data_nef_c16782_2kvo 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 ALA middle . . 3 A 3 GLU middle . . 4 A 4 ILE middle . . 5 A 5 GLN middle . . 6 A 6 PHE middle . . 7 A 7 SER middle . . 8 A 8 LYS middle . . 9 A 9 GLY middle . false 10 A 10 VAL middle . . 11 A 11 ALA middle . . 12 A 12 GLU middle . . 13 A 13 THR middle . . 14 A 14 VAL middle . . 15 A 15 VAL middle . . 16 A 16 PRO middle . false 17 A 17 GLU middle . . 18 A 18 VAL middle . . 19 A 19 ARG middle . . 20 A 20 LEU middle . . 21 A 21 SER middle . . 22 A 22 LYS middle . . 23 A 23 SER middle . . 24 A 24 LYS middle . . 25 A 25 ASN middle . . 26 A 26 GLY middle . false 27 A 27 GLN middle . . 28 A 28 SER middle . . 29 A 29 GLY middle . false 30 A 30 MET middle . . 31 A 31 ALA middle . . 32 A 32 LYS middle . . 33 A 33 PHE middle . . 34 A 34 TYR middle . . 35 A 35 PHE middle . . 36 A 36 LEU middle . . 37 A 37 GLU middle . . 38 A 38 PRO middle . false 39 A 39 THR middle . . 40 A 40 ILE middle . . 41 A 41 LEU middle . . 42 A 42 ALA middle . . 43 A 43 LYS middle . . 44 A 44 GLU middle . . 45 A 45 SER middle . . 46 A 46 THR middle . . 47 A 47 ASP middle . . 48 A 48 ASP middle . . 49 A 49 ILE middle . . 50 A 50 THR middle . . 51 A 51 GLY middle . false 52 A 52 MET middle . . 53 A 53 TYR middle . . 54 A 54 LEU middle . . 55 A 55 ILE middle . . 56 A 56 ASP middle . . 57 A 57 ASP middle . . 58 A 58 GLU middle . . 59 A 59 GLY middle . false 60 A 60 GLU middle . . 61 A 61 ILE middle . . 62 A 62 ILE middle . . 63 A 63 THR middle . . 64 A 64 ARG middle . . 65 A 65 GLU middle . . 66 A 66 VAL middle . . 67 A 67 LYS middle . . 68 A 68 GLY middle . false 69 A 69 LYS middle . . 70 A 70 PHE middle . . 71 A 71 ILE middle . . 72 A 72 ASN middle . . 73 A 73 GLY middle . false 74 A 74 ARG middle . . 75 A 75 PRO middle . false 76 A 76 THR middle . . 77 A 77 ALA middle . . 78 A 78 ILE middle . . 79 A 79 GLU middle . . 80 A 80 ALA middle . . 81 A 81 THR middle . . 82 A 82 VAL middle . . 83 A 83 ILE middle . . 84 A 84 LEU middle . . 85 A 85 ASN middle . . 86 A 86 SER middle . . 87 A 87 GLN middle . . 88 A 88 PRO middle . false 89 A 89 GLU middle . . 90 A 90 TRP middle . . 91 A 91 ASP middle . . 92 A 92 ARG middle . . 93 A 93 PHE middle . . 94 A 94 MET middle . . 95 A 95 ARG middle . . 96 A 96 PHE middle . . 97 A 97 MET middle . . 98 A 98 GLU middle . . 99 A 99 ARG middle . . 100 A 100 TYR middle . . 101 A 101 GLY middle . false 102 A 102 ALA middle . . 103 A 103 GLU middle . . 104 A 104 ASN middle . . 105 A 105 GLY middle . false 106 A 106 LEU middle . . 107 A 107 GLY middle . false 108 A 108 PHE middle . . 109 A 109 SER middle . . 110 A 110 LYS middle . . 111 A 111 SER middle . . 112 A 112 GLU middle . . 113 A 113 LEU middle . . 114 A 114 GLU middle . . 115 A 115 HIS middle . . 116 A 116 HIS middle . . 117 A 117 HIS middle . . 118 A 118 HIS middle . . 119 A 119 HIS middle . . 120 A 120 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 2 ALA HA H 1 4.81 0.02 A 2 ALA HB% H 1 1.33 0.02 A 2 ALA C C 13 173.2 0.2 A 2 ALA CA C 13 51.7 0.2 A 2 ALA CB C 13 19.3 0.2 A 3 GLU H H 1 9.49 0.02 A 3 GLU HA H 1 5 0.02 A 3 GLU HBx H 1 2.16 0.02 A 3 GLU HBy H 1 2.16 0.02 A 3 GLU HGy H 1 2.15 0.02 A 3 GLU HGx H 1 1.99 0.02 A 3 GLU C C 13 172.2 0.2 A 3 GLU CA C 13 55.4 0.2 A 3 GLU CB C 13 34.1 0.2 A 3 GLU CG C 13 36.2 0.2 A 3 GLU N N 15 119.1 0.2 A 4 ILE H H 1 9.3 0.02 A 4 ILE HA H 1 4.76 0.02 A 4 ILE HB H 1 1.72 0.02 A 4 ILE HD1% H 1 0.7 0.02 A 4 ILE HG1y H 1 1.63 0.02 A 4 ILE HG1x H 1 0.81 0.02 A 4 ILE HG2% H 1 0.38 0.02 A 4 ILE C C 13 174.7 0.2 A 4 ILE CA C 13 60.6 0.2 A 4 ILE CB C 13 39.9 0.2 A 4 ILE CD1 C 13 13.6 0.2 A 4 ILE CG1 C 13 28.1 0.2 A 4 ILE CG2 C 13 16.7 0.2 A 4 ILE N N 15 121.3 0.2 A 5 GLN H H 1 9.02 0.02 A 5 GLN HA H 1 4.92 0.02 A 5 GLN HBy H 1 2.08 0.02 A 5 GLN HBx H 1 1.66 0.02 A 5 GLN HE21 H 1 8.01 0.02 A 5 GLN HE22 H 1 6.7 0.02 A 5 GLN HGx H 1 2.19 0.02 A 5 GLN HGy H 1 2.19 0.02 A 5 GLN C C 13 174.9 0.2 A 5 GLN CA C 13 53.7 0.2 A 5 GLN CB C 13 31.5 0.2 A 5 GLN CG C 13 35.5 0.2 A 5 GLN N N 15 122.8 0.2 A 5 GLN NE2 N 15 111.9 0.2 A 6 PHE H H 1 9.68 0.02 A 6 PHE HA H 1 5.21 0.02 A 6 PHE HBy H 1 3.25 0.02 A 6 PHE HBx H 1 2.5 0.02 A 6 PHE HDx H 1 7.2 0.02 A 6 PHE HDy H 1 7.2 0.02 A 6 PHE HEx H 1 6.34 0.02 A 6 PHE HEy H 1 6.34 0.02 A 6 PHE C C 13 175.2 0.2 A 6 PHE CA C 13 59.2 0.2 A 6 PHE CB C 13 41.7 0.2 A 6 PHE CDx C 13 131.5 0.2 A 6 PHE CDy C 13 131.5 0.2 A 6 PHE CEx C 13 129.5 0.2 A 6 PHE CEy C 13 129.5 0.2 A 6 PHE N N 15 119.8 0.2 A 7 SER H H 1 8.05 0.02 A 7 SER HA H 1 4.54 0.02 A 7 SER HBx H 1 3.63 0.02 A 7 SER HBy H 1 3.63 0.02 A 7 SER C C 13 174.1 0.2 A 7 SER CA C 13 56.5 0.2 A 7 SER CB C 13 63.7 0.2 A 7 SER N N 15 114.8 0.2 A 8 LYS H H 1 8.46 0.02 A 8 LYS HA H 1 3.56 0.02 A 8 LYS HBy H 1 1.5 0.02 A 8 LYS HBx H 1 1.35 0.02 A 8 LYS HDy H 1 1.25 0.02 A 8 LYS HDx H 1 1.14 0.02 A 8 LYS HEx H 1 2.57 0.02 A 8 LYS HEy H 1 2.57 0.02 A 8 LYS HGy H 1 0.97 0.02 A 8 LYS HGx H 1 0.88 0.02 A 8 LYS C C 13 177.8 0.2 A 8 LYS CA C 13 58.5 0.2 A 8 LYS CB C 13 31.2 0.2 A 8 LYS CD C 13 28.3 0.2 A 8 LYS CE C 13 41.4 0.2 A 8 LYS CG C 13 24.3 0.2 A 8 LYS N N 15 126 0.2 A 9 GLY H H 1 8.16 0.02 A 9 GLY HAy H 1 4.18 0.02 A 9 GLY HAx H 1 3.58 0.02 A 9 GLY C C 13 173.9 0.2 A 9 GLY CA C 13 45.3 0.2 A 9 GLY N N 15 113.5 0.2 A 10 VAL H H 1 8.1 0.02 A 10 VAL HA H 1 4.14 0.02 A 10 VAL HB H 1 2.13 0.02 A 10 VAL HG1% H 1 0.79 0.02 A 10 VAL HG2% H 1 0.7 0.02 A 10 VAL C C 13 175.1 0.2 A 10 VAL CA C 13 61.4 0.2 A 10 VAL CB C 13 32.9 0.2 A 10 VAL CG1 C 13 20.8 0.2 A 10 VAL CG2 C 13 20.3 0.2 A 10 VAL N N 15 123.2 0.2 A 11 ALA H H 1 8.71 0.02 A 11 ALA HA H 1 4.48 0.02 A 11 ALA HB% H 1 1.37 0.02 A 11 ALA C C 13 177.9 0.2 A 11 ALA CA C 13 52.6 0.2 A 11 ALA CB C 13 18.3 0.2 A 11 ALA N N 15 131 0.2 A 12 GLU H H 1 9.49 0.02 A 12 GLU HA H 1 4.39 0.02 A 12 GLU HBy H 1 2.13 0.02 A 12 GLU HBx H 1 1.91 0.02 A 12 GLU HGy H 1 2.6 0.02 A 12 GLU HGx H 1 2.31 0.02 A 12 GLU C C 13 176.7 0.2 A 12 GLU CA C 13 56 0.2 A 12 GLU CB C 13 30.2 0.2 A 12 GLU CG C 13 37.5 0.2 A 12 GLU N N 15 125.7 0.2 A 13 THR H H 1 7.68 0.02 A 13 THR HA H 1 4.44 0.02 A 13 THR HB H 1 4.39 0.02 A 13 THR HG2% H 1 1.26 0.02 A 13 THR C C 13 176.1 0.2 A 13 THR CA C 13 62.6 0.2 A 13 THR CB C 13 69.2 0.2 A 13 THR CG2 C 13 22.1 0.2 A 13 THR N N 15 118.8 0.2 A 14 VAL H H 1 9.13 0.02 A 14 VAL HA H 1 4.09 0.02 A 14 VAL HB H 1 2.25 0.02 A 14 VAL HG1% H 1 1.1 0.02 A 14 VAL HG2% H 1 1.31 0.02 A 14 VAL C C 13 175.7 0.2 A 14 VAL CA C 13 64.9 0.2 A 14 VAL CB C 13 32.1 0.2 A 14 VAL CG1 C 13 21.2 0.2 A 14 VAL CG2 C 13 23.7 0.2 A 14 VAL N N 15 126.9 0.2 A 15 VAL H H 1 8.62 0.02 A 15 VAL HA H 1 4.5 0.02 A 15 VAL HB H 1 2.05 0.02 A 15 VAL HG1% H 1 1.16 0.02 A 15 VAL HG2% H 1 1.13 0.02 A 15 VAL CA C 13 59.6 0.2 A 15 VAL CB C 13 33.1 0.2 A 15 VAL CG1 C 13 20.9 0.2 A 15 VAL CG2 C 13 21.6 0.2 A 15 VAL N N 15 131.3 0.2 A 16 PRO HA H 1 4.44 0.02 A 16 PRO HBy H 1 1.14 0.02 A 16 PRO HBx H 1 -0.22 0.02 A 16 PRO HDy H 1 4.21 0.02 A 16 PRO HDx H 1 3.82 0.02 A 16 PRO HGy H 1 1.59 0.02 A 16 PRO HGx H 1 1.5 0.02 A 16 PRO C C 13 176.5 0.2 A 16 PRO CA C 13 61.9 0.2 A 16 PRO CB C 13 29.9 0.2 A 16 PRO CD C 13 50.8 0.2 A 16 PRO CG C 13 25.7 0.2 A 17 GLU H H 1 8.39 0.02 A 17 GLU HA H 1 4.45 0.02 A 17 GLU HBx H 1 2.03 0.02 A 17 GLU HBy H 1 2.03 0.02 A 17 GLU HGy H 1 2.39 0.02 A 17 GLU HGx H 1 2.11 0.02 A 17 GLU C C 13 176.3 0.2 A 17 GLU CA C 13 55.8 0.2 A 17 GLU CB C 13 31.4 0.2 A 17 GLU CG C 13 36.6 0.2 A 17 GLU N N 15 117.5 0.2 A 18 VAL H H 1 8.64 0.02 A 18 VAL HA H 1 4.79 0.02 A 18 VAL HB H 1 1.59 0.02 A 18 VAL HG1% H 1 0.31 0.02 A 18 VAL HG2% H 1 0.1 0.02 A 18 VAL C C 13 175.1 0.2 A 18 VAL CA C 13 60.8 0.2 A 18 VAL CB C 13 33.7 0.2 A 18 VAL CG1 C 13 20.5 0.2 A 18 VAL CG2 C 13 21.1 0.2 A 18 VAL N N 15 125.9 0.2 A 19 ARG H H 1 8.87 0.02 A 19 ARG HA H 1 4.8 0.02 A 19 ARG HBy H 1 1.77 0.02 A 19 ARG HBx H 1 1.65 0.02 A 19 ARG HDy H 1 3.14 0.02 A 19 ARG HDx H 1 3.05 0.02 A 19 ARG HE H 1 7.20 0.02 A 19 ARG HGy H 1 1.64 0.02 A 19 ARG HGx H 1 1.51 0.02 A 19 ARG C C 13 175.3 0.2 A 19 ARG CA C 13 54.4 0.2 A 19 ARG CB C 13 32.9 0.2 A 19 ARG CD C 13 43.1 0.2 A 19 ARG CG C 13 27.2 0.2 A 19 ARG N N 15 126.5 0.2 A 19 ARG NE N 15 84.9 0.2 A 20 LEU H H 1 9.20 0.02 A 20 LEU HA H 1 5.13 0.02 A 20 LEU HBy H 1 1.76 0.02 A 20 LEU HBx H 1 1.62 0.02 A 20 LEU HD1% H 1 0.83 0.02 A 20 LEU HD2% H 1 0.8 0.02 A 20 LEU HG H 1 1.63 0.02 A 20 LEU C C 13 176.3 0.2 A 20 LEU CA C 13 54.2 0.2 A 20 LEU CB C 13 44.6 0.2 A 20 LEU CD1 C 13 25.2 0.2 A 20 LEU CD2 C 13 23.6 0.2 A 20 LEU CG C 13 27.8 0.2 A 20 LEU N N 15 127.4 0.2 A 21 SER H H 1 9.06 0.02 A 21 SER HA H 1 4.80 0.02 A 21 SER HBy H 1 3.80 0.02 A 21 SER HBx H 1 3.74 0.02 A 21 SER C C 13 172.6 0.2 A 21 SER CA C 13 57.4 0.2 A 21 SER CB C 13 65.2 0.2 A 21 SER N N 15 117.5 0.2 A 22 LYS H H 1 8.62 0.02 A 22 LYS HA H 1 4.75 0.02 A 22 LYS HBy H 1 1.66 0.02 A 22 LYS HBx H 1 1.51 0.02 A 22 LYS HDy H 1 1.17 0.02 A 22 LYS HDx H 1 1.16 0.02 A 22 LYS HEx H 1 2.27 0.02 A 22 LYS HEy H 1 2.27 0.02 A 22 LYS HGy H 1 1.19 0.02 A 22 LYS HGx H 1 1.1 0.02 A 22 LYS C C 13 176.4 0.2 A 22 LYS CA C 13 55.4 0.2 A 22 LYS CB C 13 35.3 0.2 A 22 LYS CD C 13 28.9 0.2 A 22 LYS CE C 13 41.5 0.2 A 22 LYS CG C 13 24.7 0.2 A 22 LYS N N 15 123.3 0.2 A 23 SER H H 1 8.6 0.02 A 23 SER HA H 1 4.35 0.02 A 23 SER HBy H 1 3.93 0.02 A 23 SER HBx H 1 3.79 0.02 A 23 SER C C 13 175.3 0.2 A 23 SER CA C 13 58.2 0.2 A 23 SER CB C 13 64 0.2 A 23 SER N N 15 119.6 0.2 A 24 LYS H H 1 8.72 0.02 A 24 LYS HA H 1 4.07 0.02 A 24 LYS HBx H 1 1.78 0.02 A 24 LYS HBy H 1 1.78 0.02 A 24 LYS HDx H 1 1.64 0.02 A 24 LYS HDy H 1 1.64 0.02 A 24 LYS HEx H 1 2.96 0.02 A 24 LYS HEy H 1 2.96 0.02 A 24 LYS HGx H 1 1.42 0.02 A 24 LYS HGy H 1 1.42 0.02 A 24 LYS C C 13 177.2 0.2 A 24 LYS CA C 13 58.4 0.2 A 24 LYS CB C 13 32.4 0.2 A 24 LYS CD C 13 29.1 0.2 A 24 LYS CE C 13 42.0 0.2 A 24 LYS CG C 13 25 0.2 A 24 LYS N N 15 123.8 0.2 A 25 ASN H H 1 8.37 0.02 A 25 ASN HA H 1 4.6 0.02 A 25 ASN HBy H 1 2.96 0.02 A 25 ASN HBx H 1 2.83 0.02 A 25 ASN HD21 H 1 7.65 0.02 A 25 ASN HD22 H 1 6.95 0.02 A 25 ASN C C 13 175.9 0.2 A 25 ASN CA C 13 53 0.2 A 25 ASN CB C 13 38.1 0.2 A 25 ASN CG C 13 177.3 0.2 A 25 ASN N N 15 115.5 0.2 A 25 ASN ND2 N 15 112.5 0.2 A 26 GLY H H 1 8 0.02 A 26 GLY HAy H 1 4.02 0.02 A 26 GLY HAx H 1 3.64 0.02 A 26 GLY C C 13 173.6 0.2 A 26 GLY CA C 13 45.7 0.2 A 26 GLY N N 15 108.1 0.2 A 27 GLN H H 1 8.01 0.02 A 27 GLN HA H 1 4.23 0.02 A 27 GLN HBy H 1 2.15 0.02 A 27 GLN HBx H 1 1.86 0.02 A 27 GLN HE2y H 1 7.46 0.02 A 27 GLN HE2x H 1 6.86 0.02 A 27 GLN HGx H 1 2.25 0.02 A 27 GLN HGy H 1 2.25 0.02 A 27 GLN C C 13 174.6 0.2 A 27 GLN CA C 13 55.8 0.2 A 27 GLN CB C 13 29.6 0.2 A 27 GLN CD C 13 180.3 0.2 A 27 GLN CG C 13 33.8 0.2 A 27 GLN N N 15 117.4 0.2 A 27 GLN NE2 N 15 112.5 0.2 A 28 SER H H 1 7.79 0.02 A 28 SER HA H 1 4.77 0.02 A 28 SER HBy H 1 4.03 0.02 A 28 SER HBx H 1 3.9 0.02 A 28 SER C C 13 173.9 0.2 A 28 SER CA C 13 57.6 0.2 A 28 SER CB C 13 65.1 0.2 A 28 SER N N 15 111.6 0.2 A 29 GLY H H 1 8.96 0.02 A 29 GLY HAy H 1 4.51 0.02 A 29 GLY HAx H 1 4.42 0.02 A 29 GLY C C 13 172 0.2 A 29 GLY CA C 13 46.2 0.2 A 29 GLY N N 15 108.2 0.2 A 30 MET H H 1 9.06 0.02 A 30 MET HA H 1 5.08 0.02 A 30 MET HBy H 1 1.96 0.02 A 30 MET HBx H 1 1.76 0.02 A 30 MET HGx H 1 2.3 0.02 A 30 MET HGy H 1 2.3 0.02 A 30 MET C C 13 172.5 0.2 A 30 MET CA C 13 54.9 0.2 A 30 MET CB C 13 36.6 0.2 A 30 MET CG C 13 31.1 0.2 A 30 MET N N 15 119.3 0.2 A 31 ALA H H 1 8.96 0.02 A 31 ALA HA H 1 5.10 0.02 A 31 ALA HB% H 1 0.81 0.02 A 31 ALA C C 13 175.4 0.2 A 31 ALA CA C 13 50.2 0.2 A 31 ALA CB C 13 23.7 0.2 A 31 ALA N N 15 123.8 0.2 A 32 LYS H H 1 8.94 0.02 A 32 LYS HA H 1 5.13 0.02 A 32 LYS HBx H 1 1.67 0.02 A 32 LYS HBy H 1 1.67 0.02 A 32 LYS HDx H 1 1.6 0.02 A 32 LYS HDy H 1 1.6 0.02 A 32 LYS HEx H 1 2.87 0.02 A 32 LYS HEy H 1 2.87 0.02 A 32 LYS HGx H 1 1.41 0.02 A 32 LYS HGy H 1 1.41 0.02 A 32 LYS C C 13 174.8 0.2 A 32 LYS CA C 13 55.2 0.2 A 32 LYS CB C 13 34.7 0.2 A 32 LYS CD C 13 29.1 0.2 A 32 LYS CE C 13 42.1 0.2 A 32 LYS CG C 13 25.2 0.2 A 32 LYS N N 15 123.3 0.2 A 33 PHE H H 1 9.72 0.02 A 33 PHE HA H 1 5.07 0.02 A 33 PHE HBy H 1 3.31 0.02 A 33 PHE HBx H 1 2.62 0.02 A 33 PHE HDx H 1 7 0.02 A 33 PHE HDy H 1 7 0.02 A 33 PHE HEx H 1 6.97 0.02 A 33 PHE HEy H 1 6.97 0.02 A 33 PHE C C 13 174.8 0.2 A 33 PHE CA C 13 56.2 0.2 A 33 PHE CB C 13 42.3 0.2 A 33 PHE CDx C 13 131.5 0.2 A 33 PHE CDy C 13 131.5 0.2 A 33 PHE CEx C 13 130.7 0.2 A 33 PHE CEy C 13 130.7 0.2 A 33 PHE N N 15 124.3 0.2 A 34 TYR H H 1 9.1 0.02 A 34 TYR HA H 1 5.32 0.02 A 34 TYR HBy H 1 2.94 0.02 A 34 TYR HBx H 1 2.89 0.02 A 34 TYR HDx H 1 6.99 0.02 A 34 TYR HDy H 1 6.99 0.02 A 34 TYR HEx H 1 6.56 0.02 A 34 TYR HEy H 1 6.56 0.02 A 34 TYR C C 13 174.3 0.2 A 34 TYR CA C 13 57.2 0.2 A 34 TYR CB C 13 41.1 0.2 A 34 TYR CDx C 13 133.1 0.2 A 34 TYR CDy C 13 133.1 0.2 A 34 TYR CEx C 13 118 0.2 A 34 TYR CEy C 13 118 0.2 A 34 TYR N N 15 123.2 0.2 A 35 PHE H H 1 9.25 0.02 A 35 PHE HA H 1 4.63 0.02 A 35 PHE HBy H 1 3.02 0.02 A 35 PHE HBx H 1 2.4 0.02 A 35 PHE HDx H 1 7.19 0.02 A 35 PHE HDy H 1 7.19 0.02 A 35 PHE HEx H 1 7.16 0.02 A 35 PHE HEy H 1 7.16 0.02 A 35 PHE C C 13 173.7 0.2 A 35 PHE CA C 13 55.7 0.2 A 35 PHE CB C 13 41.2 0.2 A 35 PHE CDx C 13 131.2 0.2 A 35 PHE CDy C 13 131.2 0.2 A 35 PHE CEx C 13 129.4 0.2 A 35 PHE CEy C 13 129.4 0.2 A 35 PHE N N 15 124.4 0.2 A 36 LEU H H 1 8.7 0.02 A 36 LEU HA H 1 4.4 0.02 A 36 LEU HBy H 1 1.81 0.02 A 36 LEU HBx H 1 1.45 0.02 A 36 LEU HD1% H 1 1 0.02 A 36 LEU HD2% H 1 0.93 0.02 A 36 LEU HG H 1 1.5 0.02 A 36 LEU C C 13 174.3 0.2 A 36 LEU CA C 13 54.4 0.2 A 36 LEU CB C 13 42.2 0.2 A 36 LEU CD1 C 13 23.5 0.2 A 36 LEU CD2 C 13 25.3 0.2 A 36 LEU CG C 13 27.3 0.2 A 36 LEU N N 15 126.7 0.2 A 37 GLU H H 1 8.89 0.02 A 37 GLU HA H 1 3.69 0.02 A 37 GLU HBy H 1 2.09 0.02 A 37 GLU HBx H 1 1.92 0.02 A 37 GLU HGx H 1 2.29 0.02 A 37 GLU HGy H 1 2.29 0.02 A 37 GLU CA C 13 56.8 0.2 A 37 GLU CB C 13 28.1 0.2 A 37 GLU CG C 13 36 0.2 A 37 GLU N N 15 121.2 0.2 A 38 PRO HA H 1 4.46 0.02 A 38 PRO HBy H 1 2.08 0.02 A 38 PRO HBx H 1 1.66 0.02 A 38 PRO HDx H 1 3.3 0.02 A 38 PRO HDy H 1 3.3 0.02 A 38 PRO HGy H 1 1.56 0.02 A 38 PRO HGx H 1 1.29 0.02 A 38 PRO C C 13 177.8 0.2 A 38 PRO CA C 13 62.8 0.2 A 38 PRO CB C 13 30.1 0.2 A 38 PRO CD C 13 49.8 0.2 A 38 PRO CG C 13 27.5 0.2 A 39 THR H H 1 10.42 0.02 A 39 THR HA H 1 4.04 0.02 A 39 THR HB H 1 4.39 0.02 A 39 THR HG2% H 1 1.41 0.02 A 39 THR C C 13 178.8 0.2 A 39 THR CA C 13 65.7 0.2 A 39 THR CB C 13 69.5 0.2 A 39 THR CG2 C 13 22.8 0.2 A 39 THR N N 15 120.7 0.2 A 40 ILE H H 1 8.62 0.02 A 40 ILE HA H 1 4.21 0.02 A 40 ILE HB H 1 2.13 0.02 A 40 ILE HD1% H 1 0.97 0.02 A 40 ILE HG1y H 1 1.22 0.02 A 40 ILE HG1x H 1 0.99 0.02 A 40 ILE HG2% H 1 0.18 0.02 A 40 ILE C C 13 175.5 0.2 A 40 ILE CA C 13 59.9 0.2 A 40 ILE CB C 13 37.2 0.2 A 40 ILE CD1 C 13 14.2 0.2 A 40 ILE CG1 C 13 29.1 0.2 A 40 ILE CG2 C 13 19.3 0.2 A 40 ILE N N 15 122.3 0.2 A 41 LEU H H 1 6.98 0.02 A 41 LEU HA H 1 4.29 0.02 A 41 LEU HBy H 1 1.60 0.02 A 41 LEU HBx H 1 1.42 0.02 A 41 LEU HD1% H 1 0.48 0.02 A 41 LEU HD2% H 1 0.52 0.02 A 41 LEU HG H 1 1.23 0.02 A 41 LEU C C 13 177.5 0.2 A 41 LEU CA C 13 55.3 0.2 A 41 LEU CB C 13 40.7 0.2 A 41 LEU CD1 C 13 25.7 0.2 A 41 LEU CD2 C 13 22.0 0.2 A 41 LEU CG C 13 27.3 0.2 A 41 LEU N N 15 118.6 0.2 A 42 ALA H H 1 7.67 0.02 A 42 ALA HA H 1 4.26 0.02 A 42 ALA HB% H 1 1.45 0.02 A 42 ALA C C 13 178 0.2 A 42 ALA CA C 13 53.1 0.2 A 42 ALA CB C 13 18.9 0.2 A 42 ALA N N 15 120.7 0.2 A 43 LYS H H 1 7.62 0.02 A 43 LYS HA H 1 4.37 0.02 A 43 LYS HBy H 1 1.91 0.02 A 43 LYS HBx H 1 1.78 0.02 A 43 LYS HDx H 1 1.63 0.02 A 43 LYS HDy H 1 1.63 0.02 A 43 LYS HEx H 1 2.94 0.02 A 43 LYS HEy H 1 2.94 0.02 A 43 LYS HGy H 1 1.44 0.02 A 43 LYS HGx H 1 1.38 0.02 A 43 LYS C C 13 175.9 0.2 A 43 LYS CA C 13 56.5 0.2 A 43 LYS CB C 13 34.9 0.2 A 43 LYS CD C 13 29.1 0.2 A 43 LYS CE C 13 42.1 0.2 A 43 LYS CG C 13 24.9 0.2 A 43 LYS N N 15 116.8 0.2 A 44 GLU H H 1 8.08 0.02 A 44 GLU HA H 1 4.50 0.02 A 44 GLU HBy H 1 2.08 0.02 A 44 GLU HBx H 1 1.65 0.02 A 44 GLU HGy H 1 2.17 0.02 A 44 GLU HGx H 1 2.11 0.02 A 44 GLU C C 13 175.2 0.2 A 44 GLU CA C 13 55 0.2 A 44 GLU CB C 13 31.5 0.2 A 44 GLU CG C 13 35.1 0.2 A 44 GLU N N 15 117.9 0.2 A 45 SER H H 1 8.62 0.02 A 45 SER HA H 1 4.55 0.02 A 45 SER HBy H 1 4.01 0.02 A 45 SER HBx H 1 3.8 0.02 A 45 SER C C 13 176.5 0.2 A 45 SER CA C 13 57.2 0.2 A 45 SER CB C 13 64.1 0.2 A 45 SER N N 15 114.7 0.2 A 46 THR H H 1 8.6 0.02 A 46 THR HA H 1 3.86 0.02 A 46 THR HB H 1 4.24 0.02 A 46 THR HG2% H 1 1.1 0.02 A 46 THR C C 13 176.4 0.2 A 46 THR CA C 13 64.8 0.2 A 46 THR CB C 13 68.1 0.2 A 46 THR CG2 C 13 22.4 0.2 A 46 THR N N 15 115.7 0.2 A 47 ASP H H 1 8.12 0.02 A 47 ASP HA H 1 4.41 0.02 A 47 ASP HBy H 1 2.66 0.02 A 47 ASP HBx H 1 2.42 0.02 A 47 ASP C C 13 176.1 0.2 A 47 ASP CA C 13 56 0.2 A 47 ASP CB C 13 40.7 0.2 A 47 ASP N N 15 120.2 0.2 A 48 ASP H H 1 7.78 0.02 A 48 ASP HA H 1 4.68 0.02 A 48 ASP HBy H 1 2.81 0.02 A 48 ASP HBx H 1 2.61 0.02 A 48 ASP C C 13 175.8 0.2 A 48 ASP CA C 13 54.4 0.2 A 48 ASP CB C 13 41.8 0.2 A 48 ASP N N 15 117.3 0.2 A 49 ILE H H 1 7.43 0.02 A 49 ILE HA H 1 4.17 0.02 A 49 ILE HB H 1 1.74 0.02 A 49 ILE HD1% H 1 0.38 0.02 A 49 ILE HG1y H 1 1.54 0.02 A 49 ILE HG1x H 1 0.75 0.02 A 49 ILE HG2% H 1 0.76 0.02 A 49 ILE C C 13 176 0.2 A 49 ILE CA C 13 61.5 0.2 A 49 ILE CB C 13 37.6 0.2 A 49 ILE CD1 C 13 14.2 0.2 A 49 ILE CG1 C 13 26.6 0.2 A 49 ILE CG2 C 13 17.9 0.2 A 49 ILE N N 15 122.9 0.2 A 50 THR H H 1 8.49 0.02 A 50 THR HA H 1 4.47 0.02 A 50 THR HB H 1 4.46 0.02 A 50 THR HG2% H 1 1.18 0.02 A 50 THR C C 13 174.6 0.2 A 50 THR CA C 13 61.3 0.2 A 50 THR CB C 13 70.2 0.2 A 50 THR CG2 C 13 21.4 0.2 A 50 THR N N 15 116.1 0.2 A 51 GLY H H 1 7.75 0.02 A 51 GLY HAy H 1 4.23 0.02 A 51 GLY HAx H 1 3.53 0.02 A 51 GLY C C 13 182.1 0.2 A 51 GLY CA C 13 45.3 0.2 A 51 GLY N N 15 109.4 0.2 A 52 MET H H 1 8.05 0.02 A 52 MET HA H 1 4.45 0.02 A 52 MET HBy H 1 1.41 0.02 A 52 MET HBx H 1 1.21 0.02 A 52 MET HE% H 1 1.7 0.02 A 52 MET HGy H 1 1.37 0.02 A 52 MET HGx H 1 1.09 0.02 A 52 MET C C 13 172.3 0.2 A 52 MET CA C 13 54.7 0.2 A 52 MET CB C 13 36.4 0.2 A 52 MET CE C 13 16.0 0.2 A 52 MET CG C 13 31.8 0.2 A 52 MET N N 15 117.5 0.2 A 53 TYR H H 1 8.95 0.02 A 53 TYR HA H 1 4.7 0.02 A 53 TYR HBy H 1 2.73 0.02 A 53 TYR HBx H 1 2.44 0.02 A 53 TYR HDx H 1 6.77 0.02 A 53 TYR HDy H 1 6.77 0.02 A 53 TYR HEx H 1 6.58 0.02 A 53 TYR HEy H 1 6.58 0.02 A 53 TYR C C 13 173.9 0.2 A 53 TYR CA C 13 56 0.2 A 53 TYR CB C 13 39.5 0.2 A 53 TYR CDx C 13 133.8 0.2 A 53 TYR CDy C 13 133.8 0.2 A 53 TYR CEx C 13 117.2 0.2 A 53 TYR CEy C 13 117.2 0.2 A 53 TYR N N 15 124.9 0.2 A 54 LEU H H 1 9.05 0.02 A 54 LEU HA H 1 4.35 0.02 A 54 LEU HBy H 1 1.26 0.02 A 54 LEU HBx H 1 -0.85 0.02 A 54 LEU HD1% H 1 0.33 0.02 A 54 LEU HD2% H 1 0.13 0.02 A 54 LEU HG H 1 0.93 0.02 A 54 LEU C C 13 175.1 0.2 A 54 LEU CA C 13 53.5 0.2 A 54 LEU CB C 13 38.7 0.2 A 54 LEU CD1 C 13 25.4 0.2 A 54 LEU CD2 C 13 23.9 0.2 A 54 LEU CG C 13 25.9 0.2 A 54 LEU N N 15 123.9 0.2 A 55 ILE H H 1 8.88 0.02 A 55 ILE HA H 1 4.79 0.02 A 55 ILE HB H 1 1.73 0.02 A 55 ILE HD1% H 1 0.59 0.02 A 55 ILE HG1y H 1 1.28 0.02 A 55 ILE HG1x H 1 1.05 0.02 A 55 ILE HG2% H 1 0.87 0.02 A 55 ILE C C 13 175.3 0.2 A 55 ILE CA C 13 60.2 0.2 A 55 ILE CB C 13 40.6 0.2 A 55 ILE CD1 C 13 13.7 0.2 A 55 ILE CG1 C 13 27.6 0.2 A 55 ILE CG2 C 13 17.8 0.2 A 55 ILE N N 15 123.9 0.2 A 56 ASP H H 1 8.96 0.02 A 56 ASP HA H 1 4.89 0.02 A 56 ASP HBx H 1 3.12 0.02 A 56 ASP HBy H 1 3.12 0.02 A 56 ASP C C 13 176.1 0.2 A 56 ASP CA C 13 53.5 0.2 A 56 ASP CB C 13 42.3 0.2 A 56 ASP N N 15 126.1 0.2 A 57 ASP H H 1 8.63 0.02 A 57 ASP HA H 1 4.34 0.02 A 57 ASP HBx H 1 2.74 0.02 A 57 ASP HBy H 1 2.74 0.02 A 57 ASP C C 13 177.1 0.2 A 57 ASP CA C 13 55.7 0.2 A 57 ASP CB C 13 39.8 0.2 A 57 ASP N N 15 115.3 0.2 A 58 GLU H H 1 8.81 0.02 A 58 GLU HA H 1 4.34 0.02 A 58 GLU HBy H 1 2.03 0.02 A 58 GLU HBx H 1 1.72 0.02 A 58 GLU HGx H 1 1.96 0.02 A 58 GLU HGy H 1 1.96 0.02 A 58 GLU C C 13 176 0.2 A 58 GLU CA C 13 56.3 0.2 A 58 GLU CB C 13 30.4 0.2 A 58 GLU CG C 13 36.3 0.2 A 58 GLU N N 15 119.7 0.2 A 59 GLY H H 1 7.73 0.02 A 59 GLY HAy H 1 4.46 0.02 A 59 GLY HAx H 1 3.71 0.02 A 59 GLY C C 13 170.3 0.2 A 59 GLY CA C 13 45.3 0.2 A 59 GLY N N 15 108.7 0.2 A 60 GLU H H 1 8.21 0.02 A 60 GLU HA H 1 5.51 0.02 A 60 GLU HBy H 1 1.84 0.02 A 60 GLU HBx H 1 1.76 0.02 A 60 GLU HGx H 1 2.05 0.02 A 60 GLU HGy H 1 2.05 0.02 A 60 GLU C C 13 175.9 0.2 A 60 GLU CA C 13 53.9 0.2 A 60 GLU CB C 13 33.6 0.2 A 60 GLU CG C 13 35.6 0.2 A 60 GLU N N 15 119.4 0.2 A 61 ILE H H 1 9.24 0.02 A 61 ILE HA H 1 4.15 0.02 A 61 ILE HB H 1 1.52 0.02 A 61 ILE HD1% H 1 0.76 0.02 A 61 ILE HG1y H 1 1.47 0.02 A 61 ILE HG1x H 1 0.87 0.02 A 61 ILE HG2% H 1 0.71 0.02 A 61 ILE C C 13 174.2 0.2 A 61 ILE CA C 13 61 0.2 A 61 ILE CB C 13 40.8 0.2 A 61 ILE CD1 C 13 14.8 0.2 A 61 ILE CG1 C 13 26.5 0.2 A 61 ILE CG2 C 13 16.8 0.2 A 61 ILE N N 15 126.3 0.2 A 62 ILE H H 1 8.54 0.02 A 62 ILE HA H 1 4.73 0.02 A 62 ILE HB H 1 1.43 0.02 A 62 ILE HD1% H 1 0.73 0.02 A 62 ILE HG1y H 1 1.22 0.02 A 62 ILE HG1x H 1 0.69 0.02 A 62 ILE HG2% H 1 0.42 0.02 A 62 ILE C C 13 176.7 0.2 A 62 ILE CA C 13 59.8 0.2 A 62 ILE CB C 13 41.3 0.2 A 62 ILE CD1 C 13 14.0 0.2 A 62 ILE CG1 C 13 27.7 0.2 A 62 ILE CG2 C 13 16.5 0.2 A 62 ILE N N 15 125.1 0.2 A 63 THR H H 1 8.22 0.02 A 63 THR HA H 1 4.86 0.02 A 63 THR HB H 1 3.97 0.02 A 63 THR HG1 H 1 6.12 0.02 A 63 THR HG2% H 1 0.86 0.02 A 63 THR C C 13 171.5 0.2 A 63 THR CA C 13 57.9 0.2 A 63 THR CB C 13 70.2 0.2 A 63 THR CG2 C 13 21.4 0.2 A 63 THR N N 15 118.2 0.2 A 64 ARG H H 1 8.98 0.02 A 64 ARG HA H 1 4.78 0.02 A 64 ARG HBy H 1 2.23 0.02 A 64 ARG HBx H 1 1.68 0.02 A 64 ARG HDx H 1 3.14 0.02 A 64 ARG HDy H 1 3.14 0.02 A 64 ARG HE H 1 7.26 0.02 A 64 ARG HGy H 1 1.66 0.02 A 64 ARG HGx H 1 1.55 0.02 A 64 ARG C C 13 176.3 0.2 A 64 ARG CA C 13 54.5 0.2 A 64 ARG CB C 13 29.3 0.2 A 64 ARG CD C 13 42.7 0.2 A 64 ARG CG C 13 27 0.2 A 64 ARG N N 15 124.5 0.2 A 64 ARG NE N 15 84.6 0.2 A 65 GLU H H 1 8.32 0.02 A 65 GLU HA H 1 4.49 0.02 A 65 GLU HBy H 1 2.21 0.02 A 65 GLU HBx H 1 2.12 0.02 A 65 GLU HGx H 1 2.17 0.02 A 65 GLU HGy H 1 2.17 0.02 A 65 GLU C C 13 173.9 0.2 A 65 GLU CA C 13 54.8 0.2 A 65 GLU CB C 13 27.2 0.2 A 65 GLU CG C 13 35.1 0.2 A 65 GLU N N 15 124.5 0.2 A 66 VAL H H 1 7.34 0.02 A 66 VAL HA H 1 4.66 0.02 A 66 VAL HB H 1 1.68 0.02 A 66 VAL HG1% H 1 0.67 0.02 A 66 VAL HG2% H 1 0.64 0.02 A 66 VAL C C 13 174.3 0.2 A 66 VAL CA C 13 60.8 0.2 A 66 VAL CB C 13 35.3 0.2 A 66 VAL CG1 C 13 21.9 0.2 A 66 VAL CG2 C 13 21.4 0.2 A 66 VAL N N 15 122.1 0.2 A 67 LYS H H 1 9.01 0.02 A 67 LYS HA H 1 4.78 0.02 A 67 LYS HBy H 1 1.87 0.02 A 67 LYS HBx H 1 1.76 0.02 A 67 LYS HDx H 1 1.7 0.02 A 67 LYS HDy H 1 1.7 0.02 A 67 LYS HEx H 1 2.96 0.02 A 67 LYS HEy H 1 2.96 0.02 A 67 LYS HGx H 1 1.41 0.02 A 67 LYS HGy H 1 1.41 0.02 A 67 LYS C C 13 175.2 0.2 A 67 LYS CA C 13 54.7 0.2 A 67 LYS CB C 13 36.3 0.2 A 67 LYS CD C 13 29 0.2 A 67 LYS CE C 13 42 0.2 A 67 LYS CG C 13 24.2 0.2 A 67 LYS N N 15 125.5 0.2 A 68 GLY H H 1 9.04 0.02 A 68 GLY HAy H 1 4.53 0.02 A 68 GLY HAx H 1 3.27 0.02 A 68 GLY C C 13 172.2 0.2 A 68 GLY CA C 13 44.4 0.2 A 68 GLY N N 15 110.5 0.2 A 69 LYS H H 1 8.24 0.02 A 69 LYS HA H 1 4.7 0.02 A 69 LYS HBy H 1 1.75 0.02 A 69 LYS HBx H 1 1.56 0.02 A 69 LYS HDx H 1 1.68 0.02 A 69 LYS HDy H 1 1.68 0.02 A 69 LYS HEy H 1 2.96 0.02 A 69 LYS HEx H 1 2.88 0.02 A 69 LYS HGy H 1 1.4 0.02 A 69 LYS HGx H 1 1.25 0.02 A 69 LYS C C 13 175 0.2 A 69 LYS CA C 13 54.2 0.2 A 69 LYS CB C 13 33.8 0.2 A 69 LYS CD C 13 28.3 0.2 A 69 LYS CE C 13 42 0.2 A 69 LYS CG C 13 24.1 0.2 A 69 LYS N N 15 122.2 0.2 A 70 PHE H H 1 9.01 0.02 A 70 PHE HA H 1 5.04 0.02 A 70 PHE HBy H 1 2.93 0.02 A 70 PHE HBx H 1 2.52 0.02 A 70 PHE HDx H 1 6.88 0.02 A 70 PHE HDy H 1 6.88 0.02 A 70 PHE HEx H 1 7.26 0.02 A 70 PHE HEy H 1 7.26 0.02 A 70 PHE C C 13 175.9 0.2 A 70 PHE CA C 13 56.9 0.2 A 70 PHE CB C 13 42 0.2 A 70 PHE CDx C 13 131.5 0.2 A 70 PHE CDy C 13 131.5 0.2 A 70 PHE CEx C 13 131.3 0.2 A 70 PHE CEy C 13 131.3 0.2 A 70 PHE N N 15 124.3 0.2 A 71 ILE H H 1 8.72 0.02 A 71 ILE HA H 1 4.28 0.02 A 71 ILE HB H 1 1.74 0.02 A 71 ILE HD1% H 1 0.83 0.02 A 71 ILE HG1y H 1 1.44 0.02 A 71 ILE HG1x H 1 1.10 0.02 A 71 ILE HG2% H 1 0.85 0.02 A 71 ILE C C 13 176.4 0.2 A 71 ILE CA C 13 60.4 0.2 A 71 ILE CB C 13 39.9 0.2 A 71 ILE CD1 C 13 12.5 0.2 A 71 ILE CG1 C 13 27.3 0.2 A 71 ILE CG2 C 13 16.9 0.2 A 71 ILE N N 15 122.1 0.2 A 72 ASN H H 1 9.61 0.02 A 72 ASN HA H 1 4.37 0.02 A 72 ASN HBy H 1 3.07 0.02 A 72 ASN HBx H 1 2.78 0.02 A 72 ASN HD21 H 1 7.66 0.02 A 72 ASN HD22 H 1 6.94 0.02 A 72 ASN C C 13 175.5 0.2 A 72 ASN CA C 13 54.4 0.2 A 72 ASN CB C 13 37.5 0.2 A 72 ASN CG C 13 177.8 0.2 A 72 ASN N N 15 127.6 0.2 A 72 ASN ND2 N 15 113.1 0.2 A 73 GLY H H 1 8.79 0.02 A 73 GLY HAy H 1 4.18 0.02 A 73 GLY HAx H 1 3.62 0.02 A 73 GLY C C 13 173.6 0.2 A 73 GLY CA C 13 45.5 0.2 A 73 GLY N N 15 103.2 0.2 A 74 ARG H H 1 7.97 0.02 A 74 ARG HA H 1 5.02 0.02 A 74 ARG HBy H 1 1.86 0.02 A 74 ARG HBx H 1 1.75 0.02 A 74 ARG HDx H 1 3.19 0.02 A 74 ARG HDy H 1 3.19 0.02 A 74 ARG HE H 1 7.19 0.02 A 74 ARG HGy H 1 1.61 0.02 A 74 ARG HGx H 1 1.53 0.02 A 74 ARG CA C 13 52.7 0.2 A 74 ARG CB C 13 32 0.2 A 74 ARG CD C 13 43.2 0.2 A 74 ARG CG C 13 26.7 0.2 A 74 ARG N N 15 121.2 0.2 A 74 ARG NE N 15 84.2 0.2 A 75 PRO HA H 1 4.09 0.02 A 75 PRO HBy H 1 1.67 0.02 A 75 PRO HBx H 1 1.44 0.02 A 75 PRO HDy H 1 3.85 0.02 A 75 PRO HDx H 1 3.73 0.02 A 75 PRO HGy H 1 2.15 0.02 A 75 PRO HGx H 1 2.01 0.02 A 75 PRO C C 13 176.3 0.2 A 75 PRO CA C 13 62.5 0.2 A 75 PRO CB C 13 30.4 0.2 A 75 PRO CD C 13 50.4 0.2 A 75 PRO CG C 13 27.3 0.2 A 76 THR H H 1 8.58 0.02 A 76 THR HA H 1 4.41 0.02 A 76 THR HB H 1 4.03 0.02 A 76 THR HG2% H 1 1.07 0.02 A 76 THR C C 13 172.5 0.2 A 76 THR CA C 13 61.9 0.2 A 76 THR CB C 13 70.6 0.2 A 76 THR CG2 C 13 21.6 0.2 A 76 THR N N 15 116.4 0.2 A 77 ALA H H 1 7.59 0.02 A 77 ALA HA H 1 5.01 0.02 A 77 ALA HB% H 1 1.25 0.02 A 77 ALA C C 13 175.5 0.2 A 77 ALA CA C 13 51 0.2 A 77 ALA CB C 13 23.6 0.2 A 77 ALA N N 15 121.5 0.2 A 78 ILE H H 1 8.34 0.02 A 78 ILE HA H 1 4.65 0.02 A 78 ILE HB H 1 1.15 0.02 A 78 ILE HD1% H 1 -0.10 0.02 A 78 ILE HG1y H 1 0.93 0.02 A 78 ILE HG1x H 1 0.67 0.02 A 78 ILE HG2% H 1 0.53 0.02 A 78 ILE C C 13 174 0.2 A 78 ILE CA C 13 59.4 0.2 A 78 ILE CB C 13 42.4 0.2 A 78 ILE CD1 C 13 12.2 0.2 A 78 ILE CG1 C 13 27.7 0.2 A 78 ILE CG2 C 13 17.9 0.2 A 78 ILE N N 15 117.5 0.2 A 79 GLU H H 1 9 0.02 A 79 GLU HA H 1 5.61 0.02 A 79 GLU HBy H 1 2.03 0.02 A 79 GLU HBx H 1 1.93 0.02 A 79 GLU HGx H 1 2.16 0.02 A 79 GLU HGy H 1 2.16 0.02 A 79 GLU C C 13 174.8 0.2 A 79 GLU CA C 13 54.2 0.2 A 79 GLU CB C 13 33.6 0.2 A 79 GLU CG C 13 37.1 0.2 A 79 GLU N N 15 126.8 0.2 A 80 ALA H H 1 9.42 0.02 A 80 ALA HA H 1 5.70 0.02 A 80 ALA HB% H 1 1.39 0.02 A 80 ALA C C 13 176.1 0.2 A 80 ALA CA C 13 50.4 0.2 A 80 ALA CB C 13 25 0.2 A 80 ALA N N 15 128.5 0.2 A 81 THR H H 1 8.61 0.02 A 81 THR HA H 1 5.16 0.02 A 81 THR HB H 1 3.85 0.02 A 81 THR HG1 H 1 6.12 0.02 A 81 THR HG2% H 1 1.05 0.02 A 81 THR C C 13 172.8 0.2 A 81 THR CA C 13 62.1 0.2 A 81 THR CB C 13 71.1 0.2 A 81 THR CG2 C 13 22.2 0.2 A 81 THR N N 15 118 0.2 A 82 VAL H H 1 9.43 0.02 A 82 VAL HA H 1 4.03 0.02 A 82 VAL HB H 1 1.68 0.02 A 82 VAL HG1% H 1 0.5 0.02 A 82 VAL HG2% H 1 0.54 0.02 A 82 VAL C C 13 173.8 0.2 A 82 VAL CA C 13 61.2 0.2 A 82 VAL CB C 13 33.3 0.2 A 82 VAL CG1 C 13 20.9 0.2 A 82 VAL CG2 C 13 21.6 0.2 A 82 VAL N N 15 129.3 0.2 A 83 ILE H H 1 8.93 0.02 A 83 ILE HA H 1 4.04 0.02 A 83 ILE HB H 1 1.84 0.02 A 83 ILE HD1% H 1 0.76 0.02 A 83 ILE HG1x H 1 1.17 0.02 A 83 ILE HG1y H 1 1.44 0.02 A 83 ILE HG2% H 1 0.83 0.02 A 83 ILE C C 13 174.8 0.2 A 83 ILE CA C 13 61 0.2 A 83 ILE CB C 13 37.3 0.2 A 83 ILE CD1 C 13 11.8 0.2 A 83 ILE CG1 C 13 27.7 0.2 A 83 ILE CG2 C 13 17.8 0.2 A 83 ILE N N 15 129.5 0.2 A 84 LEU H H 1 8.08 0.02 A 84 LEU HA H 1 4.52 0.02 A 84 LEU HBy H 1 1.19 0.02 A 84 LEU HBx H 1 0.54 0.02 A 84 LEU HD1% H 1 -0.2 0.02 A 84 LEU HD2% H 1 0.24 0.02 A 84 LEU HG H 1 0.97 0.02 A 84 LEU C C 13 175.4 0.2 A 84 LEU CA C 13 52.8 0.2 A 84 LEU CB C 13 41.3 0.2 A 84 LEU CD1 C 13 24.2 0.2 A 84 LEU CD2 C 13 24.3 0.2 A 84 LEU CG C 13 26.1 0.2 A 84 LEU N N 15 129.2 0.2 A 85 ASN H H 1 8.91 0.02 A 85 ASN HA H 1 4.89 0.02 A 85 ASN HBy H 1 2.89 0.02 A 85 ASN HBx H 1 2.79 0.02 A 85 ASN HD21 H 1 8.01 0.02 A 85 ASN HD22 H 1 6.8 0.02 A 85 ASN C C 13 174 0.2 A 85 ASN CA C 13 54.7 0.2 A 85 ASN CB C 13 40.6 0.2 A 85 ASN CG C 13 176.6 0.2 A 85 ASN N N 15 120.6 0.2 A 85 ASN ND2 N 15 114.9 0.2 A 86 SER H H 1 7.59 0.02 A 86 SER HA H 1 4.85 0.02 A 86 SER HBy H 1 4.08 0.02 A 86 SER HBx H 1 3.98 0.02 A 86 SER C C 13 174 0.2 A 86 SER CA C 13 57.1 0.2 A 86 SER CB C 13 65.9 0.2 A 86 SER N N 15 111.7 0.2 A 87 GLN H H 1 9.49 0.02 A 87 GLN HA H 1 4.34 0.02 A 87 GLN HBy H 1 2.27 0.02 A 87 GLN HBx H 1 2.19 0.02 A 87 GLN HE21 H 1 8.02 0.02 A 87 GLN HE22 H 1 6.75 0.02 A 87 GLN HGx H 1 2.44 0.02 A 87 GLN HGy H 1 2.44 0.02 A 87 GLN CA C 13 60.1 0.2 A 87 GLN CB C 13 25.9 0.2 A 87 GLN CG C 13 33.5 0.2 A 87 GLN N N 15 122.3 0.2 A 87 GLN NE2 N 15 115.3 0.2 A 88 PRO HA H 1 4.46 0.02 A 88 PRO HBy H 1 2.4 0.02 A 88 PRO HBx H 1 1.82 0.02 A 88 PRO HDy H 1 3.86 0.02 A 88 PRO HDx H 1 3.85 0.02 A 88 PRO HGy H 1 2.16 0.02 A 88 PRO HGx H 1 2.00 0.02 A 88 PRO C C 13 180.2 0.2 A 88 PRO CA C 13 66.4 0.2 A 88 PRO CB C 13 31.2 0.2 A 88 PRO CD C 13 49.8 0.2 A 88 PRO CG C 13 28.6 0.2 A 89 GLU H H 1 7.35 0.02 A 89 GLU HA H 1 4.1 0.02 A 89 GLU HBx H 1 2.14 0.02 A 89 GLU HBy H 1 2.14 0.02 A 89 GLU HGx H 1 2.34 0.02 A 89 GLU HGy H 1 2.34 0.02 A 89 GLU C C 13 179.7 0.2 A 89 GLU CA C 13 59.6 0.2 A 89 GLU CB C 13 30.3 0.2 A 89 GLU CG C 13 37.3 0.2 A 89 GLU N N 15 116.3 0.2 A 90 TRP H H 1 8.42 0.02 A 90 TRP HA H 1 4.15 0.02 A 90 TRP HBy H 1 3.49 0.02 A 90 TRP HBx H 1 3.3 0.02 A 90 TRP HD1 H 1 7.19 0.02 A 90 TRP HE1 H 1 9.71 0.02 A 90 TRP HE3 H 1 8.00 0.02 A 90 TRP HH2 H 1 6.91 0.02 A 90 TRP HZ2 H 1 7.35 0.02 A 90 TRP HZ3 H 1 6.91 0.02 A 90 TRP C C 13 177.8 0.2 A 90 TRP CA C 13 61.9 0.2 A 90 TRP CB C 13 28.8 0.2 A 90 TRP CD1 C 13 127.6 0.2 A 90 TRP CE3 C 13 124.3 0.2 A 90 TRP CH2 C 13 124.2 0.2 A 90 TRP CZ2 C 13 114.8 0.2 A 90 TRP CZ3 C 13 121.6 0.2 A 90 TRP N N 15 123 0.2 A 90 TRP NE1 N 15 129.1 0.2 A 91 ASP H H 1 9.16 0.02 A 91 ASP HA H 1 4.37 0.02 A 91 ASP HBy H 1 2.76 0.02 A 91 ASP HBx H 1 2.66 0.02 A 91 ASP C C 13 176.8 0.2 A 91 ASP CA C 13 57.8 0.2 A 91 ASP CB C 13 40.1 0.2 A 91 ASP N N 15 119.8 0.2 A 92 ARG H H 1 8.1 0.02 A 92 ARG HA H 1 4.29 0.02 A 92 ARG HBy H 1 2 0.02 A 92 ARG HBx H 1 1.9 0.02 A 92 ARG HDy H 1 3.26 0.02 A 92 ARG HDx H 1 3.03 0.02 A 92 ARG HE H 1 7.36 0.02 A 92 ARG HGy H 1 1.82 0.02 A 92 ARG HGx H 1 1.55 0.02 A 92 ARG C C 13 175.4 0.2 A 92 ARG CA C 13 58.5 0.2 A 92 ARG CB C 13 29.3 0.2 A 92 ARG CD C 13 42.6 0.2 A 92 ARG CG C 13 27.4 0.2 A 92 ARG N N 15 121.4 0.2 A 92 ARG NE N 15 84.5 0.2 A 93 PHE H H 1 8.19 0.02 A 93 PHE HA H 1 4.05 0.02 A 93 PHE HBx H 1 3.05 0.02 A 93 PHE HBy H 1 3.05 0.02 A 93 PHE HDx H 1 6.77 0.02 A 93 PHE HDy H 1 6.77 0.02 A 93 PHE HEx H 1 7.16 0.02 A 93 PHE HEy H 1 7.16 0.02 A 93 PHE C C 13 176.9 0.2 A 93 PHE CA C 13 61.8 0.2 A 93 PHE CB C 13 39.9 0.2 A 93 PHE CDx C 13 131.6 0.2 A 93 PHE CDy C 13 131.6 0.2 A 93 PHE CEx C 13 131.2 0.2 A 93 PHE CEy C 13 131.2 0.2 A 93 PHE N N 15 122.3 0.2 A 94 MET H H 1 9.02 0.02 A 94 MET HA H 1 4.14 0.02 A 94 MET HBy H 1 2.24 0.02 A 94 MET HBx H 1 1.99 0.02 A 94 MET HE% H 1 1.88 0.02 A 94 MET HGy H 1 2.8 0.02 A 94 MET HGx H 1 2.55 0.02 A 94 MET C C 13 179.1 0.2 A 94 MET CA C 13 56.6 0.2 A 94 MET CB C 13 30.2 0.2 A 94 MET CE C 13 16.7 0.2 A 94 MET CG C 13 32.8 0.2 A 94 MET N N 15 118.7 0.2 A 95 ARG H H 1 7.95 0.02 A 95 ARG HA H 1 4.29 0.02 A 95 ARG HBy H 1 3.44 0.02 A 95 ARG HBx H 1 3.32 0.02 A 95 ARG C C 13 176.9 0.2 A 95 ARG CA C 13 59.3 0.2 A 95 ARG CB C 13 28 0.2 A 95 ARG N N 15 119.1 0.2 A 96 PHE H H 1 7.45 0.02 A 96 PHE HA H 1 4.3 0.02 A 96 PHE HBy H 1 3.15 0.02 A 96 PHE HBx H 1 2.96 0.02 A 96 PHE HDx H 1 6.84 0.02 A 96 PHE HDy H 1 6.84 0.02 A 96 PHE HEx H 1 6.88 0.02 A 96 PHE HEy H 1 6.88 0.02 A 96 PHE C C 13 176.9 0.2 A 96 PHE CA C 13 62.5 0.2 A 96 PHE CB C 13 37.7 0.2 A 96 PHE CDx C 13 132.1 0.2 A 96 PHE CDy C 13 132.1 0.2 A 96 PHE CEx C 13 133.1 0.2 A 96 PHE CEy C 13 133.1 0.2 A 96 PHE N N 15 120.2 0.2 A 97 MET H H 1 8.25 0.02 A 97 MET HA H 1 3.92 0.02 A 97 MET HBy H 1 1.68 0.02 A 97 MET HBx H 1 1.54 0.02 A 97 MET HE% H 1 1.61 0.02 A 97 MET HGy H 1 1.95 0.02 A 97 MET HGx H 1 1.64 0.02 A 97 MET C C 13 179.8 0.2 A 97 MET CA C 13 56.2 0.2 A 97 MET CB C 13 30.3 0.2 A 97 MET CE C 13 16.1 0.2 A 97 MET CG C 13 32.5 0.2 A 97 MET N N 15 117.8 0.2 A 98 GLU H H 1 8.36 0.02 A 98 GLU HA H 1 3.9 0.02 A 98 GLU HBy H 1 2.07 0.02 A 98 GLU HBx H 1 1.96 0.02 A 98 GLU HGy H 1 2.35 0.02 A 98 GLU HGx H 1 2.15 0.02 A 98 GLU C C 13 179.3 0.2 A 98 GLU CA C 13 59.3 0.2 A 98 GLU CB C 13 29.5 0.2 A 98 GLU CG C 13 36.4 0.2 A 98 GLU N N 15 120.7 0.2 A 99 ARG H H 1 7.33 0.02 A 99 ARG HA H 1 3.97 0.02 A 99 ARG HBy H 1 1.8 0.02 A 99 ARG HBx H 1 1.65 0.02 A 99 ARG HDy H 1 3.12 0.02 A 99 ARG HDx H 1 3.03 0.02 A 99 ARG HE H 1 7.35 0.02 A 99 ARG HGx H 1 1.53 0.02 A 99 ARG HGy H 1 1.53 0.02 A 99 ARG C C 13 177.8 0.2 A 99 ARG CA C 13 57.8 0.2 A 99 ARG CB C 13 30 0.2 A 99 ARG CD C 13 42.7 0.2 A 99 ARG CG C 13 26.7 0.2 A 99 ARG N N 15 119.1 0.2 A 99 ARG NE N 15 85.2 0.2 A 100 TYR H H 1 8.9 0.02 A 100 TYR HA H 1 3.62 0.02 A 100 TYR HBy H 1 2.16 0.02 A 100 TYR HBx H 1 1.87 0.02 A 100 TYR HDx H 1 6.61 0.02 A 100 TYR HDy H 1 6.61 0.02 A 100 TYR HEx H 1 6.74 0.02 A 100 TYR HEy H 1 6.75 0.02 A 100 TYR C C 13 178.9 0.2 A 100 TYR CA C 13 61.9 0.2 A 100 TYR CB C 13 39.3 0.2 A 100 TYR CDx C 13 132.2 0.2 A 100 TYR CDy C 13 132.2 0.2 A 100 TYR CEx C 13 118.4 0.2 A 100 TYR CEy C 13 118.4 0.2 A 100 TYR N N 15 120.6 0.2 A 101 GLY H H 1 8.77 0.02 A 101 GLY HAy H 1 3.91 0.02 A 101 GLY HAx H 1 3.65 0.02 A 101 GLY C C 13 175.8 0.2 A 101 GLY CA C 13 47.2 0.2 A 101 GLY N N 15 107.2 0.2 A 102 ALA H H 1 7.45 0.02 A 102 ALA HA H 1 4.15 0.02 A 102 ALA HB% H 1 1.47 0.02 A 102 ALA C C 13 180.3 0.2 A 102 ALA CA C 13 54.6 0.2 A 102 ALA CB C 13 18.5 0.2 A 102 ALA N N 15 123 0.2 A 103 GLU H H 1 7.67 0.02 A 103 GLU HA H 1 4.06 0.02 A 103 GLU HBx H 1 1.91 0.02 A 103 GLU HBy H 1 1.91 0.02 A 103 GLU HGy H 1 2.4 0.02 A 103 GLU HGx H 1 2.19 0.02 A 103 GLU C C 13 177.3 0.2 A 103 GLU CA C 13 57.8 0.2 A 103 GLU CB C 13 30.3 0.2 A 103 GLU CG C 13 36.6 0.2 A 103 GLU N N 15 116 0.2 A 104 ASN H H 1 7.38 0.02 A 104 ASN HA H 1 4.77 0.02 A 104 ASN HBy H 1 2.62 0.02 A 104 ASN HBx H 1 1.98 0.02 A 104 ASN HD21 H 1 6.93 0.02 A 104 ASN HD22 H 1 6.4 0.02 A 104 ASN C C 13 174.4 0.2 A 104 ASN CA C 13 53.5 0.2 A 104 ASN CB C 13 40.2 0.2 A 104 ASN N N 15 114 0.2 A 104 ASN ND2 N 15 117 0.2 A 105 GLY H H 1 7.78 0.02 A 105 GLY HAx H 1 3.89 0.02 A 105 GLY HAy H 1 3.89 0.02 A 105 GLY C C 13 174.5 0.2 A 105 GLY CA C 13 46.8 0.2 A 105 GLY N N 15 109.1 0.2 A 106 LEU H H 1 8.16 0.02 A 106 LEU HA H 1 4.39 0.02 A 106 LEU HBy H 1 1.47 0.02 A 106 LEU HBx H 1 1.44 0.02 A 106 LEU HD1% H 1 0.88 0.02 A 106 LEU HD2% H 1 0.82 0.02 A 106 LEU HG H 1 1.47 0.02 A 106 LEU C C 13 177 0.2 A 106 LEU CA C 13 54.7 0.2 A 106 LEU CB C 13 43.4 0.2 A 106 LEU CD1 C 13 25.4 0.2 A 106 LEU CD2 C 13 23.7 0.2 A 106 LEU CG C 13 27.1 0.2 A 106 LEU N N 15 119.4 0.2 A 107 GLY H H 1 8.35 0.02 A 107 GLY HAy H 1 3.9 0.02 A 107 GLY HAx H 1 3.68 0.02 A 107 GLY C C 13 173.5 0.2 A 107 GLY CA C 13 45.4 0.2 A 107 GLY N N 15 109.6 0.2 A 108 PHE H H 1 8.01 0.02 A 108 PHE HA H 1 4.64 0.02 A 108 PHE HBy H 1 3.04 0.02 A 108 PHE HBx H 1 2.88 0.02 A 108 PHE HDx H 1 7.13 0.02 A 108 PHE HDy H 1 7.13 0.02 A 108 PHE HEx H 1 7.1 0.02 A 108 PHE HEy H 1 7.1 0.02 A 108 PHE C C 13 175.5 0.2 A 108 PHE CA C 13 57.5 0.2 A 108 PHE CB C 13 39.7 0.2 A 108 PHE CDx C 13 131.9 0.2 A 108 PHE CDy C 13 131.9 0.2 A 108 PHE CEx C 13 129.6 0.2 A 108 PHE CEy C 13 129.6 0.2 A 108 PHE N N 15 119.4 0.2 A 109 SER H H 1 8.3 0.02 A 109 SER HA H 1 4.46 0.02 A 109 SER HBx H 1 3.87 0.02 A 109 SER HBy H 1 3.87 0.02 A 109 SER C C 13 174.5 0.2 A 109 SER CA C 13 57.8 0.2 A 109 SER CB C 13 64.2 0.2 A 109 SER N N 15 117.5 0.2 A 110 LYS H H 1 8.64 0.02 A 110 LYS HA H 1 4.18 0.02 A 110 LYS HBx H 1 1.82 0.02 A 110 LYS HBy H 1 1.82 0.02 A 110 LYS HDx H 1 1.65 0.02 A 110 LYS HDy H 1 1.65 0.02 A 110 LYS HEx H 1 2.96 0.02 A 110 LYS HEy H 1 2.96 0.02 A 110 LYS HGx H 1 1.43 0.02 A 110 LYS HGy H 1 1.43 0.02 A 110 LYS C C 13 177.3 0.2 A 110 LYS CA C 13 57.8 0.2 A 110 LYS CB C 13 32.8 0.2 A 110 LYS CD C 13 29.2 0.2 A 110 LYS CE C 13 42 0.2 A 110 LYS CG C 13 24.8 0.2 A 110 LYS N N 15 123.7 0.2 A 111 SER H H 1 8.29 0.02 A 111 SER HA H 1 4.32 0.02 A 111 SER HBx H 1 3.82 0.02 A 111 SER HBy H 1 3.82 0.02 A 111 SER C C 13 175.4 0.2 A 111 SER CA C 13 59.5 0.2 A 111 SER CB C 13 63.4 0.2 A 111 SER N N 15 115 0.2 A 112 GLU H H 1 8.18 0.02 A 112 GLU HA H 1 4.22 0.02 A 112 GLU HBx H 1 2.02 0.02 A 112 GLU HBy H 1 2.02 0.02 A 112 GLU HGx H 1 2.22 0.02 A 112 GLU HGy H 1 2.22 0.02 A 112 GLU C C 13 177.1 0.2 A 112 GLU CA C 13 57.3 0.2 A 112 GLU CB C 13 30.2 0.2 A 112 GLU CG C 13 36.3 0.2 A 112 GLU N N 15 122.3 0.2 A 113 LEU H H 1 8.05 0.02 A 113 LEU HA H 1 4.17 0.02 A 113 LEU HBy H 1 1.6 0.02 A 113 LEU HBx H 1 1.5 0.02 A 113 LEU HD1% H 1 0.82 0.02 A 113 LEU HD2% H 1 0.76 0.02 A 113 LEU HG H 1 1.58 0.02 A 113 LEU C C 13 177.6 0.2 A 113 LEU CA C 13 55.8 0.2 A 113 LEU CB C 13 42.3 0.2 A 113 LEU CD1 C 13 25.2 0.2 A 113 LEU CD2 C 13 23.5 0.2 A 113 LEU CG C 13 27 0.2 A 113 LEU N N 15 120.8 0.2 A 114 GLU H H 1 8.05 0.02 A 114 GLU HA H 1 4.13 0.02 A 114 GLU HBx H 1 1.87 0.02 A 114 GLU HBy H 1 1.87 0.02 A 114 GLU HGy H 1 2.21 0.02 A 114 GLU HGx H 1 2.11 0.02 A 114 GLU C C 13 176.4 0.2 A 114 GLU CA C 13 56.9 0.2 A 114 GLU CB C 13 30.2 0.2 A 114 GLU CG C 13 36.2 0.2 A 114 GLU N N 15 119.6 0.2 A 115 HIS H H 1 8.12 0.02 A 115 HIS HA H 1 4.51 0.02 A 115 HIS HBx H 1 3.01 0.02 A 115 HIS HBy H 1 3.01 0.02 A 115 HIS C C 13 176.2 0.2 A 115 HIS CA C 13 56.2 0.2 A 115 HIS CB C 13 30.1 0.2 A 115 HIS N N 15 118.9 0.2 A 119 HIS HA H 1 4.57 0.02 A 119 HIS HBx H 1 3.08 0.02 A 119 HIS HBy H 1 3.08 0.02 A 119 HIS C C 13 173.8 0.2 A 119 HIS CA C 13 55.8 0.2 A 119 HIS CB C 13 30.1 0.2 A 120 HIS H H 1 8.13 0.02 A 120 HIS HA H 1 4.39 0.02 A 120 HIS HBy H 1 3.15 0.02 A 120 HIS HBx H 1 3.03 0.02 A 120 HIS CA C 13 57.2 0.2 A 120 HIS CB C 13 30.2 0.2 A 120 HIS N N 15 125.4 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ALA HA A 3 GLU H 1.0 1.8 3.80 2 2 A 3 GLU H A 2 ALA HB% 1.0 1.8 3.89 3 3 A 2 ALA HB% A 56 ASP HBx 1.0 1.8 4.80 4 3 A 2 ALA HB% A 56 ASP HBy 1.0 1.8 4.80 5 4 A 2 ALA HB% A 96 PHE HA 1.0 1.8 4.80 6 5 A 2 ALA HB% A 100 TYR HA 1.0 1.8 4.40 7 6 A 2 ALA HB% A 100 TYR HBy 1.0 1.8 4.60 8 6 A 2 ALA HB% A 100 TYR HBx 1.0 1.8 4.60 9 7 A 2 ALA HB% A 100 TYR HD% 1.0 1.8 4.08 10 8 A 2 ALA HB% A 100 TYR H 1.0 1.8 4.47 11 9 A 3 GLU HA A 4 ILE HG1x 1.0 1.8 5.80 12 9 A 3 GLU HA A 4 ILE HG1y 1.0 1.8 5.80 13 10 A 3 GLU HA A 4 ILE H 1.0 1.8 3.34 14 11 A 100 TYR HD% A 3 GLU HA 1.0 1.8 4.32 15 12 A 3 GLU HA A 100 TYR HE% 1.0 1.8 4.46 16 13 A 4 ILE H A 3 GLU HBx 1.0 1.8 3.75 17 13 A 4 ILE H A 3 GLU HBy 1.0 1.8 3.75 18 14 A 3 GLU HBy A 5 GLN HE22 1.0 1.8 5.80 19 14 A 5 GLN HE22 A 3 GLU HBx 1.0 1.8 5.80 20 14 A 5 GLN HE21 A 3 GLU HBx 1.0 1.8 5.80 21 14 A 3 GLU HBy A 5 GLN HE21 1.0 1.8 5.80 22 15 A 55 ILE HB A 3 GLU HBx 1.0 1.8 4.89 23 15 A 3 GLU HBy A 55 ILE HB 1.0 1.8 4.89 24 16 A 55 ILE HG2% A 3 GLU HBx 1.0 1.8 5.80 25 16 A 3 GLU HBy A 55 ILE HG2% 1.0 1.8 5.80 26 17 A 4 ILE HA A 3 GLU HGx 1.0 1.8 5.00 27 17 A 3 GLU HGy A 4 ILE HA 1.0 1.8 5.00 28 18 A 4 ILE H A 3 GLU HGx 1.0 1.8 5.00 29 18 A 4 ILE H A 3 GLU HGy 1.0 1.8 5.00 30 19 A 3 GLU HGy A 5 GLN HE22 1.0 1.8 4.58 31 19 A 5 GLN HE21 A 3 GLU HGx 1.0 1.8 4.58 32 19 A 5 GLN HE22 A 3 GLU HGx 1.0 1.8 4.58 33 19 A 3 GLU HGy A 5 GLN HE21 1.0 1.8 4.58 34 20 A 55 ILE HA A 3 GLU HGx 1.0 1.8 6.00 35 20 A 3 GLU HGy A 55 ILE HA 1.0 1.8 6.00 36 21 A 55 ILE HB A 3 GLU HGx 1.0 1.8 4.04 37 21 A 55 ILE HB A 3 GLU HGy 1.0 1.8 4.04 38 22 A 55 ILE HD1% A 3 GLU HGx 1.0 1.8 4.80 39 22 A 3 GLU HGy A 55 ILE HD1% 1.0 1.8 4.80 40 23 A 55 ILE HG2% A 3 GLU HGx 1.0 1.8 4.80 41 23 A 55 ILE HG2% A 3 GLU HGy 1.0 1.8 4.80 42 24 A 55 ILE H A 3 GLU HGx 1.0 1.8 4.77 43 24 A 3 GLU HGy A 55 ILE H 1.0 1.8 4.77 44 25 A 4 ILE H A 3 GLU HGx 1.0 1.8 5.27 45 26 A 4 ILE H A 3 GLU HGy 1.0 1.8 5.27 46 27 A 3 GLU H A 3 GLU HGx 1.0 1.8 4.75 47 28 A 3 GLU H A 3 GLU HGy 1.0 1.8 4.90 48 29 A 3 GLU H A 4 ILE H 1.0 1.8 4.82 49 30 A 3 GLU H A 55 ILE HB 1.0 1.8 4.25 50 31 A 3 GLU H A 55 ILE HG2% 1.0 1.8 4.86 51 32 A 3 GLU H A 55 ILE H 1.0 1.8 4.32 52 33 A 3 GLU H A 56 ASP HA 1.0 1.8 4.94 53 34 A 3 GLU H A 100 TYR HD% 1.0 1.8 5.80 54 35 A 4 ILE HA A 4 ILE HD1% 1.0 1.8 4.54 55 36 A 4 ILE HA A 4 ILE HG2% 1.0 1.8 3.74 56 37 A 4 ILE HA A 5 GLN HGx 1.0 1.8 4.99 57 37 A 4 ILE HA A 5 GLN HGy 1.0 1.8 4.99 58 38 A 4 ILE HA A 5 GLN H 1.0 1.8 3.32 59 39 A 4 ILE HA A 54 LEU HA 1.0 1.8 4.80 60 40 A 4 ILE HA A 54 LEU HD2% 1.0 1.8 4.64 61 41 A 4 ILE HA A 55 ILE H 1.0 1.8 4.00 62 42 A 4 ILE HD1% A 4 ILE HB 1.0 1.8 3.74 63 43 A 5 GLN H A 4 ILE HB 1.0 1.8 4.71 64 44 A 4 ILE HD1% A 16 PRO HDx 1.0 1.8 4.21 65 44 A 4 ILE HD1% A 16 PRO HDy 1.0 1.8 4.21 66 45 A 4 ILE HD1% A 33 PHE HD% 1.0 1.8 4.00 67 46 A 4 ILE HD1% A 54 LEU HA 1.0 1.8 5.80 68 47 A 4 ILE HD1% A 54 LEU HD2% 1.0 1.8 3.80 69 48 A 100 TYR HD% A 4 ILE HD1% 1.0 1.8 5.80 70 49 A 100 TYR HE% A 4 ILE HD1% 1.0 1.8 4.68 71 50 A 4 ILE HG1x A 16 PRO HDx 1.0 1.8 5.80 72 50 A 4 ILE HG1y A 16 PRO HDx 1.0 1.8 5.80 73 50 A 16 PRO HDy A 4 ILE HG1x 1.0 1.8 5.80 74 50 A 4 ILE HG1y A 16 PRO HDy 1.0 1.8 5.80 75 51 A 100 TYR HD% A 4 ILE HG1x 1.0 1.8 5.80 76 51 A 100 TYR HD% A 4 ILE HG1y 1.0 1.8 5.80 77 52 A 54 LEU HD2% A 4 ILE HG1x 1.0 1.8 4.44 78 53 A 4 ILE HG1y A 54 LEU HD2% 1.0 1.8 4.44 79 54 A 4 ILE HD1% A 4 ILE HG2% 1.0 1.8 3.17 80 55 A 4 ILE HG2% A 4 ILE HG1x 1.0 1.8 4.60 81 55 A 4 ILE HG1y A 4 ILE HG2% 1.0 1.8 4.60 82 56 A 4 ILE HG2% A 5 GLN H 1.0 1.8 3.77 83 57 A 4 ILE HG2% A 52 MET HA 1.0 1.8 5.80 84 58 A 4 ILE HG2% A 52 MET HGy 1.0 1.8 3.72 85 58 A 4 ILE HG2% A 52 MET HGx 1.0 1.8 3.72 86 59 A 4 ILE HG2% A 53 TYR H 1.0 1.8 4.95 87 60 A 4 ILE HG2% A 54 LEU HA 1.0 1.8 4.88 88 61 A 4 ILE HG2% A 54 LEU HD2% 1.0 1.8 3.23 89 62 A 55 ILE H A 4 ILE HG2% 1.0 1.8 5.80 90 63 A 4 ILE H A 4 ILE HB 1.0 1.8 3.84 91 64 A 4 ILE H A 4 ILE HD1% 1.0 1.8 4.79 92 65 A 4 ILE H A 4 ILE HG1x 1.0 1.8 4.50 93 65 A 4 ILE HG1y A 4 ILE H 1.0 1.8 4.50 94 66 A 4 ILE H A 4 ILE HG2% 1.0 1.8 4.63 95 67 A 100 TYR HD% A 4 ILE H 1.0 1.8 5.80 96 68 A 4 ILE H A 100 TYR HE% 1.0 1.8 4.77 97 69 A 5 GLN HA A 5 GLN HE21 1.0 1.8 5.80 98 69 A 5 GLN HA A 5 GLN HE22 1.0 1.8 5.80 99 70 A 5 GLN HA A 6 PHE H 1.0 1.8 3.40 100 71 A 5 GLN HA A 52 MET HGy 1.0 1.8 5.80 101 71 A 52 MET HGx A 5 GLN HA 1.0 1.8 5.80 102 72 A 55 ILE HD1% A 5 GLN HE21 1.0 1.8 4.83 103 73 A 55 ILE HD1% A 5 GLN HE22 1.0 1.8 4.83 104 74 A 5 GLN H A 5 GLN HGx 1.0 1.8 4.58 105 74 A 5 GLN HGy A 5 GLN H 1.0 1.8 4.58 106 75 A 5 GLN H A 52 MET HGy 1.0 1.8 5.80 107 75 A 5 GLN H A 52 MET HGx 1.0 1.8 5.80 108 76 A 5 GLN H A 53 TYR H 1.0 1.8 4.60 109 77 A 5 GLN H A 54 LEU HA 1.0 1.8 5.00 110 78 A 5 GLN H A 54 LEU HD2% 1.0 1.8 5.80 111 79 A 55 ILE HD1% A 5 GLN H 1.0 1.8 5.80 112 80 A 6 PHE HA A 6 PHE HD% 1.0 1.8 4.00 113 81 A 6 PHE HA A 7 SER H 1.0 1.8 3.70 114 82 A 6 PHE HA A 40 ILE HD1% 1.0 1.8 5.80 115 83 A 6 PHE HA A 49 ILE HG2% 1.0 1.8 5.80 116 84 A 52 MET HA A 6 PHE HA 1.0 1.8 5.00 117 85 A 6 PHE HA A 53 TYR HD% 1.0 1.8 5.04 118 86 A 53 TYR H A 6 PHE HA 1.0 1.8 4.68 119 87 A 6 PHE HBx A 40 ILE HG1x 1.0 1.8 5.42 120 87 A 6 PHE HBy A 40 ILE HG1x 1.0 1.8 5.42 121 87 A 40 ILE HG1y A 6 PHE HBx 1.0 1.8 5.42 122 87 A 6 PHE HBy A 40 ILE HG1y 1.0 1.8 5.42 123 88 A 40 ILE HG2% A 6 PHE HBx 1.0 1.8 4.86 124 88 A 6 PHE HBy A 40 ILE HG2% 1.0 1.8 4.86 125 89 A 6 PHE HBx A 49 ILE HG1x 1.0 1.8 5.46 126 89 A 6 PHE HBy A 49 ILE HG1x 1.0 1.8 5.46 127 89 A 49 ILE HG1y A 6 PHE HBx 1.0 1.8 5.46 128 89 A 6 PHE HBy A 49 ILE HG1y 1.0 1.8 5.46 129 90 A 7 SER H A 6 PHE HBx 1.0 1.8 4.58 130 91 A 40 ILE HD1% A 6 PHE HBx 1.0 1.8 4.92 131 92 A 49 ILE HG2% A 6 PHE HBx 1.0 1.8 4.48 132 93 A 7 SER H A 6 PHE HBy 1.0 1.8 4.58 133 94 A 40 ILE HD1% A 6 PHE HBy 1.0 1.8 4.92 134 95 A 49 ILE HG2% A 6 PHE HBy 1.0 1.8 5.00 135 96 A 6 PHE HD% A 7 SER H 1.0 1.8 5.60 136 97 A 6 PHE HD% A 40 ILE HB 1.0 1.8 4.46 137 98 A 6 PHE HD% A 40 ILE HD1% 1.0 1.8 5.08 138 99 A 6 PHE HD% A 40 ILE HG2% 1.0 1.8 4.09 139 100 A 6 PHE HD% A 49 ILE HD1% 1.0 1.8 4.98 140 101 A 6 PHE HD% A 49 ILE HG2% 1.0 1.8 3.85 141 102 A 6 PHE HD% A 52 MET HBx 1.0 1.8 5.21 142 102 A 6 PHE HD% A 52 MET HBy 1.0 1.8 5.21 143 103 A 6 PHE HD% A 66 VAL HG1% 1.0 1.8 4.57 144 104 A 6 PHE HD% A 66 VAL HG2% 1.0 1.8 4.61 145 105 A 6 PHE HD% A 78 ILE HD1% 1.0 1.8 4.76 146 106 A 40 ILE HG2% A 6 PHE HE% 1.0 1.8 5.27 147 107 A 6 PHE HE% A 52 MET HBx 1.0 1.8 5.27 148 107 A 52 MET HBy A 6 PHE HE% 1.0 1.8 5.27 149 108 A 66 VAL HG1% A 6 PHE HE% 1.0 1.8 4.25 150 109 A 66 VAL HG2% A 6 PHE HE% 1.0 1.8 4.99 151 110 A 78 ILE HD1% A 6 PHE HE% 1.0 1.8 4.84 152 111 A 6 PHE HE% A 78 ILE HG2% 1.0 1.8 4.16 153 112 A 6 PHE H A 6 PHE HD% 1.0 1.8 5.25 154 113 A 6 PHE H A 7 SER H 1.0 1.8 4.84 155 114 A 6 PHE H A 40 ILE HD1% 1.0 1.8 5.53 156 115 A 7 SER HA A 8 LYS HA 1.0 1.8 5.10 157 116 A 7 SER HA A 8 LYS H 1.0 1.8 3.50 158 117 A 7 SER HA A 8 LYS HGx 1.0 1.8 4.74 159 117 A 7 SER HA A 8 LYS HGy 1.0 1.8 4.74 160 118 A 8 LYS H A 7 SER HBx 1.0 1.8 4.20 161 118 A 8 LYS H A 7 SER HBy 1.0 1.8 4.20 162 119 A 10 VAL HB A 7 SER HBx 1.0 1.8 4.70 163 119 A 7 SER HBy A 10 VAL HB 1.0 1.8 4.70 164 120 A 10 VAL HG1% A 7 SER HBx 1.0 1.8 4.30 165 120 A 7 SER HBy A 10 VAL HG1% 1.0 1.8 4.30 166 121 A 10 VAL HG2% A 7 SER HBx 1.0 1.8 3.96 167 121 A 7 SER HBy A 10 VAL HG2% 1.0 1.8 3.96 168 122 A 40 ILE HD1% A 7 SER HBx 1.0 1.8 3.94 169 122 A 40 ILE HD1% A 7 SER HBy 1.0 1.8 3.94 170 123 A 7 SER H A 7 SER HBx 1.0 1.8 3.71 171 123 A 7 SER H A 7 SER HBy 1.0 1.8 3.71 172 124 A 7 SER H A 8 LYS H 1.0 1.8 4.79 173 125 A 7 SER H A 40 ILE HD1% 1.0 1.8 4.61 174 126 A 8 LYS HA A 8 LYS HDy 1.0 1.8 4.47 175 126 A 8 LYS HA A 8 LYS HDx 1.0 1.8 4.47 176 127 A 8 LYS HA A 8 LYS HGx 1.0 1.8 4.15 177 128 A 8 LYS HA A 8 LYS HGy 1.0 1.8 4.15 178 129 A 8 LYS HA A 9 GLY HAy 1.0 1.8 5.00 179 129 A 8 LYS HA A 9 GLY HAx 1.0 1.8 5.00 180 130 A 8 LYS HA A 9 GLY H 1.0 1.8 2.89 181 131 A 8 LYS HA A 10 VAL H 1.0 1.8 5.00 182 132 A 8 LYS HBx A 8 LYS HEx 1.0 1.8 4.79 183 132 A 8 LYS HBx A 8 LYS HEy 1.0 1.8 4.79 184 133 A 9 GLY H A 8 LYS HBx 1.0 1.8 5.00 185 134 A 8 LYS HBy A 8 LYS HEx 1.0 1.8 4.79 186 134 A 8 LYS HEy A 8 LYS HBy 1.0 1.8 4.79 187 135 A 9 GLY H A 8 LYS HBy 1.0 1.8 5.00 188 136 A 9 GLY H A 8 LYS HGx 1.0 1.8 4.80 189 136 A 8 LYS HGy A 9 GLY H 1.0 1.8 4.80 190 137 A 8 LYS H A 8 LYS HBx 1.0 1.8 4.10 191 138 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.95 192 139 A 8 LYS H A 8 LYS HDy 1.0 1.8 5.20 193 139 A 8 LYS H A 8 LYS HDx 1.0 1.8 5.20 194 140 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.50 195 140 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.50 196 141 A 8 LYS H A 9 GLY H 1.0 1.8 4.93 197 142 A 8 LYS H A 10 VAL HG2% 1.0 1.8 5.40 198 143 A 10 VAL H A 9 GLY HAy 1.0 1.8 3.43 199 143 A 9 GLY HAx A 10 VAL H 1.0 1.8 3.43 200 144 A 10 VAL HG2% A 9 GLY H 1.0 1.8 5.29 201 145 A 10 VAL HG1% A 10 VAL HA 1.0 1.8 3.37 202 146 A 10 VAL HG2% A 10 VAL HA 1.0 1.8 3.43 203 147 A 10 VAL HA A 11 ALA HB% 1.0 1.8 4.80 204 148 A 10 VAL HA A 11 ALA H 1.0 1.8 3.60 205 149 A 10 VAL HB A 11 ALA H 1.0 1.8 4.64 206 150 A 10 VAL HG1% A 11 ALA HA 1.0 1.8 5.70 207 151 A 10 VAL HG1% A 11 ALA H 1.0 1.8 3.50 208 152 A 10 VAL HG2% A 11 ALA H 1.0 1.8 4.80 209 153 A 10 VAL HB A 10 VAL H 1.0 1.8 3.80 210 154 A 10 VAL HG1% A 10 VAL H 1.0 1.8 4.23 211 155 A 10 VAL HG2% A 10 VAL H 1.0 1.8 3.70 212 156 A 10 VAL H A 11 ALA H 1.0 1.8 5.00 213 157 A 11 ALA HA A 12 GLU H 1.0 1.8 3.30 214 158 A 11 ALA HB% A 12 GLU H 1.0 1.8 3.75 215 159 A 11 ALA HB% A 11 ALA H 1.0 1.8 3.03 216 160 A 11 ALA H A 12 GLU H 1.0 1.8 5.00 217 161 A 12 GLU HA A 13 THR H 1.0 1.8 3.50 218 162 A 13 THR H A 12 GLU HGy 1.0 1.8 4.51 219 162 A 13 THR H A 12 GLU HGx 1.0 1.8 4.51 220 163 A 14 VAL H A 12 GLU HGy 1.0 1.8 5.30 221 163 A 12 GLU HGx A 14 VAL H 1.0 1.8 5.30 222 164 A 12 GLU H A 12 GLU HGy 1.0 1.8 5.22 223 164 A 12 GLU H A 12 GLU HGx 1.0 1.8 5.22 224 165 A 12 GLU H A 13 THR H 1.0 1.8 5.00 225 166 A 13 THR HA A 13 THR HG2% 1.0 1.8 3.39 226 167 A 14 VAL H A 13 THR HB 1.0 1.8 5.00 227 168 A 13 THR H A 13 THR HG2% 1.0 1.8 4.20 228 169 A 13 THR H A 14 VAL HG2% 1.0 1.8 6.00 229 170 A 13 THR H A 14 VAL H 1.0 1.8 4.59 230 171 A 14 VAL HA A 14 VAL HG1% 1.0 1.8 3.52 231 172 A 14 VAL HG2% A 14 VAL HA 1.0 1.8 3.40 232 173 A 14 VAL HA A 15 VAL H 1.0 1.8 3.50 233 174 A 15 VAL H A 14 VAL HB 1.0 1.8 5.00 234 175 A 14 VAL HB A 35 PHE HD% 1.0 1.8 5.08 235 176 A 14 VAL HG1% A 15 VAL HA 1.0 1.8 4.80 236 177 A 14 VAL HG1% A 15 VAL H 1.0 1.8 3.80 237 178 A 14 VAL HG1% A 35 PHE HA 1.0 1.8 4.43 238 179 A 14 VAL HG1% A 35 PHE HBx 1.0 1.8 5.40 239 180 A 14 VAL HG1% A 35 PHE HBy 1.0 1.8 5.40 240 181 A 14 VAL HG1% A 35 PHE HD% 1.0 1.8 4.08 241 182 A 14 VAL HG1% A 36 LEU H 1.0 1.8 4.80 242 183 A 14 VAL HG1% A 38 PRO HA 1.0 1.8 4.81 243 184 A 14 VAL HG1% A 39 THR H 1.0 1.8 6.00 244 185 A 14 VAL HG2% A 15 VAL H 1.0 1.8 4.62 245 186 A 14 VAL HG2% A 35 PHE HBx 1.0 1.8 5.40 246 186 A 14 VAL HG2% A 35 PHE HBy 1.0 1.8 5.40 247 187 A 14 VAL HG2% A 38 PRO HA 1.0 1.8 4.80 248 188 A 14 VAL HG2% A 39 THR H 1.0 1.8 4.45 249 189 A 14 VAL H A 14 VAL HB 1.0 1.8 3.51 250 190 A 14 VAL H A 14 VAL HG1% 1.0 1.8 4.39 251 191 A 14 VAL H A 14 VAL HG2% 1.0 1.8 4.00 252 192 A 14 VAL H A 15 VAL H 1.0 1.8 4.98 253 193 A 15 VAL HA A 15 VAL HG1% 1.0 1.8 3.56 254 194 A 15 VAL HA A 15 VAL HG2% 1.0 1.8 3.34 255 195 A 15 VAL HA A 16 PRO HDx 1.0 1.8 3.93 256 196 A 16 PRO HDy A 15 VAL HA 1.0 1.8 3.93 257 197 A 15 VAL HA A 16 PRO HGy 1.0 1.8 4.66 258 197 A 15 VAL HA A 16 PRO HGx 1.0 1.8 4.66 259 198 A 100 TYR HE% A 15 VAL HA 1.0 1.8 5.60 260 199 A 15 VAL HG1% A 16 PRO HDx 1.0 1.8 4.00 261 199 A 16 PRO HDy A 15 VAL HG1% 1.0 1.8 4.00 262 200 A 100 TYR HE% A 15 VAL HG1% 1.0 1.8 4.80 263 201 A 15 VAL HG1% A 104 ASN HBy 1.0 1.8 5.00 264 201 A 15 VAL HG1% A 104 ASN HBx 1.0 1.8 5.00 265 202 A 15 VAL HG2% A 16 PRO HDx 1.0 1.8 4.83 266 202 A 16 PRO HDy A 15 VAL HG2% 1.0 1.8 4.83 267 203 A 100 TYR HE% A 15 VAL HG2% 1.0 1.8 5.70 268 204 A 15 VAL HG2% A 104 ASN HBy 1.0 1.8 4.70 269 204 A 15 VAL HG2% A 104 ASN HBx 1.0 1.8 4.70 270 205 A 15 VAL H A 15 VAL HB 1.0 1.8 3.80 271 206 A 15 VAL H A 15 VAL HG1% 1.0 1.8 4.32 272 207 A 15 VAL H A 15 VAL HG2% 1.0 1.8 4.05 273 208 A 16 PRO HA A 17 GLU HBx 1.0 1.8 4.92 274 208 A 16 PRO HA A 17 GLU HBy 1.0 1.8 4.92 275 209 A 16 PRO HA A 17 GLU H 1.0 1.8 3.64 276 210 A 35 PHE HA A 16 PRO HA 1.0 1.8 4.60 277 211 A 36 LEU H A 16 PRO HA 1.0 1.8 5.00 278 212 A 18 VAL HG2% A 16 PRO HBx 1.0 1.8 4.80 279 212 A 16 PRO HBy A 18 VAL HG2% 1.0 1.8 4.80 280 213 A 33 PHE HD% A 16 PRO HBx 1.0 1.8 5.49 281 213 A 33 PHE HD% A 16 PRO HBy 1.0 1.8 5.49 282 214 A 17 GLU H A 16 PRO HBx 1.0 1.8 5.00 283 215 A 17 GLU H A 16 PRO HBy 1.0 1.8 5.00 284 216 A 18 VAL HG2% A 16 PRO HGy 1.0 1.8 4.47 285 216 A 16 PRO HGx A 18 VAL HG2% 1.0 1.8 4.47 286 217 A 33 PHE HD% A 16 PRO HGy 1.0 1.8 5.14 287 217 A 33 PHE HD% A 16 PRO HGx 1.0 1.8 5.14 288 218 A 17 GLU HA A 17 GLU HGx 1.0 1.8 3.96 289 218 A 17 GLU HA A 17 GLU HGy 1.0 1.8 3.96 290 219 A 18 VAL HG2% A 17 GLU HA 1.0 1.8 4.61 291 220 A 17 GLU HA A 18 VAL H 1.0 1.8 3.42 292 221 A 18 VAL H A 17 GLU HBx 1.0 1.8 4.40 293 221 A 17 GLU HBy A 18 VAL H 1.0 1.8 4.40 294 222 A 17 GLU HBx A 34 TYR HBy 1.0 1.8 4.60 295 222 A 17 GLU HBy A 34 TYR HBy 1.0 1.8 4.60 296 222 A 34 TYR HBx A 17 GLU HBx 1.0 1.8 4.60 297 222 A 17 GLU HBy A 34 TYR HBx 1.0 1.8 4.60 298 223 A 34 TYR HD% A 17 GLU HBx 1.0 1.8 4.51 299 223 A 17 GLU HBy A 34 TYR HD% 1.0 1.8 4.51 300 224 A 34 TYR H A 17 GLU HBx 1.0 1.8 4.55 301 224 A 17 GLU HBy A 34 TYR H 1.0 1.8 4.55 302 225 A 17 GLU HGy A 34 TYR HBy 1.0 1.8 4.49 303 225 A 34 TYR HBx A 17 GLU HGx 1.0 1.8 4.49 304 225 A 17 GLU HGy A 34 TYR HBx 1.0 1.8 4.49 305 225 A 17 GLU HGx A 34 TYR HBy 1.0 1.8 4.49 306 226 A 17 GLU H A 17 GLU HGx 1.0 1.8 5.28 307 227 A 17 GLU H A 17 GLU HGy 1.0 1.8 5.28 308 228 A 17 GLU H A 34 TYR HBy 1.0 1.8 4.79 309 228 A 17 GLU H A 34 TYR HBx 1.0 1.8 4.79 310 229 A 17 GLU H A 34 TYR H 1.0 1.8 4.27 311 230 A 35 PHE HA A 17 GLU H 1.0 1.8 4.80 312 231 A 18 VAL HA A 18 VAL HG1% 1.0 1.8 3.55 313 232 A 18 VAL HG2% A 18 VAL HA 1.0 1.8 3.86 314 233 A 18 VAL HA A 19 ARG H 1.0 1.8 3.80 315 234 A 18 VAL HA A 33 PHE HA 1.0 1.8 3.96 316 235 A 34 TYR H A 18 VAL HA 1.0 1.8 4.00 317 236 A 19 ARG H A 18 VAL HB 1.0 1.8 4.55 318 237 A 18 VAL HB A 20 LEU HD2% 1.0 1.8 5.40 319 238 A 18 VAL HG1% A 19 ARG H 1.0 1.8 4.03 320 239 A 18 VAL HG1% A 20 LEU HA 1.0 1.8 5.08 321 240 A 18 VAL HG1% A 20 LEU HD1% 1.0 1.8 4.17 322 241 A 18 VAL HG1% A 20 LEU HD2% 1.0 1.8 3.16 323 242 A 18 VAL HG1% A 33 PHE HA 1.0 1.8 5.59 324 243 A 33 PHE HD% A 18 VAL HG1% 1.0 1.8 4.25 325 244 A 18 VAL HG1% A 93 PHE HE% 1.0 1.8 4.88 326 245 A 18 VAL HG1% A 97 MET HE% 1.0 1.8 3.72 327 246 A 18 VAL HG1% A 97 MET HGy 1.0 1.8 5.20 328 246 A 18 VAL HG1% A 97 MET HGx 1.0 1.8 5.20 329 247 A 18 VAL HG2% A 19 ARG H 1.0 1.8 4.88 330 248 A 18 VAL HG2% A 20 LEU HD2% 1.0 1.8 5.20 331 249 A 18 VAL HG2% A 33 PHE HA 1.0 1.8 4.97 332 250 A 33 PHE HD% A 18 VAL HG2% 1.0 1.8 4.38 333 251 A 18 VAL HG2% A 34 TYR H 1.0 1.8 5.79 334 252 A 18 VAL HG2% A 97 MET HE% 1.0 1.8 4.80 335 253 A 18 VAL H A 18 VAL HB 1.0 1.8 3.94 336 254 A 18 VAL H A 18 VAL HG1% 1.0 1.8 4.63 337 255 A 18 VAL HG2% A 18 VAL H 1.0 1.8 4.15 338 256 A 19 ARG HA A 19 ARG HDy 1.0 1.8 4.30 339 256 A 19 ARG HA A 19 ARG HDx 1.0 1.8 4.30 340 257 A 20 LEU HD1% A 19 ARG HA 1.0 1.8 5.60 341 258 A 20 LEU HD2% A 19 ARG HA 1.0 1.8 5.16 342 259 A 19 ARG HA A 20 LEU H 1.0 1.8 3.30 343 260 A 19 ARG HBy A 19 ARG HDy 1.0 1.8 3.28 344 260 A 19 ARG HBx A 19 ARG HDy 1.0 1.8 3.28 345 260 A 19 ARG HDx A 19 ARG HBy 1.0 1.8 3.28 346 260 A 19 ARG HDx A 19 ARG HBx 1.0 1.8 3.28 347 261 A 20 LEU HD2% A 19 ARG HBy 1.0 1.8 6.00 348 261 A 20 LEU HD2% A 19 ARG HBx 1.0 1.8 6.00 349 262 A 20 LEU H A 19 ARG HBy 1.0 1.8 4.57 350 262 A 20 LEU H A 19 ARG HBx 1.0 1.8 4.57 351 263 A 20 LEU H A 19 ARG HGy 1.0 1.8 4.80 352 263 A 20 LEU H A 19 ARG HGx 1.0 1.8 4.80 353 264 A 19 ARG H A 19 ARG HDy 1.0 1.8 5.70 354 264 A 19 ARG H A 19 ARG HDx 1.0 1.8 5.70 355 265 A 19 ARG H A 33 PHE HA 1.0 1.8 4.30 356 266 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 4.10 357 267 A 20 LEU HA A 21 SER H 1.0 1.8 3.39 358 268 A 20 LEU HA A 31 ALA HA 1.0 1.8 4.00 359 269 A 20 LEU HA A 32 LYS H 1.0 1.8 3.80 360 270 A 20 LEU HD2% A 20 LEU HBy 1.0 1.8 4.06 361 270 A 20 LEU HD2% A 20 LEU HBx 1.0 1.8 4.06 362 271 A 90 TRP HH2 A 20 LEU HBy 1.0 1.8 5.80 363 271 A 20 LEU HBx A 90 TRP HH2 1.0 1.8 5.80 364 272 A 20 LEU HD1% A 20 LEU HBx 1.0 1.8 3.81 365 273 A 21 SER H A 20 LEU HBx 1.0 1.8 5.00 366 274 A 20 LEU HD1% A 20 LEU HBy 1.0 1.8 3.81 367 275 A 21 SER H A 20 LEU HBy 1.0 1.8 5.00 368 276 A 20 LEU HD1% A 90 TRP HH2 1.0 1.8 4.80 369 277 A 20 LEU HD1% A 90 TRP HZ2 1.0 1.8 6.00 370 278 A 20 LEU HD1% A 90 TRP HZ3 1.0 1.8 5.21 371 279 A 90 TRP HH2 A 20 LEU HG 1.0 1.8 6.00 372 280 A 20 LEU HD1% A 20 LEU H 1.0 1.8 4.85 373 281 A 20 LEU H A 20 LEU HG 1.0 1.8 4.87 374 282 A 21 SER HA A 22 LYS H 1.0 1.8 3.37 375 283 A 21 SER HA A 30 MET HGx 1.0 1.8 5.60 376 283 A 21 SER HA A 30 MET HGy 1.0 1.8 5.60 377 284 A 22 LYS H A 21 SER HBy 1.0 1.8 3.94 378 284 A 22 LYS H A 21 SER HBx 1.0 1.8 3.94 379 285 A 21 SER HBx A 30 MET HBx 1.0 1.8 5.00 380 285 A 21 SER HBy A 30 MET HBx 1.0 1.8 5.00 381 285 A 30 MET HBy A 21 SER HBy 1.0 1.8 5.00 382 285 A 21 SER HBx A 30 MET HBy 1.0 1.8 5.00 383 286 A 30 MET H A 21 SER HBy 1.0 1.8 5.00 384 286 A 21 SER HBx A 30 MET H 1.0 1.8 5.00 385 287 A 30 MET HGy A 21 SER HBx 1.0 1.8 4.51 386 287 A 21 SER HBx A 30 MET HGx 1.0 1.8 4.51 387 288 A 30 MET HGy A 21 SER HBy 1.0 1.8 4.51 388 288 A 21 SER HBy A 30 MET HGx 1.0 1.8 4.51 389 289 A 21 SER H A 22 LYS H 1.0 1.8 5.00 390 290 A 21 SER H A 30 MET HGx 1.0 1.8 5.22 391 290 A 21 SER H A 30 MET HGy 1.0 1.8 5.22 392 291 A 21 SER H A 31 ALA HB% 1.0 1.8 4.73 393 292 A 21 SER H A 90 TRP HH2 1.0 1.8 6.00 394 293 A 22 LYS HA A 22 LYS HDy 1.0 1.8 4.40 395 293 A 22 LYS HA A 22 LYS HDx 1.0 1.8 4.40 396 294 A 22 LYS HA A 23 SER H 1.0 1.8 3.80 397 295 A 22 LYS HA A 29 GLY HAx 1.0 1.8 4.42 398 295 A 22 LYS HA A 29 GLY HAy 1.0 1.8 4.42 399 296 A 30 MET H A 22 LYS HA 1.0 1.8 4.80 400 297 A 22 LYS HBy A 22 LYS HDy 1.0 1.8 3.92 401 297 A 22 LYS HBx A 22 LYS HDy 1.0 1.8 3.92 402 297 A 22 LYS HDx A 22 LYS HBy 1.0 1.8 3.92 403 297 A 22 LYS HDx A 22 LYS HBx 1.0 1.8 3.92 404 298 A 22 LYS HBy A 22 LYS HEx 1.0 1.8 3.87 405 298 A 22 LYS HEy A 22 LYS HBy 1.0 1.8 3.87 406 298 A 22 LYS HBx A 22 LYS HEy 1.0 1.8 3.87 407 298 A 22 LYS HBx A 22 LYS HEx 1.0 1.8 3.87 408 299 A 23 SER H A 22 LYS HBy 1.0 1.8 3.90 409 299 A 23 SER H A 22 LYS HBx 1.0 1.8 3.90 410 300 A 23 SER H A 22 LYS HDy 1.0 1.8 5.00 411 300 A 22 LYS HDx A 23 SER H 1.0 1.8 5.00 412 301 A 22 LYS HDx A 26 GLY HAx 1.0 1.8 5.93 413 301 A 22 LYS HDy A 26 GLY HAx 1.0 1.8 5.93 414 301 A 26 GLY HAy A 22 LYS HDy 1.0 1.8 5.93 415 301 A 22 LYS HDx A 26 GLY HAy 1.0 1.8 5.93 416 302 A 22 LYS HEx A 26 GLY HAx 1.0 1.8 6.00 417 302 A 22 LYS HEy A 26 GLY HAx 1.0 1.8 6.00 418 303 A 26 GLY HAy A 22 LYS HEx 1.0 1.8 6.00 419 303 A 22 LYS HEy A 26 GLY HAy 1.0 1.8 6.00 420 304 A 22 LYS HEy A 22 LYS HGy 1.0 1.8 3.55 421 304 A 22 LYS HEx A 22 LYS HGy 1.0 1.8 3.55 422 304 A 22 LYS HGx A 22 LYS HEx 1.0 1.8 3.55 423 304 A 22 LYS HEy A 22 LYS HGx 1.0 1.8 3.55 424 305 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.82 425 305 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.82 426 306 A 22 LYS H A 22 LYS HGy 1.0 1.8 4.51 427 306 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.51 428 307 A 23 SER HA A 24 LYS H 1.0 1.8 3.60 429 308 A 24 LYS H A 23 SER HBx 1.0 1.8 4.58 430 309 A 28 SER H A 23 SER HBx 1.0 1.8 4.50 431 310 A 24 LYS H A 23 SER HBy 1.0 1.8 4.58 432 311 A 28 SER H A 23 SER HBy 1.0 1.8 5.00 433 312 A 23 SER H A 23 SER HBy 1.0 1.8 3.47 434 312 A 23 SER H A 23 SER HBx 1.0 1.8 3.47 435 313 A 23 SER H A 28 SER H 1.0 1.8 5.00 436 314 A 23 SER H A 29 GLY HAx 1.0 1.8 4.80 437 314 A 23 SER H A 29 GLY HAy 1.0 1.8 4.80 438 315 A 24 LYS HA A 24 LYS HGx 1.0 1.8 3.97 439 315 A 24 LYS HA A 24 LYS HGy 1.0 1.8 3.97 440 316 A 24 LYS HA A 25 ASN H 1.0 1.8 3.70 441 317 A 24 LYS HBx A 24 LYS HDx 1.0 1.8 2.64 442 317 A 24 LYS HBy A 24 LYS HDx 1.0 1.8 2.64 443 317 A 24 LYS HDy A 24 LYS HBx 1.0 1.8 2.64 444 317 A 24 LYS HBy A 24 LYS HDy 1.0 1.8 2.64 445 318 A 24 LYS HBy A 24 LYS HEx 1.0 1.8 5.02 446 318 A 24 LYS HBx A 24 LYS HEx 1.0 1.8 5.02 447 318 A 24 LYS HEy A 24 LYS HBx 1.0 1.8 5.02 448 318 A 24 LYS HBy A 24 LYS HEy 1.0 1.8 5.02 449 319 A 24 LYS HEy A 24 LYS HGx 1.0 1.8 3.18 450 319 A 24 LYS HEx A 24 LYS HGx 1.0 1.8 3.18 451 319 A 24 LYS HGy A 24 LYS HEx 1.0 1.8 3.18 452 319 A 24 LYS HGy A 24 LYS HEy 1.0 1.8 3.18 453 320 A 24 LYS H A 24 LYS HGx 1.0 1.8 5.12 454 320 A 24 LYS H A 24 LYS HGy 1.0 1.8 5.12 455 321 A 25 ASN HA A 26 GLY H 1.0 1.8 3.84 456 322 A 25 ASN HBy A 25 ASN HD22 1.0 1.8 3.36 457 322 A 25 ASN HD21 A 25 ASN HBy 1.0 1.8 3.36 458 322 A 25 ASN HBx A 25 ASN HD21 1.0 1.8 3.36 459 322 A 25 ASN HBx A 25 ASN HD22 1.0 1.8 3.36 460 323 A 26 GLY H A 25 ASN HBx 1.0 1.8 5.00 461 324 A 26 GLY H A 25 ASN HBy 1.0 1.8 5.00 462 325 A 25 ASN H A 26 GLY H 1.0 1.8 4.66 463 326 A 27 GLN HA A 27 GLN HGx 1.0 1.8 3.78 464 326 A 27 GLN HA A 27 GLN HGy 1.0 1.8 3.78 465 327 A 28 SER H A 27 GLN HBy 1.0 1.8 4.22 466 327 A 28 SER H A 27 GLN HBx 1.0 1.8 4.22 467 328 A 27 GLN HE2y A 27 GLN HGx 1.0 1.8 3.67 468 328 A 27 GLN HE2x A 27 GLN HGx 1.0 1.8 3.67 469 328 A 27 GLN HGy A 27 GLN HE2x 1.0 1.8 3.67 470 328 A 27 GLN HGy A 27 GLN HE2y 1.0 1.8 3.67 471 329 A 27 GLN H A 27 GLN HBy 1.0 1.8 3.59 472 329 A 27 GLN HBx A 27 GLN H 1.0 1.8 3.59 473 330 A 27 GLN H A 27 GLN HGx 1.0 1.8 4.23 474 330 A 27 GLN HGy A 27 GLN H 1.0 1.8 4.23 475 331 A 28 SER H A 27 GLN H 1.0 1.8 3.83 476 332 A 28 SER HA A 29 GLY HAx 1.0 1.8 4.72 477 332 A 29 GLY HAy A 28 SER HA 1.0 1.8 4.72 478 333 A 28 SER HA A 29 GLY H 1.0 1.8 3.80 479 334 A 28 SER HA A 85 ASN HA 1.0 1.8 5.00 480 335 A 29 GLY H A 28 SER HBy 1.0 1.8 3.79 481 335 A 29 GLY H A 28 SER HBx 1.0 1.8 3.79 482 336 A 83 ILE HG2% A 28 SER HBy 1.0 1.8 4.40 483 336 A 28 SER HBx A 83 ILE HG2% 1.0 1.8 4.40 484 337 A 28 SER H A 29 GLY H 1.0 1.8 5.00 485 338 A 29 GLY HAy A 30 MET HGx 1.0 1.8 5.80 486 338 A 29 GLY HAx A 30 MET HGx 1.0 1.8 5.80 487 338 A 30 MET HGy A 29 GLY HAx 1.0 1.8 5.80 488 338 A 30 MET HGy A 29 GLY HAy 1.0 1.8 5.80 489 339 A 30 MET H A 29 GLY HAx 1.0 1.8 3.70 490 340 A 30 MET H A 29 GLY HAy 1.0 1.8 3.70 491 341 A 29 GLY H A 83 ILE HG2% 1.0 1.8 4.95 492 342 A 29 GLY H A 84 LEU HBy 1.0 1.8 5.00 493 342 A 29 GLY H A 84 LEU HBx 1.0 1.8 5.00 494 343 A 29 GLY H A 84 LEU H 1.0 1.8 4.69 495 344 A 29 GLY H A 85 ASN HA 1.0 1.8 4.57 496 345 A 29 GLY H A 85 ASN HD22 1.0 1.8 5.40 497 346 A 29 GLY H A 90 TRP HE1 1.0 1.8 5.20 498 347 A 90 TRP HZ2 A 29 GLY H 1.0 1.8 5.40 499 348 A 31 ALA HB% A 30 MET HA 1.0 1.8 4.79 500 349 A 30 MET HA A 31 ALA H 1.0 1.8 3.49 501 350 A 30 MET HA A 81 THR HG2% 1.0 1.8 5.47 502 351 A 30 MET HA A 82 VAL HG1% 1.0 1.8 5.85 503 352 A 30 MET HA A 83 ILE HA 1.0 1.8 4.14 504 353 A 30 MET HA A 83 ILE HD1% 1.0 1.8 4.25 505 354 A 83 ILE HG2% A 30 MET HA 1.0 1.8 5.10 506 355 A 30 MET HA A 84 LEU HD2% 1.0 1.8 5.70 507 356 A 84 LEU H A 30 MET HA 1.0 1.8 4.15 508 357 A 83 ILE HA A 30 MET HBx 1.0 1.8 5.00 509 357 A 30 MET HBy A 83 ILE HA 1.0 1.8 5.00 510 358 A 31 ALA H A 30 MET HBx 1.0 1.8 4.48 511 359 A 81 THR HG2% A 30 MET HBx 1.0 1.8 4.80 512 360 A 83 ILE HD1% A 30 MET HBx 1.0 1.8 5.20 513 361 A 30 MET HBy A 31 ALA H 1.0 1.8 4.48 514 362 A 30 MET HBy A 81 THR HG2% 1.0 1.8 4.61 515 363 A 30 MET HBy A 83 ILE HD1% 1.0 1.8 4.44 516 364 A 31 ALA HA A 30 MET HGx 1.0 1.8 4.69 517 364 A 31 ALA HA A 30 MET HGy 1.0 1.8 4.69 518 365 A 31 ALA H A 30 MET HGx 1.0 1.8 4.25 519 365 A 30 MET HGy A 31 ALA H 1.0 1.8 4.25 520 366 A 30 MET HGy A 32 LYS HGx 1.0 1.8 4.75 521 366 A 30 MET HGx A 32 LYS HGx 1.0 1.8 4.75 522 366 A 32 LYS HGy A 30 MET HGx 1.0 1.8 4.75 523 366 A 30 MET HGy A 32 LYS HGy 1.0 1.8 4.75 524 367 A 81 THR HG2% A 30 MET HGx 1.0 1.8 3.90 525 367 A 30 MET HGy A 81 THR HG2% 1.0 1.8 3.90 526 368 A 82 VAL H A 30 MET HGx 1.0 1.8 5.94 527 368 A 30 MET HGy A 82 VAL H 1.0 1.8 5.94 528 369 A 83 ILE HA A 30 MET HGx 1.0 1.8 5.56 529 369 A 30 MET HGy A 83 ILE HA 1.0 1.8 5.56 530 370 A 83 ILE HD1% A 30 MET HGx 1.0 1.8 4.19 531 370 A 30 MET HGy A 83 ILE HD1% 1.0 1.8 4.19 532 371 A 30 MET H A 30 MET HGx 1.0 1.8 4.80 533 371 A 30 MET HGy A 30 MET H 1.0 1.8 4.80 534 372 A 30 MET H A 83 ILE HG2% 1.0 1.8 6.00 535 373 A 30 MET H A 84 LEU HBy 1.0 1.8 6.00 536 373 A 30 MET H A 84 LEU HBx 1.0 1.8 6.00 537 374 A 30 MET H A 84 LEU HD1% 1.0 1.8 6.00 538 375 A 90 TRP HZ2 A 30 MET H 1.0 1.8 5.26 539 376 A 31 ALA HA A 32 LYS HBx 1.0 1.8 4.86 540 376 A 31 ALA HA A 32 LYS HBy 1.0 1.8 4.86 541 377 A 31 ALA HA A 32 LYS H 1.0 1.8 3.25 542 378 A 32 LYS H A 31 ALA HB% 1.0 1.8 3.97 543 379 A 33 PHE HD% A 31 ALA HB% 1.0 1.8 4.20 544 380 A 31 ALA HB% A 81 THR HA 1.0 1.8 5.53 545 381 A 31 ALA HB% A 82 VAL HB 1.0 1.8 3.90 546 382 A 31 ALA HB% A 82 VAL H 1.0 1.8 4.43 547 383 A 31 ALA HB% A 84 LEU HD1% 1.0 1.8 4.41 548 384 A 90 TRP HZ3 A 31 ALA HB% 1.0 1.8 5.51 549 385 A 31 ALA H A 81 THR HG2% 1.0 1.8 4.40 550 386 A 31 ALA H A 82 VAL HB 1.0 1.8 5.04 551 387 A 31 ALA H A 82 VAL HG1% 1.0 1.8 5.50 552 388 A 31 ALA H A 82 VAL H 1.0 1.8 4.23 553 389 A 31 ALA H A 83 ILE HA 1.0 1.8 4.80 554 390 A 31 ALA H A 84 LEU HD1% 1.0 1.8 5.36 555 391 A 32 LYS HA A 32 LYS HDx 1.0 1.8 4.35 556 391 A 32 LYS HA A 32 LYS HDy 1.0 1.8 4.35 557 392 A 32 LYS HA A 32 LYS HEx 1.0 1.8 4.80 558 392 A 32 LYS HA A 32 LYS HEy 1.0 1.8 4.80 559 393 A 32 LYS HA A 32 LYS HGx 1.0 1.8 3.94 560 393 A 32 LYS HGy A 32 LYS HA 1.0 1.8 3.94 561 394 A 33 PHE HD% A 32 LYS HA 1.0 1.8 5.05 562 395 A 32 LYS HA A 33 PHE H 1.0 1.8 3.48 563 396 A 81 THR HA A 32 LYS HA 1.0 1.8 4.60 564 397 A 82 VAL H A 32 LYS HA 1.0 1.8 5.00 565 398 A 32 LYS HBx A 32 LYS HDx 1.0 1.8 2.97 566 398 A 32 LYS HBy A 32 LYS HDx 1.0 1.8 2.97 567 398 A 32 LYS HDy A 32 LYS HBx 1.0 1.8 2.97 568 398 A 32 LYS HBy A 32 LYS HDy 1.0 1.8 2.97 569 399 A 32 LYS HBy A 32 LYS HEx 1.0 1.8 3.80 570 399 A 32 LYS HBx A 32 LYS HEx 1.0 1.8 3.80 571 399 A 32 LYS HEy A 32 LYS HBx 1.0 1.8 3.80 572 399 A 32 LYS HBy A 32 LYS HEy 1.0 1.8 3.80 573 400 A 32 LYS HEy A 79 GLU HGx 1.0 1.8 5.40 574 400 A 32 LYS HEx A 79 GLU HGx 1.0 1.8 5.40 575 400 A 79 GLU HGy A 32 LYS HEx 1.0 1.8 5.40 576 400 A 32 LYS HEy A 79 GLU HGy 1.0 1.8 5.40 577 401 A 81 THR HG2% A 32 LYS HEx 1.0 1.8 4.47 578 401 A 81 THR HG2% A 32 LYS HEy 1.0 1.8 4.47 579 402 A 32 LYS HEy A 32 LYS HGx 1.0 1.8 3.25 580 402 A 32 LYS HGy A 32 LYS HEx 1.0 1.8 3.25 581 402 A 32 LYS HGy A 32 LYS HEy 1.0 1.8 3.25 582 402 A 32 LYS HEx A 32 LYS HGx 1.0 1.8 3.25 583 403 A 33 PHE H A 32 LYS HGx 1.0 1.8 4.98 584 403 A 32 LYS HGy A 33 PHE H 1.0 1.8 4.98 585 404 A 81 THR HG2% A 32 LYS HGx 1.0 1.8 3.67 586 404 A 81 THR HG2% A 32 LYS HGy 1.0 1.8 3.67 587 405 A 32 LYS H A 32 LYS HBx 1.0 1.8 3.66 588 405 A 32 LYS H A 32 LYS HBy 1.0 1.8 3.66 589 406 A 32 LYS H A 32 LYS HGx 1.0 1.8 4.33 590 406 A 32 LYS H A 32 LYS HGy 1.0 1.8 4.33 591 407 A 33 PHE HD% A 33 PHE HA 1.0 1.8 4.76 592 408 A 34 TYR H A 33 PHE HA 1.0 1.8 3.32 593 409 A 33 PHE HA A 80 ALA HB% 1.0 1.8 5.20 594 410 A 34 TYR H A 33 PHE HBy 1.0 1.8 4.33 595 410 A 34 TYR H A 33 PHE HBx 1.0 1.8 4.33 596 411 A 66 VAL HG1% A 33 PHE HBy 1.0 1.8 5.87 597 411 A 66 VAL HG1% A 33 PHE HBx 1.0 1.8 5.87 598 412 A 80 ALA HB% A 33 PHE HBy 1.0 1.8 4.80 599 412 A 80 ALA HB% A 33 PHE HBx 1.0 1.8 4.80 600 413 A 80 ALA H A 33 PHE HBy 1.0 1.8 4.66 601 413 A 33 PHE HBx A 80 ALA H 1.0 1.8 4.66 602 414 A 33 PHE HD% A 34 TYR H 1.0 1.8 5.03 603 415 A 33 PHE HD% A 54 LEU HD1% 1.0 1.8 5.00 604 416 A 54 LEU HD2% A 33 PHE HD% 1.0 1.8 4.80 605 417 A 33 PHE HD% A 63 THR HG2% 1.0 1.8 6.00 606 418 A 33 PHE HD% A 80 ALA HB% 1.0 1.8 4.89 607 419 A 33 PHE HD% A 82 VAL HB 1.0 1.8 5.50 608 420 A 33 PHE HD% A 82 VAL HG2% 1.0 1.8 4.68 609 421 A 33 PHE HD% A 82 VAL H 1.0 1.8 5.75 610 422 A 33 PHE HD% A 33 PHE H 1.0 1.8 4.41 611 423 A 34 TYR H A 33 PHE H 1.0 1.8 5.00 612 424 A 33 PHE H A 80 ALA HB% 1.0 1.8 4.59 613 425 A 33 PHE H A 80 ALA H 1.0 1.8 4.60 614 426 A 81 THR HA A 33 PHE H 1.0 1.8 4.80 615 427 A 34 TYR HD% A 34 TYR HA 1.0 1.8 4.52 616 428 A 34 TYR HA A 35 PHE H 1.0 1.8 3.47 617 429 A 34 TYR HA A 79 GLU HA 1.0 1.8 4.07 618 430 A 34 TYR HA A 79 GLU HGx 1.0 1.8 4.94 619 430 A 79 GLU HGy A 34 TYR HA 1.0 1.8 4.94 620 431 A 80 ALA H A 34 TYR HA 1.0 1.8 4.91 621 432 A 35 PHE H A 34 TYR HBy 1.0 1.8 4.54 622 432 A 34 TYR HBx A 35 PHE H 1.0 1.8 4.54 623 433 A 34 TYR HD% A 35 PHE H 1.0 1.8 5.09 624 434 A 34 TYR HD% A 69 LYS HEy 1.0 1.8 4.95 625 434 A 34 TYR HD% A 69 LYS HEx 1.0 1.8 4.95 626 435 A 34 TYR HD% A 77 ALA HB% 1.0 1.8 5.16 627 436 A 34 TYR HD% A 79 GLU HA 1.0 1.8 5.31 628 437 A 34 TYR HD% A 79 GLU HBx 1.0 1.8 6.00 629 438 A 34 TYR HD% A 79 GLU HBy 1.0 1.8 6.00 630 439 A 34 TYR HD% A 79 GLU HGx 1.0 1.8 4.33 631 439 A 34 TYR HD% A 79 GLU HGy 1.0 1.8 4.33 632 440 A 34 TYR HE% A 36 LEU HD1% 1.0 1.8 4.47 633 441 A 34 TYR HE% A 36 LEU HD2% 1.0 1.8 5.33 634 442 A 34 TYR HE% A 69 LYS HBx 1.0 1.8 5.57 635 442 A 34 TYR HE% A 69 LYS HBy 1.0 1.8 5.57 636 443 A 34 TYR HE% A 69 LYS HDx 1.0 1.8 4.85 637 443 A 34 TYR HE% A 69 LYS HDy 1.0 1.8 4.85 638 444 A 34 TYR HE% A 69 LYS HEy 1.0 1.8 4.89 639 444 A 69 LYS HEx A 34 TYR HE% 1.0 1.8 4.89 640 445 A 34 TYR HE% A 69 LYS HGx 1.0 1.8 5.24 641 445 A 34 TYR HE% A 69 LYS HGy 1.0 1.8 5.24 642 446 A 77 ALA HB% A 34 TYR HE% 1.0 1.8 4.22 643 447 A 34 TYR HE% A 79 GLU HGx 1.0 1.8 6.00 644 447 A 79 GLU HGy A 34 TYR HE% 1.0 1.8 6.00 645 448 A 34 TYR H A 34 TYR HBy 1.0 1.8 3.61 646 448 A 34 TYR HBx A 34 TYR H 1.0 1.8 3.61 647 449 A 34 TYR HD% A 34 TYR H 1.0 1.8 5.43 648 450 A 35 PHE HD% A 35 PHE HA 1.0 1.8 5.20 649 451 A 35 PHE HA A 36 LEU H 1.0 1.8 3.31 650 452 A 78 ILE HG2% A 35 PHE HBx 1.0 1.8 5.20 651 452 A 78 ILE HG2% A 35 PHE HBy 1.0 1.8 5.20 652 453 A 36 LEU H A 35 PHE HBx 1.0 1.8 5.00 653 454 A 38 PRO HDy A 35 PHE HBx 1.0 1.8 5.21 654 454 A 35 PHE HBx A 38 PRO HDx 1.0 1.8 5.21 655 455 A 38 PRO HGx A 35 PHE HBx 1.0 1.8 5.96 656 455 A 35 PHE HBx A 38 PRO HGy 1.0 1.8 5.96 657 456 A 78 ILE HB A 35 PHE HBx 1.0 1.8 5.00 658 457 A 78 ILE H A 35 PHE HBx 1.0 1.8 4.92 659 458 A 36 LEU H A 35 PHE HBy 1.0 1.8 5.00 660 459 A 35 PHE HBy A 38 PRO HDy 1.0 1.8 5.21 661 459 A 35 PHE HBy A 38 PRO HDx 1.0 1.8 5.21 662 460 A 35 PHE HBy A 38 PRO HGx 1.0 1.8 5.96 663 460 A 35 PHE HBy A 38 PRO HGy 1.0 1.8 5.96 664 461 A 35 PHE HBy A 78 ILE HB 1.0 1.8 5.00 665 462 A 35 PHE HBy A 78 ILE H 1.0 1.8 4.92 666 463 A 35 PHE HD% A 78 ILE HB 1.0 1.8 6.00 667 464 A 78 ILE HG2% A 35 PHE HD% 1.0 1.8 4.39 668 465 A 35 PHE HD% A 78 ILE H 1.0 1.8 6.00 669 466 A 35 PHE HD% A 35 PHE H 1.0 1.8 4.16 670 467 A 36 LEU H A 35 PHE H 1.0 1.8 5.00 671 468 A 35 PHE H A 77 ALA HB% 1.0 1.8 4.98 672 469 A 35 PHE H A 78 ILE HB 1.0 1.8 4.81 673 470 A 78 ILE HG2% A 35 PHE H 1.0 1.8 5.52 674 471 A 35 PHE H A 78 ILE H 1.0 1.8 4.35 675 472 A 35 PHE H A 79 GLU HA 1.0 1.8 4.60 676 473 A 35 PHE H A 79 GLU HGx 1.0 1.8 6.00 677 473 A 79 GLU HGy A 35 PHE H 1.0 1.8 6.00 678 474 A 36 LEU HD1% A 36 LEU HA 1.0 1.8 3.40 679 475 A 36 LEU HD2% A 36 LEU HA 1.0 1.8 4.11 680 476 A 36 LEU HA A 37 GLU HA 1.0 1.8 4.88 681 477 A 36 LEU HA A 37 GLU HGx 1.0 1.8 4.71 682 477 A 36 LEU HA A 37 GLU HGy 1.0 1.8 4.71 683 478 A 36 LEU HA A 37 GLU H 1.0 1.8 3.42 684 479 A 36 LEU HA A 38 PRO HDx 1.0 1.8 4.89 685 479 A 38 PRO HDy A 36 LEU HA 1.0 1.8 4.89 686 480 A 36 LEU HA A 77 ALA HA 1.0 1.8 4.32 687 481 A 77 ALA HB% A 36 LEU HA 1.0 1.8 3.81 688 482 A 36 LEU HD2% A 36 LEU HBy 1.0 1.8 3.34 689 482 A 36 LEU HD2% A 36 LEU HBx 1.0 1.8 3.34 690 483 A 36 LEU HD1% A 36 LEU HBx 1.0 1.8 3.75 691 484 A 37 GLU H A 36 LEU HBx 1.0 1.8 5.00 692 485 A 36 LEU HD1% A 36 LEU HBy 1.0 1.8 3.75 693 486 A 37 GLU H A 36 LEU HBy 1.0 1.8 5.00 694 487 A 36 LEU HD1% A 37 GLU HA 1.0 1.8 4.79 695 488 A 36 LEU HD1% A 37 GLU HBx 1.0 1.8 5.75 696 489 A 36 LEU HD1% A 37 GLU HBy 1.0 1.8 5.75 697 490 A 36 LEU HD1% A 37 GLU HGx 1.0 1.8 3.45 698 490 A 36 LEU HD1% A 37 GLU HGy 1.0 1.8 3.45 699 491 A 36 LEU HD1% A 37 GLU H 1.0 1.8 3.86 700 492 A 36 LEU HD1% A 38 PRO HDx 1.0 1.8 5.75 701 492 A 36 LEU HD1% A 38 PRO HDy 1.0 1.8 5.75 702 493 A 36 LEU HD1% A 76 THR HB 1.0 1.8 5.20 703 494 A 36 LEU HD1% A 77 ALA HA 1.0 1.8 4.97 704 495 A 36 LEU HD2% A 37 GLU HGx 1.0 1.8 4.65 705 495 A 36 LEU HD2% A 37 GLU HGy 1.0 1.8 4.65 706 496 A 36 LEU HD2% A 37 GLU H 1.0 1.8 5.27 707 497 A 36 LEU HG A 37 GLU HBy 1.0 1.8 5.36 708 497 A 36 LEU HG A 37 GLU HBx 1.0 1.8 5.36 709 498 A 36 LEU HG A 37 GLU HGx 1.0 1.8 3.52 710 498 A 37 GLU HGy A 36 LEU HG 1.0 1.8 3.52 711 499 A 37 GLU H A 36 LEU HG 1.0 1.8 4.47 712 500 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.79 713 501 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.79 714 502 A 36 LEU H A 36 LEU HD1% 1.0 1.8 4.58 715 503 A 36 LEU H A 36 LEU HD2% 1.0 1.8 4.65 716 504 A 36 LEU H A 77 ALA HB% 1.0 1.8 5.00 717 505 A 37 GLU HA A 37 GLU HGx 1.0 1.8 3.60 718 505 A 37 GLU HA A 37 GLU HGy 1.0 1.8 3.60 719 506 A 37 GLU HA A 38 PRO HDx 1.0 1.8 3.79 720 506 A 38 PRO HDy A 37 GLU HA 1.0 1.8 3.79 721 507 A 37 GLU HA A 41 LEU HD1% 1.0 1.8 4.30 722 508 A 37 GLU HA A 77 ALA HA 1.0 1.8 4.93 723 509 A 37 GLU HGy A 37 GLU HBx 1.0 1.8 3.10 724 509 A 37 GLU HBx A 37 GLU HGx 1.0 1.8 3.10 725 510 A 37 GLU HGy A 37 GLU HBy 1.0 1.8 3.10 726 510 A 37 GLU HBy A 37 GLU HGx 1.0 1.8 3.10 727 511 A 41 LEU HD1% A 37 GLU HGx 1.0 1.8 4.80 728 511 A 37 GLU HGy A 41 LEU HD1% 1.0 1.8 4.80 729 512 A 76 THR HA A 37 GLU HGx 1.0 1.8 4.18 730 512 A 37 GLU HGy A 76 THR HA 1.0 1.8 4.18 731 513 A 76 THR HB A 37 GLU HGx 1.0 1.8 5.46 732 513 A 37 GLU HGy A 76 THR HB 1.0 1.8 5.46 733 514 A 77 ALA HB% A 37 GLU HGx 1.0 1.8 4.80 734 514 A 77 ALA HB% A 37 GLU HGy 1.0 1.8 4.80 735 515 A 37 GLU H A 37 GLU HGx 1.0 1.8 3.81 736 515 A 37 GLU HGy A 37 GLU H 1.0 1.8 3.81 737 516 A 37 GLU H A 38 PRO HDx 1.0 1.8 4.52 738 516 A 38 PRO HDy A 37 GLU H 1.0 1.8 4.52 739 517 A 37 GLU H A 41 LEU HD1% 1.0 1.8 5.65 740 518 A 37 GLU H A 77 ALA HA 1.0 1.8 4.18 741 519 A 77 ALA HB% A 37 GLU H 1.0 1.8 4.43 742 520 A 38 PRO HA A 39 THR H 1.0 1.8 3.79 743 521 A 40 ILE HG2% A 38 PRO HA 1.0 1.8 4.99 744 522 A 40 ILE H A 38 PRO HBy 1.0 1.8 4.91 745 522 A 38 PRO HBx A 40 ILE H 1.0 1.8 4.91 746 523 A 40 ILE HG2% A 38 PRO HDx 1.0 1.8 4.80 747 523 A 40 ILE HG2% A 38 PRO HDy 1.0 1.8 4.80 748 524 A 41 LEU HD1% A 38 PRO HDx 1.0 1.8 3.83 749 524 A 38 PRO HDy A 41 LEU HD1% 1.0 1.8 3.83 750 525 A 41 LEU HD2% A 38 PRO HDx 1.0 1.8 5.12 751 525 A 38 PRO HDy A 41 LEU HD2% 1.0 1.8 5.12 752 526 A 77 ALA HA A 38 PRO HDx 1.0 1.8 4.21 753 526 A 38 PRO HDy A 77 ALA HA 1.0 1.8 4.21 754 527 A 77 ALA HB% A 38 PRO HDx 1.0 1.8 4.69 755 527 A 77 ALA HB% A 38 PRO HDy 1.0 1.8 4.69 756 528 A 77 ALA H A 38 PRO HDx 1.0 1.8 5.27 757 528 A 38 PRO HDy A 77 ALA H 1.0 1.8 5.27 758 529 A 78 ILE HD1% A 38 PRO HDx 1.0 1.8 4.98 759 529 A 78 ILE HD1% A 38 PRO HDy 1.0 1.8 4.98 760 530 A 38 PRO HDx A 78 ILE HG1x 1.0 1.8 5.52 761 530 A 38 PRO HDy A 78 ILE HG1x 1.0 1.8 5.52 762 530 A 78 ILE HG1y A 38 PRO HDx 1.0 1.8 5.52 763 530 A 38 PRO HDy A 78 ILE HG1y 1.0 1.8 5.52 764 531 A 78 ILE H A 38 PRO HDx 1.0 1.8 4.48 765 531 A 38 PRO HDy A 78 ILE H 1.0 1.8 4.48 766 532 A 41 LEU HD1% A 38 PRO HGy 1.0 1.8 5.02 767 532 A 38 PRO HGx A 41 LEU HD1% 1.0 1.8 5.02 768 533 A 41 LEU HD2% A 38 PRO HGy 1.0 1.8 5.72 769 533 A 38 PRO HGx A 41 LEU HD2% 1.0 1.8 5.72 770 534 A 78 ILE HB A 38 PRO HGy 1.0 1.8 5.41 771 534 A 38 PRO HGx A 78 ILE HB 1.0 1.8 5.41 772 535 A 78 ILE HD1% A 38 PRO HGy 1.0 1.8 4.80 773 535 A 78 ILE HD1% A 38 PRO HGx 1.0 1.8 4.80 774 536 A 38 PRO HGx A 78 ILE HG1x 1.0 1.8 4.57 775 536 A 38 PRO HGy A 78 ILE HG1x 1.0 1.8 4.57 776 536 A 78 ILE HG1y A 38 PRO HGy 1.0 1.8 4.57 777 536 A 38 PRO HGx A 78 ILE HG1y 1.0 1.8 4.57 778 537 A 78 ILE H A 38 PRO HGy 1.0 1.8 6.00 779 537 A 38 PRO HGx A 78 ILE H 1.0 1.8 6.00 780 538 A 39 THR HA A 39 THR HG2% 1.0 1.8 3.59 781 539 A 39 THR HA A 42 ALA H 1.0 1.8 4.50 782 540 A 40 ILE H A 39 THR HB 1.0 1.8 4.85 783 541 A 40 ILE H A 39 THR HG2% 1.0 1.8 4.75 784 542 A 39 THR H A 39 THR HG2% 1.0 1.8 3.80 785 543 A 39 THR H A 40 ILE H 1.0 1.8 4.66 786 544 A 40 ILE HD1% A 40 ILE HA 1.0 1.8 4.20 787 545 A 40 ILE HA A 43 LYS HBy 1.0 1.8 4.87 788 545 A 40 ILE HA A 43 LYS HBx 1.0 1.8 4.87 789 546 A 40 ILE HA A 43 LYS H 1.0 1.8 4.74 790 547 A 40 ILE HD1% A 40 ILE HB 1.0 1.8 3.16 791 548 A 40 ILE HB A 41 LEU H 1.0 1.8 5.15 792 549 A 40 ILE HB A 49 ILE HD1% 1.0 1.8 4.62 793 550 A 40 ILE HB A 49 ILE HG1x 1.0 1.8 5.74 794 550 A 49 ILE HG1y A 40 ILE HB 1.0 1.8 5.74 795 551 A 40 ILE HB A 78 ILE HD1% 1.0 1.8 5.49 796 552 A 40 ILE HD1% A 41 LEU H 1.0 1.8 5.85 797 553 A 40 ILE HD1% A 43 LYS HBy 1.0 1.8 4.40 798 553 A 40 ILE HD1% A 43 LYS HBx 1.0 1.8 4.40 799 554 A 40 ILE HD1% A 43 LYS H 1.0 1.8 5.70 800 555 A 40 ILE HD1% A 44 GLU HBx 1.0 1.8 5.95 801 556 A 40 ILE HD1% A 44 GLU HBy 1.0 1.8 5.95 802 557 A 40 ILE HD1% A 44 GLU H 1.0 1.8 5.30 803 558 A 40 ILE HD1% A 49 ILE HD1% 1.0 1.8 4.55 804 559 A 40 ILE HD1% A 49 ILE HG1x 1.0 1.8 4.10 805 559 A 40 ILE HD1% A 49 ILE HG1y 1.0 1.8 4.10 806 560 A 41 LEU H A 40 ILE HG1x 1.0 1.8 5.98 807 560 A 40 ILE HG1y A 41 LEU H 1.0 1.8 5.98 808 561 A 42 ALA H A 40 ILE HG1x 1.0 1.8 5.87 809 561 A 40 ILE HG1y A 42 ALA H 1.0 1.8 5.87 810 562 A 44 GLU H A 40 ILE HG1x 1.0 1.8 5.06 811 563 A 49 ILE HD1% A 40 ILE HG1x 1.0 1.8 4.94 812 564 A 49 ILE HG1y A 40 ILE HG1x 1.0 1.8 5.10 813 564 A 40 ILE HG1x A 49 ILE HG1x 1.0 1.8 5.10 814 565 A 40 ILE HG1y A 44 GLU H 1.0 1.8 5.06 815 566 A 40 ILE HG1y A 49 ILE HD1% 1.0 1.8 4.94 816 567 A 40 ILE HG1y A 49 ILE HG1y 1.0 1.8 5.10 817 567 A 40 ILE HG1y A 49 ILE HG1x 1.0 1.8 5.10 818 568 A 40 ILE HD1% A 40 ILE HG2% 1.0 1.8 3.64 819 569 A 40 ILE HG2% A 40 ILE HG1x 1.0 1.8 3.50 820 570 A 40 ILE HG1y A 40 ILE HG2% 1.0 1.8 3.50 821 571 A 40 ILE HG2% A 41 LEU HA 1.0 1.8 5.04 822 572 A 40 ILE HG2% A 41 LEU HBy 1.0 1.8 4.92 823 572 A 40 ILE HG2% A 41 LEU HBx 1.0 1.8 4.92 824 573 A 40 ILE HG2% A 41 LEU HD2% 1.0 1.8 3.79 825 574 A 40 ILE HG2% A 41 LEU HG 1.0 1.8 3.86 826 575 A 40 ILE HG2% A 41 LEU H 1.0 1.8 3.79 827 576 A 40 ILE HG2% A 42 ALA H 1.0 1.8 4.93 828 577 A 40 ILE HG2% A 43 LYS H 1.0 1.8 6.05 829 578 A 40 ILE HG2% A 44 GLU HBy 1.0 1.8 6.00 830 578 A 40 ILE HG2% A 44 GLU HBx 1.0 1.8 6.00 831 579 A 40 ILE HG2% A 49 ILE HD1% 1.0 1.8 3.34 832 580 A 40 ILE HG2% A 49 ILE HG1x 1.0 1.8 4.94 833 580 A 40 ILE HG2% A 49 ILE HG1y 1.0 1.8 4.94 834 581 A 49 ILE HG2% A 40 ILE HG2% 1.0 1.8 4.42 835 582 A 40 ILE HG2% A 78 ILE HD1% 1.0 1.8 3.38 836 583 A 40 ILE HB A 40 ILE H 1.0 1.8 3.48 837 584 A 40 ILE HD1% A 40 ILE H 1.0 1.8 4.79 838 585 A 40 ILE H A 40 ILE HG1x 1.0 1.8 5.44 839 585 A 40 ILE HG1y A 40 ILE H 1.0 1.8 5.44 840 586 A 40 ILE HG2% A 40 ILE H 1.0 1.8 3.53 841 587 A 40 ILE H A 41 LEU H 1.0 1.8 4.31 842 588 A 49 ILE HD1% A 40 ILE H 1.0 1.8 6.00 843 589 A 78 ILE HD1% A 40 ILE H 1.0 1.8 5.50 844 590 A 41 LEU HD1% A 41 LEU HA 1.0 1.8 4.48 845 591 A 41 LEU HD2% A 41 LEU HA 1.0 1.8 3.31 846 592 A 44 GLU H A 41 LEU HA 1.0 1.8 5.00 847 593 A 41 LEU HD2% A 41 LEU HBy 1.0 1.8 3.52 848 593 A 41 LEU HD2% A 41 LEU HBx 1.0 1.8 3.52 849 594 A 42 ALA H A 41 LEU HBy 1.0 1.8 3.99 850 594 A 42 ALA H A 41 LEU HBx 1.0 1.8 3.99 851 595 A 41 LEU HD1% A 41 LEU HBx 1.0 1.8 3.55 852 596 A 41 LEU HD1% A 41 LEU HBy 1.0 1.8 3.55 853 597 A 41 LEU HD1% A 75 PRO HA 1.0 1.8 5.53 854 598 A 41 LEU HD1% A 75 PRO HBx 1.0 1.8 5.58 855 599 A 41 LEU HD1% A 75 PRO HBy 1.0 1.8 5.58 856 600 A 41 LEU HD1% A 75 PRO HGx 1.0 1.8 5.80 857 601 A 41 LEU HD1% A 75 PRO HGy 1.0 1.8 5.80 858 602 A 41 LEU HD1% A 76 THR HA 1.0 1.8 5.20 859 603 A 41 LEU HD1% A 76 THR H 1.0 1.8 4.99 860 604 A 77 ALA HA A 41 LEU HD1% 1.0 1.8 4.70 861 605 A 41 LEU HD1% A 77 ALA H 1.0 1.8 5.00 862 606 A 41 LEU HD2% A 42 ALA H 1.0 1.8 5.25 863 607 A 41 LEU HD2% A 45 SER HA 1.0 1.8 5.22 864 608 A 41 LEU HD2% A 46 THR HA 1.0 1.8 4.79 865 609 A 41 LEU HD2% A 46 THR HG2% 1.0 1.8 3.34 866 610 A 41 LEU HD2% A 46 THR H 1.0 1.8 4.70 867 611 A 49 ILE HD1% A 41 LEU HD2% 1.0 1.8 4.31 868 612 A 41 LEU HD2% A 68 GLY HAx 1.0 1.8 5.70 869 612 A 41 LEU HD2% A 68 GLY HAy 1.0 1.8 5.70 870 613 A 41 LEU HD2% A 75 PRO HBx 1.0 1.8 5.83 871 613 A 41 LEU HD2% A 75 PRO HBy 1.0 1.8 5.83 872 614 A 41 LEU HD2% A 75 PRO HGx 1.0 1.8 6.00 873 614 A 41 LEU HD2% A 75 PRO HGy 1.0 1.8 6.00 874 615 A 49 ILE HD1% A 41 LEU HG 1.0 1.8 5.28 875 616 A 78 ILE HD1% A 41 LEU HG 1.0 1.8 4.93 876 617 A 41 LEU HG A 78 ILE HG1x 1.0 1.8 5.27 877 617 A 78 ILE HG1y A 41 LEU HG 1.0 1.8 5.27 878 618 A 41 LEU H A 41 LEU HBy 1.0 1.8 3.65 879 618 A 41 LEU H A 41 LEU HBx 1.0 1.8 3.65 880 619 A 41 LEU HD1% A 41 LEU H 1.0 1.8 4.69 881 620 A 41 LEU HD2% A 41 LEU H 1.0 1.8 5.02 882 621 A 41 LEU H A 41 LEU HG 1.0 1.8 4.04 883 622 A 42 ALA H A 41 LEU H 1.0 1.8 3.49 884 623 A 43 LYS H A 42 ALA HA 1.0 1.8 3.84 885 624 A 43 LYS H A 42 ALA HB% 1.0 1.8 3.60 886 625 A 42 ALA H A 42 ALA HB% 1.0 1.8 2.89 887 626 A 42 ALA H A 43 LYS HBy 1.0 1.8 4.64 888 626 A 42 ALA H A 43 LYS HBx 1.0 1.8 4.64 889 627 A 42 ALA H A 44 GLU H 1.0 1.8 4.60 890 628 A 43 LYS HA A 43 LYS HDx 1.0 1.8 4.20 891 628 A 43 LYS HA A 43 LYS HDy 1.0 1.8 4.20 892 629 A 43 LYS HA A 43 LYS HGy 1.0 1.8 3.49 893 629 A 43 LYS HA A 43 LYS HGx 1.0 1.8 3.49 894 630 A 43 LYS HBy A 43 LYS HDx 1.0 1.8 2.89 895 630 A 43 LYS HBx A 43 LYS HDx 1.0 1.8 2.89 896 630 A 43 LYS HDy A 43 LYS HBy 1.0 1.8 2.89 897 630 A 43 LYS HBx A 43 LYS HDy 1.0 1.8 2.89 898 631 A 44 GLU H A 43 LYS HBy 1.0 1.8 3.41 899 631 A 43 LYS HBx A 44 GLU H 1.0 1.8 3.41 900 632 A 44 GLU H A 43 LYS HDx 1.0 1.8 5.60 901 632 A 44 GLU H A 43 LYS HDy 1.0 1.8 5.60 902 633 A 43 LYS HDx A 43 LYS HGy 1.0 1.8 2.48 903 633 A 43 LYS HDy A 43 LYS HGy 1.0 1.8 2.48 904 633 A 43 LYS HGx A 43 LYS HDx 1.0 1.8 2.48 905 633 A 43 LYS HDy A 43 LYS HGx 1.0 1.8 2.48 906 634 A 43 LYS HEx A 43 LYS HGy 1.0 1.8 3.34 907 634 A 43 LYS HEy A 43 LYS HGy 1.0 1.8 3.34 908 634 A 43 LYS HGx A 43 LYS HEx 1.0 1.8 3.34 909 634 A 43 LYS HGx A 43 LYS HEy 1.0 1.8 3.34 910 635 A 44 GLU H A 43 LYS HGy 1.0 1.8 5.87 911 635 A 44 GLU H A 43 LYS HGx 1.0 1.8 5.87 912 636 A 43 LYS H A 43 LYS HBy 1.0 1.8 3.21 913 636 A 43 LYS HBx A 43 LYS H 1.0 1.8 3.21 914 637 A 43 LYS H A 43 LYS HDx 1.0 1.8 4.94 915 637 A 43 LYS H A 43 LYS HDy 1.0 1.8 4.94 916 638 A 43 LYS H A 43 LYS HGy 1.0 1.8 4.27 917 638 A 43 LYS H A 43 LYS HGx 1.0 1.8 4.27 918 639 A 43 LYS H A 44 GLU H 1.0 1.8 3.06 919 640 A 44 GLU HA A 44 GLU HGx 1.0 1.8 4.11 920 641 A 44 GLU HA A 44 GLU HGy 1.0 1.8 4.11 921 642 A 44 GLU HA A 45 SER H 1.0 1.8 3.30 922 643 A 44 GLU HBx A 45 SER H 1.0 1.8 4.25 923 644 A 49 ILE HD1% A 44 GLU HBx 1.0 1.8 5.71 924 645 A 49 ILE HG1y A 44 GLU HBx 1.0 1.8 5.78 925 645 A 44 GLU HBx A 49 ILE HG1x 1.0 1.8 5.78 926 646 A 45 SER H A 44 GLU HBy 1.0 1.8 4.25 927 647 A 49 ILE HD1% A 44 GLU HBy 1.0 1.8 5.71 928 648 A 49 ILE HG1y A 44 GLU HBy 1.0 1.8 6.00 929 648 A 44 GLU HBy A 49 ILE HG1x 1.0 1.8 6.00 930 649 A 45 SER H A 44 GLU HGx 1.0 1.8 4.55 931 649 A 45 SER H A 44 GLU HGy 1.0 1.8 4.55 932 650 A 44 GLU H A 44 GLU HBx 1.0 1.8 4.29 933 651 A 44 GLU H A 44 GLU HBy 1.0 1.8 4.29 934 652 A 44 GLU H A 44 GLU HGx 1.0 1.8 3.96 935 652 A 44 GLU H A 44 GLU HGy 1.0 1.8 3.96 936 653 A 44 GLU H A 45 SER H 1.0 1.8 5.01 937 654 A 49 ILE HD1% A 44 GLU H 1.0 1.8 5.75 938 655 A 45 SER HA A 46 THR HG2% 1.0 1.8 4.76 939 656 A 45 SER HA A 46 THR H 1.0 1.8 3.03 940 657 A 45 SER HA A 47 ASP H 1.0 1.8 4.87 941 658 A 49 ILE HD1% A 45 SER HA 1.0 1.8 5.61 942 659 A 46 THR H A 45 SER HBy 1.0 1.8 3.75 943 659 A 46 THR H A 45 SER HBx 1.0 1.8 3.75 944 660 A 45 SER HBx A 47 ASP HBy 1.0 1.8 4.82 945 660 A 45 SER HBy A 47 ASP HBy 1.0 1.8 4.82 946 660 A 47 ASP HBx A 45 SER HBy 1.0 1.8 4.82 947 660 A 45 SER HBx A 47 ASP HBx 1.0 1.8 4.82 948 661 A 47 ASP H A 45 SER HBy 1.0 1.8 3.81 949 661 A 47 ASP H A 45 SER HBx 1.0 1.8 3.81 950 662 A 48 ASP H A 45 SER HBy 1.0 1.8 4.87 951 662 A 45 SER HBx A 48 ASP H 1.0 1.8 4.87 952 663 A 45 SER H A 45 SER HBy 1.0 1.8 3.49 953 663 A 45 SER H A 45 SER HBx 1.0 1.8 3.49 954 664 A 45 SER H A 48 ASP HBy 1.0 1.8 4.14 955 664 A 45 SER H A 48 ASP HBx 1.0 1.8 4.14 956 665 A 45 SER H A 48 ASP H 1.0 1.8 5.10 957 666 A 46 THR HA A 46 THR HG2% 1.0 1.8 3.39 958 667 A 46 THR HA A 47 ASP H 1.0 1.8 3.86 959 668 A 46 THR HA A 48 ASP H 1.0 1.8 4.41 960 669 A 46 THR HA A 49 ILE HB 1.0 1.8 4.72 961 670 A 49 ILE HD1% A 46 THR HA 1.0 1.8 3.61 962 671 A 46 THR HA A 49 ILE HG1x 1.0 1.8 5.38 963 672 A 49 ILE HG1y A 46 THR HA 1.0 1.8 5.38 964 673 A 46 THR HA A 49 ILE H 1.0 1.8 4.88 965 674 A 47 ASP H A 46 THR HB 1.0 1.8 4.70 966 675 A 49 ILE HD1% A 46 THR HB 1.0 1.8 5.00 967 676 A 46 THR HB A 68 GLY HAx 1.0 1.8 5.26 968 676 A 68 GLY HAy A 46 THR HB 1.0 1.8 5.26 969 677 A 78 ILE HD1% A 46 THR HB 1.0 1.8 5.35 970 678 A 46 THR HG2% A 47 ASP H 1.0 1.8 4.51 971 679 A 46 THR HG2% A 48 ASP H 1.0 1.8 5.78 972 680 A 46 THR HG2% A 68 GLY HAx 1.0 1.8 4.80 973 681 A 46 THR HG2% A 68 GLY HAy 1.0 1.8 4.80 974 682 A 46 THR HG2% A 69 LYS H 1.0 1.8 5.31 975 683 A 46 THR HG2% A 70 PHE HE% 1.0 1.8 4.80 976 684 A 46 THR HG2% A 75 PRO HBx 1.0 1.8 5.46 977 685 A 46 THR HG2% A 75 PRO HBy 1.0 1.8 5.46 978 686 A 46 THR HG2% A 75 PRO HDx 1.0 1.8 6.05 979 687 A 46 THR HG2% A 75 PRO HDy 1.0 1.8 6.05 980 688 A 46 THR HG2% A 75 PRO HGx 1.0 1.8 5.20 981 689 A 46 THR HG2% A 75 PRO HGy 1.0 1.8 5.20 982 690 A 78 ILE HD1% A 46 THR HG2% 1.0 1.8 4.60 983 691 A 46 THR H A 46 THR HB 1.0 1.8 4.09 984 692 A 46 THR HG2% A 46 THR H 1.0 1.8 3.26 985 693 A 46 THR H A 47 ASP H 1.0 1.8 3.43 986 694 A 49 ILE HD1% A 46 THR H 1.0 1.8 5.14 987 695 A 78 ILE HD1% A 46 THR H 1.0 1.8 6.00 988 696 A 48 ASP H A 47 ASP HA 1.0 1.8 3.83 989 697 A 49 ILE H A 47 ASP HA 1.0 1.8 4.99 990 698 A 48 ASP H A 47 ASP HBy 1.0 1.8 3.97 991 698 A 47 ASP HBx A 48 ASP H 1.0 1.8 3.97 992 699 A 47 ASP H A 47 ASP HBy 1.0 1.8 2.95 993 699 A 47 ASP H A 47 ASP HBx 1.0 1.8 2.95 994 700 A 47 ASP H A 48 ASP H 1.0 1.8 3.41 995 701 A 47 ASP H A 49 ILE H 1.0 1.8 4.97 996 702 A 49 ILE HD1% A 48 ASP HBy 1.0 1.8 5.30 997 702 A 49 ILE HD1% A 48 ASP HBx 1.0 1.8 5.30 998 703 A 49 ILE H A 48 ASP HBy 1.0 1.8 4.35 999 703 A 48 ASP HBx A 49 ILE H 1.0 1.8 4.35 1000 704 A 48 ASP H A 48 ASP HBy 1.0 1.8 3.23 1001 704 A 48 ASP H A 48 ASP HBx 1.0 1.8 3.23 1002 705 A 48 ASP H A 49 ILE HB 1.0 1.8 4.89 1003 706 A 48 ASP H A 49 ILE H 1.0 1.8 3.42 1004 707 A 49 ILE HD1% A 49 ILE HA 1.0 1.8 4.65 1005 708 A 49 ILE HA A 49 ILE HG1x 1.0 1.8 4.33 1006 709 A 49 ILE HG1y A 49 ILE HA 1.0 1.8 4.33 1007 710 A 49 ILE HG2% A 49 ILE HA 1.0 1.8 3.67 1008 711 A 49 ILE HA A 50 THR H 1.0 1.8 3.50 1009 712 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 3.56 1010 713 A 49 ILE HB A 50 THR H 1.0 1.8 4.98 1011 714 A 49 ILE HD1% A 50 THR H 1.0 1.8 5.86 1012 715 A 49 ILE HD1% A 68 GLY HAx 1.0 1.8 6.00 1013 716 A 49 ILE HD1% A 68 GLY HAy 1.0 1.8 6.00 1014 717 A 49 ILE HD1% A 78 ILE HD1% 1.0 1.8 3.43 1015 718 A 49 ILE HD1% A 78 ILE HG2% 1.0 1.8 5.02 1016 719 A 50 THR H A 49 ILE HG1x 1.0 1.8 5.20 1017 719 A 49 ILE HG1y A 50 THR H 1.0 1.8 5.20 1018 720 A 49 ILE HG2% A 49 ILE HD1% 1.0 1.8 3.16 1019 721 A 49 ILE HG2% A 49 ILE HG1x 1.0 1.8 3.65 1020 721 A 49 ILE HG2% A 49 ILE HG1y 1.0 1.8 3.65 1021 722 A 49 ILE HG2% A 50 THR HA 1.0 1.8 4.68 1022 723 A 49 ILE HG2% A 50 THR H 1.0 1.8 3.66 1023 724 A 49 ILE HG2% A 51 GLY H 1.0 1.8 4.88 1024 725 A 49 ILE HG2% A 78 ILE HD1% 1.0 1.8 4.09 1025 726 A 49 ILE HG2% A 78 ILE HG2% 1.0 1.8 3.75 1026 727 A 49 ILE HB A 49 ILE H 1.0 1.8 3.64 1027 728 A 49 ILE HD1% A 49 ILE H 1.0 1.8 4.55 1028 729 A 49 ILE H A 49 ILE HG1x 1.0 1.8 4.94 1029 730 A 49 ILE HG1y A 49 ILE H 1.0 1.8 4.94 1030 731 A 49 ILE HG2% A 49 ILE H 1.0 1.8 4.55 1031 732 A 49 ILE H A 50 THR H 1.0 1.8 5.06 1032 733 A 50 THR HA A 50 THR HG2% 1.0 1.8 3.69 1033 734 A 50 THR HA A 51 GLY H 1.0 1.8 3.78 1034 735 A 50 THR HA A 66 VAL HB 1.0 1.8 4.80 1035 736 A 66 VAL HG1% A 50 THR HA 1.0 1.8 5.10 1036 737 A 50 THR HB A 64 ARG HDx 1.0 1.8 5.41 1037 737 A 50 THR HB A 64 ARG HDy 1.0 1.8 5.41 1038 738 A 51 GLY H A 50 THR HG2% 1.0 1.8 4.62 1039 739 A 50 THR HG2% A 64 ARG HE 1.0 1.8 5.60 1040 740 A 50 THR H A 50 THR HG2% 1.0 1.8 4.30 1041 741 A 52 MET H A 51 GLY HAx 1.0 1.8 3.37 1042 741 A 51 GLY HAy A 52 MET H 1.0 1.8 3.37 1043 742 A 66 VAL HG1% A 51 GLY HAx 1.0 1.8 6.00 1044 742 A 66 VAL HG1% A 51 GLY HAy 1.0 1.8 6.00 1045 743 A 62 ILE HG2% A 51 GLY HAx 1.0 1.8 5.26 1046 744 A 64 ARG HA A 51 GLY HAx 1.0 1.8 4.09 1047 745 A 64 ARG HDy A 51 GLY HAx 1.0 1.8 5.04 1048 745 A 51 GLY HAx A 64 ARG HDx 1.0 1.8 5.04 1049 746 A 64 ARG HGx A 51 GLY HAx 1.0 1.8 5.87 1050 746 A 51 GLY HAx A 64 ARG HGy 1.0 1.8 5.87 1051 747 A 66 VAL HG2% A 51 GLY HAx 1.0 1.8 4.87 1052 748 A 51 GLY HAy A 62 ILE HG2% 1.0 1.8 5.26 1053 749 A 63 THR HG2% A 51 GLY HAy 1.0 1.8 6.05 1054 750 A 51 GLY HAy A 64 ARG HA 1.0 1.8 4.09 1055 751 A 64 ARG HDy A 51 GLY HAy 1.0 1.8 5.04 1056 751 A 51 GLY HAy A 64 ARG HDx 1.0 1.8 5.04 1057 752 A 51 GLY HAy A 64 ARG HGx 1.0 1.8 5.87 1058 752 A 51 GLY HAy A 64 ARG HGy 1.0 1.8 5.87 1059 753 A 66 VAL HG2% A 51 GLY HAy 1.0 1.8 4.87 1060 754 A 51 GLY H A 52 MET H 1.0 1.8 4.70 1061 755 A 51 GLY H A 64 ARG HA 1.0 1.8 4.80 1062 756 A 66 VAL HG1% A 51 GLY H 1.0 1.8 4.54 1063 757 A 66 VAL HG2% A 51 GLY H 1.0 1.8 5.07 1064 758 A 52 MET HA A 53 TYR H 1.0 1.8 3.40 1065 759 A 52 MET HA A 66 VAL HG1% 1.0 1.8 5.00 1066 760 A 52 MET HA A 66 VAL HG2% 1.0 1.8 5.13 1067 761 A 63 THR H A 52 MET HBx 1.0 1.8 4.51 1068 761 A 52 MET HBy A 63 THR H 1.0 1.8 4.51 1069 762 A 63 THR HG2% A 52 MET HBx 1.0 1.8 4.59 1070 763 A 66 VAL HG1% A 52 MET HBx 1.0 1.8 5.32 1071 764 A 66 VAL HG2% A 52 MET HBx 1.0 1.8 5.12 1072 765 A 52 MET HBy A 63 THR HG2% 1.0 1.8 4.59 1073 766 A 52 MET HBy A 66 VAL HG1% 1.0 1.8 4.48 1074 767 A 52 MET HBy A 66 VAL HG2% 1.0 1.8 5.12 1075 768 A 53 TYR H A 52 MET HGy 1.0 1.8 3.82 1076 768 A 52 MET HGx A 53 TYR H 1.0 1.8 3.82 1077 769 A 54 LEU HD2% A 52 MET HGy 1.0 1.8 4.43 1078 769 A 54 LEU HD2% A 52 MET HGx 1.0 1.8 4.43 1079 770 A 66 VAL HG1% A 52 MET HGy 1.0 1.8 5.10 1080 770 A 52 MET HGx A 66 VAL HG1% 1.0 1.8 5.10 1081 771 A 52 MET H A 52 MET HBx 1.0 1.8 4.20 1082 772 A 52 MET HBy A 52 MET H 1.0 1.8 4.20 1083 773 A 53 TYR H A 52 MET H 1.0 1.8 5.06 1084 774 A 52 MET H A 62 ILE HG2% 1.0 1.8 5.10 1085 775 A 63 THR HG2% A 52 MET H 1.0 1.8 4.20 1086 776 A 52 MET H A 63 THR H 1.0 1.8 4.10 1087 777 A 52 MET H A 64 ARG HA 1.0 1.8 4.30 1088 778 A 52 MET H A 64 ARG HDx 1.0 1.8 5.14 1089 778 A 64 ARG HDy A 52 MET H 1.0 1.8 5.14 1090 779 A 66 VAL HG2% A 52 MET H 1.0 1.8 4.80 1091 780 A 53 TYR HD% A 53 TYR HA 1.0 1.8 5.39 1092 781 A 53 TYR HA A 53 TYR HE% 1.0 1.8 5.59 1093 782 A 53 TYR HA A 54 LEU H 1.0 1.8 3.23 1094 783 A 53 TYR HA A 62 ILE HA 1.0 1.8 4.00 1095 784 A 53 TYR HA A 62 ILE HD1% 1.0 1.8 4.76 1096 785 A 63 THR H A 53 TYR HA 1.0 1.8 4.30 1097 786 A 53 TYR HBx A 55 ILE HG1x 1.0 1.8 5.61 1098 786 A 53 TYR HBy A 55 ILE HG1x 1.0 1.8 5.61 1099 787 A 55 ILE HG1y A 53 TYR HBx 1.0 1.8 5.61 1100 787 A 53 TYR HBy A 55 ILE HG1y 1.0 1.8 5.61 1101 788 A 54 LEU H A 53 TYR HBx 1.0 1.8 5.15 1102 789 A 55 ILE HD1% A 53 TYR HBx 1.0 1.8 4.35 1103 790 A 54 LEU H A 53 TYR HBy 1.0 1.8 5.15 1104 791 A 55 ILE HD1% A 53 TYR HBy 1.0 1.8 4.35 1105 792 A 53 TYR HD% A 62 ILE HD1% 1.0 1.8 4.11 1106 793 A 53 TYR HD% A 62 ILE HG1x 1.0 1.8 5.17 1107 794 A 53 TYR HD% A 62 ILE HG1y 1.0 1.8 5.17 1108 795 A 53 TYR HD% A 62 ILE HG2% 1.0 1.8 4.60 1109 796 A 53 TYR HE% A 62 ILE HD1% 1.0 1.8 5.00 1110 797 A 62 ILE HG2% A 53 TYR HE% 1.0 1.8 4.38 1111 798 A 53 TYR H A 53 TYR HD% 1.0 1.8 3.84 1112 799 A 53 TYR H A 53 TYR HE% 1.0 1.8 5.38 1113 800 A 54 LEU HA A 54 LEU HD1% 1.0 1.8 5.28 1114 801 A 54 LEU HA A 54 LEU HD2% 1.0 1.8 3.75 1115 802 A 55 ILE H A 54 LEU HA 1.0 1.8 3.50 1116 803 A 54 LEU HD1% A 54 LEU HBy 1.0 1.8 3.71 1117 803 A 54 LEU HD1% A 54 LEU HBx 1.0 1.8 3.71 1118 804 A 60 GLU HA A 54 LEU HBy 1.0 1.8 5.01 1119 804 A 54 LEU HBx A 60 GLU HA 1.0 1.8 5.01 1120 805 A 61 ILE HB A 54 LEU HBy 1.0 1.8 3.89 1121 805 A 54 LEU HBx A 61 ILE HB 1.0 1.8 3.89 1122 806 A 61 ILE HD1% A 54 LEU HBy 1.0 1.8 4.07 1123 806 A 54 LEU HBx A 61 ILE HD1% 1.0 1.8 4.07 1124 807 A 61 ILE H A 54 LEU HBy 1.0 1.8 4.25 1125 807 A 54 LEU HBx A 61 ILE H 1.0 1.8 4.25 1126 808 A 54 LEU HBx A 61 ILE HG2% 1.0 1.8 5.60 1127 809 A 61 ILE HG2% A 54 LEU HBy 1.0 1.8 5.60 1128 810 A 54 LEU HD1% A 61 ILE HB 1.0 1.8 4.14 1129 811 A 54 LEU HD1% A 61 ILE HD1% 1.0 1.8 3.83 1130 812 A 54 LEU HD1% A 61 ILE HG2% 1.0 1.8 3.49 1131 813 A 54 LEU HD1% A 61 ILE H 1.0 1.8 5.42 1132 814 A 82 VAL HB A 54 LEU HD1% 1.0 1.8 5.07 1133 815 A 54 LEU HD1% A 82 VAL HG2% 1.0 1.8 4.29 1134 816 A 54 LEU HD1% A 93 PHE HD% 1.0 1.8 4.99 1135 817 A 55 ILE H A 54 LEU HD2% 1.0 1.8 5.15 1136 818 A 54 LEU HD2% A 82 VAL HG2% 1.0 1.8 5.08 1137 819 A 54 LEU H A 54 LEU HBy 1.0 1.8 3.83 1138 819 A 54 LEU H A 54 LEU HBx 1.0 1.8 3.83 1139 820 A 54 LEU HD1% A 54 LEU H 1.0 1.8 4.43 1140 821 A 54 LEU HD2% A 54 LEU H 1.0 1.8 4.92 1141 822 A 54 LEU H A 54 LEU HG 1.0 1.8 3.86 1142 823 A 54 LEU H A 61 ILE HB 1.0 1.8 4.65 1143 824 A 54 LEU H A 61 ILE H 1.0 1.8 4.15 1144 825 A 54 LEU H A 62 ILE HA 1.0 1.8 4.30 1145 826 A 54 LEU H A 62 ILE HD1% 1.0 1.8 4.80 1146 827 A 55 ILE HA A 55 ILE HD1% 1.0 1.8 4.00 1147 828 A 55 ILE HA A 55 ILE HG1x 1.0 1.8 4.50 1148 829 A 55 ILE HA A 55 ILE HG1y 1.0 1.8 4.50 1149 830 A 55 ILE HG2% A 55 ILE HA 1.0 1.8 3.45 1150 831 A 55 ILE HA A 56 ASP H 1.0 1.8 3.80 1151 832 A 55 ILE HA A 60 GLU HA 1.0 1.8 4.00 1152 833 A 55 ILE HA A 60 GLU HGx 1.0 1.8 4.97 1153 833 A 55 ILE HA A 60 GLU HGy 1.0 1.8 4.97 1154 834 A 55 ILE HB A 55 ILE HD1% 1.0 1.8 3.69 1155 835 A 55 ILE HB A 56 ASP H 1.0 1.8 5.13 1156 836 A 55 ILE HD1% A 56 ASP H 1.0 1.8 5.40 1157 837 A 55 ILE HD1% A 60 GLU HA 1.0 1.8 5.20 1158 838 A 55 ILE HD1% A 60 GLU HBx 1.0 1.8 4.61 1159 839 A 55 ILE HD1% A 60 GLU HBy 1.0 1.8 4.61 1160 840 A 55 ILE HD1% A 60 GLU HGx 1.0 1.8 5.10 1161 840 A 55 ILE HD1% A 60 GLU HGy 1.0 1.8 5.10 1162 841 A 55 ILE HD1% A 61 ILE H 1.0 1.8 5.06 1163 842 A 56 ASP H A 55 ILE HG1x 1.0 1.8 4.80 1164 842 A 56 ASP H A 55 ILE HG1y 1.0 1.8 4.80 1165 843 A 60 GLU HA A 55 ILE HG1x 1.0 1.8 4.96 1166 843 A 60 GLU HA A 55 ILE HG1y 1.0 1.8 4.96 1167 844 A 55 ILE HG1y A 60 GLU HBy 1.0 1.8 4.06 1168 844 A 55 ILE HG1x A 60 GLU HBy 1.0 1.8 4.06 1169 844 A 60 GLU HBx A 55 ILE HG1x 1.0 1.8 4.06 1170 844 A 55 ILE HG1y A 60 GLU HBx 1.0 1.8 4.06 1171 845 A 55 ILE HG1x A 60 GLU HGx 1.0 1.8 5.20 1172 845 A 55 ILE HG1y A 60 GLU HGx 1.0 1.8 5.20 1173 845 A 60 GLU HGy A 55 ILE HG1x 1.0 1.8 5.20 1174 845 A 60 GLU HGy A 55 ILE HG1y 1.0 1.8 5.20 1175 846 A 60 GLU HBx A 55 ILE HG1x 1.0 1.8 4.68 1176 846 A 55 ILE HG1x A 60 GLU HBy 1.0 1.8 4.68 1177 847 A 55 ILE HG1y A 60 GLU HBx 1.0 1.8 4.68 1178 847 A 55 ILE HG1y A 60 GLU HBy 1.0 1.8 4.68 1179 848 A 55 ILE HG2% A 55 ILE HD1% 1.0 1.8 3.53 1180 849 A 55 ILE HG2% A 55 ILE HG1x 1.0 1.8 3.52 1181 850 A 55 ILE HG2% A 55 ILE HG1y 1.0 1.8 3.52 1182 851 A 55 ILE HG2% A 56 ASP HA 1.0 1.8 5.01 1183 852 A 55 ILE HG2% A 56 ASP H 1.0 1.8 3.41 1184 853 A 55 ILE HG2% A 60 GLU HA 1.0 1.8 4.94 1185 854 A 55 ILE HG2% A 60 GLU HBx 1.0 1.8 4.97 1186 855 A 55 ILE HG2% A 60 GLU HBy 1.0 1.8 4.97 1187 856 A 55 ILE HG2% A 60 GLU HGx 1.0 1.8 5.49 1188 856 A 55 ILE HG2% A 60 GLU HGy 1.0 1.8 5.49 1189 857 A 55 ILE HB A 55 ILE H 1.0 1.8 3.66 1190 858 A 55 ILE HD1% A 55 ILE H 1.0 1.8 4.42 1191 859 A 55 ILE H A 55 ILE HG1x 1.0 1.8 4.60 1192 860 A 55 ILE H A 55 ILE HG1y 1.0 1.8 4.60 1193 861 A 55 ILE HG2% A 55 ILE H 1.0 1.8 4.27 1194 862 A 57 ASP H A 56 ASP HBx 1.0 1.8 4.00 1195 862 A 56 ASP HBy A 57 ASP H 1.0 1.8 4.00 1196 863 A 58 GLU H A 56 ASP HBx 1.0 1.8 5.22 1197 863 A 56 ASP HBy A 58 GLU H 1.0 1.8 5.22 1198 864 A 56 ASP H A 59 GLY H 1.0 1.8 4.60 1199 865 A 60 GLU HA A 56 ASP H 1.0 1.8 4.60 1200 866 A 57 ASP H A 57 ASP HBx 1.0 1.8 3.81 1201 866 A 57 ASP H A 57 ASP HBy 1.0 1.8 3.81 1202 867 A 57 ASP H A 58 GLU H 1.0 1.8 4.16 1203 868 A 58 GLU HA A 58 GLU HGx 1.0 1.8 3.78 1204 868 A 58 GLU HA A 58 GLU HGy 1.0 1.8 3.78 1205 869 A 59 GLY H A 58 GLU HBy 1.0 1.8 3.84 1206 869 A 59 GLY H A 58 GLU HBx 1.0 1.8 3.84 1207 870 A 59 GLY H A 58 GLU HGx 1.0 1.8 5.48 1208 870 A 59 GLY H A 58 GLU HGy 1.0 1.8 5.48 1209 871 A 58 GLU H A 58 GLU HBx 1.0 1.8 4.06 1210 872 A 58 GLU H A 58 GLU HBy 1.0 1.8 4.06 1211 873 A 58 GLU H A 58 GLU HGx 1.0 1.8 4.86 1212 873 A 58 GLU H A 58 GLU HGy 1.0 1.8 4.86 1213 874 A 58 GLU H A 59 GLY H 1.0 1.8 3.40 1214 875 A 60 GLU H A 59 GLY HAy 1.0 1.8 2.87 1215 875 A 59 GLY HAx A 60 GLU H 1.0 1.8 2.87 1216 876 A 59 GLY H A 60 GLU H 1.0 1.8 4.74 1217 877 A 60 GLU HA A 61 ILE HG1y 1.0 1.8 5.12 1218 877 A 60 GLU HA A 61 ILE HG1x 1.0 1.8 5.12 1219 878 A 60 GLU HA A 61 ILE H 1.0 1.8 3.33 1220 879 A 61 ILE H A 60 GLU HBx 1.0 1.8 4.84 1221 880 A 62 ILE HD1% A 60 GLU HBx 1.0 1.8 5.33 1222 881 A 61 ILE H A 60 GLU HBy 1.0 1.8 4.84 1223 882 A 62 ILE HD1% A 60 GLU HBy 1.0 1.8 5.33 1224 883 A 61 ILE H A 60 GLU HGx 1.0 1.8 4.80 1225 883 A 61 ILE H A 60 GLU HGy 1.0 1.8 4.80 1226 884 A 62 ILE HD1% A 60 GLU HGx 1.0 1.8 4.19 1227 884 A 62 ILE HD1% A 60 GLU HGy 1.0 1.8 4.19 1228 885 A 60 GLU HGx A 62 ILE HG1x 1.0 1.8 5.18 1229 885 A 60 GLU HGy A 62 ILE HG1x 1.0 1.8 5.18 1230 886 A 62 ILE HG1y A 60 GLU HGx 1.0 1.8 5.18 1231 886 A 60 GLU HGy A 62 ILE HG1y 1.0 1.8 5.18 1232 887 A 62 ILE H A 60 GLU HGx 1.0 1.8 5.38 1233 887 A 60 GLU HGy A 62 ILE H 1.0 1.8 5.38 1234 888 A 60 GLU H A 60 GLU HBy 1.0 1.8 3.72 1235 888 A 60 GLU HBx A 60 GLU H 1.0 1.8 3.72 1236 889 A 60 GLU H A 60 GLU HGx 1.0 1.8 3.97 1237 889 A 60 GLU HGy A 60 GLU H 1.0 1.8 3.97 1238 890 A 61 ILE H A 60 GLU H 1.0 1.8 4.91 1239 891 A 61 ILE HD1% A 61 ILE HA 1.0 1.8 4.51 1240 892 A 61 ILE HG2% A 61 ILE HA 1.0 1.8 3.69 1241 893 A 62 ILE H A 61 ILE HA 1.0 1.8 3.03 1242 894 A 61 ILE HB A 61 ILE HD1% 1.0 1.8 3.69 1243 895 A 61 ILE HD1% A 92 ARG HA 1.0 1.8 5.80 1244 896 A 61 ILE HD1% A 92 ARG HBy 1.0 1.8 4.29 1245 896 A 61 ILE HD1% A 92 ARG HBx 1.0 1.8 4.29 1246 897 A 61 ILE HD1% A 92 ARG HDy 1.0 1.8 4.70 1247 897 A 61 ILE HD1% A 92 ARG HDx 1.0 1.8 4.70 1248 898 A 61 ILE HD1% A 92 ARG HGy 1.0 1.8 4.19 1249 898 A 61 ILE HD1% A 92 ARG HGx 1.0 1.8 4.19 1250 899 A 61 ILE HD1% A 93 PHE HA 1.0 1.8 4.80 1251 900 A 61 ILE HD1% A 93 PHE HD% 1.0 1.8 4.14 1252 901 A 61 ILE HD1% A 93 PHE H 1.0 1.8 5.05 1253 902 A 61 ILE HD1% A 96 PHE HBx 1.0 1.8 5.16 1254 902 A 61 ILE HD1% A 96 PHE HBy 1.0 1.8 5.16 1255 903 A 62 ILE H A 61 ILE HG1y 1.0 1.8 5.13 1256 903 A 61 ILE HG1x A 62 ILE H 1.0 1.8 5.13 1257 904 A 62 ILE HA A 61 ILE HG2% 1.0 1.8 4.87 1258 905 A 61 ILE HG2% A 62 ILE HG1x 1.0 1.8 5.13 1259 905 A 61 ILE HG2% A 62 ILE HG1y 1.0 1.8 5.13 1260 906 A 61 ILE HG2% A 62 ILE H 1.0 1.8 3.22 1261 907 A 61 ILE HG2% A 93 PHE HD% 1.0 1.8 5.80 1262 908 A 61 ILE HB A 61 ILE H 1.0 1.8 3.89 1263 909 A 61 ILE HD1% A 61 ILE H 1.0 1.8 4.83 1264 910 A 61 ILE H A 61 ILE HG1y 1.0 1.8 4.36 1265 910 A 61 ILE H A 61 ILE HG1x 1.0 1.8 4.36 1266 911 A 62 ILE HD1% A 61 ILE H 1.0 1.8 5.25 1267 912 A 62 ILE HA A 62 ILE HD1% 1.0 1.8 4.91 1268 913 A 63 THR H A 62 ILE HA 1.0 1.8 3.09 1269 914 A 62 ILE HD1% A 62 ILE HB 1.0 1.8 3.67 1270 915 A 63 THR H A 62 ILE HB 1.0 1.8 4.55 1271 916 A 62 ILE HG2% A 62 ILE HD1% 1.0 1.8 3.30 1272 917 A 62 ILE HG2% A 62 ILE HG1x 1.0 1.8 4.04 1273 918 A 62 ILE HG2% A 62 ILE HG1y 1.0 1.8 4.04 1274 919 A 62 ILE HG2% A 63 THR H 1.0 1.8 3.48 1275 920 A 62 ILE HG2% A 64 ARG HDx 1.0 1.8 4.13 1276 920 A 64 ARG HDy A 62 ILE HG2% 1.0 1.8 4.13 1277 921 A 62 ILE HG2% A 64 ARG HGy 1.0 1.8 5.49 1278 921 A 62 ILE HG2% A 64 ARG HGx 1.0 1.8 5.49 1279 922 A 62 ILE HG2% A 64 ARG H 1.0 1.8 5.14 1280 923 A 62 ILE H A 62 ILE HB 1.0 1.8 3.34 1281 924 A 62 ILE HD1% A 62 ILE H 1.0 1.8 4.70 1282 925 A 62 ILE H A 62 ILE HG1x 1.0 1.8 5.31 1283 926 A 62 ILE H A 62 ILE HG1y 1.0 1.8 5.31 1284 927 A 62 ILE HG2% A 62 ILE H 1.0 1.8 4.40 1285 928 A 63 THR H A 62 ILE H 1.0 1.8 5.08 1286 929 A 63 THR HG2% A 63 THR HA 1.0 1.8 4.06 1287 930 A 64 ARG H A 63 THR HA 1.0 1.8 3.12 1288 931 A 64 ARG H A 63 THR HB 1.0 1.8 4.76 1289 932 A 82 VAL HG2% A 63 THR HB 1.0 1.8 4.83 1290 933 A 63 THR HG2% A 64 ARG H 1.0 1.8 4.47 1291 933 A 64 ARG H A 63 THR HG1 1.0 1.8 4.47 1292 934 A 63 THR HG2% A 65 GLU HBx 1.0 1.8 4.48 1293 934 A 63 THR HG1 A 65 GLU HBy 1.0 1.8 4.48 1294 934 A 63 THR HG2% A 65 GLU HBy 1.0 1.8 4.48 1295 934 A 63 THR HG1 A 65 GLU HBx 1.0 1.8 4.48 1296 935 A 63 THR HG1 A 65 GLU HGx 1.0 1.8 4.30 1297 935 A 63 THR HG2% A 65 GLU HGx 1.0 1.8 4.30 1298 935 A 63 THR HG1 A 65 GLU HGy 1.0 1.8 4.30 1299 935 A 63 THR HG2% A 65 GLU HGy 1.0 1.8 4.30 1300 936 A 63 THR HG2% A 65 GLU H 1.0 1.8 3.88 1301 936 A 63 THR HG1 A 65 GLU H 1.0 1.8 3.88 1302 937 A 63 THR HG2% A 82 VAL HA 1.0 1.8 4.46 1303 937 A 63 THR HG1 A 82 VAL HA 1.0 1.8 4.46 1304 938 A 63 THR HG2% A 82 VAL HG2% 1.0 1.8 4.76 1305 938 A 82 VAL HG2% A 63 THR HG1 1.0 1.8 4.76 1306 939 A 63 THR HG2% A 64 ARG H 1.0 1.8 4.53 1307 940 A 63 THR HG2% A 65 GLU HBy 1.0 1.8 4.48 1308 940 A 63 THR HG2% A 65 GLU HBx 1.0 1.8 4.48 1309 941 A 63 THR HG2% A 65 GLU H 1.0 1.8 3.94 1310 942 A 63 THR HG2% A 81 THR H 1.0 1.8 4.91 1311 943 A 82 VAL HB A 63 THR HG2% 1.0 1.8 4.91 1312 944 A 63 THR HG2% A 82 VAL HG2% 1.0 1.8 3.28 1313 945 A 63 THR HG2% A 63 THR H 1.0 1.8 4.30 1314 946 A 63 THR H A 64 ARG H 1.0 1.8 4.86 1315 947 A 82 VAL HG2% A 63 THR H 1.0 1.8 5.89 1316 948 A 64 ARG HA A 64 ARG HDx 1.0 1.8 3.23 1317 948 A 64 ARG HDy A 64 ARG HA 1.0 1.8 3.23 1318 949 A 64 ARG HA A 64 ARG HGy 1.0 1.8 3.54 1319 949 A 64 ARG HA A 64 ARG HGx 1.0 1.8 3.54 1320 950 A 66 VAL HG2% A 64 ARG HA 1.0 1.8 4.16 1321 951 A 64 ARG HBx A 64 ARG HDx 1.0 1.8 3.85 1322 951 A 64 ARG HDy A 64 ARG HBx 1.0 1.8 3.85 1323 952 A 65 GLU H A 64 ARG HBx 1.0 1.8 5.30 1324 953 A 64 ARG HBy A 64 ARG HDx 1.0 1.8 3.85 1325 953 A 64 ARG HDy A 64 ARG HBy 1.0 1.8 3.85 1326 954 A 65 GLU H A 64 ARG HBy 1.0 1.8 5.30 1327 955 A 64 ARG H A 64 ARG HBx 1.0 1.8 4.25 1328 956 A 64 ARG H A 64 ARG HBy 1.0 1.8 4.25 1329 957 A 64 ARG H A 64 ARG HDx 1.0 1.8 5.08 1330 957 A 64 ARG HDy A 64 ARG H 1.0 1.8 5.08 1331 958 A 64 ARG H A 64 ARG HGy 1.0 1.8 4.60 1332 958 A 64 ARG HGx A 64 ARG H 1.0 1.8 4.60 1333 959 A 64 ARG H A 65 GLU HGx 1.0 1.8 4.51 1334 959 A 64 ARG H A 65 GLU HGy 1.0 1.8 4.51 1335 960 A 64 ARG H A 65 GLU H 1.0 1.8 4.35 1336 961 A 65 GLU HA A 65 GLU HGx 1.0 1.8 3.74 1337 961 A 65 GLU HGy A 65 GLU HA 1.0 1.8 3.74 1338 962 A 65 GLU HA A 66 VAL H 1.0 1.8 3.30 1339 963 A 81 THR H A 65 GLU HA 1.0 1.8 5.28 1340 964 A 81 THR HG2% A 65 GLU HBx 1.0 1.8 4.69 1341 964 A 81 THR HG1 A 65 GLU HBy 1.0 1.8 4.69 1342 964 A 81 THR HG2% A 65 GLU HBy 1.0 1.8 4.69 1343 964 A 65 GLU HBx A 81 THR HG1 1.0 1.8 4.69 1344 965 A 65 GLU HBx A 81 THR H 1.0 1.8 4.66 1345 966 A 81 THR H A 65 GLU HBy 1.0 1.8 4.66 1346 967 A 66 VAL H A 65 GLU HGx 1.0 1.8 5.27 1347 967 A 65 GLU HGy A 66 VAL H 1.0 1.8 5.27 1348 968 A 81 THR HB A 65 GLU HGx 1.0 1.8 5.00 1349 968 A 65 GLU HGy A 81 THR HB 1.0 1.8 5.00 1350 969 A 81 THR H A 65 GLU HGx 1.0 1.8 5.70 1351 969 A 65 GLU HGy A 81 THR H 1.0 1.8 5.70 1352 970 A 65 GLU H A 65 GLU HGx 1.0 1.8 3.90 1353 970 A 65 GLU HGy A 65 GLU H 1.0 1.8 3.90 1354 971 A 66 VAL HG2% A 65 GLU H 1.0 1.8 4.49 1355 972 A 65 GLU H A 66 VAL H 1.0 1.8 4.28 1356 973 A 66 VAL HG1% A 66 VAL HA 1.0 1.8 3.67 1357 974 A 66 VAL HG2% A 66 VAL HA 1.0 1.8 3.70 1358 975 A 66 VAL HA A 67 LYS HGx 1.0 1.8 5.03 1359 975 A 66 VAL HA A 67 LYS HGy 1.0 1.8 5.03 1360 976 A 66 VAL HA A 67 LYS H 1.0 1.8 2.97 1361 977 A 78 ILE HG2% A 66 VAL HA 1.0 1.8 5.00 1362 978 A 66 VAL HA A 80 ALA HA 1.0 1.8 3.64 1363 979 A 80 ALA HB% A 66 VAL HA 1.0 1.8 3.98 1364 980 A 81 THR H A 66 VAL HA 1.0 1.8 4.41 1365 981 A 66 VAL HB A 67 LYS H 1.0 1.8 4.55 1366 982 A 78 ILE HG2% A 66 VAL HB 1.0 1.8 5.20 1367 983 A 66 VAL HG1% A 67 LYS H 1.0 1.8 3.86 1368 984 A 66 VAL HG1% A 78 ILE HD1% 1.0 1.8 5.00 1369 985 A 66 VAL HG1% A 78 ILE HG2% 1.0 1.8 3.67 1370 986 A 66 VAL HG1% A 80 ALA HA 1.0 1.8 4.20 1371 987 A 66 VAL HG1% A 80 ALA HB% 1.0 1.8 3.08 1372 988 A 66 VAL HG1% A 80 ALA H 1.0 1.8 5.24 1373 989 A 66 VAL HG1% A 81 THR H 1.0 1.8 5.60 1374 990 A 66 VAL HG2% A 67 LYS H 1.0 1.8 4.91 1375 991 A 66 VAL HG2% A 81 THR H 1.0 1.8 5.82 1376 992 A 66 VAL HB A 66 VAL H 1.0 1.8 4.15 1377 993 A 66 VAL HG1% A 66 VAL H 1.0 1.8 4.37 1378 994 A 66 VAL HG2% A 66 VAL H 1.0 1.8 3.33 1379 995 A 66 VAL H A 67 LYS HGx 1.0 1.8 4.72 1380 995 A 66 VAL H A 67 LYS HGy 1.0 1.8 4.72 1381 996 A 66 VAL H A 67 LYS H 1.0 1.8 4.86 1382 997 A 67 LYS HA A 67 LYS HEx 1.0 1.8 4.80 1383 997 A 67 LYS HA A 67 LYS HEy 1.0 1.8 4.80 1384 998 A 67 LYS HA A 67 LYS HGx 1.0 1.8 3.86 1385 998 A 67 LYS HGy A 67 LYS HA 1.0 1.8 3.86 1386 999 A 67 LYS HA A 68 GLY H 1.0 1.8 3.80 1387 1000 A 67 LYS HBy A 67 LYS HEx 1.0 1.8 3.80 1388 1000 A 67 LYS HBx A 67 LYS HEx 1.0 1.8 3.80 1389 1000 A 67 LYS HEy A 67 LYS HBx 1.0 1.8 3.80 1390 1000 A 67 LYS HEy A 67 LYS HBy 1.0 1.8 3.80 1391 1001 A 67 LYS HDy A 67 LYS HBx 1.0 1.8 3.42 1392 1001 A 67 LYS HBx A 67 LYS HDx 1.0 1.8 3.42 1393 1002 A 68 GLY H A 67 LYS HBx 1.0 1.8 4.36 1394 1003 A 67 LYS HBy A 67 LYS HDy 1.0 1.8 3.42 1395 1003 A 67 LYS HBy A 67 LYS HDx 1.0 1.8 3.42 1396 1004 A 68 GLY H A 67 LYS HBy 1.0 1.8 4.36 1397 1005 A 68 GLY H A 67 LYS HGx 1.0 1.8 4.44 1398 1005 A 67 LYS HGy A 68 GLY H 1.0 1.8 4.44 1399 1006 A 67 LYS H A 67 LYS HGx 1.0 1.8 3.64 1400 1006 A 67 LYS HGy A 67 LYS H 1.0 1.8 3.64 1401 1007 A 78 ILE HG2% A 67 LYS H 1.0 1.8 3.89 1402 1008 A 67 LYS H A 79 GLU H 1.0 1.8 4.30 1403 1009 A 67 LYS H A 80 ALA HA 1.0 1.8 4.22 1404 1010 A 80 ALA HB% A 67 LYS H 1.0 1.8 5.12 1405 1011 A 78 ILE HA A 68 GLY HAx 1.0 1.8 4.81 1406 1011 A 68 GLY HAy A 78 ILE HA 1.0 1.8 4.81 1407 1012 A 68 GLY HAy A 78 ILE HG1x 1.0 1.8 5.89 1408 1012 A 68 GLY HAx A 78 ILE HG1x 1.0 1.8 5.89 1409 1012 A 78 ILE HG1y A 68 GLY HAx 1.0 1.8 5.89 1410 1012 A 78 ILE HG1y A 68 GLY HAy 1.0 1.8 5.89 1411 1013 A 79 GLU H A 68 GLY HAx 1.0 1.8 5.22 1412 1013 A 68 GLY HAy A 79 GLU H 1.0 1.8 5.22 1413 1014 A 69 LYS HA A 68 GLY HAx 1.0 1.8 5.18 1414 1015 A 69 LYS H A 68 GLY HAx 1.0 1.8 3.70 1415 1016 A 78 ILE HD1% A 68 GLY HAx 1.0 1.8 5.22 1416 1017 A 78 ILE HG1y A 68 GLY HAx 1.0 1.8 5.10 1417 1017 A 68 GLY HAx A 78 ILE HG1x 1.0 1.8 5.10 1418 1018 A 78 ILE HG2% A 68 GLY HAx 1.0 1.8 6.05 1419 1019 A 68 GLY HAy A 69 LYS H 1.0 1.8 3.70 1420 1020 A 78 ILE HD1% A 68 GLY HAy 1.0 1.8 5.22 1421 1021 A 78 ILE HG1y A 68 GLY HAy 1.0 1.8 5.10 1422 1021 A 68 GLY HAy A 78 ILE HG1x 1.0 1.8 5.10 1423 1022 A 78 ILE HG2% A 68 GLY HAy 1.0 1.8 6.05 1424 1023 A 69 LYS H A 68 GLY H 1.0 1.8 4.89 1425 1024 A 68 GLY H A 78 ILE HG1x 1.0 1.8 5.80 1426 1024 A 78 ILE HG1y A 68 GLY H 1.0 1.8 5.80 1427 1025 A 69 LYS HA A 69 LYS HDx 1.0 1.8 4.57 1428 1025 A 69 LYS HDy A 69 LYS HA 1.0 1.8 4.57 1429 1026 A 69 LYS HA A 69 LYS HGx 1.0 1.8 4.36 1430 1027 A 69 LYS HGy A 69 LYS HA 1.0 1.8 4.36 1431 1028 A 69 LYS HA A 70 PHE H 1.0 1.8 3.05 1432 1029 A 76 THR H A 69 LYS HBx 1.0 1.8 5.17 1433 1029 A 69 LYS HBy A 76 THR H 1.0 1.8 5.17 1434 1030 A 69 LYS HDy A 69 LYS HBx 1.0 1.8 3.93 1435 1030 A 69 LYS HBx A 69 LYS HDx 1.0 1.8 3.93 1436 1031 A 69 LYS HEx A 69 LYS HBx 1.0 1.8 5.38 1437 1031 A 69 LYS HBx A 69 LYS HEy 1.0 1.8 5.38 1438 1032 A 70 PHE H A 69 LYS HBx 1.0 1.8 4.99 1439 1033 A 77 ALA H A 69 LYS HBx 1.0 1.8 4.75 1440 1034 A 69 LYS HBy A 69 LYS HDy 1.0 1.8 3.93 1441 1034 A 69 LYS HBy A 69 LYS HDx 1.0 1.8 3.93 1442 1035 A 69 LYS HEx A 69 LYS HBy 1.0 1.8 5.38 1443 1035 A 69 LYS HBy A 69 LYS HEy 1.0 1.8 5.38 1444 1036 A 69 LYS HBy A 70 PHE H 1.0 1.8 4.99 1445 1037 A 69 LYS HBy A 77 ALA H 1.0 1.8 4.75 1446 1038 A 69 LYS HEx A 79 GLU HBy 1.0 1.8 5.80 1447 1038 A 69 LYS HEy A 79 GLU HBy 1.0 1.8 5.80 1448 1038 A 79 GLU HBx A 69 LYS HEy 1.0 1.8 5.80 1449 1038 A 69 LYS HEx A 79 GLU HBx 1.0 1.8 5.80 1450 1039 A 79 GLU H A 69 LYS HEy 1.0 1.8 4.88 1451 1039 A 69 LYS HEx A 79 GLU H 1.0 1.8 4.88 1452 1040 A 78 ILE HA A 69 LYS HGx 1.0 1.8 4.73 1453 1040 A 69 LYS HGy A 78 ILE HA 1.0 1.8 4.73 1454 1041 A 79 GLU HBx A 69 LYS HGx 1.0 1.8 4.47 1455 1041 A 69 LYS HGy A 79 GLU HBx 1.0 1.8 4.47 1456 1042 A 69 LYS HGy A 79 GLU HBy 1.0 1.8 4.47 1457 1042 A 69 LYS HGx A 79 GLU HBy 1.0 1.8 4.47 1458 1043 A 79 GLU H A 69 LYS HGx 1.0 1.8 4.26 1459 1043 A 69 LYS HGy A 79 GLU H 1.0 1.8 4.26 1460 1044 A 69 LYS H A 69 LYS HBx 1.0 1.8 4.03 1461 1045 A 69 LYS HBy A 69 LYS H 1.0 1.8 4.03 1462 1046 A 69 LYS H A 69 LYS HGx 1.0 1.8 4.00 1463 1046 A 69 LYS HGy A 69 LYS H 1.0 1.8 4.00 1464 1047 A 69 LYS H A 70 PHE H 1.0 1.8 4.80 1465 1048 A 77 ALA H A 69 LYS H 1.0 1.8 4.80 1466 1049 A 69 LYS H A 78 ILE HA 1.0 1.8 4.30 1467 1050 A 78 ILE HD1% A 69 LYS H 1.0 1.8 5.93 1468 1051 A 69 LYS H A 78 ILE HG1x 1.0 1.8 5.37 1469 1051 A 78 ILE HG1y A 69 LYS H 1.0 1.8 5.37 1470 1052 A 78 ILE HG2% A 69 LYS H 1.0 1.8 5.36 1471 1053 A 69 LYS H A 79 GLU H 1.0 1.8 4.95 1472 1054 A 70 PHE HA A 70 PHE HD% 1.0 1.8 5.01 1473 1055 A 70 PHE HA A 71 ILE H 1.0 1.8 3.33 1474 1056 A 75 PRO HA A 70 PHE HA 1.0 1.8 3.69 1475 1057 A 70 PHE HA A 75 PRO HBx 1.0 1.8 4.86 1476 1057 A 75 PRO HBy A 70 PHE HA 1.0 1.8 4.86 1477 1058 A 76 THR H A 70 PHE HA 1.0 1.8 4.37 1478 1059 A 70 PHE HD% A 74 ARG HA 1.0 1.8 5.06 1479 1060 A 75 PRO HA A 70 PHE HD% 1.0 1.8 5.17 1480 1061 A 70 PHE HD% A 75 PRO HDx 1.0 1.8 5.33 1481 1061 A 70 PHE HD% A 75 PRO HDy 1.0 1.8 5.33 1482 1062 A 70 PHE HE% A 75 PRO HBx 1.0 1.8 5.33 1483 1062 A 75 PRO HBy A 70 PHE HE% 1.0 1.8 5.33 1484 1063 A 70 PHE HE% A 75 PRO HDx 1.0 1.8 5.36 1485 1064 A 70 PHE HE% A 75 PRO HDy 1.0 1.8 5.36 1486 1065 A 70 PHE HE% A 75 PRO HGx 1.0 1.8 4.87 1487 1065 A 75 PRO HGy A 70 PHE HE% 1.0 1.8 4.87 1488 1066 A 70 PHE H A 70 PHE HBx 1.0 1.8 3.99 1489 1067 A 70 PHE H A 70 PHE HBy 1.0 1.8 3.99 1490 1068 A 70 PHE H A 70 PHE HD% 1.0 1.8 4.60 1491 1069 A 70 PHE H A 71 ILE H 1.0 1.8 4.96 1492 1070 A 71 ILE HA A 71 ILE HD1% 1.0 1.8 3.93 1493 1071 A 71 ILE HA A 71 ILE HG1x 1.0 1.8 4.38 1494 1072 A 71 ILE HA A 71 ILE HG1y 1.0 1.8 4.38 1495 1073 A 71 ILE HA A 71 ILE HG2% 1.0 1.8 3.56 1496 1074 A 71 ILE HD1% A 71 ILE HB 1.0 1.8 3.64 1497 1075 A 71 ILE HB A 74 ARG H 1.0 1.8 4.80 1498 1076 A 76 THR HB A 71 ILE HB 1.0 1.8 4.91 1499 1077 A 71 ILE HD1% A 72 ASN HD21 1.0 1.8 5.57 1500 1077 A 71 ILE HD1% A 72 ASN HD22 1.0 1.8 5.57 1501 1078 A 76 THR HB A 71 ILE HD1% 1.0 1.8 4.76 1502 1079 A 71 ILE HD1% A 76 THR HG2% 1.0 1.8 3.80 1503 1080 A 76 THR HB A 71 ILE HG1x 1.0 1.8 4.98 1504 1081 A 76 THR HB A 71 ILE HG1y 1.0 1.8 4.98 1505 1082 A 71 ILE HG2% A 71 ILE HG1x 1.0 1.8 3.52 1506 1082 A 71 ILE HG2% A 71 ILE HG1y 1.0 1.8 3.52 1507 1083 A 71 ILE HG2% A 72 ASN HA 1.0 1.8 4.96 1508 1084 A 71 ILE HG2% A 72 ASN HBy 1.0 1.8 4.20 1509 1084 A 71 ILE HG2% A 72 ASN HBx 1.0 1.8 4.20 1510 1085 A 71 ILE HG2% A 72 ASN HD21 1.0 1.8 3.75 1511 1085 A 71 ILE HG2% A 72 ASN HD22 1.0 1.8 3.75 1512 1086 A 71 ILE HG2% A 72 ASN HD21 1.0 1.8 4.31 1513 1087 A 71 ILE HG2% A 72 ASN HD22 1.0 1.8 4.31 1514 1088 A 71 ILE HG2% A 72 ASN H 1.0 1.8 5.18 1515 1089 A 71 ILE HG2% A 74 ARG H 1.0 1.8 4.88 1516 1090 A 76 THR HB A 71 ILE HG2% 1.0 1.8 4.74 1517 1091 A 71 ILE H A 71 ILE HB 1.0 1.8 3.83 1518 1092 A 71 ILE H A 71 ILE HD1% 1.0 1.8 5.04 1519 1093 A 71 ILE H A 71 ILE HG1x 1.0 1.8 4.69 1520 1094 A 71 ILE H A 71 ILE HG1y 1.0 1.8 4.69 1521 1095 A 71 ILE H A 71 ILE HG2% 1.0 1.8 4.49 1522 1096 A 71 ILE H A 74 ARG H 1.0 1.8 4.57 1523 1097 A 75 PRO HA A 71 ILE H 1.0 1.8 4.68 1524 1098 A 76 THR H A 71 ILE H 1.0 1.8 4.51 1525 1099 A 72 ASN HA A 72 ASN HD21 1.0 1.8 5.27 1526 1099 A 72 ASN HA A 72 ASN HD22 1.0 1.8 5.27 1527 1100 A 72 ASN HA A 73 GLY H 1.0 1.8 3.81 1528 1101 A 74 ARG H A 72 ASN HA 1.0 1.8 4.80 1529 1102 A 72 ASN HD22 A 72 ASN HBy 1.0 1.8 3.37 1530 1102 A 72 ASN HD21 A 72 ASN HBy 1.0 1.8 3.37 1531 1102 A 72 ASN HBx A 72 ASN HD21 1.0 1.8 3.37 1532 1102 A 72 ASN HBx A 72 ASN HD22 1.0 1.8 3.37 1533 1103 A 74 ARG H A 73 GLY H 1.0 1.8 4.48 1534 1104 A 74 ARG HA A 74 ARG HGx 1.0 1.8 4.28 1535 1105 A 74 ARG HA A 74 ARG HGy 1.0 1.8 4.28 1536 1106 A 74 ARG HA A 75 PRO HDx 1.0 1.8 3.42 1537 1107 A 74 ARG HA A 75 PRO HDy 1.0 1.8 3.42 1538 1108 A 74 ARG HDy A 74 ARG HBx 1.0 1.8 4.64 1539 1108 A 74 ARG HBx A 74 ARG HDx 1.0 1.8 4.64 1540 1109 A 74 ARG HDy A 74 ARG HBy 1.0 1.8 4.64 1541 1109 A 74 ARG HBy A 74 ARG HDx 1.0 1.8 4.64 1542 1110 A 74 ARG HGx A 75 PRO HDx 1.0 1.8 4.33 1543 1110 A 74 ARG HGy A 75 PRO HDx 1.0 1.8 4.33 1544 1110 A 75 PRO HDy A 74 ARG HGx 1.0 1.8 4.33 1545 1110 A 75 PRO HDy A 74 ARG HGy 1.0 1.8 4.33 1546 1111 A 76 THR HA A 74 ARG HGx 1.0 1.8 5.08 1547 1111 A 76 THR HA A 74 ARG HGy 1.0 1.8 5.08 1548 1112 A 75 PRO HDy A 74 ARG HGx 1.0 1.8 4.77 1549 1112 A 74 ARG HGx A 75 PRO HDx 1.0 1.8 4.77 1550 1113 A 75 PRO HDy A 74 ARG HGy 1.0 1.8 4.77 1551 1113 A 74 ARG HGy A 75 PRO HDx 1.0 1.8 4.77 1552 1114 A 74 ARG H A 74 ARG HBx 1.0 1.8 3.47 1553 1114 A 74 ARG H A 74 ARG HBy 1.0 1.8 3.47 1554 1115 A 74 ARG H A 74 ARG HGx 1.0 1.8 4.82 1555 1116 A 74 ARG H A 74 ARG HGy 1.0 1.8 4.82 1556 1117 A 75 PRO HA A 76 THR H 1.0 1.8 3.27 1557 1118 A 77 ALA H A 75 PRO HA 1.0 1.8 5.07 1558 1119 A 76 THR H A 75 PRO HBx 1.0 1.8 4.53 1559 1119 A 76 THR H A 75 PRO HBy 1.0 1.8 4.53 1560 1120 A 76 THR HA A 76 THR HG2% 1.0 1.8 3.58 1561 1121 A 76 THR HA A 77 ALA H 1.0 1.8 3.60 1562 1122 A 76 THR HB A 77 ALA H 1.0 1.8 4.76 1563 1123 A 77 ALA H A 76 THR HG2% 1.0 1.8 4.05 1564 1124 A 76 THR H A 76 THR HG2% 1.0 1.8 4.30 1565 1125 A 77 ALA H A 76 THR H 1.0 1.8 4.80 1566 1126 A 78 ILE H A 77 ALA HA 1.0 1.8 3.48 1567 1127 A 77 ALA HB% A 78 ILE H 1.0 1.8 3.49 1568 1128 A 77 ALA HB% A 77 ALA H 1.0 1.8 3.44 1569 1129 A 78 ILE H A 77 ALA H 1.0 1.8 5.21 1570 1130 A 78 ILE HD1% A 78 ILE HA 1.0 1.8 4.25 1571 1131 A 79 GLU H A 78 ILE HA 1.0 1.8 3.13 1572 1132 A 78 ILE HD1% A 78 ILE HB 1.0 1.8 3.69 1573 1133 A 78 ILE HB A 79 GLU H 1.0 1.8 4.95 1574 1134 A 78 ILE HD1% A 79 GLU H 1.0 1.8 5.31 1575 1135 A 79 GLU H A 78 ILE HG1x 1.0 1.8 5.43 1576 1136 A 78 ILE HG1y A 79 GLU H 1.0 1.8 5.43 1577 1137 A 78 ILE HD1% A 78 ILE HG2% 1.0 1.8 3.00 1578 1138 A 78 ILE HG2% A 78 ILE HG1x 1.0 1.8 3.73 1579 1139 A 78 ILE HG2% A 78 ILE HG1y 1.0 1.8 3.73 1580 1140 A 78 ILE HG2% A 79 GLU HA 1.0 1.8 4.25 1581 1141 A 78 ILE HG2% A 79 GLU HBy 1.0 1.8 5.36 1582 1141 A 78 ILE HG2% A 79 GLU HBx 1.0 1.8 5.36 1583 1142 A 78 ILE HG2% A 79 GLU H 1.0 1.8 3.45 1584 1143 A 78 ILE HG2% A 80 ALA HA 1.0 1.8 4.70 1585 1144 A 78 ILE HG2% A 80 ALA HB% 1.0 1.8 3.99 1586 1145 A 78 ILE HG2% A 80 ALA H 1.0 1.8 4.92 1587 1146 A 78 ILE HB A 78 ILE H 1.0 1.8 3.88 1588 1147 A 78 ILE HD1% A 78 ILE H 1.0 1.8 5.30 1589 1148 A 78 ILE H A 78 ILE HG1x 1.0 1.8 5.15 1590 1149 A 78 ILE H A 78 ILE HG1y 1.0 1.8 5.15 1591 1150 A 78 ILE HG2% A 78 ILE H 1.0 1.8 4.36 1592 1151 A 78 ILE H A 79 GLU H 1.0 1.8 5.18 1593 1152 A 80 ALA H A 79 GLU HA 1.0 1.8 3.32 1594 1153 A 80 ALA HA A 79 GLU HGx 1.0 1.8 4.86 1595 1153 A 79 GLU HGy A 80 ALA HA 1.0 1.8 4.86 1596 1154 A 80 ALA H A 79 GLU HGx 1.0 1.8 4.39 1597 1154 A 79 GLU HGy A 80 ALA H 1.0 1.8 4.39 1598 1155 A 79 GLU H A 79 GLU HBx 1.0 1.8 4.03 1599 1156 A 79 GLU H A 79 GLU HBy 1.0 1.8 4.03 1600 1157 A 79 GLU H A 79 GLU HGx 1.0 1.8 4.62 1601 1157 A 79 GLU HGy A 79 GLU H 1.0 1.8 4.62 1602 1158 A 80 ALA H A 79 GLU H 1.0 1.8 4.81 1603 1159 A 81 THR HB A 80 ALA HA 1.0 1.8 5.58 1604 1160 A 81 THR H A 80 ALA HA 1.0 1.8 3.11 1605 1161 A 81 THR HA A 80 ALA HB% 1.0 1.8 4.60 1606 1162 A 80 ALA HB% A 81 THR H 1.0 1.8 3.56 1607 1163 A 81 THR HG2% A 81 THR HA 1.0 1.8 3.58 1608 1164 A 81 THR HA A 82 VAL HB 1.0 1.8 4.91 1609 1165 A 81 THR HA A 82 VAL HG2% 1.0 1.8 4.92 1610 1166 A 82 VAL H A 81 THR HA 1.0 1.8 3.33 1611 1167 A 83 ILE HD1% A 81 THR HB 1.0 1.8 5.32 1612 1168 A 81 THR HG2% A 82 VAL HA 1.0 1.8 4.83 1613 1169 A 81 THR HG2% A 82 VAL HG2% 1.0 1.8 4.95 1614 1170 A 81 THR HG2% A 82 VAL H 1.0 1.8 3.85 1615 1171 A 81 THR HG2% A 83 ILE HD1% 1.0 1.8 3.49 1616 1172 A 81 THR HG2% A 83 ILE H 1.0 1.8 5.31 1617 1173 A 81 THR H A 81 THR HB 1.0 1.8 3.65 1618 1174 A 81 THR HG2% A 81 THR H 1.0 1.8 4.85 1619 1174 A 81 THR H A 81 THR HG1 1.0 1.8 4.85 1620 1175 A 81 THR HG2% A 81 THR H 1.0 1.8 4.54 1621 1176 A 82 VAL HG2% A 81 THR H 1.0 1.8 5.25 1622 1177 A 82 VAL H A 81 THR H 1.0 1.8 4.85 1623 1178 A 82 VAL HG1% A 82 VAL HA 1.0 1.8 3.62 1624 1179 A 82 VAL HG2% A 82 VAL HA 1.0 1.8 3.55 1625 1180 A 82 VAL HA A 83 ILE H 1.0 1.8 3.22 1626 1181 A 82 VAL HB A 83 ILE H 1.0 1.8 5.02 1627 1182 A 84 LEU HD2% A 82 VAL HB 1.0 1.8 5.09 1628 1183 A 82 VAL HG1% A 83 ILE H 1.0 1.8 3.79 1629 1184 A 82 VAL HG1% A 84 LEU HD1% 1.0 1.8 3.86 1630 1185 A 82 VAL HG1% A 84 LEU HD2% 1.0 1.8 3.26 1631 1186 A 82 VAL HG1% A 84 LEU HG 1.0 1.8 5.17 1632 1187 A 82 VAL HG1% A 93 PHE HBx 1.0 1.8 5.60 1633 1187 A 82 VAL HG1% A 93 PHE HBy 1.0 1.8 5.60 1634 1188 A 82 VAL HG1% A 93 PHE HD% 1.0 1.8 4.57 1635 1189 A 82 VAL HG2% A 83 ILE H 1.0 1.8 4.62 1636 1190 A 82 VAL H A 82 VAL HB 1.0 1.8 3.86 1637 1191 A 82 VAL HG1% A 82 VAL H 1.0 1.8 4.94 1638 1192 A 82 VAL H A 82 VAL HG2% 1.0 1.8 3.81 1639 1193 A 83 ILE HD1% A 82 VAL H 1.0 1.8 4.72 1640 1194 A 82 VAL H A 83 ILE H 1.0 1.8 5.29 1641 1195 A 83 ILE HA A 83 ILE HD1% 1.0 1.8 3.65 1642 1196 A 83 ILE HG2% A 83 ILE HA 1.0 1.8 3.51 1643 1197 A 83 ILE HA A 84 LEU HD2% 1.0 1.8 5.82 1644 1198 A 84 LEU H A 83 ILE HA 1.0 1.8 3.36 1645 1199 A 83 ILE HD1% A 83 ILE HB 1.0 1.8 3.69 1646 1200 A 84 LEU H A 83 ILE HB 1.0 1.8 5.19 1647 1201 A 84 LEU H A 83 ILE HD1% 1.0 1.8 4.51 1648 1202 A 85 ASN HD22 A 83 ILE HD1% 1.0 1.8 5.37 1649 1203 A 84 LEU H A 83 ILE HG1y 1.0 1.8 5.59 1650 1203 A 84 LEU H A 83 ILE HG1x 1.0 1.8 5.59 1651 1204 A 83 ILE HG2% A 83 ILE HG1y 1.0 1.8 3.59 1652 1205 A 83 ILE HG2% A 83 ILE HG1x 1.0 1.8 3.59 1653 1206 A 83 ILE HG2% A 84 LEU H 1.0 1.8 3.74 1654 1207 A 85 ASN HA A 83 ILE HG2% 1.0 1.8 5.17 1655 1208 A 83 ILE HG2% A 85 ASN HBy 1.0 1.8 4.41 1656 1208 A 83 ILE HG2% A 85 ASN HBx 1.0 1.8 4.41 1657 1209 A 83 ILE HG2% A 85 ASN HD21 1.0 1.8 4.30 1658 1210 A 83 ILE HG2% A 85 ASN HD22 1.0 1.8 4.11 1659 1211 A 83 ILE HG2% A 85 ASN H 1.0 1.8 4.47 1660 1212 A 83 ILE H A 83 ILE HB 1.0 1.8 3.54 1661 1213 A 83 ILE HD1% A 83 ILE H 1.0 1.8 4.25 1662 1214 A 83 ILE H A 83 ILE HG1y 1.0 1.8 4.13 1663 1215 A 83 ILE H A 83 ILE HG1x 1.0 1.8 4.13 1664 1216 A 83 ILE HG2% A 83 ILE H 1.0 1.8 4.41 1665 1217 A 84 LEU HD1% A 84 LEU HA 1.0 1.8 4.71 1666 1218 A 84 LEU HD2% A 84 LEU HA 1.0 1.8 3.86 1667 1219 A 85 ASN H A 84 LEU HA 1.0 1.8 3.27 1668 1220 A 84 LEU HA A 86 SER H 1.0 1.8 4.35 1669 1221 A 84 LEU HD1% A 84 LEU HBy 1.0 1.8 4.37 1670 1221 A 84 LEU HBx A 84 LEU HD1% 1.0 1.8 4.37 1671 1222 A 86 SER H A 84 LEU HBy 1.0 1.8 5.15 1672 1222 A 84 LEU HBx A 86 SER H 1.0 1.8 5.15 1673 1223 A 84 LEU HBx A 84 LEU HD2% 1.0 1.8 4.37 1674 1224 A 84 LEU HD2% A 84 LEU HBy 1.0 1.8 4.37 1675 1225 A 84 LEU HD1% A 90 TRP HA 1.0 1.8 4.65 1676 1226 A 90 TRP HZ2 A 84 LEU HD1% 1.0 1.8 6.05 1677 1227 A 90 TRP HZ3 A 84 LEU HD1% 1.0 1.8 5.41 1678 1228 A 84 LEU HD1% A 93 PHE HBx 1.0 1.8 5.21 1679 1228 A 84 LEU HD1% A 93 PHE HBy 1.0 1.8 5.21 1680 1229 A 84 LEU HD1% A 93 PHE HD% 1.0 1.8 5.22 1681 1230 A 84 LEU HD2% A 85 ASN H 1.0 1.8 4.91 1682 1231 A 84 LEU HD2% A 86 SER H 1.0 1.8 5.20 1683 1232 A 84 LEU HD2% A 89 GLU HA 1.0 1.8 4.70 1684 1233 A 84 LEU HD2% A 89 GLU HBx 1.0 1.8 4.32 1685 1233 A 84 LEU HD2% A 89 GLU HBy 1.0 1.8 4.32 1686 1234 A 84 LEU HD2% A 89 GLU HGx 1.0 1.8 5.50 1687 1234 A 84 LEU HD2% A 89 GLU HGy 1.0 1.8 5.50 1688 1235 A 84 LEU HD2% A 89 GLU H 1.0 1.8 5.60 1689 1236 A 84 LEU HD2% A 90 TRP HA 1.0 1.8 4.39 1690 1237 A 84 LEU HD2% A 93 PHE HBx 1.0 1.8 4.02 1691 1237 A 84 LEU HD2% A 93 PHE HBy 1.0 1.8 4.02 1692 1238 A 84 LEU HD2% A 93 PHE HD% 1.0 1.8 4.73 1693 1239 A 84 LEU HD2% A 93 PHE H 1.0 1.8 4.88 1694 1240 A 84 LEU H A 84 LEU HD1% 1.0 1.8 4.98 1695 1241 A 84 LEU H A 84 LEU HD2% 1.0 1.8 4.46 1696 1242 A 84 LEU H A 84 LEU HG 1.0 1.8 4.39 1697 1243 A 84 LEU H A 85 ASN H 1.0 1.8 5.12 1698 1244 A 85 ASN HD22 A 85 ASN HBy 1.0 1.8 3.83 1699 1244 A 85 ASN HD22 A 85 ASN HBx 1.0 1.8 3.83 1700 1245 A 86 SER H A 85 ASN HBy 1.0 1.8 3.96 1701 1245 A 85 ASN HBx A 86 SER H 1.0 1.8 3.96 1702 1246 A 85 ASN H A 85 ASN HBy 1.0 1.8 3.37 1703 1246 A 85 ASN HBx A 85 ASN H 1.0 1.8 3.37 1704 1247 A 85 ASN HD21 A 85 ASN H 1.0 1.8 4.53 1705 1248 A 85 ASN H A 86 SER H 1.0 1.8 3.44 1706 1249 A 87 GLN H A 86 SER HBy 1.0 1.8 4.36 1707 1249 A 86 SER HBx A 87 GLN H 1.0 1.8 4.36 1708 1250 A 86 SER HBy A 89 GLU HBx 1.0 1.8 4.65 1709 1250 A 86 SER HBx A 89 GLU HBx 1.0 1.8 4.65 1710 1250 A 89 GLU HBy A 86 SER HBy 1.0 1.8 4.65 1711 1250 A 89 GLU HBy A 86 SER HBx 1.0 1.8 4.65 1712 1251 A 86 SER HBx A 89 GLU HGx 1.0 1.8 4.60 1713 1251 A 86 SER HBy A 89 GLU HGx 1.0 1.8 4.60 1714 1251 A 89 GLU HGy A 86 SER HBy 1.0 1.8 4.60 1715 1251 A 89 GLU HGy A 86 SER HBx 1.0 1.8 4.60 1716 1252 A 89 GLU H A 86 SER HBy 1.0 1.8 3.97 1717 1252 A 89 GLU H A 86 SER HBx 1.0 1.8 3.97 1718 1253 A 86 SER H A 89 GLU HBx 1.0 1.8 3.80 1719 1253 A 86 SER H A 89 GLU HBy 1.0 1.8 3.80 1720 1254 A 86 SER H A 89 GLU HGx 1.0 1.8 4.60 1721 1254 A 86 SER H A 89 GLU HGy 1.0 1.8 4.60 1722 1255 A 87 GLN HA A 87 GLN HGx 1.0 1.8 3.85 1723 1255 A 87 GLN HA A 87 GLN HGy 1.0 1.8 3.85 1724 1256 A 87 GLN HA A 90 TRP H 1.0 1.8 4.27 1725 1257 A 87 GLN HBy A 88 PRO HDy 1.0 1.8 3.49 1726 1257 A 88 PRO HDx A 87 GLN HBy 1.0 1.8 3.49 1727 1257 A 87 GLN HBx A 88 PRO HDx 1.0 1.8 3.49 1728 1257 A 87 GLN HBx A 88 PRO HDy 1.0 1.8 3.49 1729 1258 A 87 GLN HE21 A 87 GLN HGx 1.0 1.8 3.70 1730 1258 A 87 GLN HE22 A 87 GLN HGx 1.0 1.8 3.70 1731 1258 A 87 GLN HGy A 87 GLN HE22 1.0 1.8 3.70 1732 1258 A 87 GLN HGy A 87 GLN HE21 1.0 1.8 3.70 1733 1259 A 87 GLN HGx A 88 PRO HDy 1.0 1.8 4.19 1734 1259 A 87 GLN HGy A 88 PRO HDy 1.0 1.8 4.19 1735 1259 A 88 PRO HDx A 87 GLN HGx 1.0 1.8 4.19 1736 1259 A 87 GLN HGy A 88 PRO HDx 1.0 1.8 4.19 1737 1260 A 87 GLN H A 87 GLN HBy 1.0 1.8 3.66 1738 1260 A 87 GLN H A 87 GLN HBx 1.0 1.8 3.66 1739 1261 A 87 GLN H A 87 GLN HGx 1.0 1.8 4.75 1740 1261 A 87 GLN H A 87 GLN HGy 1.0 1.8 4.75 1741 1262 A 87 GLN H A 88 PRO HDy 1.0 1.8 4.14 1742 1262 A 87 GLN H A 88 PRO HDx 1.0 1.8 4.14 1743 1263 A 88 PRO HA A 91 ASP HBy 1.0 1.8 4.06 1744 1263 A 88 PRO HA A 91 ASP HBx 1.0 1.8 4.06 1745 1264 A 88 PRO HA A 91 ASP H 1.0 1.8 4.55 1746 1265 A 88 PRO HA A 92 ARG H 1.0 1.8 5.17 1747 1266 A 89 GLU H A 88 PRO HBy 1.0 1.8 4.09 1748 1266 A 89 GLU H A 88 PRO HBx 1.0 1.8 4.09 1749 1267 A 89 GLU H A 88 PRO HDy 1.0 1.8 4.92 1750 1267 A 89 GLU H A 88 PRO HDx 1.0 1.8 4.92 1751 1268 A 89 GLU HA A 89 GLU HGx 1.0 1.8 3.61 1752 1268 A 89 GLU HA A 89 GLU HGy 1.0 1.8 3.61 1753 1269 A 89 GLU HA A 92 ARG HBy 1.0 1.8 4.20 1754 1269 A 92 ARG HBx A 89 GLU HA 1.0 1.8 4.20 1755 1270 A 89 GLU HA A 92 ARG H 1.0 1.8 4.64 1756 1271 A 93 PHE H A 89 GLU HA 1.0 1.8 5.00 1757 1272 A 90 TRP H A 89 GLU HBx 1.0 1.8 4.09 1758 1272 A 89 GLU HBy A 90 TRP H 1.0 1.8 4.09 1759 1273 A 90 TRP H A 89 GLU HGx 1.0 1.8 5.13 1760 1273 A 89 GLU HGy A 90 TRP H 1.0 1.8 5.13 1761 1274 A 89 GLU H A 89 GLU HBx 1.0 1.8 3.38 1762 1274 A 89 GLU HBy A 89 GLU H 1.0 1.8 3.38 1763 1275 A 89 GLU H A 89 GLU HGx 1.0 1.8 4.00 1764 1275 A 89 GLU HGy A 89 GLU H 1.0 1.8 4.00 1765 1276 A 89 GLU H A 90 TRP H 1.0 1.8 3.64 1766 1277 A 90 TRP HA A 93 PHE HBx 1.0 1.8 4.46 1767 1277 A 93 PHE HBy A 90 TRP HA 1.0 1.8 4.46 1768 1278 A 93 PHE H A 90 TRP HA 1.0 1.8 4.60 1769 1279 A 90 TRP HA A 94 MET H 1.0 1.8 4.80 1770 1280 A 91 ASP H A 90 TRP HBx 1.0 1.8 4.85 1771 1281 A 91 ASP H A 90 TRP HBy 1.0 1.8 4.85 1772 1282 A 90 TRP H A 90 TRP HBx 1.0 1.8 3.87 1773 1283 A 90 TRP H A 90 TRP HBy 1.0 1.8 3.87 1774 1284 A 90 TRP H A 91 ASP H 1.0 1.8 3.90 1775 1285 A 91 ASP HA A 94 MET HBx 1.0 1.8 4.75 1776 1285 A 91 ASP HA A 94 MET HBy 1.0 1.8 4.75 1777 1286 A 94 MET H A 91 ASP HA 1.0 1.8 4.80 1778 1287 A 91 ASP HA A 95 ARG H 1.0 1.8 5.00 1779 1288 A 92 ARG H A 91 ASP HBy 1.0 1.8 3.82 1780 1288 A 91 ASP HBx A 92 ARG H 1.0 1.8 3.82 1781 1289 A 91 ASP H A 91 ASP HBy 1.0 1.8 3.48 1782 1289 A 91 ASP HBx A 91 ASP H 1.0 1.8 3.48 1783 1290 A 91 ASP H A 92 ARG H 1.0 1.8 4.14 1784 1291 A 92 ARG HA A 92 ARG HDy 1.0 1.8 4.14 1785 1291 A 92 ARG HA A 92 ARG HDx 1.0 1.8 4.14 1786 1292 A 92 ARG HA A 95 ARG HBx 1.0 1.8 4.71 1787 1292 A 92 ARG HA A 95 ARG HBy 1.0 1.8 4.71 1788 1293 A 92 ARG HA A 95 ARG H 1.0 1.8 4.60 1789 1294 A 92 ARG HA A 96 PHE H 1.0 1.8 4.80 1790 1295 A 93 PHE H A 92 ARG HBy 1.0 1.8 3.79 1791 1295 A 92 ARG HBx A 93 PHE H 1.0 1.8 3.79 1792 1296 A 92 ARG H A 92 ARG HBy 1.0 1.8 3.54 1793 1296 A 92 ARG HBx A 92 ARG H 1.0 1.8 3.54 1794 1297 A 92 ARG H A 92 ARG HGy 1.0 1.8 5.03 1795 1297 A 92 ARG HGx A 92 ARG H 1.0 1.8 5.03 1796 1298 A 93 PHE H A 92 ARG H 1.0 1.8 4.60 1797 1299 A 93 PHE HD% A 93 PHE HA 1.0 1.8 4.46 1798 1300 A 93 PHE HA A 96 PHE HBx 1.0 1.8 5.28 1799 1300 A 93 PHE HA A 96 PHE HBy 1.0 1.8 5.28 1800 1301 A 93 PHE HA A 96 PHE H 1.0 1.8 4.81 1801 1302 A 93 PHE HA A 97 MET H 1.0 1.8 5.00 1802 1303 A 94 MET H A 93 PHE HBx 1.0 1.8 4.48 1803 1303 A 93 PHE HBy A 94 MET H 1.0 1.8 4.48 1804 1304 A 93 PHE HD% A 94 MET H 1.0 1.8 5.22 1805 1305 A 93 PHE H A 93 PHE HBx 1.0 1.8 3.50 1806 1305 A 93 PHE H A 93 PHE HBy 1.0 1.8 3.50 1807 1306 A 93 PHE HD% A 93 PHE H 1.0 1.8 4.72 1808 1307 A 93 PHE H A 94 MET H 1.0 1.8 4.21 1809 1308 A 94 MET HA A 94 MET HE% 1.0 1.8 4.81 1810 1309 A 94 MET HA A 97 MET HBy 1.0 1.8 4.14 1811 1309 A 94 MET HA A 97 MET HBx 1.0 1.8 4.14 1812 1310 A 97 MET H A 94 MET HA 1.0 1.8 4.49 1813 1311 A 94 MET HA A 98 GLU H 1.0 1.8 5.20 1814 1312 A 95 ARG H A 94 MET HBx 1.0 1.8 4.71 1815 1313 A 94 MET HBy A 95 ARG H 1.0 1.8 4.71 1816 1314 A 94 MET H A 94 MET HBx 1.0 1.8 3.83 1817 1314 A 94 MET H A 94 MET HBy 1.0 1.8 3.83 1818 1315 A 94 MET H A 94 MET HGy 1.0 1.8 4.30 1819 1315 A 94 MET H A 94 MET HGx 1.0 1.8 4.30 1820 1316 A 94 MET H A 95 ARG H 1.0 1.8 4.38 1821 1317 A 95 ARG HA A 98 GLU HBy 1.0 1.8 5.00 1822 1317 A 95 ARG HA A 98 GLU HBx 1.0 1.8 5.00 1823 1318 A 95 ARG HA A 98 GLU HGx 1.0 1.8 5.12 1824 1318 A 95 ARG HA A 98 GLU HGy 1.0 1.8 5.12 1825 1319 A 98 GLU H A 95 ARG HA 1.0 1.8 4.80 1826 1320 A 95 ARG HA A 99 ARG H 1.0 1.8 5.00 1827 1321 A 96 PHE H A 95 ARG HBx 1.0 1.8 4.65 1828 1322 A 95 ARG HBy A 96 PHE H 1.0 1.8 4.65 1829 1323 A 95 ARG H A 95 ARG HBx 1.0 1.8 3.54 1830 1323 A 95 ARG H A 95 ARG HBy 1.0 1.8 3.54 1831 1324 A 95 ARG H A 96 PHE H 1.0 1.8 4.21 1832 1325 A 96 PHE HA A 96 PHE HD% 1.0 1.8 4.71 1833 1326 A 96 PHE HA A 99 ARG HBy 1.0 1.8 4.47 1834 1326 A 96 PHE HA A 99 ARG HBx 1.0 1.8 4.47 1835 1327 A 96 PHE HA A 99 ARG H 1.0 1.8 4.80 1836 1328 A 96 PHE HA A 100 TYR H 1.0 1.8 5.05 1837 1329 A 97 MET H A 96 PHE HBx 1.0 1.8 4.55 1838 1329 A 96 PHE HBy A 97 MET H 1.0 1.8 4.55 1839 1330 A 97 MET H A 96 PHE HD% 1.0 1.8 5.18 1840 1331 A 96 PHE H A 96 PHE HBx 1.0 1.8 4.13 1841 1332 A 96 PHE HBy A 96 PHE H 1.0 1.8 4.13 1842 1333 A 96 PHE H A 96 PHE HD% 1.0 1.8 4.77 1843 1334 A 96 PHE H A 97 MET H 1.0 1.8 4.21 1844 1335 A 97 MET HE% A 97 MET HA 1.0 1.8 4.89 1845 1336 A 97 MET HA A 100 TYR HBy 1.0 1.8 4.23 1846 1336 A 100 TYR HBx A 97 MET HA 1.0 1.8 4.23 1847 1337 A 100 TYR H A 97 MET HA 1.0 1.8 4.74 1848 1338 A 97 MET HA A 101 GLY H 1.0 1.8 4.80 1849 1339 A 98 GLU H A 97 MET HBy 1.0 1.8 4.14 1850 1339 A 97 MET HBx A 98 GLU H 1.0 1.8 4.14 1851 1340 A 97 MET HE% A 97 MET HGy 1.0 1.8 3.53 1852 1340 A 97 MET HE% A 97 MET HGx 1.0 1.8 3.53 1853 1341 A 97 MET H A 97 MET HBy 1.0 1.8 3.60 1854 1341 A 97 MET H A 97 MET HBx 1.0 1.8 3.60 1855 1342 A 97 MET HGx A 97 MET H 1.0 1.8 5.10 1856 1343 A 97 MET H A 97 MET HGy 1.0 1.8 5.10 1857 1344 A 97 MET H A 98 GLU H 1.0 1.8 4.60 1858 1345 A 98 GLU HA A 98 GLU HGx 1.0 1.8 4.41 1859 1346 A 98 GLU HGy A 98 GLU HA 1.0 1.8 4.41 1860 1347 A 101 GLY H A 98 GLU HA 1.0 1.8 4.80 1861 1348 A 98 GLU HA A 102 ALA H 1.0 1.8 5.00 1862 1349 A 98 GLU HBx A 98 GLU HGx 1.0 1.8 2.48 1863 1349 A 98 GLU HBy A 98 GLU HGx 1.0 1.8 2.48 1864 1349 A 98 GLU HGy A 98 GLU HBy 1.0 1.8 2.48 1865 1349 A 98 GLU HBx A 98 GLU HGy 1.0 1.8 2.48 1866 1350 A 98 GLU HBx A 99 ARG H 1.0 1.8 4.46 1867 1351 A 99 ARG H A 98 GLU HBy 1.0 1.8 4.46 1868 1352 A 98 GLU H A 98 GLU HBy 1.0 1.8 3.65 1869 1352 A 98 GLU H A 98 GLU HBx 1.0 1.8 3.65 1870 1353 A 98 GLU H A 98 GLU HGx 1.0 1.8 4.30 1871 1353 A 98 GLU H A 98 GLU HGy 1.0 1.8 4.30 1872 1354 A 98 GLU H A 99 ARG H 1.0 1.8 4.21 1873 1355 A 99 ARG HA A 99 ARG HDx 1.0 1.8 4.70 1874 1356 A 99 ARG HA A 99 ARG HDy 1.0 1.8 4.70 1875 1357 A 99 ARG HA A 102 ALA HB% 1.0 1.8 3.84 1876 1358 A 102 ALA H A 99 ARG HA 1.0 1.8 4.80 1877 1359 A 99 ARG HA A 103 GLU H 1.0 1.8 5.00 1878 1360 A 99 ARG HBy A 99 ARG HDx 1.0 1.8 3.49 1879 1360 A 99 ARG HBx A 99 ARG HDx 1.0 1.8 3.49 1880 1360 A 99 ARG HDy A 99 ARG HBy 1.0 1.8 3.49 1881 1360 A 99 ARG HBx A 99 ARG HDy 1.0 1.8 3.49 1882 1361 A 100 TYR H A 99 ARG HBy 1.0 1.8 4.32 1883 1361 A 100 TYR H A 99 ARG HBx 1.0 1.8 4.32 1884 1362 A 100 TYR H A 99 ARG HGx 1.0 1.8 4.88 1885 1362 A 100 TYR H A 99 ARG HGy 1.0 1.8 4.88 1886 1363 A 99 ARG H A 99 ARG HBy 1.0 1.8 3.83 1887 1363 A 99 ARG H A 99 ARG HBx 1.0 1.8 3.83 1888 1364 A 99 ARG H A 99 ARG HGx 1.0 1.8 4.70 1889 1364 A 99 ARG H A 99 ARG HGy 1.0 1.8 4.70 1890 1365 A 100 TYR H A 99 ARG H 1.0 1.8 4.09 1891 1366 A 100 TYR HA A 100 TYR HD% 1.0 1.8 4.37 1892 1367 A 100 TYR HA A 103 GLU HBx 1.0 1.8 4.70 1893 1367 A 100 TYR HA A 103 GLU HBy 1.0 1.8 4.70 1894 1368 A 100 TYR HA A 103 GLU H 1.0 1.8 4.80 1895 1369 A 101 GLY H A 100 TYR HBy 1.0 1.8 4.32 1896 1369 A 100 TYR HBx A 101 GLY H 1.0 1.8 4.32 1897 1370 A 100 TYR HD% A 101 GLY H 1.0 1.8 5.28 1898 1371 A 100 TYR HD% A 106 LEU HD1% 1.0 1.8 4.80 1899 1372 A 100 TYR HE% A 106 LEU HD1% 1.0 1.8 4.32 1900 1373 A 100 TYR H A 100 TYR HBy 1.0 1.8 3.44 1901 1373 A 100 TYR HBx A 100 TYR H 1.0 1.8 3.44 1902 1374 A 100 TYR HD% A 100 TYR H 1.0 1.8 5.09 1903 1375 A 100 TYR H A 101 GLY H 1.0 1.8 4.60 1904 1376 A 104 ASN H A 101 GLY HAy 1.0 1.8 5.02 1905 1376 A 101 GLY HAx A 104 ASN H 1.0 1.8 5.02 1906 1377 A 106 LEU HD1% A 101 GLY HAy 1.0 1.8 4.40 1907 1377 A 106 LEU HD1% A 101 GLY HAx 1.0 1.8 4.40 1908 1378 A 106 LEU H A 101 GLY HAy 1.0 1.8 4.60 1909 1378 A 101 GLY HAx A 106 LEU H 1.0 1.8 4.60 1910 1379 A 101 GLY H A 102 ALA H 1.0 1.8 4.47 1911 1380 A 102 ALA HB% A 103 GLU HGy 1.0 1.8 4.09 1912 1380 A 102 ALA HB% A 103 GLU HGx 1.0 1.8 4.09 1913 1381 A 102 ALA HB% A 103 GLU H 1.0 1.8 3.40 1914 1382 A 102 ALA H A 102 ALA HB% 1.0 1.8 3.32 1915 1383 A 102 ALA H A 103 GLU H 1.0 1.8 4.60 1916 1384 A 103 GLU HA A 103 GLU HGy 1.0 1.8 3.73 1917 1384 A 103 GLU HGx A 103 GLU HA 1.0 1.8 3.73 1918 1385 A 104 ASN HD21 A 103 GLU HBx 1.0 1.8 5.03 1919 1385 A 104 ASN HD22 A 103 GLU HBx 1.0 1.8 5.03 1920 1385 A 103 GLU HBy A 104 ASN HD21 1.0 1.8 5.03 1921 1385 A 103 GLU HBy A 104 ASN HD22 1.0 1.8 5.03 1922 1386 A 104 ASN H A 103 GLU HBx 1.0 1.8 4.39 1923 1386 A 103 GLU HBy A 104 ASN H 1.0 1.8 4.39 1924 1387 A 103 GLU H A 103 GLU HBx 1.0 1.8 3.63 1925 1387 A 103 GLU H A 103 GLU HBy 1.0 1.8 3.63 1926 1388 A 103 GLU H A 103 GLU HGy 1.0 1.8 3.60 1927 1388 A 103 GLU H A 103 GLU HGx 1.0 1.8 3.60 1928 1389 A 103 GLU H A 104 ASN H 1.0 1.8 3.69 1929 1390 A 106 LEU HD1% A 104 ASN HBy 1.0 1.8 4.57 1930 1390 A 104 ASN HBx A 106 LEU HD1% 1.0 1.8 4.57 1931 1391 A 104 ASN H A 104 ASN HBy 1.0 1.8 3.67 1932 1391 A 104 ASN HBx A 104 ASN H 1.0 1.8 3.67 1933 1392 A 104 ASN H A 104 ASN HD21 1.0 1.8 4.41 1934 1392 A 104 ASN H A 104 ASN HD22 1.0 1.8 4.41 1935 1393 A 104 ASN H A 104 ASN HD21 1.0 1.8 5.03 1936 1394 A 104 ASN H A 104 ASN HD22 1.0 1.8 5.03 1937 1395 A 104 ASN H A 105 GLY H 1.0 1.8 4.30 1938 1396 A 106 LEU H A 105 GLY H 1.0 1.8 4.40 1939 1397 A 106 LEU HD1% A 106 LEU HA 1.0 1.8 4.40 1940 1398 A 106 LEU HA A 106 LEU HD2% 1.0 1.8 4.20 1941 1399 A 106 LEU HA A 107 GLY H 1.0 1.8 3.89 1942 1400 A 106 LEU HD1% A 106 LEU HBy 1.0 1.8 3.58 1943 1400 A 106 LEU HD1% A 106 LEU HBx 1.0 1.8 3.58 1944 1401 A 107 GLY H A 106 LEU HBy 1.0 1.8 4.15 1945 1401 A 107 GLY H A 106 LEU HBx 1.0 1.8 4.15 1946 1402 A 106 LEU H A 106 LEU HBy 1.0 1.8 3.51 1947 1402 A 106 LEU H A 106 LEU HBx 1.0 1.8 3.51 1948 1403 A 106 LEU HD1% A 106 LEU H 1.0 1.8 4.38 1949 1404 A 106 LEU H A 106 LEU HD2% 1.0 1.8 4.66 1950 1405 A 106 LEU H A 106 LEU HG 1.0 1.8 3.85 1951 1406 A 106 LEU H A 107 GLY H 1.0 1.8 4.60 1952 1407 A 107 GLY H A 108 PHE H 1.0 1.8 5.03 1953 1408 A 108 PHE HA A 108 PHE HD% 1.0 1.8 4.42 1954 1409 A 108 PHE HA A 113 LEU HD1% 1.0 1.8 5.06 1955 1410 A 113 LEU HD1% A 108 PHE HBy 1.0 1.8 4.11 1956 1410 A 113 LEU HD1% A 108 PHE HBx 1.0 1.8 4.11 1957 1411 A 113 LEU HD2% A 108 PHE HBy 1.0 1.8 4.44 1958 1411 A 108 PHE HBx A 113 LEU HD2% 1.0 1.8 4.44 1959 1412 A 113 LEU HG A 108 PHE HBy 1.0 1.8 5.00 1960 1412 A 108 PHE HBx A 113 LEU HG 1.0 1.8 5.00 1961 1413 A 108 PHE H A 108 PHE HBy 1.0 1.8 3.87 1962 1413 A 108 PHE H A 108 PHE HBx 1.0 1.8 3.87 1963 1414 A 108 PHE H A 108 PHE HD% 1.0 1.8 4.61 1964 1415 A 109 SER HA A 110 LYS H 1.0 1.8 3.83 1965 1416 A 110 LYS HA A 110 LYS HDx 1.0 1.8 4.31 1966 1416 A 110 LYS HA A 110 LYS HDy 1.0 1.8 4.31 1967 1417 A 110 LYS HA A 113 LEU HBy 1.0 1.8 4.70 1968 1417 A 110 LYS HA A 113 LEU HBx 1.0 1.8 4.70 1969 1418 A 113 LEU HD1% A 110 LYS HA 1.0 1.8 4.50 1970 1419 A 110 LYS HA A 114 GLU H 1.0 1.8 4.80 1971 1420 A 110 LYS HBx A 110 LYS HDx 1.0 1.8 3.12 1972 1420 A 110 LYS HBy A 110 LYS HDx 1.0 1.8 3.12 1973 1420 A 110 LYS HDy A 110 LYS HBx 1.0 1.8 3.12 1974 1420 A 110 LYS HDy A 110 LYS HBy 1.0 1.8 3.12 1975 1421 A 110 LYS HBy A 110 LYS HEx 1.0 1.8 5.09 1976 1421 A 110 LYS HEy A 110 LYS HBx 1.0 1.8 5.09 1977 1421 A 110 LYS HBy A 110 LYS HEy 1.0 1.8 5.09 1978 1421 A 110 LYS HBx A 110 LYS HEx 1.0 1.8 5.09 1979 1422 A 111 SER H A 110 LYS HBx 1.0 1.8 4.47 1980 1422 A 110 LYS HBy A 111 SER H 1.0 1.8 4.47 1981 1423 A 110 LYS HEx A 110 LYS HGx 1.0 1.8 3.61 1982 1423 A 110 LYS HEy A 110 LYS HGx 1.0 1.8 3.61 1983 1423 A 110 LYS HGy A 110 LYS HEx 1.0 1.8 3.61 1984 1423 A 110 LYS HEy A 110 LYS HGy 1.0 1.8 3.61 1985 1424 A 110 LYS H A 110 LYS HDx 1.0 1.8 5.09 1986 1424 A 110 LYS H A 110 LYS HDy 1.0 1.8 5.09 1987 1425 A 110 LYS H A 110 LYS HGx 1.0 1.8 4.62 1988 1425 A 110 LYS H A 110 LYS HGy 1.0 1.8 4.62 1989 1426 A 110 LYS H A 111 SER H 1.0 1.8 4.97 1990 1427 A 111 SER HA A 114 GLU HBx 1.0 1.8 4.80 1991 1427 A 111 SER HA A 114 GLU HBy 1.0 1.8 4.80 1992 1428 A 112 GLU H A 111 SER HBx 1.0 1.8 4.40 1993 1428 A 111 SER HBy A 112 GLU H 1.0 1.8 4.40 1994 1429 A 112 GLU HA A 112 GLU HGx 1.0 1.8 3.78 1995 1429 A 112 GLU HA A 112 GLU HGy 1.0 1.8 3.78 1996 1430 A 112 GLU HA A 113 LEU H 1.0 1.8 3.60 1997 1431 A 113 LEU HD2% A 112 GLU HBx 1.0 1.8 5.16 1998 1431 A 113 LEU HD2% A 112 GLU HBy 1.0 1.8 5.16 1999 1432 A 113 LEU H A 112 GLU HBx 1.0 1.8 4.33 2000 1432 A 113 LEU H A 112 GLU HBy 1.0 1.8 4.33 2001 1433 A 113 LEU H A 112 GLU HGx 1.0 1.8 4.92 2002 1433 A 112 GLU HGy A 113 LEU H 1.0 1.8 4.92 2003 1434 A 112 GLU H A 112 GLU HGx 1.0 1.8 4.59 2004 1434 A 112 GLU H A 112 GLU HGy 1.0 1.8 4.59 2005 1435 A 113 LEU HD2% A 113 LEU HA 1.0 1.8 3.40 2006 1436 A 113 LEU HG A 113 LEU HA 1.0 1.8 3.63 2007 1437 A 113 LEU HD2% A 113 LEU HBy 1.0 1.8 3.17 2008 1437 A 113 LEU HD2% A 113 LEU HBx 1.0 1.8 3.17 2009 1438 A 113 LEU HBy A 114 GLU HGx 1.0 1.8 4.74 2010 1438 A 113 LEU HBx A 114 GLU HGx 1.0 1.8 4.74 2011 1438 A 114 GLU HGy A 113 LEU HBy 1.0 1.8 4.74 2012 1438 A 113 LEU HBx A 114 GLU HGy 1.0 1.8 4.74 2013 1439 A 113 LEU HD1% A 113 LEU HBx 1.0 1.8 3.18 2014 1440 A 113 LEU HBx A 114 GLU H 1.0 1.8 4.59 2015 1441 A 113 LEU HD1% A 113 LEU HBy 1.0 1.8 3.18 2016 1442 A 114 GLU H A 113 LEU HBy 1.0 1.8 4.59 2017 1443 A 113 LEU HD1% A 114 GLU HGx 1.0 1.8 5.02 2018 1443 A 113 LEU HD1% A 114 GLU HGy 1.0 1.8 5.02 2019 1444 A 113 LEU HBx A 113 LEU H 1.0 1.8 4.07 2020 1445 A 113 LEU H A 113 LEU HBy 1.0 1.8 4.07 2021 1446 A 113 LEU HD1% A 113 LEU H 1.0 1.8 4.33 2022 1447 A 113 LEU HD2% A 113 LEU H 1.0 1.8 4.60 2023 1448 A 113 LEU HG A 113 LEU H 1.0 1.8 4.50 2024 1449 A 114 GLU HA A 114 GLU HGx 1.0 1.8 4.17 2025 1450 A 114 GLU HGy A 114 GLU HA 1.0 1.8 4.17 2026 1451 A 115 HIS H A 114 GLU HBx 1.0 1.8 4.10 2027 1451 A 114 GLU HBy A 115 HIS H 1.0 1.8 4.10 2028 1452 A 114 GLU H A 114 GLU HBx 1.0 1.8 3.50 2029 1452 A 114 GLU H A 114 GLU HBy 1.0 1.8 3.50 2030 1453 A 114 GLU H A 114 GLU HGx 1.0 1.8 3.98 2031 1453 A 114 GLU H A 114 GLU HGy 1.0 1.8 3.98 2032 1454 A 119 HIS HA A 120 HIS H 1.0 1.8 3.38 2033 1455 A 120 HIS H A 119 HIS HBx 1.0 1.8 4.13 2034 1455 A 120 HIS H A 119 HIS HBy 1.0 1.8 4.13 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 17 GLU H A 34 TYR O 1.0 1.7 2.3 2 2 A 34 TYR O A 17 GLU N 1.0 2.7 3.3 3 3 A 34 TYR H A 17 GLU O 1.0 1.7 2.3 4 4 A 17 GLU O A 34 TYR N 1.0 2.7 3.3 5 5 A 19 ARG H A 32 LYS O 1.0 1.7 2.3 6 6 A 32 LYS O A 19 ARG N 1.0 2.7 3.3 7 7 A 32 LYS H A 19 ARG O 1.0 1.7 2.3 8 8 A 19 ARG O A 32 LYS N 1.0 2.7 3.3 9 9 A 21 SER H A 30 MET O 1.0 1.7 2.3 10 10 A 30 MET O A 21 SER N 1.0 2.7 3.3 11 11 A 31 ALA H A 82 VAL O 1.0 1.7 2.3 12 12 A 82 VAL O A 31 ALA N 1.0 2.7 3.3 13 13 A 82 VAL H A 31 ALA O 1.0 1.7 2.3 14 14 A 31 ALA O A 82 VAL N 1.0 2.7 3.3 15 15 A 33 PHE H A 80 ALA O 1.0 1.7 2.3 16 16 A 80 ALA O A 33 PHE N 1.0 2.7 3.3 17 17 A 80 ALA H A 33 PHE O 1.0 1.7 2.3 18 18 A 33 PHE O A 80 ALA N 1.0 2.7 3.3 19 19 A 35 PHE H A 78 ILE O 1.0 1.7 2.3 20 20 A 78 ILE O A 35 PHE N 1.0 2.7 3.3 21 21 A 78 ILE H A 35 PHE O 1.0 1.7 2.3 22 22 A 35 PHE O A 78 ILE N 1.0 2.7 3.3 23 23 A 67 LYS H A 79 GLU O 1.0 1.7 2.3 24 24 A 79 GLU O A 67 LYS N 1.0 2.7 3.3 25 25 A 79 GLU H A 67 LYS O 1.0 1.7 2.3 26 26 A 67 LYS O A 79 GLU N 1.0 2.7 3.3 27 27 A 69 LYS H A 77 ALA O 1.0 1.7 2.3 28 28 A 77 ALA O A 69 LYS N 1.0 2.7 3.3 29 29 A 77 ALA H A 69 LYS O 1.0 1.7 2.3 30 30 A 69 LYS O A 77 ALA N 1.0 2.7 3.3 31 31 A 61 ILE H A 54 LEU O 1.0 1.7 2.3 32 32 A 54 LEU O A 61 ILE N 1.0 2.7 3.3 33 33 A 54 LEU H A 61 ILE O 1.0 1.7 2.3 34 34 A 61 ILE O A 54 LEU N 1.0 2.7 3.3 35 35 A 63 THR H A 52 MET O 1.0 1.7 2.3 36 36 A 52 MET O A 63 THR N 1.0 2.7 3.3 37 37 A 55 ILE H A 3 GLU O 1.0 1.7 2.3 38 38 A 3 GLU O A 55 ILE N 1.0 2.7 3.3 39 39 A 5 GLN H A 53 TYR O 1.0 1.7 2.3 40 40 A 53 TYR O A 5 GLN N 1.0 2.7 3.3 41 41 A 93 PHE H A 89 GLU O 1.0 1.7 2.3 42 42 A 89 GLU O A 93 PHE N 1.0 2.7 3.3 43 43 A 94 MET H A 90 TRP O 1.0 1.7 2.3 44 44 A 90 TRP O A 94 MET N 1.0 2.7 3.3 45 45 A 95 ARG H A 91 ASP O 1.0 1.7 2.3 46 46 A 91 ASP O A 95 ARG N 1.0 2.7 3.3 47 47 A 96 PHE H A 92 ARG O 1.0 1.7 2.3 48 48 A 92 ARG O A 96 PHE N 1.0 2.7 3.3 49 49 A 97 MET H A 93 PHE O 1.0 1.7 2.3 50 50 A 93 PHE O A 97 MET N 1.0 2.7 3.3 51 51 A 98 GLU H A 94 MET O 1.0 1.7 2.3 52 52 A 94 MET O A 98 GLU N 1.0 2.7 3.3 53 53 A 99 ARG H A 95 ARG O 1.0 1.7 2.3 54 54 A 95 ARG O A 99 ARG N 1.0 2.7 3.3 55 55 A 100 TYR N A 96 PHE O 1.0 2.7 3.3 56 56 A 100 TYR H A 96 PHE O 1.0 1.7 2.3 57 57 A 101 GLY N A 97 MET O 1.0 2.7 3.3 58 58 A 101 GLY H A 97 MET O 1.0 1.7 2.3 59 59 A 102 ALA N A 98 GLU O 1.0 2.7 3.3 60 60 A 102 ALA H A 98 GLU O 1.0 1.7 2.3 61 61 A 103 GLU N A 99 ARG O 1.0 2.7 3.3 62 62 A 103 GLU H A 99 ARG O 1.0 1.7 2.3 63 63 A 104 ASN N A 100 TYR O 1.0 2.7 3.3 64 64 A 104 ASN H A 100 TYR O 1.0 1.7 2.3 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 2 ALA C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -155.2 -115.2 PHI 2 2 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ILE N 1.0 130.8 170.8 PSI 3 3 A 3 GLU C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -151.1 -101.7 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 GLN N 1.0 113.9 156.3 PSI 5 5 A 4 ILE C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -176.7 -88.1 PHI 6 6 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 PHE N 1.0 123.7 181.1 PSI 7 7 A 5 GLN C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -161.3 -43.3 PHI 8 8 A 16 PRO C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -165.2 -41.4 PHI 9 9 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 VAL N 1.0 80.2 198.6 PSI 10 10 A 17 GLU C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -134.9 -77.7 PHI 11 11 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ARG N 1.0 102.5 146.1 PSI 12 12 A 18 VAL C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -134.9 -80.5 PHI 13 13 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 LEU N 1.0 105.0 145.0 PSI 14 14 A 19 ARG C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -143.7 -95.7 PHI 15 15 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 SER N 1.0 108.4 164.2 PSI 16 16 A 20 LEU C A 21 SER N A 21 SER CA A 21 SER C 1.0 -176.8 -82.4 PHI 17 17 A 21 SER N A 21 SER CA A 21 SER C A 22 LYS N 1.0 132.3 174.5 PSI 18 18 A 21 SER C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -169.9 -56.5 PHI 19 19 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 SER N 1.0 87.7 179.1 PSI 20 20 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 MET N 1.0 139.3 197.1 PSI 21 21 A 29 GLY C A 30 MET N A 30 MET CA A 30 MET C 1.0 -166.9 -111.1 PHI 22 22 A 30 MET N A 30 MET CA A 30 MET C A 31 ALA N 1.0 106.0 184.8 PSI 23 23 A 30 MET C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -155.5 -108.1 PHI 24 24 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 LYS N 1.0 111.8 157.2 PSI 25 25 A 31 ALA C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -149.4 -79.4 PHI 26 26 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 PHE N 1.0 105.7 150.3 PSI 27 27 A 32 LYS C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -132.9 -92.9 PHI 28 28 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 TYR N 1.0 106.6 166.8 PSI 29 29 A 33 PHE C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -145.8 -86.6 PHI 30 30 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 PHE N 1.0 105.8 152.6 PSI 31 31 A 34 TYR C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -146.8 -81.2 PHI 32 32 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 LEU N 1.0 94.2 141.0 PSI 33 33 A 35 PHE C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -147.5 -47.9 PHI 34 34 A 52 MET C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -161.7 -74.1 PHI 35 35 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 LEU N 1.0 109.1 173.1 PSI 36 36 A 53 TYR C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -135.3 -60.1 PHI 37 37 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 ILE N 1.0 99.0 157.2 PSI 38 38 A 54 LEU C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -145.0 -90.2 PHI 39 39 A 59 GLY C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -152.5 -109.5 PHI 40 40 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ILE N 1.0 116.9 156.9 PSI 41 41 A 60 GLU C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -157.1 -94.9 PHI 42 42 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 ILE N 1.0 106.0 160.4 PSI 43 43 A 61 ILE C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -145.7 -91.9 PHI 44 44 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 THR N 1.0 111.2 160.0 PSI 45 45 A 62 ILE C A 63 THR N A 63 THR CA A 63 THR C 1.0 -194.8 -61.8 PHI 46 46 A 63 THR N A 63 THR CA A 63 THR C A 64 ARG N 1.0 120.9 180.9 PSI 47 47 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 LYS N 1.0 102.6 171.8 PSI 48 48 A 66 VAL C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -152.0 -73.2 PHI 49 49 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 GLY N 1.0 116.3 176.3 PSI 50 50 A 67 LYS C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 -186.5 -46.5 PHI 51 51 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 LYS N 1.0 95.6 213.8 PSI 52 52 A 68 GLY C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -149.6 -61.8 PHI 53 53 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 PHE N 1.0 86.7 159.9 PSI 54 54 A 69 LYS C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -151.5 -65.1 PHI 55 55 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 ILE N 1.0 109.0 153.6 PSI 56 56 A 70 PHE C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -161.6 -109.0 PHI 57 57 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 ASN N 1.0 106.6 146.6 PSI 58 58 A 86 SER N A 86 SER CA A 86 SER C A 87 GLN N 1.0 128.7 192.9 PSI 59 59 A 86 SER C A 87 GLN N A 87 GLN CA A 87 GLN C 1.0 -79.2 -39.2 PHI 60 60 A 87 GLN N A 87 GLN CA A 87 GLN C A 88 PRO N 1.0 -63.5 -23.5 PSI 61 61 A 87 GLN C A 88 PRO N A 88 PRO CA A 88 PRO C 1.0 -76.8 -36.8 PHI 62 62 A 88 PRO N A 88 PRO CA A 88 PRO C A 89 GLU N 1.0 -57.9 -17.9 PSI 63 63 A 88 PRO C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -87.4 -47.4 PHI 64 64 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 TRP N 1.0 -59.1 -19.1 PSI 65 65 A 89 GLU C A 90 TRP N A 90 TRP CA A 90 TRP C 1.0 -88.1 -48.1 PHI 66 66 A 90 TRP N A 90 TRP CA A 90 TRP C A 91 ASP N 1.0 -62.0 -22.0 PSI 67 67 A 90 TRP C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -85.2 -45.2 PHI 68 68 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 ARG N 1.0 -54.6 -14.6 PSI 69 69 A 91 ASP C A 92 ARG N A 92 ARG CA A 92 ARG C 1.0 -88.9 -47.9 PHI 70 70 A 92 ARG N A 92 ARG CA A 92 ARG C A 93 PHE N 1.0 -55.7 -15.7 PSI 71 71 A 92 ARG C A 93 PHE N A 93 PHE CA A 93 PHE C 1.0 -86.4 -46.4 PHI 72 72 A 93 PHE N A 93 PHE CA A 93 PHE C A 94 MET N 1.0 -64.9 -24.9 PSI 73 73 A 93 PHE C A 94 MET N A 94 MET CA A 94 MET C 1.0 -82.5 -42.5 PHI 74 74 A 94 MET N A 94 MET CA A 94 MET C A 95 ARG N 1.0 -60.5 -20.5 PSI 75 75 A 94 MET C A 95 ARG N A 95 ARG CA A 95 ARG C 1.0 -87.4 -47.4 PHI 76 76 A 95 ARG N A 95 ARG CA A 95 ARG C A 96 PHE N 1.0 -57.9 -17.9 PSI 77 77 A 95 ARG C A 96 PHE N A 96 PHE CA A 96 PHE C 1.0 -81.9 -41.9 PHI 78 78 A 96 PHE N A 96 PHE CA A 96 PHE C A 97 MET N 1.0 -63.9 -23.9 PSI 79 79 A 96 PHE C A 97 MET N A 97 MET CA A 97 MET C 1.0 -84.9 -44.9 PHI 80 80 A 97 MET N A 97 MET CA A 97 MET C A 98 GLU N 1.0 -58.7 -18.7 PSI 81 81 A 97 MET C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -84.1 -44.1 PHI 82 82 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 ARG N 1.0 -58.9 -18.9 PSI 83 83 A 98 GLU C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -89.2 -49.2 PHI 84 84 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 TYR N 1.0 -60.0 -20.0 PSI 85 85 A 99 ARG C A 100 TYR N A 100 TYR CA A 100 TYR C 1.0 -86.0 -46.0 PHI 86 86 A 100 TYR N A 100 TYR CA A 100 TYR C A 101 GLY N 1.0 -61.0 -21.0 PSI 87 87 A 100 TYR C A 101 GLY N A 101 GLY CA A 101 GLY C 1.0 -86.5 -46.5 PHI 88 88 A 101 GLY N A 101 GLY CA A 101 GLY C A 102 ALA N 1.0 -58.8 -18.8 PSI 89 89 A 101 GLY C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -83.2 -43.2 PHI 90 90 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 GLU N 1.0 -59.0 -19.0 PSI 91 91 A 102 ALA C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -89.0 -49.0 PHI 92 92 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 ASN N 1.0 -56.5 -10.1 PSI stop_ save_ save_Nnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy.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 2239.904 2 1H 9351.144 3 1H 12755.102 stop_ save_ save_Cnoesy_aliph.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph.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 4536.13 2 1H 10626.300 3 1H 15243.902 stop_ save_ save_Cnoesy_arom.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom.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 6413.526 2 1H 10201.248 3 1H 15243.902 stop_ save_ save_4D_ccnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy.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 3121.342 2 13C 3121.342 3 1H 4197.272 4 1H 8000 stop_ save_