HIS HBx 1.0 1.8 4.60 578 423 A 38 ARG H A 37 HIS HBy 1.0 1.8 4.60 579 424 A 38 ARG HA A 38 ARG HGy 1.0 1.8 4.55 580 425 A 38 ARG HA A 38 ARG HGx 1.0 1.8 4.55 581 426 A 38 ARG HA A 39 ASP H 1.0 1.8 3.48 582 427 A 38 ARG HE A 38 ARG HBx 1.0 1.8 5.00 583 427 A 38 ARG HBy A 38 ARG HE 1.0 1.8 5.00 584 428 A 39 ASP H A 38 ARG HBx 1.0 1.8 4.15 585 428 A 38 ARG HBy A 39 ASP H 1.0 1.8 4.15 586 429 A 47 TYR HE% A 38 ARG HDx 1.0 1.8 5.00 587 429 A 47 TYR HE% A 38 ARG HDy 1.0 1.8 5.00 588 430 A 39 ASP H A 38 ARG HGx 1.0 1.8 4.77 589 430 A 38 ARG HGy A 39 ASP H 1.0 1.8 4.77 590 431 A 38 ARG H A 38 ARG HDx 1.0 1.8 5.81 591 431 A 38 ARG HDy A 38 ARG H 1.0 1.8 5.81 592 432 A 38 ARG H A 38 ARG HGx 1.0 1.8 4.28 593 432 A 38 ARG HGy A 38 ARG H 1.0 1.8 4.28 594 433 A 40 GLY H A 39 ASP HBx 1.0 1.8 3.92 595 433 A 39 ASP HBy A 40 GLY H 1.0 1.8 3.92 596 434 A 41 ARG H A 39 ASP HBx 1.0 1.8 5.43 597 434 A 39 ASP HBy A 41 ARG H 1.0 1.8 5.43 598 435 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.53 599 435 A 39 ASP H A 39 ASP HBy 1.0 1.8 3.53 600 436 A 39 ASP H A 40 GLY H 1.0 1.8 4.44 601 437 A 41 ARG H A 40 GLY HAx 1.0 1.8 3.43 602 437 A 41 ARG H A 40 GLY HAy 1.0 1.8 3.43 603 438 A 40 GLY H A 41 ARG H 1.0 1.8 4.42 604 439 A 41 ARG HA A 41 ARG HDy 1.0 1.8 5.25 605 439 A 41 ARG HA A 41 ARG HDx 1.0 1.8 5.25 606 440 A 41 ARG HA A 41 ARG HGx 1.0 1.8 3.85 607 440 A 41 ARG HA A 41 ARG HGy 1.0 1.8 3.85 608 441 A 41 ARG HA A 42 PHE H 1.0 1.8 3.89 609 442 A 41 ARG HBx A 41 ARG HDy 1.0 1.8 3.03 610 442 A 41 ARG HBy A 41 ARG HDy 1.0 1.8 3.03 611 442 A 41 ARG HDx A 41 ARG HBx 1.0 1.8 3.03 612 442 A 41 ARG HDx A 41 ARG HBy 1.0 1.8 3.03 613 443 A 41 ARG HE A 41 ARG HBx 1.0 1.8 5.19 614 443 A 41 ARG HBy A 41 ARG HE 1.0 1.8 5.19 615 444 A 42 PHE H A 41 ARG HBx 1.0 1.8 4.11 616 444 A 42 PHE H A 41 ARG HBy 1.0 1.8 4.11 617 445 A 41 ARG HGy A 41 ARG HDy 1.0 1.8 3.17 618 445 A 41 ARG HDy A 41 ARG HGx 1.0 1.8 3.17 619 446 A 41 ARG HDx A 41 ARG HGy 1.0 1.8 3.17 620 446 A 41 ARG HDx A 41 ARG HGx 1.0 1.8 3.17 621 447 A 42 PHE H A 41 ARG HGx 1.0 1.8 4.58 622 447 A 41 ARG HGy A 42 PHE H 1.0 1.8 4.58 623 448 A 41 ARG H A 41 ARG HBx 1.0 1.8 3.40 624 448 A 41 ARG H A 41 ARG HBy 1.0 1.8 3.40 625 449 A 41 ARG H A 41 ARG HDy 1.0 1.8 6.05 626 450 A 41 ARG H A 41 ARG HDx 1.0 1.8 6.05 627 451 A 41 ARG H A 42 PHE HD% 1.0 1.8 6.00 628 452 A 42 PHE HD% A 42 PHE HA 1.0 1.8 4.27 629 453 A 43 GLU H A 42 PHE HBx 1.0 1.8 3.94 630 453 A 42 PHE HBy A 43 GLU H 1.0 1.8 3.94 631 454 A 42 PHE HD% A 43 GLU H 1.0 1.8 4.64 632 455 A 42 PHE HD% A 45 THR HB 1.0 1.8 5.65 633 456 A 42 PHE HD% A 45 THR HG2% 1.0 1.8 5.65 634 457 A 42 PHE H A 42 PHE HBx 1.0 1.8 3.80 635 457 A 42 PHE H A 42 PHE HBy 1.0 1.8 3.80 636 458 A 42 PHE H A 42 PHE HD% 1.0 1.8 4.15 637 459 A 43 GLU HA A 44 GLU H 1.0 1.8 3.61 638 460 A 43 GLU H A 43 GLU HBx 1.0 1.8 3.60 639 460 A 43 GLU H A 43 GLU HBy 1.0 1.8 3.60 640 461 A 43 GLU H A 44 GLU H 1.0 1.8 5.27 641 462 A 44 GLU HA A 44 GLU HGx 1.0 1.8 3.87 642 462 A 44 GLU HA A 44 GLU HGy 1.0 1.8 3.87 643 463 A 44 GLU HA A 45 THR H 1.0 1.8 3.33 644 464 A 45 THR H A 44 GLU HBy 1.0 1.8 5.15 645 465 A 45 THR H A 44 GLU HBx 1.0 1.8 5.15 646 466 A 45 THR H A 44 GLU HGx 1.0 1.8 5.18 647 466 A 44 GLU HGy A 45 THR H 1.0 1.8 5.18 648 467 A 44 GLU H A 44 GLU HBx 1.0 1.8 3.23 649 467 A 44 GLU H A 44 GLU HBy 1.0 1.8 3.23 650 468 A 44 GLU H A 44 GLU HGx 1.0 1.8 3.59 651 468 A 44 GLU H A 44 GLU HGy 1.0 1.8 3.59 652 469 A 44 GLU H A 45 THR H 1.0 1.8 3.62 653 470 A 45 THR HG2% A 45 THR HA 1.0 1.8 3.45 654 471 A 45 THR HA A 46 LYS H 1.0 1.8 3.50 655 472 A 45 THR HG2% A 46 LYS H 1.0 1.8 4.00 656 473 A 47 TYR HD% A 45 THR HG2% 1.0 1.8 5.01 657 474 A 47 TYR HE% A 45 THR HG2% 1.0 1.8 4.15 658 475 A 45 THR HG2% A 101 ASP HA 1.0 1.8 5.48 659 476 A 45 THR HG2% A 102 SER HBx 1.0 1.8 5.00 660 476 A 45 THR HG2% A 102 SER HBy 1.0 1.8 5.00 661 477 A 45 THR HG2% A 102 SER H 1.0 1.8 3.94 662 478 A 45 THR HG2% A 103 PHE H 1.0 1.8 4.84 663 479 A 45 THR HB A 45 THR H 1.0 1.8 3.86 664 480 A 45 THR HG2% A 45 THR H 1.0 1.8 4.39 665 481 A 46 LYS HA A 46 LYS HDx 1.0 1.8 4.50 666 481 A 46 LYS HA A 46 LYS HDy 1.0 1.8 4.50 667 482 A 46 LYS HA A 46 LYS HGy 1.0 1.8 4.22 668 483 A 46 LYS HA A 46 LYS HGx 1.0 1.8 4.22 669 484 A 46 LYS HA A 47 TYR H 1.0 1.8 3.61 670 485 A 47 TYR H A 46 LYS HBy 1.0 1.8 4.02 671 485 A 47 TYR H A 46 LYS HBx 1.0 1.8 4.02 672 486 A 46 LYS HBx A 102 SER HBx 1.0 1.8 4.54 673 486 A 46 LYS HBy A 102 SER HBx 1.0 1.8 4.54 674 486 A 102 SER HBy A 46 LYS HBy 1.0 1.8 4.54 675 486 A 102 SER HBy A 46 LYS HBx 1.0 1.8 4.54 676 487 A 46 LYS HEy A 46 LYS HBy 1.0 1.8 5.46 677 487 A 46 LYS HBy A 46 LYS HEx 1.0 1.8 5.46 678 488 A 46 LYS HBx A 46 LYS HEy 1.0 1.8 5.46 679 488 A 46 LYS HBx A 46 LYS HEx 1.0 1.8 5.46 680 489 A 46 LYS HDx A 102 SER HBx 1.0 1.8 6.05 681 489 A 46 LYS HDy A 102 SER HBx 1.0 1.8 6.05 682 489 A 102 SER HBy A 46 LYS HDx 1.0 1.8 6.05 683 489 A 102 SER HBy A 46 LYS HDy 1.0 1.8 6.05 684 490 A 46 LYS HEx A 46 LYS HGy 1.0 1.8 3.31 685 490 A 46 LYS HEy A 46 LYS HGy 1.0 1.8 3.31 686 490 A 46 LYS HGx A 46 LYS HEx 1.0 1.8 3.31 687 490 A 46 LYS HEy A 46 LYS HGx 1.0 1.8 3.31 688 491 A 47 TYR H A 46 LYS HGy 1.0 1.8 5.32 689 491 A 47 TYR H A 46 LYS HGx 1.0 1.8 5.32 690 492 A 46 LYS H A 46 LYS HBy 1.0 1.8 4.28 691 493 A 46 LYS H A 46 LYS HBx 1.0 1.8 4.28 692 494 A 46 LYS H A 46 LYS HGy 1.0 1.8 3.82 693 494 A 46 LYS H A 46 LYS HGx 1.0 1.8 3.82 694 495 A 46 LYS H A 102 SER HBx 1.0 1.8 4.59 695 495 A 46 LYS H A 102 SER HBy 1.0 1.8 4.59 696 496 A 47 TYR HD% A 47 TYR HA 1.0 1.8 5.06 697 497 A 47 TYR HA A 48 PHE H 1.0 1.8 3.70 698 498 A 101 ASP HA A 47 TYR HA 1.0 1.8 4.64 699 499 A 76 LEU HD2% A 47 TYR HBy 1.0 1.8 5.28 700 499 A 47 TYR HBx A 76 LEU HD2% 1.0 1.8 5.28 701 500 A 76 LEU H A 47 TYR HBy 1.0 1.8 5.67 702 500 A 47 TYR HBx A 76 LEU H 1.0 1.8 5.67 703 501 A 100 GLN H A 47 TYR HBy 1.0 1.8 5.95 704 501 A 47 TYR HBx A 100 GLN H 1.0 1.8 5.95 705 502 A 48 PHE H A 47 TYR HBy 1.0 1.8 4.47 706 503 A 76 LEU HD1% A 47 TYR HBy 1.0 1.8 4.79 707 504 A 48 PHE H A 47 TYR HBx 1.0 1.8 4.47 708 505 A 76 LEU HD1% A 47 TYR HBx 1.0 1.8 4.79 709 506 A 47 TYR HD% A 48 PHE H 1.0 1.8 4.82 710 507 A 47 TYR HD% A 76 LEU HD1% 1.0 1.8 5.09 711 508 A 47 TYR HD% A 101 ASP HA 1.0 1.8 6.00 712 509 A 47 TYR HD% A 102 SER H 1.0 1.8 5.37 713 510 A 47 TYR HD% A 47 TYR H 1.0 1.8 4.38 714 511 A 47 TYR H A 48 PHE H 1.0 1.8 5.04 715 512 A 47 TYR H A 76 LEU H 1.0 1.8 4.62 716 513 A 48 PHE HA A 48 PHE HD% 1.0 1.8 4.89 717 514 A 48 PHE HA A 49 ILE HG2% 1.0 1.8 4.43 718 515 A 48 PHE HA A 73 LEU HD1% 1.0 1.8 5.26 719 516 A 48 PHE HA A 73 LEU HD2% 1.0 1.8 5.32 720 517 A 48 PHE HA A 75 PRO HA 1.0 1.8 4.33 721 518 A 76 LEU HD1% A 48 PHE HA 1.0 1.8 5.83 722 519 A 76 LEU HD2% A 48 PHE HA 1.0 1.8 5.43 723 520 A 48 PHE HA A 76 LEU HG 1.0 1.8 5.27 724 521 A 76 LEU H A 48 PHE HA 1.0 1.8 4.05 725 522 A 48 PHE HBy A 73 LEU HBx 1.0 1.8 6.05 726 522 A 48 PHE HBx A 73 LEU HBx 1.0 1.8 6.05 727 522 A 73 LEU HBy A 48 PHE HBy 1.0 1.8 6.05 728 522 A 48 PHE HBx A 73 LEU HBy 1.0 1.8 6.05 729 523 A 73 LEU HD1% A 48 PHE HBy 1.0 1.8 5.00 730 523 A 73 LEU HD1% A 48 PHE HBx 1.0 1.8 5.00 731 524 A 73 LEU HD2% A 48 PHE HBy 1.0 1.8 4.00 732 524 A 73 LEU HD2% A 48 PHE HBx 1.0 1.8 4.00 733 525 A 73 LEU HG A 48 PHE HBy 1.0 1.8 5.04 734 525 A 48 PHE HBx A 73 LEU HG 1.0 1.8 5.04 735 526 A 100 GLN H A 48 PHE HBy 1.0 1.8 5.42 736 526 A 100 GLN H A 48 PHE HBx 1.0 1.8 5.42 737 527 A 49 ILE H A 48 PHE HBy 1.0 1.8 4.71 738 528 A 48 PHE HBx A 49 ILE H 1.0 1.8 4.71 739 529 A 48 PHE HD% A 49 ILE HG2% 1.0 1.8 5.43 740 530 A 48 PHE HD% A 49 ILE H 1.0 1.8 5.29 741 531 A 48 PHE HD% A 73 LEU HD1% 1.0 1.8 4.68 742 532 A 48 PHE HD% A 73 LEU HD2% 1.0 1.8 4.30 743 533 A 48 PHE HD% A 74 TYR HA 1.0 1.8 4.80 744 534 A 48 PHE HD% A 75 PRO HA 1.0 1.8 4.61 745 535 A 48 PHE HD% A 75 PRO HBy 1.0 1.8 4.71 746 535 A 48 PHE HD% A 75 PRO HBx 1.0 1.8 4.71 747 536 A 76 LEU H A 48 PHE HD% 1.0 1.8 4.89 748 537 A 48 PHE H A 48 PHE HD% 1.0 1.8 4.21 749 538 A 76 LEU HD1% A 48 PHE H 1.0 1.8 4.81 750 539 A 48 PHE H A 76 LEU HG 1.0 1.8 5.29 751 540 A 48 PHE H A 100 GLN HBx 1.0 1.8 5.50 752 540 A 48 PHE H A 100 GLN HBy 1.0 1.8 5.50 753 541 A 48 PHE H A 100 GLN HGx 1.0 1.8 5.87 754 541 A 48 PHE H A 100 GLN HGy 1.0 1.8 5.87 755 542 A 101 ASP HA A 48 PHE H 1.0 1.8 4.62 756 543 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 4.51 757 544 A 49 ILE HA A 49 ILE HG1y 1.0 1.8 4.54 758 545 A 49 ILE HA A 49 ILE HG1x 1.0 1.8 4.54 759 546 A 76 LEU HD1% A 49 ILE HA 1.0 1.8 5.62 760 547 A 76 LEU HD2% A 49 ILE HA 1.0 1.8 5.18 761 548 A 49 ILE HA A 97 VAL HG1% 1.0 1.8 5.62 762 549 A 49 ILE HA A 98 TYR H 1.0 1.8 5.80 763 550 A 49 ILE HA A 99 PHE HA 1.0 1.8 4.55 764 551 A 99 PHE HD% A 49 ILE HA 1.0 1.8 5.70 765 552 A 100 GLN H A 49 ILE HA 1.0 1.8 4.79 766 553 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 3.63 767 554 A 49 ILE HB A 50 ARG H 1.0 1.8 4.84 768 555 A 76 LEU HD1% A 49 ILE HB 1.0 1.8 4.17 769 556 A 76 LEU HD2% A 49 ILE HB 1.0 1.8 3.86 770 557 A 99 PHE HD% A 49 ILE HB 1.0 1.8 4.95 771 558 A 49 ILE HD1% A 50 ARG H 1.0 1.8 4.86 772 559 A 49 ILE HD1% A 62 MET HE% 1.0 1.8 4.57 773 560 A 49 ILE HD1% A 68 LEU HD1% 1.0 1.8 3.83 774 561 A 49 ILE HD1% A 68 LEU HD2% 1.0 1.8 3.84 775 562 A 76 LEU HD2% A 49 ILE HD1% 1.0 1.8 4.20 776 563 A 83 LEU HD1% A 49 ILE HD1% 1.0 1.8 2.93 777 564 A 49 ILE HD1% A 83 LEU HD2% 1.0 1.8 3.98 778 565 A 49 ILE HD1% A 83 LEU HG 1.0 1.8 4.99 779 566 A 49 ILE HD1% A 97 VAL HG1% 1.0 1.8 3.90 780 567 A 99 PHE HD% A 49 ILE HD1% 1.0 1.8 4.27 781 568 A 49 ILE HD1% A 99 PHE HZ 1.0 1.8 4.50 782 569 A 50 ARG HA A 49 ILE HG1y 1.0 1.8 5.27 783 569 A 49 ILE HG1x A 50 ARG HA 1.0 1.8 5.27 784 570 A 50 ARG H A 49 ILE HG1y 1.0 1.8 4.06 785 570 A 50 ARG H A 49 ILE HG1x 1.0 1.8 4.06 786 571 A 97 VAL HG1% A 49 ILE HG1y 1.0 1.8 4.66 787 571 A 97 VAL HG1% A 49 ILE HG1x 1.0 1.8 4.66 788 572 A 99 PHE HD% A 49 ILE HG1y 1.0 1.8 4.70 789 572 A 99 PHE HD% A 49 ILE HG1x 1.0 1.8 4.70 790 573 A 49 ILE HG2% A 50 ARG HA 1.0 1.8 5.31 791 574 A 49 ILE HG2% A 50 ARG H 1.0 1.8 4.93 792 575 A 49 ILE HG2% A 62 MET HBy 1.0 1.8 5.57 793 575 A 49 ILE HG2% A 62 MET HBx 1.0 1.8 5.57 794 576 A 49 ILE HG2% A 62 MET HE% 1.0 1.8 4.00 795 577 A 49 ILE HG2% A 68 LEU HD2% 1.0 1.8 5.00 796 578 A 49 ILE HG2% A 74 TYR HBy 1.0 1.8 5.57 797 579 A 49 ILE HG2% A 74 TYR HBx 1.0 1.8 5.57 798 580 A 49 ILE HG2% A 74 TYR HD% 1.0 1.8 4.71 799 581 A 49 ILE HG2% A 74 TYR H 1.0 1.8 4.23 800 582 A 49 ILE HG2% A 75 PRO HA 1.0 1.8 5.52 801 583 A 76 LEU HD2% A 49 ILE HG2% 1.0 1.8 4.00 802 584 A 76 LEU H A 49 ILE HG2% 1.0 1.8 5.17 803 585 A 49 ILE HG2% A 77 PRO HDy 1.0 1.8 5.38 804 585 A 49 ILE HG2% A 77 PRO HDx 1.0 1.8 5.38 805 586 A 49 ILE HG2% A 99 PHE HA 1.0 1.8 6.05 806 587 A 49 ILE H A 49 ILE HG1y 1.0 1.8 4.93 807 587 A 49 ILE H A 49 ILE HG1x 1.0 1.8 4.93 808 588 A 49 ILE HG2% A 49 ILE H 1.0 1.8 3.52 809 589 A 49 ILE H A 68 LEU HD2% 1.0 1.8 5.70 810 590 A 73 LEU HD1% A 49 ILE H 1.0 1.8 5.80 811 591 A 73 LEU HD2% A 49 ILE H 1.0 1.8 6.00 812 592 A 49 ILE H A 74 TYR H 1.0 1.8 4.55 813 593 A 75 PRO HA A 49 ILE H 1.0 1.8 5.17 814 594 A 76 LEU HG A 49 ILE H 1.0 1.8 4.95 815 595 A 76 LEU H A 49 ILE H 1.0 1.8 6.05 816 596 A 68 LEU HD2% A 50 ARG HA 1.0 1.8 6.00 817 597 A 73 LEU HA A 50 ARG HBy 1.0 1.8 4.98 818 597 A 50 ARG HBx A 73 LEU HA 1.0 1.8 4.98 819 598 A 73 LEU HD1% A 50 ARG HBy 1.0 1.8 4.50 820 598 A 73 LEU HD1% A 50 ARG HBx 1.0 1.8 4.50 821 599 A 73 LEU HD2% A 50 ARG HBy 1.0 1.8 4.83 822 599 A 73 LEU HD2% A 50 ARG HBx 1.0 1.8 4.83 823 600 A 50 ARG HE A 50 ARG HBy 1.0 1.8 5.37 824 601 A 50 ARG HBx A 50 ARG HE 1.0 1.8 5.37 825 602 A 50 ARG HDy A 73 LEU HBx 1.0 1.8 4.84 826 602 A 50 ARG HDx A 73 LEU HBx 1.0 1.8 4.84 827 602 A 73 LEU HBy A 50 ARG HDx 1.0 1.8 4.84 828 602 A 73 LEU HBy A 50 ARG HDy 1.0 1.8 4.84 829 603 A 73 LEU HD1% A 50 ARG HDx 1.0 1.8 4.42 830 603 A 73 LEU HD1% A 50 ARG HDy 1.0 1.8 4.42 831 604 A 73 LEU HD2% A 50 ARG HDx 1.0 1.8 5.00 832 604 A 73 LEU HD2% A 50 ARG HDy 1.0 1.8 5.00 833 605 A 73 LEU HD1% A 50 ARG HE 1.0 1.8 4.69 834 606 A 73 LEU HD2% A 50 ARG HE 1.0 1.8 6.00 835 607 A 50 ARG HE A 50 ARG HGx 1.0 1.8 4.55 836 607 A 50 ARG HE A 50 ARG HGy 1.0 1.8 4.55 837 608 A 98 TYR HD% A 50 ARG HGx 1.0 1.8 5.18 838 608 A 50 ARG HGy A 98 TYR HD% 1.0 1.8 5.18 839 609 A 73 LEU HD1% A 50 ARG H 1.0 1.8 6.00 840 610 A 97 VAL HG1% A 50 ARG H 1.0 1.8 5.46 841 611 A 98 TYR H A 50 ARG H 1.0 1.8 4.74 842 612 A 99 PHE HA A 50 ARG H 1.0 1.8 5.32 843 613 A 51 TYR HA A 97 VAL HA 1.0 1.8 4.31 844 614 A 97 VAL HG2% A 51 TYR HA 1.0 1.8 5.06 845 615 A 98 TYR HD% A 51 TYR HA 1.0 1.8 4.27 846 616 A 51 TYR HA A 98 TYR HE% 1.0 1.8 5.22 847 617 A 98 TYR H A 51 TYR HA 1.0 1.8 4.86 848 618 A 52 PHE H A 51 TYR HBy 1.0 1.8 4.05 849 618 A 51 TYR HBx A 52 PHE H 1.0 1.8 4.05 850 619 A 60 LEU HD2% A 51 TYR HBy 1.0 1.8 3.93 851 619 A 51 TYR HBx A 60 LEU HD2% 1.0 1.8 3.93 852 620 A 95 VAL HG1% A 51 TYR HBy 1.0 1.8 4.43 853 620 A 51 TYR HBx A 95 VAL HG1% 1.0 1.8 4.43 854 621 A 97 VAL HG1% A 51 TYR HBy 1.0 1.8 5.00 855 621 A 97 VAL HG1% A 51 TYR HBx 1.0 1.8 5.00 856 622 A 98 TYR HD% A 51 TYR HBy 1.0 1.8 5.15 857 622 A 98 TYR HD% A 51 TYR HBx 1.0 1.8 5.15 858 623 A 97 VAL HA A 51 TYR HBy 1.0 1.8 5.36 859 624 A 97 VAL HA A 51 TYR HBx 1.0 1.8 5.36 860 625 A 51 TYR H A 68 LEU HBx 1.0 1.8 6.05 861 625 A 51 TYR H A 68 LEU HBy 1.0 1.8 6.05 862 626 A 52 PHE HA A 52 PHE HD% 1.0 1.8 4.40 863 627 A 52 PHE HA A 53 GLN H 1.0 1.8 3.78 864 628 A 98 TYR HE% A 52 PHE HBx 1.0 1.8 3.99 865 628 A 98 TYR HE% A 52 PHE HBy 1.0 1.8 3.99 866 629 A 52 PHE HD% A 53 GLN H 1.0 1.8 4.59 867 630 A 52 PHE HD% A 54 PRO HDx 1.0 1.8 4.29 868 630 A 52 PHE HD% A 54 PRO HDy 1.0 1.8 4.29 869 631 A 52 PHE HD% A 54 PRO HGy 1.0 1.8 4.95 870 632 A 52 PHE HD% A 54 PRO HGx 1.0 1.8 4.95 871 633 A 52 PHE HD% A 70 PRO HBy 1.0 1.8 5.27 872 634 A 52 PHE HD% A 70 PRO HBx 1.0 1.8 5.27 873 635 A 52 PHE H A 95 VAL HG1% 1.0 1.8 5.07 874 636 A 52 PHE H A 96 ASP HBx 1.0 1.8 5.05 875 636 A 52 PHE H A 96 ASP HBy 1.0 1.8 5.05 876 637 A 52 PHE H A 96 ASP H 1.0 1.8 4.71 877 638 A 97 VAL HA A 52 PHE H 1.0 1.8 4.91 878 639 A 97 VAL HG2% A 52 PHE H 1.0 1.8 5.65 879 640 A 98 TYR HD% A 52 PHE H 1.0 1.8 4.75 880 641 A 98 TYR HE% A 52 PHE H 1.0 1.8 5.21 881 642 A 53 GLN HA A 55 ASP H 1.0 1.8 4.85 882 643 A 53 GLN HA A 95 VAL HA 1.0 1.8 4.92 883 644 A 96 ASP H A 53 GLN HA 1.0 1.8 5.14 884 645 A 53 GLN H A 53 GLN HBy 1.0 1.8 4.29 885 646 A 53 GLN H A 53 GLN HBx 1.0 1.8 4.29 886 647 A 53 GLN H A 53 GLN HGx 1.0 1.8 5.29 887 647 A 53 GLN H A 53 GLN HGy 1.0 1.8 5.29 888 648 A 55 ASP H A 54 PRO HBx 1.0 1.8 4.32 889 648 A 55 ASP H A 54 PRO HBy 1.0 1.8 4.32 890 649 A 55 ASP H A 54 PRO HDx 1.0 1.8 4.21 891 649 A 54 PRO HDy A 55 ASP H 1.0 1.8 4.21 892 650 A 96 ASP H A 54 PRO HDx 1.0 1.8 5.00 893 650 A 54 PRO HDy A 96 ASP H 1.0 1.8 5.00 894 651 A 94 THR HG2% A 54 PRO HGy 1.0 1.8 4.38 895 651 A 54 PRO HGx A 94 THR HG2% 1.0 1.8 4.38 896 652 A 55 ASP H A 54 PRO HGy 1.0 1.8 4.54 897 653 A 94 THR HB A 54 PRO HGy 1.0 1.8 5.00 898 654 A 55 ASP H A 54 PRO HGx 1.0 1.8 4.54 899 655 A 54 PRO HGx A 94 THR HB 1.0 1.8 5.00 900 656 A 55 ASP HA A 56 GLY H 1.0 1.8 3.33 901 657 A 56 GLY H A 55 ASP HBx 1.0 1.8 4.39 902 657 A 56 GLY H A 55 ASP HBy 1.0 1.8 4.39 903 658 A 94 THR HB A 55 ASP HBx 1.0 1.8 5.00 904 658 A 94 THR HB A 55 ASP HBy 1.0 1.8 5.00 905 659 A 94 THR H A 55 ASP HBx 1.0 1.8 4.40 906 659 A 55 ASP HBy A 94 THR H 1.0 1.8 4.40 907 660 A 55 ASP H A 56 GLY H 1.0 1.8 5.12 908 661 A 55 ASP H A 94 THR HB 1.0 1.8 4.31 909 662 A 55 ASP H A 94 THR HG2% 1.0 1.8 5.42 910 663 A 55 ASP H A 94 THR H 1.0 1.8 5.30 911 664 A 56 GLY H A 57 ALA H 1.0 1.8 4.96 912 665 A 57 ALA HA A 58 GLY H 1.0 1.8 2.94 913 666 A 58 GLY H A 57 ALA HB% 1.0 1.8 3.54 914 667 A 57 ALA HB% A 89 SER HBy 1.0 1.8 4.13 915 668 A 89 SER HBx A 57 ALA HB% 1.0 1.8 4.13 916 669 A 57 ALA H A 58 GLY H 1.0 1.8 4.82 917 670 A 57 ALA H A 89 SER HBy 1.0 1.8 5.00 918 670 A 89 SER HBx A 57 ALA H 1.0 1.8 5.00 919 671 A 85 TYR HE% A 58 GLY HAy 1.0 1.8 6.05 920 672 A 88 ALA HB% A 58 GLY HAy 1.0 1.8 4.26 921 673 A 58 GLY HAy A 88 ALA H 1.0 1.8 4.99 922 674 A 85 TYR HE% A 58 GLY HAx 1.0 1.8 6.05 923 675 A 88 ALA HB% A 58 GLY HAx 1.0 1.8 4.26 924 676 A 88 ALA H A 58 GLY HAx 1.0 1.8 4.99 925 677 A 58 GLY H A 59 THR H 1.0 1.8 4.71 926 678 A 85 TYR HE% A 58 GLY H 1.0 1.8 6.03 927 679 A 88 ALA HB% A 58 GLY H 1.0 1.8 4.99 928 680 A 58 GLY H A 88 ALA H 1.0 1.8 5.04 929 681 A 59 THR HA A 59 THR HG2% 1.0 1.8 3.34 930 682 A 59 THR HA A 60 LEU H 1.0 1.8 3.69 931 683 A 60 LEU H A 59 THR HB 1.0 1.8 4.75 932 684 A 59 THR HB A 86 THR HB 1.0 1.8 4.15 933 685 A 86 THR HG2% A 59 THR HB 1.0 1.8 4.16 934 686 A 86 THR H A 59 THR HB 1.0 1.8 4.86 935 687 A 59 THR HG2% A 60 LEU H 1.0 1.8 3.64 936 688 A 59 THR HG2% A 61 LYS HDx 1.0 1.8 4.75 937 688 A 59 THR HG2% A 61 LYS HDy 1.0 1.8 4.75 938 689 A 59 THR HG2% A 61 LYS HEx 1.0 1.8 3.63 939 689 A 59 THR HG2% A 61 LYS HEy 1.0 1.8 3.63 940 690 A 59 THR HG2% A 86 THR HB 1.0 1.8 4.57 941 691 A 86 THR HG2% A 59 THR HG2% 1.0 1.8 5.95 942 692 A 86 THR H A 59 THR HG2% 1.0 1.8 4.99 943 693 A 59 THR H A 59 THR HB 1.0 1.8 4.14 944 694 A 59 THR H A 59 THR HG2% 1.0 1.8 4.80 945 695 A 59 THR H A 60 LEU H 1.0 1.8 5.19 946 696 A 59 THR H A 86 THR HB 1.0 1.8 4.76 947 697 A 86 THR HG2% A 59 THR H 1.0 1.8 5.05 948 698 A 86 THR H A 59 THR H 1.0 1.8 4.51 949 699 A 88 ALA HB% A 59 THR H 1.0 1.8 4.94 950 700 A 88 ALA H A 59 THR H 1.0 1.8 5.20 951 701 A 60 LEU HD1% A 60 LEU HA 1.0 1.8 3.45 952 702 A 60 LEU HD2% A 60 LEU HA 1.0 1.8 4.86 953 703 A 60 LEU HA A 61 LYS H 1.0 1.8 3.58 954 704 A 85 TYR HA A 60 LEU HA 1.0 1.8 4.61 955 705 A 85 TYR HD% A 60 LEU HA 1.0 1.8 5.91 956 706 A 86 THR H A 60 LEU HA 1.0 1.8 4.77 957 707 A 67 VAL HG1% A 60 LEU HBy 1.0 1.8 5.20 958 707 A 60 LEU HBx A 67 VAL HG1% 1.0 1.8 5.20 959 708 A 60 LEU HD2% A 60 LEU HBy 1.0 1.8 4.50 960 709 A 60 LEU HD2% A 60 LEU HBx 1.0 1.8 4.50 961 710 A 60 LEU HD1% A 61 LYS H 1.0 1.8 3.83 962 711 A 60 LEU HD1% A 83 LEU HBy 1.0 1.8 4.44 963 711 A 60 LEU HD1% A 83 LEU HBx 1.0 1.8 4.44 964 712 A 60 LEU HD1% A 84 TYR H 1.0 1.8 4.36 965 713 A 85 TYR HA A 60 LEU HD1% 1.0 1.8 3.86 966 714 A 60 LEU HD1% A 85 TYR HBy 1.0 1.8 5.24 967 715 A 85 TYR HBx A 60 LEU HD1% 1.0 1.8 5.24 968 716 A 85 TYR HD% A 60 LEU HD1% 1.0 1.8 3.94 969 717 A 85 TYR HE% A 60 LEU HD1% 1.0 1.8 5.05 970 718 A 85 TYR H A 60 LEU HD1% 1.0 1.8 4.81 971 719 A 86 THR H A 60 LEU HD1% 1.0 1.8 4.60 972 720 A 60 LEU HD2% A 61 LYS H 1.0 1.8 4.97 973 721 A 68 LEU HD1% A 60 LEU HD2% 1.0 1.8 4.10 974 722 A 83 LEU HD1% A 60 LEU HD2% 1.0 1.8 4.26 975 723 A 83 LEU HD2% A 60 LEU HD2% 1.0 1.8 5.26 976 724 A 85 TYR HD% A 60 LEU HD2% 1.0 1.8 6.02 977 725 A 85 TYR HE% A 60 LEU HD2% 1.0 1.8 5.40 978 726 A 60 LEU HD2% A 95 VAL HG1% 1.0 1.8 3.87 979 727 A 97 VAL HG2% A 60 LEU HD2% 1.0 1.8 4.41 980 728 A 60 LEU HG A 61 LYS HA 1.0 1.8 6.05 981 729 A 61 LYS H A 60 LEU HG 1.0 1.8 4.23 982 730 A 60 LEU HD1% A 60 LEU H 1.0 1.8 5.17 983 731 A 60 LEU HD2% A 60 LEU H 1.0 1.8 5.33 984 732 A 60 LEU H A 67 VAL HG1% 1.0 1.8 5.19 985 733 A 61 LYS HA A 61 LYS HDx 1.0 1.8 5.17 986 733 A 61 LYS HDy A 61 LYS HA 1.0 1.8 5.17 987 734 A 61 LYS HA A 62 MET H 1.0 1.8 3.61 988 735 A 61 LYS HA A 67 VAL HA 1.0 1.8 4.04 989 736 A 67 VAL HG1% A 61 LYS HA 1.0 1.8 4.82 990 737 A 61 LYS HA A 67 VAL HG2% 1.0 1.8 4.21 991 738 A 68 LEU HD1% A 61 LYS HA 1.0 1.8 3.92 992 739 A 61 LYS HA A 68 LEU HG 1.0 1.8 5.49 993 740 A 61 LYS HA A 68 LEU H 1.0 1.8 4.18 994 741 A 61 LYS HBx A 61 LYS HEx 1.0 1.8 4.50 995 741 A 61 LYS HBy A 61 LYS HEx 1.0 1.8 4.50 996 741 A 61 LYS HEy A 61 LYS HBy 1.0 1.8 4.50 997 741 A 61 LYS HEy A 61 LYS HBx 1.0 1.8 4.50 998 742 A 62 MET H A 61 LYS HBy 1.0 1.8 3.92 999 742 A 62 MET H A 61 LYS HBx 1.0 1.8 3.92 1000 743 A 67 VAL HA A 61 LYS HBy 1.0 1.8 4.59 1001 743 A 67 VAL HA A 61 LYS HBx 1.0 1.8 4.59 1002 744 A 61 LYS HBx A 84 TYR HBx 1.0 1.8 5.00 1003 744 A 61 LYS HBy A 84 TYR HBx 1.0 1.8 5.00 1004 744 A 84 TYR HBy A 61 LYS HBy 1.0 1.8 5.00 1005 744 A 84 TYR HBy A 61 LYS HBx 1.0 1.8 5.00 1006 745 A 84 TYR H A 61 LYS HBy 1.0 1.8 5.47 1007 745 A 84 TYR H A 61 LYS HBx 1.0 1.8 5.47 1008 746 A 67 VAL HG2% A 61 LYS HBy 1.0 1.8 4.66 1009 747 A 67 VAL HG2% A 61 LYS HBx 1.0 1.8 4.66 1010 748 A 62 MET H A 61 LYS HDx 1.0 1.8 5.44 1011 748 A 61 LYS HDy A 62 MET H 1.0 1.8 5.44 1012 749 A 61 LYS HDy A 65 GLY HAy 1.0 1.8 5.00 1013 749 A 61 LYS HDx A 65 GLY HAy 1.0 1.8 5.00 1014 750 A 65 GLY HAx A 61 LYS HDx 1.0 1.8 5.00 1015 750 A 61 LYS HDy A 65 GLY HAx 1.0 1.8 5.00 1016 751 A 67 VAL HA A 61 LYS HDx 1.0 1.8 4.73 1017 751 A 61 LYS HDy A 67 VAL HA 1.0 1.8 4.73 1018 752 A 67 VAL HG2% A 61 LYS HDx 1.0 1.8 4.00 1019 752 A 61 LYS HDy A 67 VAL HG2% 1.0 1.8 4.00 1020 753 A 67 VAL H A 61 LYS HDx 1.0 1.8 5.75 1021 753 A 61 LYS HDy A 67 VAL H 1.0 1.8 5.75 1022 754 A 67 VAL HG2% A 61 LYS HEx 1.0 1.8 3.82 1023 754 A 61 LYS HEy A 67 VAL HG2% 1.0 1.8 3.82 1024 755 A 62 MET H A 61 LYS HGy 1.0 1.8 4.49 1025 755 A 62 MET H A 61 LYS HGx 1.0 1.8 4.49 1026 756 A 67 VAL HA A 61 LYS HGy 1.0 1.8 5.00 1027 756 A 67 VAL HA A 61 LYS HGx 1.0 1.8 5.00 1028 757 A 67 VAL H A 61 LYS HGy 1.0 1.8 5.06 1029 757 A 67 VAL H A 61 LYS HGx 1.0 1.8 5.06 1030 758 A 68 LEU H A 61 LYS HGy 1.0 1.8 5.08 1031 758 A 68 LEU H A 61 LYS HGx 1.0 1.8 5.08 1032 759 A 67 VAL HG2% A 61 LYS HGy 1.0 1.8 4.13 1033 760 A 67 VAL HG2% A 61 LYS HGx 1.0 1.8 4.13 1034 761 A 61 LYS H A 61 LYS HDx 1.0 1.8 5.97 1035 761 A 61 LYS HDy A 61 LYS H 1.0 1.8 5.97 1036 762 A 61 LYS H A 61 LYS HGy 1.0 1.8 4.43 1037 762 A 61 LYS H A 61 LYS HGx 1.0 1.8 4.43 1038 763 A 61 LYS H A 67 VAL HG2% 1.0 1.8 6.05 1039 764 A 68 LEU HD1% A 61 LYS H 1.0 1.8 5.07 1040 765 A 83 LEU HD2% A 61 LYS H 1.0 1.8 6.05 1041 766 A 61 LYS H A 84 TYR HBx 1.0 1.8 4.87 1042 766 A 84 TYR HBy A 61 LYS H 1.0 1.8 4.87 1043 767 A 61 LYS H A 84 TYR H 1.0 1.8 4.06 1044 768 A 85 TYR HA A 61 LYS H 1.0 1.8 4.64 1045 769 A 62 MET HE% A 62 MET HA 1.0 1.8 5.04 1046 770 A 62 MET HA A 62 MET HGy 1.0 1.8 4.48 1047 771 A 62 MET HA A 62 MET HGx 1.0 1.8 4.48 1048 772 A 62 MET HA A 63 SER HA 1.0 1.8 4.96 1049 773 A 62 MET HA A 63 SER H 1.0 1.8 3.64 1050 774 A 68 LEU HD1% A 62 MET HA 1.0 1.8 4.42 1051 775 A 62 MET HA A 83 LEU HA 1.0 1.8 4.20 1052 776 A 62 MET HA A 83 LEU HBy 1.0 1.8 4.92 1053 776 A 83 LEU HBx A 62 MET HA 1.0 1.8 4.92 1054 777 A 83 LEU HD1% A 62 MET HA 1.0 1.8 5.21 1055 778 A 83 LEU HD2% A 62 MET HA 1.0 1.8 3.58 1056 779 A 84 TYR H A 62 MET HA 1.0 1.8 4.25 1057 780 A 62 MET HE% A 62 MET HBy 1.0 1.8 3.29 1058 780 A 62 MET HE% A 62 MET HBx 1.0 1.8 3.29 1059 781 A 63 SER HA A 62 MET HBy 1.0 1.8 5.95 1060 781 A 62 MET HBx A 63 SER HA 1.0 1.8 5.95 1061 782 A 66 THR H A 62 MET HBy 1.0 1.8 5.00 1062 782 A 62 MET HBx A 66 THR H 1.0 1.8 5.00 1063 783 A 83 LEU HD2% A 62 MET HBy 1.0 1.8 4.83 1064 783 A 83 LEU HD2% A 62 MET HBx 1.0 1.8 4.83 1065 784 A 63 SER H A 62 MET HBy 1.0 1.8 4.83 1066 785 A 64 ASP H A 62 MET HBy 1.0 1.8 4.48 1067 786 A 66 THR HB A 62 MET HBy 1.0 1.8 4.93 1068 787 A 66 THR HG2% A 62 MET HBy 1.0 1.8 5.27 1069 788 A 68 LEU HD1% A 62 MET HBy 1.0 1.8 4.42 1070 789 A 62 MET HBx A 63 SER H 1.0 1.8 4.83 1071 790 A 62 MET HBx A 64 ASP H 1.0 1.8 4.48 1072 791 A 62 MET HBx A 66 THR HB 1.0 1.8 4.93 1073 792 A 62 MET HBx A 66 THR HG2% 1.0 1.8 5.27 1074 793 A 68 LEU HD1% A 62 MET HBx 1.0 1.8 4.42 1075 794 A 62 MET HE% A 63 SER H 1.0 1.8 5.03 1076 795 A 62 MET HE% A 64 ASP H 1.0 1.8 4.74 1077 796 A 62 MET HE% A 66 THR HA 1.0 1.8 5.68 1078 797 A 62 MET HE% A 66 THR HB 1.0 1.8 3.32 1079 798 A 62 MET HE% A 66 THR HG2% 1.0 1.8 3.09 1080 799 A 62 MET HE% A 68 LEU HD1% 1.0 1.8 4.00 1081 800 A 62 MET HE% A 68 LEU HD2% 1.0 1.8 3.25 1082 801 A 62 MET HE% A 74 TYR HBy 1.0 1.8 4.60 1083 801 A 62 MET HE% A 74 TYR HBx 1.0 1.8 4.60 1084 802 A 62 MET HE% A 74 TYR HD% 1.0 1.8 4.57 1085 803 A 62 MET HE% A 76 LEU HA 1.0 1.8 4.47 1086 804 A 76 LEU HD2% A 62 MET HE% 1.0 1.8 3.94 1087 805 A 62 MET HE% A 83 LEU HD2% 1.0 1.8 4.81 1088 806 A 64 ASP H A 62 MET HGy 1.0 1.8 4.76 1089 806 A 64 ASP H A 62 MET HGx 1.0 1.8 4.76 1090 807 A 66 THR HG2% A 62 MET HGy 1.0 1.8 5.42 1091 807 A 66 THR HG2% A 62 MET HGx 1.0 1.8 5.42 1092 808 A 76 LEU HD2% A 62 MET HGy 1.0 1.8 4.65 1093 808 A 76 LEU HD2% A 62 MET HGx 1.0 1.8 4.65 1094 809 A 83 LEU HA A 62 MET HGy 1.0 1.8 5.31 1095 809 A 83 LEU HA A 62 MET HGx 1.0 1.8 5.31 1096 810 A 62 MET HE% A 62 MET HGy 1.0 1.8 4.10 1097 811 A 66 THR HB A 62 MET HGy 1.0 1.8 5.71 1098 812 A 68 LEU HD1% A 62 MET HGy 1.0 1.8 3.98 1099 813 A 68 LEU HD2% A 62 MET HGy 1.0 1.8 5.43 1100 814 A 83 LEU HD2% A 62 MET HGy 1.0 1.8 4.08 1101 815 A 62 MET HE% A 62 MET HGx 1.0 1.8 4.10 1102 816 A 66 THR HB A 62 MET HGx 1.0 1.8 5.71 1103 817 A 68 LEU HD1% A 62 MET HGx 1.0 1.8 5.00 1104 818 A 68 LEU HD2% A 62 MET HGx 1.0 1.8 5.43 1105 819 A 83 LEU HD2% A 62 MET HGx 1.0 1.8 4.08 1106 820 A 62 MET H A 62 MET HBy 1.0 1.8 4.22 1107 821 A 62 MET HBx A 62 MET H 1.0 1.8 4.22 1108 822 A 62 MET HE% A 62 MET H 1.0 1.8 5.00 1109 823 A 62 MET H A 62 MET HGy 1.0 1.8 4.97 1110 824 A 62 MET H A 62 MET HGx 1.0 1.8 4.97 1111 825 A 62 MET H A 63 SER H 1.0 1.8 5.08 1112 826 A 62 MET H A 65 GLY H 1.0 1.8 4.91 1113 827 A 62 MET H A 66 THR HB 1.0 1.8 4.91 1114 828 A 62 MET H A 66 THR HG2% 1.0 1.8 5.30 1115 829 A 62 MET H A 66 THR H 1.0 1.8 4.37 1116 830 A 62 MET H A 67 VAL HA 1.0 1.8 4.55 1117 831 A 62 MET H A 67 VAL HG2% 1.0 1.8 6.05 1118 832 A 68 LEU HD1% A 62 MET H 1.0 1.8 4.31 1119 833 A 62 MET H A 68 LEU HG 1.0 1.8 4.96 1120 834 A 62 MET H A 68 LEU H 1.0 1.8 5.21 1121 835 A 83 LEU HD2% A 62 MET H 1.0 1.8 6.03 1122 836 A 63 SER HA A 65 GLY H 1.0 1.8 4.27 1123 837 A 63 SER HA A 82 ARG H 1.0 1.8 5.21 1124 838 A 63 SER HA A 84 TYR HBx 1.0 1.8 6.05 1125 838 A 84 TYR HBy A 63 SER HA 1.0 1.8 6.05 1126 839 A 84 TYR HD% A 63 SER HA 1.0 1.8 4.98 1127 840 A 84 TYR HE% A 63 SER HA 1.0 1.8 3.96 1128 841 A 64 ASP H A 63 SER HBx 1.0 1.8 4.50 1129 841 A 64 ASP H A 63 SER HBy 1.0 1.8 4.50 1130 842 A 82 ARG HA A 63 SER HBx 1.0 1.8 5.31 1131 842 A 82 ARG HA A 63 SER HBy 1.0 1.8 5.31 1132 843 A 63 SER HBx A 82 ARG HBx 1.0 1.8 4.82 1133 843 A 63 SER HBy A 82 ARG HBx 1.0 1.8 4.82 1134 843 A 82 ARG HBy A 63 SER HBx 1.0 1.8 4.82 1135 843 A 82 ARG HBy A 63 SER HBy 1.0 1.8 4.82 1136 844 A 82 ARG H A 63 SER HBx 1.0 1.8 4.37 1137 844 A 82 ARG H A 63 SER HBy 1.0 1.8 4.37 1138 845 A 84 TYR HE% A 63 SER HBx 1.0 1.8 4.40 1139 845 A 84 TYR HE% A 63 SER HBy 1.0 1.8 4.40 1140 846 A 63 SER H A 63 SER HBx 1.0 1.8 3.85 1141 846 A 63 SER H A 63 SER HBy 1.0 1.8 3.85 1142 847 A 63 SER H A 64 ASP H 1.0 1.8 4.31 1143 848 A 63 SER H A 82 ARG HBx 1.0 1.8 5.71 1144 848 A 82 ARG HBy A 63 SER H 1.0 1.8 5.71 1145 849 A 63 SER H A 82 ARG H 1.0 1.8 5.17 1146 850 A 63 SER H A 83 LEU HA 1.0 1.8 4.86 1147 851 A 83 LEU HD2% A 63 SER H 1.0 1.8 4.11 1148 852 A 84 TYR HE% A 63 SER H 1.0 1.8 5.47 1149 853 A 65 GLY H A 64 ASP HBx 1.0 1.8 4.37 1150 853 A 65 GLY H A 64 ASP HBy 1.0 1.8 4.37 1151 854 A 64 ASP H A 64 ASP HBx 1.0 1.8 3.53 1152 854 A 64 ASP H A 64 ASP HBy 1.0 1.8 3.53 1153 855 A 64 ASP H A 65 GLY HAy 1.0 1.8 5.01 1154 855 A 64 ASP H A 65 GLY HAx 1.0 1.8 5.01 1155 856 A 64 ASP H A 65 GLY H 1.0 1.8 3.40 1156 857 A 66 THR H A 65 GLY H 1.0 1.8 3.43 1157 858 A 66 THR HG2% A 66 THR HA 1.0 1.8 3.28 1158 859 A 66 THR HA A 67 VAL HB 1.0 1.8 6.01 1159 860 A 67 VAL H A 66 THR HA 1.0 1.8 3.16 1160 861 A 67 VAL H A 66 THR HB 1.0 1.8 4.86 1161 862 A 68 LEU HD1% A 66 THR HG2% 1.0 1.8 5.00 1162 863 A 68 LEU HD2% A 66 THR HG2% 1.0 1.8 3.85 1163 864 A 74 TYR HD% A 66 THR HG2% 1.0 1.8 4.15 1164 865 A 66 THR HG2% A 74 TYR HE% 1.0 1.8 4.48 1165 866 A 66 THR H A 66 THR HB 1.0 1.8 3.72 1166 867 A 66 THR H A 66 THR HG2% 1.0 1.8 4.70 1167 868 A 67 VAL H A 66 THR H 1.0 1.8 5.37 1168 869 A 67 VAL HG1% A 67 VAL HA 1.0 1.8 3.60 1169 870 A 67 VAL HA A 67 VAL HG2% 1.0 1.8 4.00 1170 871 A 68 LEU HD1% A 67 VAL HA 1.0 1.8 5.00 1171 872 A 67 VAL HA A 68 LEU H 1.0 1.8 3.64 1172 873 A 68 LEU H A 67 VAL HB 1.0 1.8 4.96 1173 874 A 67 VAL HB A 69 LEU HD2% 1.0 1.8 5.49 1174 875 A 67 VAL HG1% A 68 LEU H 1.0 1.8 3.74 1175 876 A 67 VAL H A 67 VAL HB 1.0 1.8 3.45 1176 877 A 67 VAL HG2% A 67 VAL H 1.0 1.8 3.08 1177 878 A 68 LEU H A 67 VAL H 1.0 1.8 5.90 1178 879 A 68 LEU HD1% A 68 LEU HA 1.0 1.8 4.47 1179 880 A 68 LEU HD2% A 68 LEU HA 1.0 1.8 4.10 1180 881 A 68 LEU HG A 68 LEU HA 1.0 1.8 4.21 1181 882 A 74 TYR HE% A 68 LEU HA 1.0 1.8 4.54 1182 883 A 68 LEU HD2% A 68 LEU HBx 1.0 1.8 3.74 1183 883 A 68 LEU HD2% A 68 LEU HBy 1.0 1.8 3.74 1184 884 A 68 LEU HD1% A 83 LEU HD2% 1.0 1.8 3.34 1185 885 A 68 LEU HD2% A 69 LEU H 1.0 1.8 4.33 1186 886 A 68 LEU HD2% A 74 TYR HBy 1.0 1.8 5.69 1187 887 A 68 LEU HD2% A 74 TYR HBx 1.0 1.8 5.69 1188 888 A 68 LEU HD2% A 74 TYR HD% 1.0 1.8 3.81 1189 889 A 68 LEU HD2% A 74 TYR HE% 1.0 1.8 4.26 1190 890 A 74 TYR HD% A 68 LEU HG 1.0 1.8 5.19 1191 891 A 68 LEU HG A 74 TYR HE% 1.0 1.8 6.00 1192 892 A 68 LEU HD1% A 68 LEU H 1.0 1.8 4.80 1193 893 A 68 LEU HD2% A 68 LEU H 1.0 1.8 4.55 1194 894 A 68 LEU HG A 68 LEU H 1.0 1.8 4.04 1195 895 A 68 LEU H A 69 LEU HD2% 1.0 1.8 5.94 1196 896 A 68 LEU H A 69 LEU H 1.0 1.8 5.96 1197 897 A 69 LEU HA A 69 LEU HD1% 1.0 1.8 4.70 1198 898 A 69 LEU HD2% A 69 LEU HA 1.0 1.8 3.20 1199 899 A 69 LEU HA A 70 PRO HDx 1.0 1.8 3.59 1200 899 A 69 LEU HA A 70 PRO HDy 1.0 1.8 3.59 1201 900 A 69 LEU HD1% A 69 LEU HBx 1.0 1.8 3.13 1202 900 A 69 LEU HD1% A 69 LEU HBy 1.0 1.8 3.13 1203 901 A 69 LEU HD2% A 69 LEU HBx 1.0 1.8 3.49 1204 901 A 69 LEU HD2% A 69 LEU HBy 1.0 1.8 3.49 1205 902 A 69 LEU HBx A 70 PRO HDx 1.0 1.8 4.13 1206 902 A 69 LEU HBy A 70 PRO HDx 1.0 1.8 4.13 1207 902 A 70 PRO HDy A 69 LEU HBx 1.0 1.8 4.13 1208 902 A 70 PRO HDy A 69 LEU HBy 1.0 1.8 4.13 1209 903 A 72 ASP H A 69 LEU HBx 1.0 1.8 4.60 1210 903 A 69 LEU HBy A 72 ASP H 1.0 1.8 4.60 1211 904 A 69 LEU HD1% A 70 PRO HDx 1.0 1.8 4.37 1212 904 A 69 LEU HD1% A 70 PRO HDy 1.0 1.8 4.37 1213 905 A 69 LEU HD1% A 72 ASP H 1.0 1.8 6.05 1214 906 A 69 LEU HD2% A 70 PRO HDx 1.0 1.8 4.09 1215 906 A 69 LEU HD2% A 70 PRO HDy 1.0 1.8 4.09 1216 907 A 69 LEU HD2% A 70 PRO HGx 1.0 1.8 5.89 1217 907 A 69 LEU HD2% A 70 PRO HGy 1.0 1.8 5.89 1218 908 A 69 LEU H A 69 LEU HD1% 1.0 1.8 5.00 1219 909 A 69 LEU HD2% A 69 LEU H 1.0 1.8 4.60 1220 910 A 69 LEU H A 69 LEU HG 1.0 1.8 4.68 1221 911 A 74 TYR HE% A 69 LEU H 1.0 1.8 4.51 1222 912 A 72 ASP H A 70 PRO HA 1.0 1.8 4.60 1223 913 A 71 ASN H A 70 PRO HBy 1.0 1.8 4.48 1224 913 A 70 PRO HBx A 71 ASN H 1.0 1.8 4.48 1225 914 A 71 ASN HBx A 71 ASN HD2x 1.0 1.8 3.45 1226 914 A 71 ASN HBy A 71 ASN HD2x 1.0 1.8 3.45 1227 914 A 71 ASN HD2y A 71 ASN HBx 1.0 1.8 3.45 1228 914 A 71 ASN HBy A 71 ASN HD2y 1.0 1.8 3.45 1229 915 A 72 ASP H A 71 ASN HBx 1.0 1.8 4.35 1230 915 A 72 ASP H A 71 ASN HBy 1.0 1.8 4.35 1231 916 A 72 ASP H A 71 ASN H 1.0 1.8 4.40 1232 917 A 72 ASP HA A 73 LEU HBx 1.0 1.8 4.62 1233 917 A 73 LEU HBy A 72 ASP HA 1.0 1.8 4.62 1234 918 A 72 ASP HA A 73 LEU H 1.0 1.8 3.79 1235 919 A 73 LEU H A 72 ASP HBx 1.0 1.8 3.79 1236 919 A 73 LEU H A 72 ASP HBy 1.0 1.8 3.79 1237 920 A 74 TYR HE% A 72 ASP HBx 1.0 1.8 4.88 1238 920 A 74 TYR HE% A 72 ASP HBy 1.0 1.8 4.88 1239 921 A 72 ASP H A 72 ASP HBx 1.0 1.8 3.39 1240 921 A 72 ASP H A 72 ASP HBy 1.0 1.8 3.39 1241 922 A 72 ASP H A 73 LEU H 1.0 1.8 4.96 1242 923 A 73 LEU HD1% A 73 LEU HA 1.0 1.8 4.30 1243 924 A 73 LEU HD2% A 73 LEU HA 1.0 1.8 4.80 1244 925 A 74 TYR H A 73 LEU HA 1.0 1.8 3.72 1245 926 A 73 LEU HD1% A 73 LEU HBx 1.0 1.8 3.39 1246 926 A 73 LEU HD1% A 73 LEU HBy 1.0 1.8 3.39 1247 927 A 73 LEU HD2% A 73 LEU HBx 1.0 1.8 3.00 1248 927 A 73 LEU HD2% A 73 LEU HBy 1.0 1.8 3.00 1249 928 A 74 TYR H A 73 LEU HBx 1.0 1.8 4.31 1250 928 A 73 LEU HBy A 74 TYR H 1.0 1.8 4.31 1251 929 A 73 LEU HD1% A 74 TYR H 1.0 1.8 5.00 1252 930 A 73 LEU HD1% A 100 GLN HE2y 1.0 1.8 5.04 1253 931 A 73 LEU HD1% A 100 GLN HE2x 1.0 1.8 5.47 1254 932 A 100 GLN H A 73 LEU HD1% 1.0 1.8 5.70 1255 933 A 73 LEU HD2% A 100 GLN HE2y 1.0 1.8 4.92 1256 934 A 73 LEU HD2% A 100 GLN HE2x 1.0 1.8 4.37 1257 935 A 73 LEU HG A 74 TYR H 1.0 1.8 5.50 1258 936 A 73 LEU H A 73 LEU HBx 1.0 1.8 3.25 1259 936 A 73 LEU HBy A 73 LEU H 1.0 1.8 3.25 1260 937 A 73 LEU HD1% A 73 LEU H 1.0 1.8 5.30 1261 938 A 74 TYR HE% A 73 LEU H 1.0 1.8 6.00 1262 939 A 74 TYR H A 73 LEU H 1.0 1.8 5.02 1263 940 A 74 TYR HA A 74 TYR HD% 1.0 1.8 4.40 1264 941 A 74 TYR HA A 75 PRO HDx 1.0 1.8 3.53 1265 941 A 74 TYR HA A 75 PRO HDy 1.0 1.8 3.53 1266 942 A 74 TYR HA A 75 PRO HGx 1.0 1.8 4.49 1267 942 A 74 TYR HA A 75 PRO HGy 1.0 1.8 4.49 1268 943 A 74 TYR HBy A 75 PRO HDx 1.0 1.8 4.60 1269 943 A 74 TYR HBx A 75 PRO HDx 1.0 1.8 4.60 1270 943 A 75 PRO HDy A 74 TYR HBy 1.0 1.8 4.60 1271 943 A 74 TYR HBx A 75 PRO HDy 1.0 1.8 4.60 1272 944 A 74 TYR HD% A 75 PRO HDx 1.0 1.8 4.66 1273 944 A 74 TYR HD% A 75 PRO HDy 1.0 1.8 4.66 1274 945 A 74 TYR HD% A 74 TYR H 1.0 1.8 4.13 1275 946 A 74 TYR H A 74 TYR HE% 1.0 1.8 5.79 1276 947 A 76 LEU H A 75 PRO HA 1.0 1.8 3.51 1277 948 A 75 PRO HBy A 76 LEU HBy 1.0 1.8 5.67 1278 948 A 76 LEU HBx A 75 PRO HBy 1.0 1.8 5.67 1279 948 A 75 PRO HBx A 76 LEU HBx 1.0 1.8 5.67 1280 948 A 75 PRO HBx A 76 LEU HBy 1.0 1.8 5.67 1281 949 A 76 LEU H A 75 PRO HBy 1.0 1.8 4.60 1282 950 A 76 LEU H A 75 PRO HBx 1.0 1.8 4.60 1283 951 A 76 LEU HD1% A 76 LEU HA 1.0 1.8 4.80 1284 952 A 76 LEU HD2% A 76 LEU HA 1.0 1.8 3.82 1285 953 A 76 LEU HA A 78 GLY H 1.0 1.8 5.64 1286 954 A 76 LEU HBx A 77 PRO HDy 1.0 1.8 4.53 1287 954 A 76 LEU HBy A 77 PRO HDy 1.0 1.8 4.53 1288 954 A 77 PRO HDx A 76 LEU HBy 1.0 1.8 4.53 1289 954 A 77 PRO HDx A 76 LEU HBx 1.0 1.8 4.53 1290 955 A 76 LEU HD1% A 76 LEU HBy 1.0 1.8 4.10 1291 956 A 76 LEU HD2% A 76 LEU HBy 1.0 1.8 4.29 1292 957 A 77 PRO HDx A 76 LEU HBy 1.0 1.8 5.43 1293 957 A 76 LEU HBy A 77 PRO HDy 1.0 1.8 5.43 1294 958 A 78 GLY H A 76 LEU HBy 1.0 1.8 4.88 1295 959 A 76 LEU HD1% A 76 LEU HBx 1.0 1.8 4.10 1296 960 A 76 LEU HD2% A 76 LEU HBx 1.0 1.8 4.29 1297 961 A 77 PRO HDx A 76 LEU HBx 1.0 1.8 5.43 1298 961 A 76 LEU HBx A 77 PRO HDy 1.0 1.8 5.43 1299 962 A 76 LEU HBx A 78 GLY H 1.0 1.8 4.88 1300 963 A 76 LEU HD1% A 77 PRO HDy 1.0 1.8 6.00 1301 964 A 76 LEU HD1% A 77 PRO HDx 1.0 1.8 6.00 1302 965 A 76 LEU HD1% A 78 GLY H 1.0 1.8 5.12 1303 966 A 76 LEU HD1% A 81 PHE HD% 1.0 1.8 5.16 1304 967 A 76 LEU HD1% A 99 PHE HA 1.0 1.8 5.30 1305 968 A 99 PHE HD% A 76 LEU HD1% 1.0 1.8 3.47 1306 969 A 99 PHE HE% A 76 LEU HD1% 1.0 1.8 4.95 1307 970 A 76 LEU HD1% A 100 GLN H 1.0 1.8 6.03 1308 971 A 76 LEU HD2% A 77 PRO HBy 1.0 1.8 5.97 1309 971 A 76 LEU HD2% A 77 PRO HBx 1.0 1.8 5.97 1310 972 A 76 LEU HD2% A 77 PRO HDy 1.0 1.8 4.38 1311 973 A 76 LEU HD2% A 77 PRO HDx 1.0 1.8 4.38 1312 974 A 76 LEU HD2% A 78 GLY H 1.0 1.8 4.69 1313 975 A 76 LEU HD2% A 81 PHE HD% 1.0 1.8 4.55 1314 976 A 99 PHE HD% A 76 LEU HD2% 1.0 1.8 4.42 1315 977 A 99 PHE HE% A 76 LEU HD2% 1.0 1.8 4.66 1316 978 A 76 LEU HD1% A 76 LEU H 1.0 1.8 4.70 1317 979 A 76 LEU HD2% A 76 LEU H 1.0 1.8 4.70 1318 980 A 76 LEU H A 76 LEU HG 1.0 1.8 3.51 1319 981 A 76 LEU H A 77 PRO HDy 1.0 1.8 5.39 1320 981 A 76 LEU H A 77 PRO HDx 1.0 1.8 5.39 1321 982 A 78 GLY H A 77 PRO HBy 1.0 1.8 4.54 1322 983 A 78 GLY H A 77 PRO HBx 1.0 1.8 4.54 1323 984 A 78 GLY H A 77 PRO HDy 1.0 1.8 4.36 1324 985 A 77 PRO HDx A 78 GLY H 1.0 1.8 4.36 1325 986 A 78 GLY H A 77 PRO HGx 1.0 1.8 3.67 1326 986 A 78 GLY H A 77 PRO HGy 1.0 1.8 3.67 1327 987 A 81 PHE HD% A 77 PRO HGx 1.0 1.8 5.76 1328 987 A 81 PHE HD% A 77 PRO HGy 1.0 1.8 5.76 1329 988 A 78 GLY HAy A 79 GLU H 1.0 1.8 3.60 1330 989 A 78 GLY HAy A 80 THR H 1.0 1.8 5.64 1331 990 A 79 GLU H A 78 GLY HAx 1.0 1.8 3.60 1332 991 A 80 THR H A 78 GLY HAx 1.0 1.8 5.64 1333 992 A 79 GLU HA A 78 GLY H 1.0 1.8 5.44 1334 993 A 78 GLY H A 79 GLU H 1.0 1.8 4.55 1335 994 A 78 GLY H A 80 THR H 1.0 1.8 5.82 1336 995 A 78 GLY H A 81 PHE HBx 1.0 1.8 4.60 1337 995 A 78 GLY H A 81 PHE HBy 1.0 1.8 4.60 1338 996 A 79 GLU HA A 79 GLU HGy 1.0 1.8 4.06 1339 997 A 79 GLU HA A 79 GLU HGx 1.0 1.8 4.06 1340 998 A 79 GLU HA A 80 THR H 1.0 1.8 3.92 1341 999 A 79 GLU HBy A 80 THR H 1.0 1.8 4.40 1342 1000 A 80 THR H A 79 GLU HBx 1.0 1.8 4.40 1343 1001 A 80 THR H A 79 GLU HGy 1.0 1.8 5.68 1344 1002 A 79 GLU HGx A 80 THR H 1.0 1.8 5.68 1345 1003 A 79 GLU HBy A 79 GLU H 1.0 1.8 4.28 1346 1004 A 79 GLU H A 79 GLU HBx 1.0 1.8 4.28 1347 1005 A 79 GLU H A 79 GLU HGy 1.0 1.8 5.30 1348 1006 A 79 GLU HGx A 79 GLU H 1.0 1.8 5.30 1349 1007 A 80 THR HG2% A 79 GLU H 1.0 1.8 6.00 1350 1008 A 79 GLU H A 80 THR H 1.0 1.8 3.16 1351 1009 A 80 THR HG2% A 80 THR HA 1.0 1.8 3.58 1352 1010 A 80 THR HA A 81 PHE H 1.0 1.8 3.41 1353 1011 A 81 PHE H A 80 THR HB 1.0 1.8 5.27 1354 1012 A 80 THR HG2% A 81 PHE H 1.0 1.8 4.43 1355 1013 A 80 THR H A 80 THR HB 1.0 1.8 3.80 1356 1014 A 80 THR HG2% A 80 THR H 1.0 1.8 4.80 1357 1015 A 80 THR H A 81 PHE H 1.0 1.8 4.40 1358 1016 A 81 PHE HD% A 81 PHE HA 1.0 1.8 4.99 1359 1017 A 82 ARG H A 81 PHE HA 1.0 1.8 3.63 1360 1018 A 82 ARG H A 81 PHE HBx 1.0 1.8 3.70 1361 1018 A 82 ARG H A 81 PHE HBy 1.0 1.8 3.70 1362 1019 A 82 ARG H A 81 PHE HD% 1.0 1.8 4.48 1363 1020 A 83 LEU HD1% A 81 PHE HD% 1.0 1.8 5.31 1364 1021 A 83 LEU HD2% A 81 PHE HD% 1.0 1.8 4.07 1365 1022 A 83 LEU HG A 81 PHE HD% 1.0 1.8 5.12 1366 1023 A 83 LEU HD1% A 81 PHE HE% 1.0 1.8 3.52 1367 1024 A 81 PHE HD% A 81 PHE H 1.0 1.8 4.27 1368 1025 A 82 ARG HA A 82 ARG HDx 1.0 1.8 5.01 1369 1025 A 82 ARG HDy A 82 ARG HA 1.0 1.8 5.01 1370 1026 A 82 ARG HA A 82 ARG HGx 1.0 1.8 3.99 1371 1026 A 82 ARG HA A 82 ARG HGy 1.0 1.8 3.99 1372 1027 A 83 LEU H A 82 ARG HBx 1.0 1.8 4.37 1373 1027 A 83 LEU H A 82 ARG HBy 1.0 1.8 4.37 1374 1028 A 82 ARG H A 82 ARG HDx 1.0 1.8 5.73 1375 1028 A 82 ARG HDy A 82 ARG H 1.0 1.8 5.73 1376 1029 A 82 ARG H A 82 ARG HGx 1.0 1.8 4.17 1377 1029 A 82 ARG H A 82 ARG HGy 1.0 1.8 4.17 1378 1030 A 83 LEU HD1% A 83 LEU HA 1.0 1.8 4.70 1379 1031 A 83 LEU HD2% A 83 LEU HA 1.0 1.8 3.42 1380 1032 A 83 LEU HA A 84 TYR HBx 1.0 1.8 5.87 1381 1032 A 84 TYR HBy A 83 LEU HA 1.0 1.8 5.87 1382 1033 A 84 TYR HD% A 83 LEU HA 1.0 1.8 4.74 1383 1034 A 84 TYR H A 83 LEU HA 1.0 1.8 3.49 1384 1035 A 83 LEU HD1% A 83 LEU HBy 1.0 1.8 4.39 1385 1036 A 83 LEU HD2% A 83 LEU HBy 1.0 1.8 4.65 1386 1037 A 84 TYR HA A 83 LEU HBy 1.0 1.8 6.05 1387 1038 A 84 TYR H A 83 LEU HBy 1.0 1.8 4.29 1388 1039 A 83 LEU HD1% A 83 LEU HBx 1.0 1.8 4.39 1389 1040 A 83 LEU HBx A 83 LEU HD2% 1.0 1.8 4.65 1390 1041 A 84 TYR HA A 83 LEU HBx 1.0 1.8 6.05 1391 1042 A 83 LEU HBx A 84 TYR H 1.0 1.8 4.29 1392 1043 A 83 LEU HD1% A 97 VAL HG1% 1.0 1.8 4.10 1393 1044 A 83 LEU HD1% A 99 PHE HZ 1.0 1.8 3.22 1394 1045 A 83 LEU HD2% A 84 TYR H 1.0 1.8 4.35 1395 1046 A 83 LEU HD2% A 99 PHE HZ 1.0 1.8 5.18 1396 1047 A 83 LEU HG A 84 TYR H 1.0 1.8 6.05 1397 1048 A 83 LEU H A 83 LEU HD1% 1.0 1.8 4.93 1398 1049 A 83 LEU H A 83 LEU HD2% 1.0 1.8 4.58 1399 1050 A 83 LEU H A 83 LEU HG 1.0 1.8 4.72 1400 1051 A 84 TYR HA A 84 TYR HD% 1.0 1.8 4.70 1401 1052 A 84 TYR HA A 85 TYR HBy 1.0 1.8 5.44 1402 1052 A 85 TYR HBx A 84 TYR HA 1.0 1.8 5.44 1403 1053 A 85 TYR H A 84 TYR HA 1.0 1.8 3.45 1404 1054 A 85 TYR H A 84 TYR HD% 1.0 1.8 4.94 1405 1055 A 84 TYR HD% A 84 TYR H 1.0 1.8 4.28 1406 1056 A 85 TYR HD% A 85 TYR HA 1.0 1.8 5.06 1407 1057 A 85 TYR HA A 86 THR H 1.0 1.8 3.70 1408 1058 A 86 THR H A 85 TYR HBy 1.0 1.8 5.52 1409 1059 A 85 TYR HBx A 86 THR H 1.0 1.8 5.52 1410 1060 A 85 TYR HD% A 86 THR H 1.0 1.8 5.14 1411 1061 A 85 TYR HD% A 95 VAL HG2% 1.0 1.8 5.00 1412 1062 A 85 TYR HE% A 95 VAL HG1% 1.0 1.8 5.00 1413 1063 A 85 TYR HE% A 95 VAL HG2% 1.0 1.8 4.06 1414 1064 A 85 TYR H A 85 TYR HBy 1.0 1.8 4.10 1415 1065 A 85 TYR HBx A 85 TYR H 1.0 1.8 4.10 1416 1066 A 85 TYR HD% A 85 TYR H 1.0 1.8 5.42 1417 1067 A 85 TYR H A 86 THR HA 1.0 1.8 5.59 1418 1068 A 85 TYR H A 86 THR H 1.0 1.8 5.30 1419 1069 A 86 THR HG2% A 86 THR HA 1.0 1.8 3.55 1420 1070 A 86 THR HG2% A 87 SER H 1.0 1.8 5.63 1421 1071 A 88 ALA HB% A 86 THR HG2% 1.0 1.8 4.30 1422 1072 A 86 THR H A 86 THR HB 1.0 1.8 4.16 1423 1073 A 86 THR HG2% A 86 THR H 1.0 1.8 4.60 1424 1074 A 88 ALA HB% A 87 SER HA 1.0 1.8 4.87 1425 1075 A 89 SER H A 88 ALA HA 1.0 1.8 3.42 1426 1076 A 89 SER H A 88 ALA HB% 1.0 1.8 3.83 1427 1077 A 89 SER H A 88 ALA H 1.0 1.8 4.50 1428 1078 A 89 SER HA A 90 THR H 1.0 1.8 3.33 1429 1079 A 91 ASP H A 89 SER HBy 1.0 1.8 4.11 1430 1079 A 89 SER HBx A 91 ASP H 1.0 1.8 4.11 1431 1080 A 90 THR H A 89 SER HBy 1.0 1.8 4.44 1432 1081 A 89 SER HBx A 90 THR H 1.0 1.8 4.44 1433 1082 A 89 SER H A 89 SER HBy 1.0 1.8 3.77 1434 1082 A 89 SER H A 89 SER HBx 1.0 1.8 3.77 1435 1083 A 89 SER H A 90 THR H 1.0 1.8 5.05 1436 1084 A 90 THR HA A 90 THR HG2% 1.0 1.8 3.53 1437 1085 A 90 THR HA A 91 ASP H 1.0 1.8 3.93 1438 1086 A 91 ASP H A 90 THR HB 1.0 1.8 5.02 1439 1087 A 91 ASP H A 90 THR HG2% 1.0 1.8 4.88 1440 1088 A 90 THR H A 90 THR HG2% 1.0 1.8 3.73 1441 1089 A 91 ASP HA A 92 GLN H 1.0 1.8 3.22 1442 1090 A 92 GLN H A 91 ASP HBx 1.0 1.8 3.30 1443 1090 A 92 GLN H A 91 ASP HBy 1.0 1.8 3.30 1444 1091 A 91 ASP H A 91 ASP HBx 1.0 1.8 3.32 1445 1091 A 91 ASP H A 91 ASP HBy 1.0 1.8 3.32 1446 1092 A 92 GLN HA A 93 GLN H 1.0 1.8 3.56 1447 1093 A 92 GLN HE22 A 92 GLN HBy 1.0 1.8 4.76 1448 1093 A 92 GLN HBx A 92 GLN HE22 1.0 1.8 4.76 1449 1093 A 92 GLN HBx A 92 GLN HE21 1.0 1.8 4.76 1450 1093 A 92 GLN HE21 A 92 GLN HBy 1.0 1.8 4.76 1451 1094 A 93 GLN H A 92 GLN HBy 1.0 1.8 4.64 1452 1095 A 93 GLN H A 92 GLN HBx 1.0 1.8 4.64 1453 1096 A 112 SER HBx A 92 GLN HE21 1.0 1.8 4.69 1454 1096 A 92 GLN HE21 A 112 SER HBy 1.0 1.8 4.69 1455 1096 A 112 SER HBx A 92 GLN HE22 1.0 1.8 4.69 1456 1096 A 92 GLN HE22 A 112 SER HBy 1.0 1.8 4.69 1457 1097 A 92 GLN HE21 A 92 GLN HGx 1.0 1.8 3.88 1458 1097 A 92 GLN HGy A 92 GLN HE21 1.0 1.8 3.88 1459 1098 A 92 GLN HE22 A 92 GLN HGx 1.0 1.8 3.88 1460 1098 A 92 GLN HGy A 92 GLN HE22 1.0 1.8 3.88 1461 1099 A 93 GLN H A 92 GLN HGx 1.0 1.8 3.95 1462 1099 A 93 GLN H A 92 GLN HGy 1.0 1.8 3.95 1463 1100 A 92 GLN H A 92 GLN HBy 1.0 1.8 3.54 1464 1101 A 92 GLN H A 92 GLN HBx 1.0 1.8 3.54 1465 1102 A 92 GLN H A 92 GLN HGx 1.0 1.8 4.50 1466 1102 A 92 GLN H A 92 GLN HGy 1.0 1.8 4.50 1467 1103 A 94 THR H A 93 GLN H 1.0 1.8 4.97 1468 1104 A 93 GLN H A 113 PHE HBx 1.0 1.8 4.68 1469 1104 A 93 GLN H A 113 PHE HBy 1.0 1.8 4.68 1470 1105 A 93 GLN H A 113 PHE H 1.0 1.8 4.62 1471 1106 A 94 THR HG2% A 94 THR HA 1.0 1.8 3.55 1472 1107 A 94 THR HA A 95 VAL HB 1.0 1.8 5.43 1473 1108 A 95 VAL HG2% A 94 THR HA 1.0 1.8 4.53 1474 1109 A 94 THR HA A 95 VAL H 1.0 1.8 3.49 1475 1110 A 94 THR HA A 112 SER HA 1.0 1.8 4.15 1476 1111 A 94 THR HA A 112 SER HBy 1.0 1.8 5.21 1477 1111 A 112 SER HBx A 94 THR HA 1.0 1.8 5.21 1478 1112 A 94 THR HA A 112 SER H 1.0 1.8 6.04 1479 1113 A 94 THR HB A 95 VAL H 1.0 1.8 5.71 1480 1114 A 94 THR HG2% A 95 VAL H 1.0 1.8 3.75 1481 1115 A 94 THR HG2% A 112 SER HA 1.0 1.8 3.98 1482 1116 A 94 THR HG2% A 112 SER HBy 1.0 1.8 4.00 1483 1116 A 94 THR HG2% A 112 SER HBx 1.0 1.8 4.00 1484 1117 A 94 THR HG2% A 94 THR H 1.0 1.8 4.92 1485 1118 A 95 VAL HG1% A 95 VAL HA 1.0 1.8 3.62 1486 1119 A 95 VAL HA A 95 VAL HG2% 1.0 1.8 3.90 1487 1120 A 96 ASP H A 95 VAL HA 1.0 1.8 3.79 1488 1121 A 96 ASP H A 95 VAL HB 1.0 1.8 5.38 1489 1122 A 95 VAL HB A 111 PHE HBy 1.0 1.8 5.00 1490 1122 A 111 PHE HBx A 95 VAL HB 1.0 1.8 5.00 1491 1123 A 111 PHE HD% A 95 VAL HB 1.0 1.8 4.43 1492 1124 A 95 VAL HB A 111 PHE H 1.0 1.8 5.50 1493 1125 A 95 VAL HG1% A 96 ASP HBx 1.0 1.8 5.20 1494 1125 A 95 VAL HG1% A 96 ASP HBy 1.0 1.8 5.20 1495 1126 A 95 VAL HG1% A 96 ASP H 1.0 1.8 3.72 1496 1127 A 111 PHE HD% A 95 VAL HG1% 1.0 1.8 3.98 1497 1128 A 113 PHE HE% A 95 VAL HG1% 1.0 1.8 6.00 1498 1129 A 96 ASP H A 95 VAL HG2% 1.0 1.8 4.88 1499 1130 A 95 VAL HG2% A 111 PHE HBy 1.0 1.8 6.00 1500 1130 A 111 PHE HBx A 95 VAL HG2% 1.0 1.8 6.00 1501 1131 A 111 PHE HD% A 95 VAL HG2% 1.0 1.8 4.80 1502 1132 A 95 VAL HG2% A 111 PHE H 1.0 1.8 6.05 1503 1133 A 113 PHE HE% A 95 VAL HG2% 1.0 1.8 5.00 1504 1134 A 113 PHE HZ A 95 VAL HG2% 1.0 1.8 6.00 1505 1135 A 95 VAL HB A 95 VAL H 1.0 1.8 4.11 1506 1136 A 95 VAL HG1% A 95 VAL H 1.0 1.8 4.70 1507 1137 A 95 VAL HG2% A 95 VAL H 1.0 1.8 3.66 1508 1138 A 95 VAL H A 111 PHE HBy 1.0 1.8 5.28 1509 1139 A 111 PHE HBx A 95 VAL H 1.0 1.8 5.28 1510 1140 A 95 VAL H A 112 SER HA 1.0 1.8 4.65 1511 1141 A 97 VAL HG2% A 96 ASP HA 1.0 1.8 4.57 1512 1142 A 96 ASP HA A 97 VAL H 1.0 1.8 3.47 1513 1143 A 96 ASP HA A 110 THR HA 1.0 1.8 4.75 1514 1144 A 111 PHE H A 96 ASP HA 1.0 1.8 5.04 1515 1145 A 98 TYR HE% A 96 ASP HBx 1.0 1.8 3.61 1516 1145 A 98 TYR HE% A 96 ASP HBy 1.0 1.8 3.61 1517 1146 A 97 VAL HG2% A 96 ASP H 1.0 1.8 5.19 1518 1147 A 97 VAL HG1% A 97 VAL HA 1.0 1.8 3.93 1519 1148 A 97 VAL HG2% A 97 VAL HA 1.0 1.8 3.71 1520 1149 A 98 TYR HD% A 97 VAL HA 1.0 1.8 4.77 1521 1150 A 98 TYR H A 97 VAL HA 1.0 1.8 3.79 1522 1151 A 98 TYR H A 97 VAL HB 1.0 1.8 5.12 1523 1152 A 99 PHE HD% A 97 VAL HB 1.0 1.8 5.30 1524 1153 A 97 VAL HB A 109 LEU HBy 1.0 1.8 4.51 1525 1153 A 97 VAL HB A 109 LEU HBx 1.0 1.8 4.51 1526 1154 A 97 VAL HB A 109 LEU H 1.0 1.8 4.83 1527 1155 A 97 VAL HG1% A 98 TYR H 1.0 1.8 3.79 1528 1156 A 97 VAL HG1% A 99 PHE HA 1.0 1.8 6.05 1529 1157 A 99 PHE HD% A 97 VAL HG1% 1.0 1.8 4.35 1530 1158 A 99 PHE HE% A 97 VAL HG1% 1.0 1.8 4.28 1531 1159 A 97 VAL HG1% A 99 PHE HZ 1.0 1.8 3.72 1532 1160 A 109 LEU HD1% A 97 VAL HG1% 1.0 1.8 4.58 1533 1161 A 97 VAL HG2% A 98 TYR H 1.0 1.8 4.58 1534 1162 A 99 PHE HE% A 97 VAL HG2% 1.0 1.8 4.85 1535 1163 A 97 VAL HG2% A 109 LEU H 1.0 1.8 5.37 1536 1164 A 111 PHE HD% A 97 VAL HG2% 1.0 1.8 4.15 1537 1165 A 97 VAL H A 97 VAL HB 1.0 1.8 4.05 1538 1166 A 97 VAL HG1% A 97 VAL H 1.0 1.8 4.71 1539 1167 A 97 VAL HG2% A 97 VAL H 1.0 1.8 3.76 1540 1168 A 98 TYR H A 97 VAL H 1.0 1.8 5.25 1541 1169 A 97 VAL H A 109 LEU H 1.0 1.8 4.23 1542 1170 A 98 TYR HD% A 98 TYR HA 1.0 1.8 4.36 1543 1171 A 99 PHE HD% A 98 TYR HA 1.0 1.8 5.21 1544 1172 A 98 TYR HA A 99 PHE H 1.0 1.8 3.65 1545 1173 A 98 TYR HA A 106 LEU HD1% 1.0 1.8 4.46 1546 1174 A 98 TYR HA A 108 GLN HA 1.0 1.8 4.13 1547 1175 A 98 TYR HA A 108 GLN HBy 1.0 1.8 5.70 1548 1175 A 98 TYR HA A 108 GLN HBx 1.0 1.8 5.70 1549 1176 A 98 TYR HA A 108 GLN HGy 1.0 1.8 6.05 1550 1177 A 98 TYR HA A 108 GLN HGx 1.0 1.8 6.05 1551 1178 A 109 LEU H A 98 TYR HA 1.0 1.8 4.76 1552 1179 A 106 LEU HD1% A 98 TYR HBy 1.0 1.8 5.00 1553 1179 A 106 LEU HD1% A 98 TYR HBx 1.0 1.8 5.00 1554 1180 A 106 LEU HD2% A 98 TYR HBy 1.0 1.8 6.05 1555 1181 A 98 TYR HBx A 106 LEU HD2% 1.0 1.8 6.05 1556 1182 A 98 TYR HD% A 106 LEU HD1% 1.0 1.8 4.20 1557 1183 A 98 TYR HD% A 106 LEU HD2% 1.0 1.8 4.20 1558 1184 A 98 TYR HD% A 106 LEU HG 1.0 1.8 5.00 1559 1185 A 98 TYR HD% A 108 GLN HBy 1.0 1.8 5.84 1560 1186 A 98 TYR HD% A 108 GLN HBx 1.0 1.8 5.84 1561 1187 A 98 TYR HE% A 106 LEU HD1% 1.0 1.8 5.00 1562 1188 A 98 TYR HE% A 106 LEU HD2% 1.0 1.8 5.00 1563 1189 A 98 TYR HE% A 106 LEU HG 1.0 1.8 5.58 1564 1190 A 98 TYR HE% A 108 GLN HBy 1.0 1.8 5.76 1565 1191 A 98 TYR HE% A 108 GLN HBx 1.0 1.8 5.76 1566 1192 A 98 TYR HE% A 108 GLN HGy 1.0 1.8 5.36 1567 1193 A 98 TYR HE% A 108 GLN HGx 1.0 1.8 5.36 1568 1194 A 98 TYR H A 98 TYR HD% 1.0 1.8 4.07 1569 1195 A 99 PHE HD% A 99 PHE HA 1.0 1.8 4.36 1570 1196 A 100 GLN H A 99 PHE HA 1.0 1.8 3.50 1571 1197 A 100 GLN H A 99 PHE HBy 1.0 1.8 4.33 1572 1197 A 100 GLN H A 99 PHE HBx 1.0 1.8 4.33 1573 1198 A 107 GLN H A 99 PHE HBy 1.0 1.8 5.39 1574 1198 A 99 PHE HBx A 107 GLN H 1.0 1.8 5.39 1575 1199 A 107 GLN HBy A 99 PHE HBy 1.0 1.8 5.33 1576 1199 A 99 PHE HBy A 107 GLN HBx 1.0 1.8 5.33 1577 1200 A 107 GLN HBy A 99 PHE HBx 1.0 1.8 5.33 1578 1200 A 99 PHE HBx A 107 GLN HBx 1.0 1.8 5.33 1579 1201 A 99 PHE HD% A 100 GLN H 1.0 1.8 4.86 1580 1202 A 99 PHE HD% A 107 GLN H 1.0 1.8 6.05 1581 1203 A 99 PHE HD% A 109 LEU HBy 1.0 1.8 5.73 1582 1203 A 99 PHE HD% A 109 LEU HBx 1.0 1.8 5.73 1583 1204 A 99 PHE HD% A 109 LEU HD1% 1.0 1.8 4.17 1584 1205 A 99 PHE HD% A 109 LEU HG 1.0 1.8 4.07 1585 1206 A 99 PHE HD% A 109 LEU H 1.0 1.8 5.41 1586 1207 A 99 PHE HE% A 109 LEU HBy 1.0 1.8 4.71 1587 1207 A 99 PHE HE% A 109 LEU HBx 1.0 1.8 4.71 1588 1208 A 99 PHE HE% A 109 LEU HD1% 1.0 1.8 3.70 1589 1209 A 99 PHE HE% A 109 LEU HD2% 1.0 1.8 5.00 1590 1210 A 99 PHE HE% A 109 LEU HG 1.0 1.8 4.77 1591 1211 A 99 PHE HD% A 99 PHE H 1.0 1.8 4.30 1592 1212 A 99 PHE H A 106 LEU HD1% 1.0 1.8 5.00 1593 1213 A 99 PHE H A 107 GLN HBx 1.0 1.8 4.77 1594 1213 A 107 GLN HBy A 99 PHE H 1.0 1.8 4.77 1595 1214 A 99 PHE H A 107 GLN H 1.0 1.8 4.46 1596 1215 A 99 PHE H A 108 GLN HA 1.0 1.8 4.59 1597 1216 A 100 GLN HA A 101 ASP H 1.0 1.8 3.40 1598 1217 A 100 GLN HA A 106 LEU HA 1.0 1.8 4.22 1599 1218 A 106 LEU HD1% A 100 GLN HA 1.0 1.8 4.53 1600 1219 A 106 LEU HD2% A 100 GLN HA 1.0 1.8 4.96 1601 1220 A 100 GLN HA A 107 GLN HBx 1.0 1.8 5.65 1602 1220 A 107 GLN HBy A 100 GLN HA 1.0 1.8 5.65 1603 1221 A 107 GLN H A 100 GLN HA 1.0 1.8 5.22 1604 1222 A 100 GLN HE2y A 100 GLN HBx 1.0 1.8 4.53 1605 1222 A 100 GLN HBy A 100 GLN HE2y 1.0 1.8 4.53 1606 1223 A 100 GLN HE2x A 100 GLN HBx 1.0 1.8 4.70 1607 1223 A 100 GLN HBy A 100 GLN HE2x 1.0 1.8 4.70 1608 1224 A 101 ASP H A 100 GLN HBx 1.0 1.8 4.05 1609 1224 A 100 GLN HBy A 101 ASP H 1.0 1.8 4.05 1610 1225 A 106 LEU HA A 100 GLN HBx 1.0 1.8 5.63 1611 1225 A 100 GLN HBy A 106 LEU HA 1.0 1.8 5.63 1612 1226 A 100 GLN HBx A 106 LEU HBy 1.0 1.8 5.87 1613 1226 A 100 GLN HBy A 106 LEU HBy 1.0 1.8 5.87 1614 1226 A 106 LEU HBx A 100 GLN HBx 1.0 1.8 5.87 1615 1226 A 100 GLN HBy A 106 LEU HBx 1.0 1.8 5.87 1616 1227 A 106 LEU HD1% A 100 GLN HBx 1.0 1.8 5.00 1617 1227 A 100 GLN HBy A 106 LEU HD1% 1.0 1.8 5.00 1618 1228 A 106 LEU HD2% A 100 GLN HBx 1.0 1.8 4.11 1619 1228 A 100 GLN HBy A 106 LEU HD2% 1.0 1.8 4.11 1620 1229 A 100 GLN HE2x A 106 LEU HD2% 1.0 1.8 5.94 1621 1230 A 106 LEU HA A 100 GLN HGx 1.0 1.8 5.21 1622 1230 A 100 GLN HGy A 106 LEU HA 1.0 1.8 5.21 1623 1231 A 100 GLN HGy A 101 ASP H 1.0 1.8 4.91 1624 1232 A 101 ASP H A 100 GLN HGx 1.0 1.8 4.91 1625 1233 A 100 GLN H A 100 GLN HGy 1.0 1.8 5.15 1626 1234 A 100 GLN H A 100 GLN HGx 1.0 1.8 5.15 1627 1235 A 100 GLN H A 101 ASP H 1.0 1.8 4.97 1628 1236 A 102 SER H A 101 ASP HBx 1.0 1.8 3.94 1629 1236 A 102 SER H A 101 ASP HBy 1.0 1.8 3.94 1630 1237 A 103 PHE H A 101 ASP HBx 1.0 1.8 4.80 1631 1237 A 103 PHE H A 101 ASP HBy 1.0 1.8 4.80 1632 1238 A 101 ASP H A 105 GLN H 1.0 1.8 4.30 1633 1239 A 101 ASP H A 106 LEU HA 1.0 1.8 5.12 1634 1240 A 106 LEU HD2% A 101 ASP H 1.0 1.8 6.00 1635 1241 A 103 PHE H A 102 SER HBx 1.0 1.8 4.25 1636 1241 A 102 SER HBy A 103 PHE H 1.0 1.8 4.25 1637 1242 A 102 SER H A 103 PHE H 1.0 1.8 4.19 1638 1243 A 103 PHE HA A 103 PHE HD% 1.0 1.8 4.42 1639 1244 A 104 GLY H A 103 PHE HBy 1.0 1.8 4.06 1640 1244 A 103 PHE HBx A 104 GLY H 1.0 1.8 4.06 1641 1245 A 103 PHE HBx A 105 GLN HGx 1.0 1.8 5.60 1642 1245 A 103 PHE HBy A 105 GLN HGx 1.0 1.8 5.60 1643 1245 A 105 GLN HGy A 103 PHE HBy 1.0 1.8 5.60 1644 1245 A 105 GLN HGy A 103 PHE HBx 1.0 1.8 5.60 1645 1246 A 105 GLN H A 103 PHE HBy 1.0 1.8 4.30 1646 1246 A 105 GLN H A 103 PHE HBx 1.0 1.8 4.30 1647 1247 A 103 PHE HD% A 104 GLY H 1.0 1.8 5.17 1648 1248 A 103 PHE H A 103 PHE HBy 1.0 1.8 4.05 1649 1249 A 103 PHE H A 103 PHE HBx 1.0 1.8 4.05 1650 1250 A 103 PHE H A 103 PHE HD% 1.0 1.8 4.60 1651 1251 A 103 PHE H A 105 GLN H 1.0 1.8 4.46 1652 1252 A 105 GLN H A 104 GLY H 1.0 1.8 3.53 1653 1253 A 105 GLN HA A 105 GLN HGx 1.0 1.8 3.72 1654 1253 A 105 GLN HGy A 105 GLN HA 1.0 1.8 3.72 1655 1254 A 105 GLN HA A 106 LEU HBy 1.0 1.8 5.71 1656 1255 A 106 LEU HBx A 105 GLN HA 1.0 1.8 5.71 1657 1256 A 105 GLN HA A 106 LEU H 1.0 1.8 3.28 1658 1257 A 105 GLN HBy A 105 GLN HE22 1.0 1.8 4.60 1659 1257 A 105 GLN HBx A 105 GLN HE22 1.0 1.8 4.60 1660 1257 A 105 GLN HE21 A 105 GLN HBy 1.0 1.8 4.60 1661 1257 A 105 GLN HE21 A 105 GLN HBx 1.0 1.8 4.60 1662 1258 A 106 LEU H A 105 GLN HBy 1.0 1.8 3.94 1663 1258 A 106 LEU H A 105 GLN HBx 1.0 1.8 3.94 1664 1259 A 105 GLN HE22 A 105 GLN HGx 1.0 1.8 3.39 1665 1259 A 105 GLN HE21 A 105 GLN HGx 1.0 1.8 3.39 1666 1259 A 105 GLN HGy A 105 GLN HE22 1.0 1.8 3.39 1667 1259 A 105 GLN HE21 A 105 GLN HGy 1.0 1.8 3.39 1668 1260 A 105 GLN HGy A 106 LEU H 1.0 1.8 5.39 1669 1261 A 106 LEU H A 105 GLN HGx 1.0 1.8 5.39 1670 1262 A 105 GLN H A 105 GLN HBy 1.0 1.8 3.99 1671 1263 A 105 GLN H A 105 GLN HBx 1.0 1.8 3.99 1672 1264 A 105 GLN H A 105 GLN HGx 1.0 1.8 4.00 1673 1264 A 105 GLN HGy A 105 GLN H 1.0 1.8 4.00 1674 1265 A 105 GLN H A 106 LEU H 1.0 1.8 5.21 1675 1266 A 106 LEU HD1% A 106 LEU HA 1.0 1.8 3.63 1676 1267 A 106 LEU HD2% A 106 LEU HA 1.0 1.8 4.80 1677 1268 A 107 GLN H A 106 LEU HA 1.0 1.8 3.66 1678 1269 A 106 LEU HD1% A 106 LEU HBy 1.0 1.8 3.49 1679 1269 A 106 LEU HD1% A 106 LEU HBx 1.0 1.8 3.49 1680 1270 A 106 LEU HD2% A 106 LEU HBy 1.0 1.8 3.74 1681 1271 A 107 GLN H A 106 LEU HBy 1.0 1.8 5.04 1682 1272 A 106 LEU HD2% A 106 LEU HBx 1.0 1.8 3.74 1683 1273 A 107 GLN H A 106 LEU HBx 1.0 1.8 5.04 1684 1274 A 106 LEU HD1% A 107 GLN H 1.0 1.8 3.99 1685 1275 A 106 LEU HG A 107 GLN H 1.0 1.8 5.30 1686 1276 A 106 LEU H A 106 LEU HBy 1.0 1.8 3.98 1687 1277 A 106 LEU HBx A 106 LEU H 1.0 1.8 3.98 1688 1278 A 106 LEU HD1% A 106 LEU H 1.0 1.8 5.00 1689 1279 A 106 LEU HD2% A 106 LEU H 1.0 1.8 5.00 1690 1280 A 106 LEU HG A 106 LEU H 1.0 1.8 5.69 1691 1281 A 107 GLN H A 106 LEU H 1.0 1.8 4.87 1692 1282 A 107 GLN HE21 A 107 GLN HA 1.0 1.8 4.94 1693 1282 A 107 GLN HA A 107 GLN HE22 1.0 1.8 4.94 1694 1283 A 107 GLN HA A 108 GLN H 1.0 1.8 3.28 1695 1284 A 109 LEU HD2% A 107 GLN HE21 1.0 1.8 6.05 1696 1284 A 109 LEU HD2% A 107 GLN HE22 1.0 1.8 6.05 1697 1285 A 108 GLN H A 107 GLN HGx 1.0 1.8 4.62 1698 1285 A 107 GLN HGy A 108 GLN H 1.0 1.8 4.62 1699 1286 A 107 GLN H A 107 GLN HBx 1.0 1.8 3.90 1700 1286 A 107 GLN HBy A 107 GLN H 1.0 1.8 3.90 1701 1287 A 107 GLN HE21 A 107 GLN H 1.0 1.8 6.00 1702 1288 A 107 GLN H A 107 GLN HGx 1.0 1.8 4.93 1703 1288 A 107 GLN HGy A 107 GLN H 1.0 1.8 4.93 1704 1289 A 108 GLN HA A 108 GLN HGy 1.0 1.8 4.57 1705 1290 A 108 GLN HA A 108 GLN HGx 1.0 1.8 4.57 1706 1291 A 109 LEU HG A 108 GLN HA 1.0 1.8 4.98 1707 1292 A 109 LEU H A 108 GLN HA 1.0 1.8 3.41 1708 1293 A 108 GLN HE2y A 108 GLN HBy 1.0 1.8 4.97 1709 1293 A 108 GLN HBx A 108 GLN HE2y 1.0 1.8 4.97 1710 1294 A 108 GLN HE2x A 108 GLN HBy 1.0 1.8 4.97 1711 1294 A 108 GLN HBx A 108 GLN HE2x 1.0 1.8 4.97 1712 1295 A 109 LEU HD2% A 108 GLN HBy 1.0 1.8 5.64 1713 1295 A 109 LEU HD2% A 108 GLN HBx 1.0 1.8 5.64 1714 1296 A 109 LEU H A 108 GLN HBy 1.0 1.8 5.26 1715 1297 A 109 LEU H A 108 GLN HBx 1.0 1.8 5.26 1716 1298 A 109 LEU HD2% A 108 GLN HGx 1.0 1.8 5.26 1717 1298 A 109 LEU HD2% A 108 GLN HGy 1.0 1.8 5.26 1718 1299 A 108 GLN H A 108 GLN HBy 1.0 1.8 3.79 1719 1300 A 108 GLN HBx A 108 GLN H 1.0 1.8 3.79 1720 1301 A 108 GLN H A 108 GLN HGy 1.0 1.8 5.41 1721 1302 A 108 GLN H A 108 GLN HGx 1.0 1.8 5.41 1722 1303 A 109 LEU HD2% A 108 GLN H 1.0 1.8 5.00 1723 1304 A 109 LEU H A 108 GLN H 1.0 1.8 5.01 1724 1305 A 109 LEU HD1% A 109 LEU HA 1.0 1.8 4.46 1725 1306 A 109 LEU HD2% A 109 LEU HA 1.0 1.8 3.17 1726 1307 A 109 LEU HG A 109 LEU HA 1.0 1.8 4.21 1727 1308 A 109 LEU HA A 110 THR H 1.0 1.8 2.95 1728 1309 A 110 THR H A 109 LEU HBy 1.0 1.8 3.59 1729 1309 A 109 LEU HBx A 110 THR H 1.0 1.8 3.59 1730 1310 A 109 LEU HD2% A 109 LEU HBy 1.0 1.8 4.36 1731 1311 A 109 LEU HD2% A 109 LEU HBx 1.0 1.8 4.36 1732 1312 A 109 LEU HD2% A 110 THR H 1.0 1.8 4.39 1733 1313 A 109 LEU H A 109 LEU HBy 1.0 1.8 3.82 1734 1313 A 109 LEU HBx A 109 LEU H 1.0 1.8 3.82 1735 1314 A 109 LEU HD1% A 109 LEU H 1.0 1.8 5.00 1736 1315 A 109 LEU HD2% A 109 LEU H 1.0 1.8 3.99 1737 1316 A 109 LEU HG A 109 LEU H 1.0 1.8 4.46 1738 1317 A 109 LEU H A 110 THR H 1.0 1.8 5.08 1739 1318 A 110 THR HA A 110 THR HG2% 1.0 1.8 3.61 1740 1319 A 110 THR HA A 111 PHE HBy 1.0 1.8 4.59 1741 1319 A 111 PHE HBx A 110 THR HA 1.0 1.8 4.59 1742 1320 A 111 PHE H A 110 THR HA 1.0 1.8 3.58 1743 1321 A 110 THR HB A 111 PHE HA 1.0 1.8 4.94 1744 1322 A 111 PHE H A 110 THR HB 1.0 1.8 5.02 1745 1323 A 111 PHE H A 110 THR HG2% 1.0 1.8 3.56 1746 1324 A 112 SER HA A 110 THR HG2% 1.0 1.8 5.65 1747 1325 A 110 THR HG2% A 112 SER HBy 1.0 1.8 4.44 1748 1325 A 112 SER HBx A 110 THR HG2% 1.0 1.8 4.44 1749 1326 A 112 SER H A 110 THR HG2% 1.0 1.8 5.05 1750 1327 A 110 THR H A 110 THR HB 1.0 1.8 3.33 1751 1328 A 110 THR H A 110 THR HG2% 1.0 1.8 4.59 1752 1329 A 111 PHE H A 110 THR H 1.0 1.8 5.12 1753 1330 A 111 PHE HD% A 111 PHE HA 1.0 1.8 3.98 1754 1331 A 112 SER H A 111 PHE HA 1.0 1.8 3.05 1755 1332 A 112 SER H A 111 PHE HBy 1.0 1.8 5.06 1756 1333 A 111 PHE HBx A 112 SER H 1.0 1.8 5.06 1757 1334 A 111 PHE HD% A 112 SER H 1.0 1.8 4.31 1758 1335 A 111 PHE HD% A 111 PHE H 1.0 1.8 5.08 1759 1336 A 112 SER H A 111 PHE H 1.0 1.8 4.57 1760 1337 A 112 SER HA A 113 PHE HBx 1.0 1.8 5.17 1761 1337 A 113 PHE HBy A 112 SER HA 1.0 1.8 5.17 1762 1338 A 113 PHE H A 112 SER HA 1.0 1.8 3.72 1763 1339 A 113 PHE HA A 112 SER HBy 1.0 1.8 5.87 1764 1339 A 112 SER HBx A 113 PHE HA 1.0 1.8 5.87 1765 1340 A 113 PHE H A 112 SER HBy 1.0 1.8 4.39 1766 1341 A 112 SER HBx A 113 PHE H 1.0 1.8 4.39 1767 1342 A 112 SER H A 112 SER HBy 1.0 1.8 3.60 1768 1342 A 112 SER HBx A 112 SER H 1.0 1.8 3.60 1769 1343 A 113 PHE H A 112 SER H 1.0 1.8 4.98 1770 1344 A 113 PHE HA A 113 PHE HD% 1.0 1.8 4.51 1771 1345 A 113 PHE H A 113 PHE HD% 1.0 1.8 5.58 1772 1346 A 115 ASN HA A 116 ASP H 1.0 1.8 3.72 1773 1347 A 116 ASP HA A 117 SER H 1.0 1.8 3.37 1774 1348 A 117 SER H A 116 ASP HBx 1.0 1.8 4.46 1775 1348 A 117 SER H A 116 ASP HBy 1.0 1.8 4.46 1776 1349 A 117 SER HA A 118 SER H 1.0 1.8 3.47 1777 1350 A 118 SER H A 117 SER HBx 1.0 1.8 3.97 1778 1350 A 118 SER H A 117 SER HBy 1.0 1.8 3.97 1779 1351 A 117 SER H A 117 SER HBx 1.0 1.8 3.89 1780 1351 A 117 SER H A 117 SER HBy 1.0 1.8 3.89 1781 1352 A 119 LYS HEy A 119 LYS HGx 1.0 1.8 3.37 1782 1352 A 119 LYS HEx A 119 LYS HGx 1.0 1.8 3.37 1783 1352 A 119 LYS HGy A 119 LYS HEx 1.0 1.8 3.37 1784 1352 A 119 LYS HGy A 119 LYS HEy 1.0 1.8 3.37 1785 1353 A 119 LYS H A 119 LYS HBx 1.0 1.8 3.38 1786 1353 A 119 LYS H A 119 LYS HBy 1.0 1.8 3.38 1787 1354 A 119 LYS H A 119 LYS HGx 1.0 1.8 4.61 1788 1354 A 119 LYS HGy A 119 LYS H 1.0 1.8 4.61 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 16 GLU H A 35 GLN O 1.0 1.7 2.3 2 2 A 35 GLN O A 16 GLU N 1.0 2.7 3.3 3 3 A 18 MET H A 33 ARG O 1.0 1.7 2.3 4 4 A 33 ARG O A 18 MET N 1.0 2.7 3.3 5 5 A 27 GLY H A 87 SER O 1.0 1.7 2.3 6 6 A 87 SER O A 27 GLY N 1.0 2.7 3.3 7 7 A 28 GLU H A 25 LYS O 1.0 1.7 2.3 8 8 A 25 LYS O A 28 GLU N 1.0 2.7 3.3 9 9 A 30 ALA H A 85 TYR O 1.0 1.7 2.3 10 10 A 85 TYR O A 30 ALA N 1.0 2.7 3.3 11 11 A 32 ILE H A 83 LEU O 1.0 1.7 2.3 12 12 A 83 LEU O A 32 ILE N 1.0 2.7 3.3 13 13 A 34 CYS H A 81 PHE O 1.0 1.7 2.3 14 14 A 81 PHE O A 34 CYS N 1.0 2.7 3.3 15 15 A 35 GLN H A 16 GLU O 1.0 1.7 2.3 16 16 A 16 GLU O A 35 GLN N 1.0 2.7 3.3 17 17 A 36 LEU H A 79 GLU O 1.0 1.7 2.3 18 18 A 79 GLU O A 36 LEU N 1.0 2.7 3.3 19 19 A 37 HIS H A 14 SER O 1.0 1.7 2.3 20 20 A 14 SER O A 37 HIS N 1.0 2.7 3.3 21 21 A 48 PHE H A 100 GLN O 1.0 1.7 2.3 22 22 A 100 GLN O A 48 PHE N 1.0 2.7 3.3 23 23 A 49 ILE H A 74 TYR O 1.0 1.7 2.3 24 24 A 74 TYR O A 49 ILE N 1.0 2.7 3.3 25 25 A 50 ARG H A 98 TYR O 1.0 1.7 2.3 26 26 A 98 TYR O A 50 ARG N 1.0 2.7 3.3 27 27 A 52 PHE H A 96 ASP O 1.0 1.7 2.3 28 28 A 96 ASP O A 52 PHE N 1.0 2.7 3.3 29 29 A 59 THR H A 86 THR O 1.0 1.7 2.3 30 30 A 86 THR O A 59 THR N 1.0 2.7 3.3 31 31 A 61 LYS H A 84 TYR O 1.0 1.7 2.3 32 32 A 84 TYR O A 61 LYS N 1.0 2.7 3.3 33 33 A 62 MET H A 66 THR O 1.0 1.7 2.3 34 34 A 66 THR O A 62 MET N 1.0 2.7 3.3 35 35 A 63 SER H A 82 ARG O 1.0 1.7 2.3 36 36 A 82 ARG O A 63 SER N 1.0 2.7 3.3 37 37 A 65 GLY H A 62 MET O 1.0 1.7 2.3 38 38 A 62 MET O A 65 GLY N 1.0 2.7 3.3 39 39 A 68 LEU H A 60 LEU O 1.0 1.7 2.3 40 40 A 60 LEU O A 68 LEU N 1.0 2.7 3.3 41 41 A 74 TYR H A 49 ILE O 1.0 1.7 2.5 42 42 A 49 ILE O A 74 TYR N 1.0 2.7 3.5 43 43 A 76 LEU H A 47 TYR O 1.0 1.7 2.3 44 44 A 47 TYR O A 76 LEU N 1.0 2.7 3.3 45 45 A 83 LEU H A 32 ILE O 1.0 1.7 2.3 46 46 A 32 ILE O A 83 LEU N 1.0 2.7 3.3 47 47 A 84 TYR H A 61 LYS O 1.0 1.7 2.3 48 48 A 61 LYS O A 84 TYR N 1.0 2.7 3.3 49 49 A 85 TYR H A 30 ALA O 1.0 1.7 2.3 50 50 A 30 ALA O A 85 TYR N 1.0 2.7 3.3 51 51 A 86 THR H A 59 THR O 1.0 1.7 2.3 52 52 A 59 THR O A 86 THR N 1.0 2.7 3.3 53 53 A 87 SER H A 28 GLU O 1.0 1.7 2.3 54 54 A 28 GLU O A 87 SER N 1.0 2.7 3.3 55 55 A 95 VAL H A 111 PHE O 1.0 1.7 2.3 56 56 A 111 PHE O A 95 VAL N 1.0 2.7 3.3 57 57 A 96 ASP H A 52 PHE O 1.0 1.7 2.3 58 58 A 52 PHE O A 96 ASP N 1.0 2.7 3.3 59 59 A 97 VAL H A 109 LEU O 1.0 1.7 2.3 60 60 A 109 LEU O A 97 VAL N 1.0 2.7 3.3 61 61 A 98 TYR H A 50 ARG O 1.0 1.7 2.3 62 62 A 50 ARG O A 98 TYR N 1.0 2.7 3.3 63 63 A 99 PHE H A 107 GLN O 1.0 1.7 2.3 64 64 A 107 GLN O A 99 PHE N 1.0 2.7 3.3 65 65 A 100 GLN H A 48 PHE O 1.0 1.7 2.3 66 66 A 48 PHE O A 100 GLN N 1.0 2.7 3.3 67 67 A 101 ASP H A 105 GLN O 1.0 1.7 2.3 68 68 A 105 GLN O A 101 ASP N 1.0 2.7 3.3 69 69 A 104 GLY H A 101 ASP O 1.0 1.7 2.3 70 70 A 101 ASP O A 104 GLY N 1.0 2.7 3.3 71 71 A 107 GLN H A 99 PHE O 1.0 1.7 2.3 72 72 A 99 PHE O A 107 GLN N 1.0 2.7 3.3 73 73 A 109 LEU H A 97 VAL O 1.0 1.7 2.3 74 74 A 97 VAL O A 109 LEU N 1.0 2.7 3.3 75 75 A 111 PHE H A 95 VAL O 1.0 1.7 2.3 76 76 A 95 VAL O A 111 PHE N 1.0 2.7 3.3 77 77 A 113 PHE H A 93 GLN O 1.0 1.7 2.3 78 78 A 93 GLN O A 113 PHE N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 12 PRO C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -193.1 -64.1 PHI 2 2 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 SER N 1.0 139.6 179.6 PSI 3 3 A 13 PHE C A 14 SER N A 14 SER CA A 14 SER C 1.0 -164.0 -92.4 PHI 4 4 A 14 SER N A 14 SER CA A 14 SER C A 15 ILE N 1.0 110.9 184.3 PSI 5 5 A 14 SER C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -145.6 -79.6 PHI 6 6 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 GLU N 1.0 105.5 145.5 PSI 7 7 A 15 ILE C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -145.2 -85.4 PHI 8 8 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 THR N 1.0 111.0 164.2 PSI 9 9 A 16 GLU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -159.2 -92.6 PHI 10 10 A 17 THR N A 17 THR CA A 17 THR C A 18 MET N 1.0 116.6 183.2 PSI 11 11 A 17 THR C A 18 MET N A 18 MET CA A 18 MET C 1.0 -141.7 -23.1 PHI 12 12 A 18 MET N A 18 MET CA A 18 MET C A 19 PRO N 1.0 99.8 194.8 PSI 13 13 A 19 PRO C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -159.0 -79.2 PHI 14 14 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 PRO N 1.0 59.1 199.1 PSI 15 15 A 20 VAL C A 21 PRO N A 21 PRO CA A 21 PRO C 1.0 -88.1 -44.9 PHI 16 16 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 LYS N 1.0 126.5 169.1 PSI 17 17 A 21 PRO C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -107.5 -66.5 PHI 18 18 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 LYS N 1.0 -47.9 9.7 PSI 19 19 A 23 LYS C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -146.8 -106.8 PHI 20 20 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LYS N 1.0 103.8 168.6 PSI 21 21 A 24 LEU C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -122.8 -48.6 PHI 22 22 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 VAL N 1.0 95.4 184.2 PSI 23 23 A 25 LYS C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -75.7 -35.7 PHI 24 24 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 GLY N 1.0 112.2 152.2 PSI 25 25 A 26 VAL C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 65.5 113.9 PHI 26 26 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 GLU N 1.0 -30.6 10.6 PSI 27 27 A 27 GLY C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -112.2 -40.0 PHI 28 28 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 THR N 1.0 125.6 165.6 PSI 29 29 A 28 GLU C A 29 THR N A 29 THR CA A 29 THR C 1.0 -142.1 -82.9 PHI 30 30 A 29 THR N A 29 THR CA A 29 THR C A 30 ALA N 1.0 97.6 158.4 PSI 31 31 A 29 THR C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -142.9 -82.9 PHI 32 32 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 GLU N 1.0 90.1 150.1 PSI 33 33 A 30 ALA C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -149.3 -75.9 PHI 34 34 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 ILE N 1.0 100.8 150.6 PSI 35 35 A 31 GLU C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -141.7 -76.9 PHI 36 36 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 ARG N 1.0 100.5 144.3 PSI 37 37 A 32 ILE C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -151.1 -52.1 PHI 38 38 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 CYS N 1.0 114.7 154.7 PSI 39 39 A 33 ARG C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -160.2 -92.0 PHI 40 40 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 GLN N 1.0 127.5 176.9 PSI 41 41 A 34 CYS C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -168.9 -111.7 PHI 42 42 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 LEU N 1.0 113.8 164.4 PSI 43 43 A 35 GLN C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -137.4 -75.8 PHI 44 44 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 HIS N 1.0 97.7 139.1 PSI 45 45 A 36 LEU C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -154.1 -70.1 PHI 46 46 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 ARG N 1.0 101.0 164.2 PSI 47 47 A 37 HIS C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -161.6 -57.0 PHI 48 48 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 ASP N 1.0 107.1 172.3 PSI 49 49 A 45 THR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -140.9 -81.1 PHI 50 50 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 TYR N 1.0 93.9 200.7 PSI 51 51 A 46 LYS C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -174.0 -98.6 PHI 52 52 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 PHE N 1.0 115.6 179.0 PSI 53 53 A 47 TYR C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -161.7 -115.7 PHI 54 54 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ILE N 1.0 116.0 183.2 PSI 55 55 A 48 PHE C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -164.5 -106.3 PHI 56 56 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 ARG N 1.0 130.0 172.0 PSI 57 57 A 49 ILE C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -163.1 -92.9 PHI 58 58 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 TYR N 1.0 106.6 166.6 PSI 59 59 A 50 ARG C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -145.8 -104.6 PHI 60 60 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 PHE N 1.0 105.6 172.4 PSI 61 61 A 51 TYR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -157.7 -92.9 PHI 62 62 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 GLN N 1.0 106.8 149.4 PSI 63 63 A 52 PHE C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -142.1 -54.9 PHI 64 64 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 PRO N 1.0 73.6 148.2 PSI 65 65 A 53 GLN C A 54 PRO N A 54 PRO CA A 54 PRO C 1.0 -81.7 -39.3 PHI 66 66 A 54 PRO N A 54 PRO CA A 54 PRO C A 55 ASP N 1.0 -46.1 0.9 PSI 67 67 A 56 GLY C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -185.3 -54.3 PHI 68 68 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 GLY N 1.0 88.4 208.4 PSI 69 69 A 57 ALA C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 -242.1 -102.1 PHI 70 70 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 THR N 1.0 108.8 221.2 PSI 71 71 A 58 GLY C A 59 THR N A 59 THR CA A 59 THR C 1.0 -167.1 -85.3 PHI 72 72 A 59 THR N A 59 THR CA A 59 THR C A 60 LEU N 1.0 112.6 161.0 PSI 73 73 A 59 THR C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -142.1 -89.5 PHI 74 74 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 LYS N 1.0 104.9 151.3 PSI 75 75 A 60 LEU C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -159.4 -88.6 PHI 76 76 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 MET N 1.0 125.1 171.1 PSI 77 77 A 61 LYS C A 62 MET N A 62 MET CA A 62 MET C 1.0 -141.1 -35.5 PHI 78 78 A 62 MET N A 62 MET CA A 62 MET C A 63 SER N 1.0 121.5 192.5 PSI 79 79 A 62 MET C A 63 SER N A 63 SER CA A 63 SER C 1.0 -80.7 -40.7 PHI 80 80 A 63 SER N A 63 SER CA A 63 SER C A 64 ASP N 1.0 -43.6 -3.6 PSI 81 81 A 63 SER C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -112.0 -63.0 PHI 82 82 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 GLY N 1.0 -23.6 27.4 PSI 83 83 A 65 GLY C A 66 THR N A 66 THR CA A 66 THR C 1.0 -100.2 -47.0 PHI 84 84 A 66 THR N A 66 THR CA A 66 THR C A 67 VAL N 1.0 107.1 149.3 PSI 85 85 A 66 THR C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -170.7 -30.7 PHI 86 86 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 LEU N 1.0 59.9 199.9 PSI 87 87 A 68 LEU C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -142.2 -54.0 PHI 88 88 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 PRO N 1.0 75.7 179.3 PSI 89 89 A 72 ASP C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -152.9 -69.3 PHI 90 90 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 TYR N 1.0 110.7 175.7 PSI 91 91 A 73 LEU C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -149.4 -47.6 PHI 92 92 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 PRO N 1.0 93.2 168.6 PSI 93 93 A 74 TYR C A 75 PRO N A 75 PRO CA A 75 PRO C 1.0 -91.4 -49.6 PHI 94 94 A 75 PRO N A 75 PRO CA A 75 PRO C A 76 LEU N 1.0 128.6 168.6 PSI 95 95 A 75 PRO C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -121.6 -54.6 PHI 96 96 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 PRO N 1.0 88.3 193.9 PSI 97 97 A 80 THR C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -186.5 -46.5 PHI 98 98 A 81 PHE N A 81 PHE CA A 81 PHE C A 82 ARG N 1.0 89.4 205.0 PSI 99 99 A 81 PHE C A 82 ARG N A 82 ARG CA A 82 ARG C 1.0 -160.4 -112.2 PHI 100 100 A 82 ARG N A 82 ARG CA A 82 ARG C A 83 LEU N 1.0 116.9 177.9 PSI 101 101 A 83 LEU C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -147.9 -87.9 PHI 102 102 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 TYR N 1.0 97.8 157.8 PSI 103 103 A 84 TYR C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -147.5 -75.7 PHI 104 104 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 THR N 1.0 99.2 145.4 PSI 105 105 A 85 TYR C A 86 THR N A 86 THR CA A 86 THR C 1.0 -139.3 -86.7 PHI 106 106 A 86 THR N A 86 THR CA A 86 THR C A 87 SER N 1.0 97.2 151.0 PSI 107 107 A 86 THR C A 87 SER N A 87 SER CA A 87 SER C 1.0 -136.7 -66.5 PHI 108 108 A 87 SER N A 87 SER CA A 87 SER C A 88 ALA N 1.0 82.9 161.9 PSI 109 109 A 88 ALA C A 89 SER N A 89 SER CA A 89 SER C 1.0 -205.6 -65.6 PHI 110 110 A 89 SER N A 89 SER CA A 89 SER C A 90 THR N 1.0 143.6 214.6 PSI 111 111 A 89 SER C A 90 THR N A 90 THR CA A 90 THR C 1.0 -128.7 -61.5 PHI 112 112 A 90 THR N A 90 THR CA A 90 THR C A 91 ASP N 1.0 -38.6 22.6 PSI 113 113 A 90 THR C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -205.3 -65.3 PHI 114 114 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 GLN N 1.0 87.2 200.6 PSI 115 115 A 91 ASP C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -98.2 -56.8 PHI 116 116 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 GLN N 1.0 103.8 168.4 PSI 117 117 A 92 GLN C A 93 GLN N A 93 GLN CA A 93 GLN C 1.0 -148.7 -83.5 PHI 118 118 A 93 GLN N A 93 GLN CA A 93 GLN C A 94 THR N 1.0 112.4 159.0 PSI 119 119 A 93 GLN C A 94 THR N A 94 THR CA A 94 THR C 1.0 -140.7 -89.7 PHI 120 120 A 94 THR N A 94 THR CA A 94 THR C A 95 VAL N 1.0 106.3 146.3 PSI 121 121 A 94 THR C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -150.6 -89.4 PHI 122 122 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 ASP N 1.0 102.7 158.9 PSI 123 123 A 95 VAL C A 96 ASP N A 96 ASP CA A 96 ASP C 1.0 -129.0 -78.2 PHI 124 124 A 96 ASP N A 96 ASP CA A 96 ASP C A 97 VAL N 1.0 112.0 163.0 PSI 125 125 A 96 ASP C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -144.7 -94.5 PHI 126 126 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 TYR N 1.0 107.8 155.8 PSI 127 127 A 97 VAL C A 98 TYR N A 98 TYR CA A 98 TYR C 1.0 -140.8 -87.4 PHI 128 128 A 98 TYR N A 98 TYR CA A 98 TYR C A 99 PHE N 1.0 100.6 159.8 PSI 129 129 A 98 TYR C A 99 PHE N A 99 PHE CA A 99 PHE C 1.0 -153.5 -110.5 PHI 130 130 A 99 PHE N A 99 PHE CA A 99 PHE C A 100 GLN N 1.0 112.4 180.6 PSI 131 131 A 99 PHE C A 100 GLN N A 100 GLN CA A 100 GLN C 1.0 -157.6 -104.4 PHI 132 132 A 100 GLN N A 100 GLN CA A 100 GLN C A 101 ASP N 1.0 119.0 176.2 PSI 133 133 A 101 ASP C A 102 SER N A 102 SER CA A 102 SER C 1.0 -82.8 -42.8 PHI 134 134 A 102 SER N A 102 SER CA A 102 SER C A 103 PHE N 1.0 -42.6 15.2 PSI 135 135 A 102 SER C A 103 PHE N A 103 PHE CA A 103 PHE C 1.0 -120.3 -80.3 PHI 136 136 A 103 PHE N A 103 PHE CA A 103 PHE C A 104 GLY N 1.0 -23.6 22.4 PSI 137 137 A 104 GLY C A 105 GLN N A 105 GLN CA A 105 GLN C 1.0 -103.0 -63.0 PHI 138 138 A 105 GLN N A 105 GLN CA A 105 GLN C A 106 LEU N 1.0 99.0 177.8 PSI 139 139 A 105 GLN C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -146.9 -106.9 PHI 140 140 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 GLN N 1.0 116.8 182.2 PSI 141 141 A 106 LEU C A 107 GLN N A 107 GLN CA A 107 GLN C 1.0 -163.0 -111.0 PHI 142 142 A 107 GLN N A 107 GLN CA A 107 GLN C A 108 GLN N 1.0 110.2 166.2 PSI 143 143 A 107 GLN C A 108 GLN N A 108 GLN CA A 108 GLN C 1.0 -149.0 -84.0 PHI 144 144 A 108 GLN N A 108 GLN CA A 108 GLN C A 109 LEU N 1.0 109.0 149.0 PSI 145 145 A 108 GLN C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -162.2 -89.8 PHI 146 146 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 THR N 1.0 110.6 150.6 PSI 147 147 A 109 LEU C A 110 THR N A 110 THR CA A 110 THR C 1.0 -136.2 -93.2 PHI 148 148 A 110 THR N A 110 THR CA A 110 THR C A 111 PHE N 1.0 114.4 154.4 PSI 149 149 A 110 THR C A 111 PHE N A 111 PHE CA A 111 PHE C 1.0 -156.0 -93.2 PHI 150 150 A 111 PHE N A 111 PHE CA A 111 PHE C A 112 SER N 1.0 119.7 159.7 PSI 151 151 A 111 PHE C A 112 SER N A 112 SER CA A 112 SER C 1.0 -153.9 -75.5 PHI 152 152 A 112 SER N A 112 SER CA A 112 SER C A 113 PHE N 1.0 109.3 158.9 PSI 153 153 A 112 SER C A 113 PHE N A 113 PHE CA A 113 PHE C 1.0 -158.2 -79.8 PHI 154 154 A 113 PHE N A 113 PHE CA A 113 PHE C A 114 ASN N 1.0 98.5 173.3 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2584.5 2 1H 10201 3 1H 15244 stop_ save_ save_Cnoesy_aliph_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14970 2 1H 10204 3 1H 15244 stop_ save_ save_4D_CC_noesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_CC_noesy_peak_list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.3 3 1H 4197.3 4 1H 8000 2 13C 3121.3 stop_ save_ save_Cnoesy_arom_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 6413.5 2 1H 10201 3 1H 15244 stop_ save_