data_nef_c15750_2k3d 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 12 ALA start . . 2 A 13 PHE middle . . 3 A 14 PHE middle . . 4 A 15 ASN middle . . 5 A 16 GLU middle . . 6 A 17 GLN middle . . 7 A 18 LYS middle . . 8 A 19 GLU middle . . 9 A 20 LYS middle . . 10 A 21 VAL middle . . 11 A 22 THR middle . . 12 A 23 LEU middle . . 13 A 24 TYR middle . . 14 A 25 LEU middle . . 15 A 26 LYS middle . . 16 A 27 HIS middle . . 17 A 28 ASN middle . . 18 A 29 ILE middle . . 19 A 30 PRO middle . false 20 A 31 ASP middle . . 21 A 32 PHE middle . . 22 A 33 ASN middle . . 23 A 34 THR middle . . 24 A 35 VAL middle . . 25 A 36 THR middle . . 26 A 37 PHE middle . . 27 A 38 THR middle . . 28 A 39 ASN middle . . 29 A 40 GLU middle . . 30 A 41 GLU middle . . 31 A 42 PHE middle . . 32 A 43 ASN middle . . 33 A 44 PRO middle . false 34 A 45 ILE middle . . 35 A 46 GLY middle . false 36 A 47 ILE middle . . 37 A 48 SER middle . . 38 A 49 ILE middle . . 39 A 50 ASP middle . . 40 A 51 GLY middle . false 41 A 52 TYR middle . . 42 A 53 ILE middle . . 43 A 54 ASN middle . . 44 A 55 ASN middle . . 45 A 56 ASP middle . . 46 A 57 LYS middle . . 47 A 58 ASN middle . . 48 A 59 LEU middle . . 49 A 60 SER middle . . 50 A 61 PHE middle . . 51 A 62 THR middle . . 52 A 63 ALA middle . . 53 A 64 GLY middle . false 54 A 65 LYS middle . . 55 A 66 ASP middle . . 56 A 67 VAL middle . . 57 A 68 LYS middle . . 58 A 69 ILE middle . . 59 A 70 PHE middle . . 60 A 71 SER middle . . 61 A 72 SER middle . . 62 A 73 SER middle . . 63 A 74 GLU middle . . 64 A 75 GLU middle . . 65 A 76 LEU middle . . 66 A 77 ASP middle . . 67 A 78 LYS middle . . 68 A 79 MET middle . . 69 A 80 PHE middle . . 70 A 81 GLN middle . . 71 A 82 GLU middle . . 72 A 83 PRO middle . false 73 A 84 ARG middle . . 74 A 85 LYS middle . . 75 A 86 GLY middle . false 76 A 87 TYR middle . . 77 A 88 ASP middle . . 78 A 89 GLU middle . . 79 A 90 ILE middle . . 80 A 91 LEU middle . . 81 A 92 GLU middle . . 82 A 93 HIS middle . . 83 A 94 HIS middle . . 84 A 95 HIS middle . . 85 A 96 HIS middle . . 86 A 97 HIS middle . . 87 A 98 HIS end . . stop_ save_ save_chemical_shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode chemical_shifts 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 13 PHE HA H 1 4.40 0.02 A 13 PHE HBx H 1 2.91 0.02 A 13 PHE HBy H 1 3.20 0.02 A 13 PHE HDx H 1 6.96 0.02 A 13 PHE HDy H 1 6.96 0.02 A 13 PHE HEx H 1 7.06 0.02 A 13 PHE HEy H 1 7.06 0.02 A 13 PHE HZ H 1 7.00 0.02 A 13 PHE C C 13 176.4 0.2 A 13 PHE CA C 13 60.7 0.2 A 13 PHE CB C 13 39.7 0.2 A 13 PHE CDx C 13 132.0 0.02 A 13 PHE CDy C 13 132.0 0.02 A 13 PHE CEx C 13 131.3 0.02 A 13 PHE CEy C 13 131.3 0.02 A 13 PHE CZ C 13 129.1 0.2 A 14 PHE H H 1 9.00 0.02 A 14 PHE HA H 1 4.00 0.02 A 14 PHE HBx H 1 2.91 0.02 A 14 PHE HBy H 1 2.98 0.02 A 14 PHE HDx H 1 7.04 0.02 A 14 PHE HDy H 1 7.04 0.02 A 14 PHE HEx H 1 7.10 0.02 A 14 PHE HEy H 1 7.10 0.02 A 14 PHE C C 13 177.4 0.2 A 14 PHE CA C 13 61.4 0.2 A 14 PHE CB C 13 38.4 0.2 A 14 PHE CDx C 13 133.2 0.02 A 14 PHE CDy C 13 133.2 0.02 A 14 PHE CEx C 13 131.3 0.02 A 14 PHE CEy C 13 131.3 0.02 A 14 PHE N N 15 118.7 0.2 A 15 ASN H H 1 8.00 0.02 A 15 ASN HA H 1 4.25 0.02 A 15 ASN HBx H 1 2.82 0.02 A 15 ASN HBy H 1 2.82 0.02 A 15 ASN HD21 H 1 7.78 0.02 A 15 ASN HD22 H 1 7.11 0.02 A 15 ASN C C 13 177.3 0.2 A 15 ASN CA C 13 56.4 0.2 A 15 ASN CB C 13 38.0 0.2 A 15 ASN CG C 13 176.3 0.2 A 15 ASN N N 15 118.3 0.2 A 15 ASN ND2 N 15 113.2 0.2 A 16 GLU H H 1 8.08 0.02 A 16 GLU HA H 1 3.97 0.02 A 16 GLU HBx H 1 1.95 0.02 A 16 GLU HBy H 1 2.13 0.02 A 16 GLU HGx H 1 2.18 0.02 A 16 GLU HGy H 1 2.34 0.02 A 16 GLU C C 13 179.6 0.2 A 16 GLU CA C 13 59.2 0.2 A 16 GLU CB C 13 29.4 0.2 A 16 GLU CG C 13 36.5 0.2 A 16 GLU N N 15 120.4 0.2 A 17 GLN H H 1 7.93 0.02 A 17 GLN HA H 1 3.56 0.02 A 17 GLN HBx H 1 1.70 0.02 A 17 GLN HBy H 1 2.05 0.02 A 17 GLN HE2x H 1 7.40 0.02 A 17 GLN HE2y H 1 7.40 0.02 A 17 GLN HGx H 1 1.50 0.02 A 17 GLN HGy H 1 1.87 0.02 A 17 GLN CA C 13 58.6 0.2 A 17 GLN CB C 13 28.1 0.2 A 17 GLN CD C 13 178.5 0.2 A 17 GLN CG C 13 33.7 0.2 A 17 GLN N N 15 117.9 0.2 A 17 GLN NE2 N 15 115.3 0.2 A 18 LYS H H 1 8.12 0.02 A 18 LYS HA H 1 3.35 0.02 A 18 LYS HBx H 1 1.25 0.02 A 18 LYS HBy H 1 1.53 0.02 A 18 LYS HDx H 1 1.17 0.02 A 18 LYS HDy H 1 1.17 0.02 A 18 LYS HEx H 1 2.28 0.02 A 18 LYS HEy H 1 2.52 0.02 A 18 LYS HGy H 1 1.03 0.02 A 18 LYS HGx H 1 -0.22 0.02 A 18 LYS C C 13 179.9 0.2 A 18 LYS CA C 13 60.6 0.2 A 18 LYS CB C 13 32.0 0.2 A 18 LYS CD C 13 29.7 0.2 A 18 LYS CE C 13 41.9 0.2 A 18 LYS CG C 13 26.5 0.2 A 18 LYS N N 15 118.8 0.2 A 19 GLU H H 1 7.74 0.02 A 19 GLU HA H 1 4.04 0.02 A 19 GLU HBx H 1 2.11 0.02 A 19 GLU HBy H 1 2.14 0.02 A 19 GLU HGx H 1 2.27 0.02 A 19 GLU HGy H 1 2.40 0.02 A 19 GLU C C 13 179.0 0.2 A 19 GLU CA C 13 59.8 0.2 A 19 GLU CB C 13 29.1 0.2 A 19 GLU CG C 13 36.0 0.2 A 19 GLU N N 15 121.3 0.2 A 20 LYS H H 1 7.50 0.02 A 20 LYS HA H 1 3.95 0.02 A 20 LYS HBx H 1 0.79 0.02 A 20 LYS HBy H 1 1.66 0.02 A 20 LYS HDx H 1 0.83 0.02 A 20 LYS HDy H 1 1.24 0.02 A 20 LYS HEx H 1 2.63 0.02 A 20 LYS HEy H 1 2.67 0.02 A 20 LYS HGx H 1 0.91 0.02 A 20 LYS HGy H 1 1.61 0.02 A 20 LYS C C 13 178.1 0.2 A 20 LYS CA C 13 60.5 0.2 A 20 LYS CB C 13 32.2 0.2 A 20 LYS CD C 13 30.3 0.2 A 20 LYS CE C 13 42.0 0.2 A 20 LYS CG C 13 25.4 0.2 A 20 LYS N N 15 120.1 0.2 A 21 VAL H H 1 8.03 0.02 A 21 VAL HA H 1 3.41 0.02 A 21 VAL HB H 1 2.26 0.02 A 21 VAL HG1% H 1 1.00 0.02 A 21 VAL HG2% H 1 1.07 0.02 A 21 VAL C C 13 177.4 0.2 A 21 VAL CA C 13 66.6 0.2 A 21 VAL CB C 13 31.8 0.2 A 21 VAL CG1 C 13 22.6 0.02 A 21 VAL CG2 C 13 24.6 0.02 A 21 VAL N N 15 117.3 0.2 A 22 THR H H 1 8.23 0.02 A 22 THR HA H 1 3.58 0.02 A 22 THR HB H 1 4.36 0.02 A 22 THR HG1 H 1 5.18 0.02 A 22 THR HG2% H 1 1.25 0.02 A 22 THR C C 13 174.7 0.2 A 22 THR CA C 13 68.7 0.2 A 22 THR CB C 13 68.5 0.2 A 22 THR CG2 C 13 20.9 0.2 A 22 THR N N 15 115.7 0.2 A 23 LEU H H 1 7.78 0.02 A 23 LEU HA H 1 3.93 0.02 A 23 LEU HBx H 1 1.84 0.02 A 23 LEU HBy H 1 1.84 0.02 A 23 LEU HD1% H 1 0.88 0.02 A 23 LEU HD2% H 1 0.79 0.02 A 23 LEU HG H 1 1.65 0.02 A 23 LEU C C 13 178.4 0.2 A 23 LEU CA C 13 58.5 0.2 A 23 LEU CB C 13 42.3 0.2 A 23 LEU CD1 C 13 24.6 0.02 A 23 LEU CD2 C 13 25.0 0.02 A 23 LEU CG C 13 27.0 0.2 A 23 LEU N N 15 121.4 0.2 A 24 TYR H H 1 7.97 0.02 A 24 TYR HA H 1 3.91 0.02 A 24 TYR HBx H 1 2.88 0.02 A 24 TYR HBy H 1 3.31 0.02 A 24 TYR HDx H 1 6.54 0.02 A 24 TYR HDy H 1 6.54 0.02 A 24 TYR HEx H 1 6.74 0.02 A 24 TYR HEy H 1 6.74 0.02 A 24 TYR C C 13 177.4 0.2 A 24 TYR CA C 13 61.7 0.2 A 24 TYR CB C 13 39.4 0.2 A 24 TYR CDx C 13 132.2 0.02 A 24 TYR CDy C 13 132.2 0.02 A 24 TYR CEx C 13 118.1 0.02 A 24 TYR CEy C 13 118.1 0.02 A 24 TYR N N 15 119.1 0.2 A 25 LEU H H 1 8.23 0.02 A 25 LEU HA H 1 3.40 0.02 A 25 LEU HBx H 1 0.70 0.02 A 25 LEU HBy H 1 1.39 0.02 A 25 LEU HD1% H 1 0.43 0.02 A 25 LEU HD2% H 1 0.54 0.02 A 25 LEU HG H 1 1.83 0.02 A 25 LEU C C 13 177.2 0.2 A 25 LEU CA C 13 57.6 0.2 A 25 LEU CB C 13 42.2 0.2 A 25 LEU CD1 C 13 27.3 0.02 A 25 LEU CD2 C 13 22.7 0.02 A 25 LEU CG C 13 26.0 0.2 A 25 LEU N N 15 119.6 0.2 A 26 LYS H H 1 8.01 0.02 A 26 LYS HA H 1 3.23 0.02 A 26 LYS HBx H 1 1.33 0.02 A 26 LYS HBy H 1 1.43 0.02 A 26 LYS HDx H 1 1.47 0.02 A 26 LYS HDy H 1 1.52 0.02 A 26 LYS HEx H 1 2.80 0.02 A 26 LYS HEy H 1 2.89 0.02 A 26 LYS HGx H 1 0.99 0.02 A 26 LYS HGy H 1 1.09 0.02 A 26 LYS C C 13 178.8 0.2 A 26 LYS CA C 13 59.0 0.2 A 26 LYS CB C 13 32.6 0.2 A 26 LYS CD C 13 29.7 0.2 A 26 LYS CE C 13 42.1 0.2 A 26 LYS CG C 13 24.9 0.2 A 26 LYS N N 15 117.0 0.2 A 27 HIS H H 1 7.89 0.02 A 27 HIS HA H 1 4.03 0.02 A 27 HIS HBx H 1 2.81 0.02 A 27 HIS HBy H 1 2.88 0.02 A 27 HIS HD2 H 1 6.76 0.02 A 27 HIS HE1 H 1 7.54 0.02 A 27 HIS C C 13 175.9 0.2 A 27 HIS CA C 13 59.0 0.2 A 27 HIS CB C 13 30.9 0.2 A 27 HIS CD2 C 13 120.9 0.2 A 27 HIS CE1 C 13 138.1 0.2 A 27 HIS N N 15 113.2 0.2 A 28 ASN H H 1 6.95 0.02 A 28 ASN HA H 1 4.90 0.02 A 28 ASN HBx H 1 2.19 0.02 A 28 ASN HBy H 1 2.76 0.02 A 28 ASN HD2y H 1 8.06 0.02 A 28 ASN HD2x H 1 6.15 0.02 A 28 ASN C C 13 172.9 0.2 A 28 ASN CA C 13 54.1 0.2 A 28 ASN CB C 13 42.5 0.2 A 28 ASN CG C 13 177.3 0.2 A 28 ASN N N 15 112.2 0.2 A 28 ASN ND2 N 15 118.3 0.2 A 29 ILE H H 1 7.31 0.02 A 29 ILE HA H 1 4.56 0.02 A 29 ILE HB H 1 1.86 0.02 A 29 ILE HD1% H 1 0.25 0.02 A 29 ILE HG1y H 1 0.62 0.02 A 29 ILE HG1x H 1 -0.25 0.02 A 29 ILE HG2% H 1 0.57 0.02 A 29 ILE CA C 13 58.0 0.2 A 29 ILE CB C 13 38.0 0.2 A 29 ILE CD1 C 13 15.6 0.2 A 29 ILE CG1 C 13 26.5 0.2 A 29 ILE CG2 C 13 16.9 0.2 A 29 ILE N N 15 119.3 0.2 A 30 PRO HA H 1 4.17 0.02 A 30 PRO HBx H 1 1.87 0.02 A 30 PRO HBy H 1 2.30 0.02 A 30 PRO HDx H 1 3.70 0.02 A 30 PRO HDy H 1 4.04 0.02 A 30 PRO HGx H 1 1.87 0.02 A 30 PRO HGy H 1 2.08 0.02 A 30 PRO C C 13 178.0 0.2 A 30 PRO CA C 13 65.7 0.2 A 30 PRO CB C 13 32.1 0.2 A 30 PRO CD C 13 50.7 0.2 A 30 PRO CG C 13 27.2 0.2 A 31 ASP H H 1 8.47 0.02 A 31 ASP HA H 1 4.79 0.02 A 31 ASP HBx H 1 2.33 0.02 A 31 ASP HBy H 1 2.78 0.02 A 31 ASP C C 13 175.6 0.2 A 31 ASP CA C 13 53.8 0.2 A 31 ASP CB C 13 39.6 0.2 A 31 ASP N N 15 113.7 0.2 A 32 PHE H H 1 7.89 0.02 A 32 PHE HA H 1 3.81 0.02 A 32 PHE HBx H 1 3.05 0.02 A 32 PHE HBy H 1 3.05 0.02 A 32 PHE HDx H 1 6.86 0.02 A 32 PHE HDy H 1 6.86 0.02 A 32 PHE HEx H 1 7.08 0.02 A 32 PHE HEy H 1 7.08 0.02 A 32 PHE HZ H 1 7.03 0.02 A 32 PHE C C 13 174.2 0.2 A 32 PHE CA C 13 61.1 0.2 A 32 PHE CB C 13 39.9 0.2 A 32 PHE CDx C 13 130.9 0.02 A 32 PHE CDy C 13 130.9 0.02 A 32 PHE CEx C 13 131.9 0.02 A 32 PHE CEy C 13 131.9 0.02 A 32 PHE CZ C 13 128.3 0.2 A 32 PHE N N 15 122.2 0.2 A 33 ASN H H 1 9.38 0.02 A 33 ASN HA H 1 4.68 0.02 A 33 ASN HBx H 1 2.47 0.02 A 33 ASN HBy H 1 2.47 0.02 A 33 ASN HD21 H 1 7.49 0.02 A 33 ASN HD22 H 1 6.81 0.02 A 33 ASN C C 13 173.6 0.2 A 33 ASN CA C 13 54.6 0.2 A 33 ASN CB C 13 41.7 0.2 A 33 ASN CG C 13 176.0 0.2 A 33 ASN N N 15 126.6 0.2 A 33 ASN ND2 N 15 113.9 0.2 A 34 THR H H 1 7.01 0.02 A 34 THR HA H 1 4.28 0.02 A 34 THR HB H 1 3.98 0.02 A 34 THR HG2% H 1 0.96 0.02 A 34 THR C C 13 171.1 0.2 A 34 THR CA C 13 60.3 0.2 A 34 THR CB C 13 71.1 0.2 A 34 THR CG2 C 13 20.0 0.2 A 34 THR N N 15 109.6 0.2 A 35 VAL H H 1 8.29 0.02 A 35 VAL HA H 1 4.85 0.02 A 35 VAL HB H 1 2.09 0.02 A 35 VAL HGx% H 1 1.04 0.02 A 35 VAL HGy% H 1 0.35 0.02 A 35 VAL C C 13 171.4 0.2 A 35 VAL CA C 13 59.3 0.2 A 35 VAL CB C 13 35.5 0.2 A 35 VAL CGx C 13 19.3 0.02 A 35 VAL CGy C 13 22.1 0.02 A 35 VAL N N 15 119.5 0.2 A 36 THR H H 1 8.20 0.02 A 36 THR HA H 1 4.15 0.02 A 36 THR HB H 1 2.27 0.02 A 36 THR HG2% H 1 0.89 0.02 A 36 THR C C 13 171.9 0.2 A 36 THR CA C 13 61.1 0.2 A 36 THR CB C 13 70.9 0.2 A 36 THR CG2 C 13 21.5 0.2 A 36 THR N N 15 125.2 0.2 A 37 PHE H H 1 8.90 0.02 A 37 PHE HA H 1 5.14 0.02 A 37 PHE HBx H 1 2.89 0.02 A 37 PHE HBy H 1 3.27 0.02 A 37 PHE HDx H 1 7.39 0.02 A 37 PHE HDy H 1 7.39 0.02 A 37 PHE HEx H 1 7.28 0.02 A 37 PHE HEy H 1 7.28 0.02 A 37 PHE HZ H 1 6.70 0.02 A 37 PHE C C 13 176.9 0.2 A 37 PHE CA C 13 58.1 0.2 A 37 PHE CB C 13 39.9 0.2 A 37 PHE CDx C 13 132.5 0.02 A 37 PHE CDy C 13 132.5 0.02 A 37 PHE CEx C 13 131.2 0.02 A 37 PHE CEy C 13 131.2 0.02 A 37 PHE CZ C 13 128.3 0.2 A 37 PHE N N 15 124.5 0.2 A 38 THR H H 1 9.09 0.02 A 38 THR HA H 1 4.43 0.02 A 38 THR HB H 1 4.34 0.02 A 38 THR HG2% H 1 1.18 0.02 A 38 THR C C 13 174.8 0.2 A 38 THR CA C 13 61.6 0.2 A 38 THR CB C 13 69.4 0.2 A 38 THR CG2 C 13 22.9 0.2 A 38 THR N N 15 114.0 0.2 A 39 ASN H H 1 7.88 0.02 A 39 ASN HA H 1 4.78 0.02 A 39 ASN HBx H 1 2.75 0.02 A 39 ASN HBy H 1 2.81 0.02 A 39 ASN HD21 H 1 7.64 0.02 A 39 ASN HD22 H 1 7.10 0.02 A 39 ASN C C 13 173.7 0.2 A 39 ASN CA C 13 54.1 0.2 A 39 ASN CB C 13 40.8 0.2 A 39 ASN CG C 13 176.8 0.2 A 39 ASN N N 15 118.9 0.2 A 39 ASN ND2 N 15 114.2 0.2 A 40 GLU H H 1 8.15 0.02 A 40 GLU HA H 1 4.56 0.02 A 40 GLU HBx H 1 1.33 0.02 A 40 GLU HBy H 1 1.53 0.02 A 40 GLU HGx H 1 1.80 0.02 A 40 GLU HGy H 1 1.91 0.02 A 40 GLU C C 13 174.8 0.2 A 40 GLU CA C 13 55.6 0.2 A 40 GLU CB C 13 30.5 0.2 A 40 GLU CG C 13 35.2 0.2 A 40 GLU N N 15 121.7 0.2 A 41 GLU H H 1 8.41 0.02 A 41 GLU HA H 1 4.41 0.02 A 41 GLU HBx H 1 1.85 0.02 A 41 GLU HBy H 1 1.97 0.02 A 41 GLU HGx H 1 2.05 0.02 A 41 GLU HGy H 1 2.05 0.02 A 41 GLU C C 13 175.1 0.2 A 41 GLU CA C 13 55.4 0.2 A 41 GLU CB C 13 32.2 0.2 A 41 GLU CG C 13 35.7 0.2 A 41 GLU N N 15 120.5 0.2 A 42 PHE H H 1 8.57 0.02 A 42 PHE HA H 1 4.82 0.02 A 42 PHE HBx H 1 2.93 0.02 A 42 PHE HBy H 1 3.12 0.02 A 42 PHE HDx H 1 7.25 0.02 A 42 PHE HDy H 1 7.25 0.02 A 42 PHE HEx H 1 7.03 0.02 A 42 PHE HEy H 1 7.03 0.02 A 42 PHE HZ H 1 7.19 0.02 A 42 PHE C C 13 174.8 0.2 A 42 PHE CA C 13 57.8 0.2 A 42 PHE CB C 13 40.2 0.2 A 42 PHE CDx C 13 132.0 0.02 A 42 PHE CDy C 13 132.0 0.02 A 42 PHE CEx C 13 129.8 0.02 A 42 PHE CEy C 13 129.8 0.02 A 42 PHE CZ C 13 131.4 0.2 A 42 PHE N N 15 120.7 0.2 A 43 ASN H H 1 8.35 0.02 A 43 ASN HA H 1 4.95 0.02 A 43 ASN HBx H 1 2.83 0.02 A 43 ASN HBy H 1 2.83 0.02 A 43 ASN HD21 H 1 7.65 0.02 A 43 ASN HD22 H 1 6.78 0.02 A 43 ASN CA C 13 51.6 0.2 A 43 ASN CB C 13 39.3 0.2 A 43 ASN CG C 13 176.5 0.2 A 43 ASN N N 15 122.0 0.2 A 43 ASN ND2 N 15 113.5 0.2 A 44 PRO HA H 1 4.26 0.02 A 44 PRO HBx H 1 1.84 0.02 A 44 PRO HBy H 1 2.33 0.02 A 44 PRO HDx H 1 3.69 0.02 A 44 PRO HDy H 1 3.75 0.02 A 44 PRO HGx H 1 1.94 0.02 A 44 PRO HGy H 1 2.04 0.02 A 44 PRO C C 13 177.4 0.2 A 44 PRO CA C 13 65.3 0.2 A 44 PRO CB C 13 32.2 0.2 A 44 PRO CD C 13 50.9 0.2 A 44 PRO CG C 13 27.8 0.2 A 45 ILE H H 1 7.84 0.02 A 45 ILE HA H 1 4.24 0.02 A 45 ILE HB H 1 1.95 0.02 A 45 ILE HD1% H 1 0.80 0.02 A 45 ILE HG1x H 1 1.10 0.02 A 45 ILE HG1y H 1 1.35 0.02 A 45 ILE HG2% H 1 0.85 0.02 A 45 ILE C C 13 176.4 0.2 A 45 ILE CA C 13 61.0 0.2 A 45 ILE CB C 13 38.6 0.2 A 45 ILE CD1 C 13 13.1 0.2 A 45 ILE CG1 C 13 27.3 0.2 A 45 ILE CG2 C 13 17.7 0.2 A 45 ILE N N 15 113.7 0.2 A 46 GLY H H 1 7.86 0.02 A 46 GLY HAx H 1 3.87 0.02 A 46 GLY HAy H 1 4.13 0.02 A 46 GLY C C 13 172.7 0.2 A 46 GLY CA C 13 45.9 0.2 A 46 GLY N N 15 111.9 0.2 A 47 ILE H H 1 8.18 0.02 A 47 ILE HA H 1 4.72 0.02 A 47 ILE HB H 1 1.91 0.02 A 47 ILE HD1% H 1 0.72 0.02 A 47 ILE HG1x H 1 0.98 0.02 A 47 ILE HG1y H 1 1.37 0.02 A 47 ILE HG2% H 1 0.84 0.02 A 47 ILE C C 13 174.9 0.2 A 47 ILE CA C 13 60.5 0.2 A 47 ILE CB C 13 40.8 0.2 A 47 ILE CD1 C 13 14.4 0.2 A 47 ILE CG1 C 13 26.9 0.2 A 47 ILE CG2 C 13 18.3 0.2 A 47 ILE N N 15 118.3 0.2 A 48 SER H H 1 8.43 0.02 A 48 SER HA H 1 4.99 0.02 A 48 SER HBx H 1 3.55 0.02 A 48 SER HBy H 1 3.65 0.02 A 48 SER C C 13 172.9 0.2 A 48 SER CA C 13 57.8 0.2 A 48 SER CB C 13 65.6 0.2 A 48 SER N N 15 116.7 0.2 A 49 ILE H H 1 9.15 0.02 A 49 ILE HA H 1 4.72 0.02 A 49 ILE HB H 1 1.87 0.02 A 49 ILE HD1% H 1 0.67 0.02 A 49 ILE HG1x H 1 1.06 0.02 A 49 ILE HG1y H 1 1.54 0.02 A 49 ILE HG2% H 1 1.03 0.02 A 49 ILE C C 13 173.9 0.2 A 49 ILE CA C 13 60.6 0.2 A 49 ILE CB C 13 41.0 0.2 A 49 ILE CD1 C 13 14.4 0.2 A 49 ILE CG1 C 13 27.8 0.2 A 49 ILE CG2 C 13 19.4 0.2 A 49 ILE N N 15 124.3 0.2 A 50 ASP H H 1 8.70 0.02 A 50 ASP HA H 1 5.54 0.02 A 50 ASP HBx H 1 2.49 0.02 A 50 ASP HBy H 1 2.62 0.02 A 50 ASP C C 13 176.2 0.2 A 50 ASP CA C 13 52.3 0.2 A 50 ASP CB C 13 44.3 0.2 A 50 ASP N N 15 126.6 0.2 A 51 GLY H H 1 7.10 0.02 A 51 GLY HAx H 1 3.78 0.02 A 51 GLY HAy H 1 4.07 0.02 A 51 GLY C C 13 170.1 0.2 A 51 GLY CA C 13 47.2 0.2 A 51 GLY N N 15 106.4 0.2 A 52 TYR H H 1 8.39 0.02 A 52 TYR HA H 1 5.53 0.02 A 52 TYR HBx H 1 2.61 0.02 A 52 TYR HBy H 1 3.01 0.02 A 52 TYR HDx H 1 6.60 0.02 A 52 TYR HDy H 1 6.60 0.02 A 52 TYR HEx H 1 6.38 0.02 A 52 TYR HEy H 1 6.38 0.02 A 52 TYR C C 13 175.2 0.2 A 52 TYR CA C 13 56.0 0.2 A 52 TYR CB C 13 39.2 0.2 A 52 TYR CDx C 13 134.3 0.02 A 52 TYR CDy C 13 134.3 0.02 A 52 TYR CEx C 13 117.1 0.02 A 52 TYR CEy C 13 117.1 0.02 A 52 TYR N N 15 113.9 0.2 A 53 ILE H H 1 8.42 0.02 A 53 ILE HA H 1 5.45 0.02 A 53 ILE HB H 1 2.40 0.02 A 53 ILE HD1% H 1 0.95 0.02 A 53 ILE HG1x H 1 1.36 0.02 A 53 ILE HG1y H 1 1.48 0.02 A 53 ILE HG2% H 1 1.20 0.02 A 53 ILE C C 13 174.5 0.2 A 53 ILE CA C 13 59.3 0.2 A 53 ILE CB C 13 40.7 0.2 A 53 ILE CD1 C 13 15.7 0.2 A 53 ILE CG1 C 13 27.3 0.2 A 53 ILE CG2 C 13 19.5 0.2 A 53 ILE N N 15 113.2 0.2 A 54 ASN H H 1 8.76 0.02 A 54 ASN HA H 1 4.12 0.02 A 54 ASN HBx H 1 2.74 0.02 A 54 ASN HBy H 1 3.17 0.02 A 54 ASN HD21 H 1 7.90 0.02 A 54 ASN HD22 H 1 7.04 0.02 A 54 ASN C C 13 173.9 0.2 A 54 ASN CA C 13 53.3 0.2 A 54 ASN CB C 13 35.5 0.2 A 54 ASN CG C 13 178.0 0.2 A 54 ASN N N 15 116.7 0.2 A 54 ASN ND2 N 15 108.5 0.2 A 55 ASN H H 1 9.27 0.02 A 55 ASN HA H 1 4.26 0.02 A 55 ASN HBx H 1 2.76 0.02 A 55 ASN HBy H 1 3.08 0.02 A 55 ASN HD21 H 1 7.58 0.02 A 55 ASN HD22 H 1 6.84 0.02 A 55 ASN C C 13 173.6 0.2 A 55 ASN CA C 13 54.8 0.2 A 55 ASN CB C 13 38.1 0.2 A 55 ASN CG C 13 178.6 0.2 A 55 ASN N N 15 110.3 0.2 A 55 ASN ND2 N 15 113.7 0.2 A 56 ASP H H 1 8.10 0.02 A 56 ASP HA H 1 4.76 0.02 A 56 ASP HBx H 1 2.27 0.02 A 56 ASP HBy H 1 3.08 0.02 A 56 ASP C C 13 175.9 0.2 A 56 ASP CA C 13 52.6 0.2 A 56 ASP CB C 13 42.0 0.2 A 56 ASP N N 15 119.5 0.2 A 57 LYS H H 1 8.26 0.02 A 57 LYS HA H 1 2.76 0.02 A 57 LYS HBx H 1 1.29 0.02 A 57 LYS HBy H 1 1.29 0.02 A 57 LYS HDx H 1 1.32 0.02 A 57 LYS HDy H 1 1.32 0.02 A 57 LYS HEx H 1 2.76 0.02 A 57 LYS HEy H 1 2.76 0.02 A 57 LYS HGx H 1 0.30 0.02 A 57 LYS HGy H 1 0.83 0.02 A 57 LYS C C 13 177.1 0.2 A 57 LYS CA C 13 58.4 0.2 A 57 LYS CB C 13 31.7 0.2 A 57 LYS CD C 13 29.2 0.2 A 57 LYS CE C 13 42.0 0.2 A 57 LYS CG C 13 25.1 0.2 A 57 LYS N N 15 124.1 0.2 A 58 ASN H H 1 8.61 0.02 A 58 ASN HA H 1 4.62 0.02 A 58 ASN HBx H 1 2.70 0.02 A 58 ASN HBy H 1 2.83 0.02 A 58 ASN HD2y H 1 8.16 0.02 A 58 ASN HD2x H 1 6.90 0.02 A 58 ASN C C 13 177.0 0.2 A 58 ASN CA C 13 54.4 0.2 A 58 ASN CB C 13 38.5 0.2 A 58 ASN CG C 13 177.1 0.2 A 58 ASN N N 15 114.8 0.2 A 58 ASN ND2 N 15 115.6 0.2 A 59 LEU H H 1 8.47 0.02 A 59 LEU HA H 1 4.47 0.02 A 59 LEU HBx H 1 1.41 0.02 A 59 LEU HBy H 1 2.80 0.02 A 59 LEU HD1% H 1 1.04 0.02 A 59 LEU HD2% H 1 0.67 0.02 A 59 LEU HG H 1 1.52 0.02 A 59 LEU C C 13 175.3 0.2 A 59 LEU CA C 13 52.8 0.2 A 59 LEU CB C 13 39.1 0.2 A 59 LEU CD1 C 13 25.8 0.02 A 59 LEU CD2 C 13 22.6 0.02 A 59 LEU CG C 13 26.3 0.2 A 59 LEU N N 15 125.8 0.2 A 60 SER H H 1 7.27 0.02 A 60 SER HA H 1 5.23 0.02 A 60 SER HBx H 1 3.84 0.02 A 60 SER HBy H 1 4.17 0.02 A 60 SER C C 13 173.2 0.2 A 60 SER CA C 13 56.9 0.2 A 60 SER CB C 13 66.5 0.2 A 60 SER N N 15 112.4 0.2 A 61 PHE H H 1 8.26 0.02 A 61 PHE HA H 1 5.49 0.02 A 61 PHE HBx H 1 2.67 0.02 A 61 PHE HBy H 1 2.84 0.02 A 61 PHE HDx H 1 6.90 0.02 A 61 PHE HDy H 1 6.90 0.02 A 61 PHE HEx H 1 6.89 0.02 A 61 PHE HEy H 1 6.89 0.02 A 61 PHE HZ H 1 7.08 0.02 A 61 PHE C C 13 174.5 0.2 A 61 PHE CA C 13 56.3 0.2 A 61 PHE CB C 13 44.6 0.2 A 61 PHE CDx C 13 132.6 0.02 A 61 PHE CDy C 13 132.6 0.02 A 61 PHE CEx C 13 130.4 0.02 A 61 PHE CEy C 13 130.4 0.02 A 61 PHE CZ C 13 130.7 0.2 A 61 PHE N N 15 114.2 0.2 A 62 THR H H 1 8.52 0.02 A 62 THR HA H 1 5.14 0.02 A 62 THR HB H 1 3.63 0.02 A 62 THR HG2% H 1 1.09 0.02 A 62 THR C C 13 172.6 0.2 A 62 THR CA C 13 62.0 0.2 A 62 THR CB C 13 72.0 0.2 A 62 THR CG2 C 13 21.2 0.2 A 62 THR N N 15 116.0 0.2 A 63 ALA H H 1 9.87 0.02 A 63 ALA HA H 1 5.18 0.02 A 63 ALA HB% H 1 1.67 0.02 A 63 ALA C C 13 176.3 0.2 A 63 ALA CA C 13 50.3 0.2 A 63 ALA CB C 13 24.0 0.2 A 63 ALA N N 15 130.4 0.2 A 64 GLY H H 1 8.34 0.02 A 64 GLY HAx H 1 3.63 0.02 A 64 GLY HAy H 1 4.83 0.02 A 64 GLY C C 13 173.2 0.2 A 64 GLY CA C 13 43.2 0.2 A 64 GLY N N 15 107.1 0.2 A 65 LYS H H 1 8.43 0.02 A 65 LYS HA H 1 3.75 0.02 A 65 LYS HBx H 1 1.69 0.02 A 65 LYS HBy H 1 1.80 0.02 A 65 LYS HDx H 1 1.66 0.02 A 65 LYS HDy H 1 1.75 0.02 A 65 LYS HEx H 1 2.97 0.02 A 65 LYS HEy H 1 2.97 0.02 A 65 LYS HGx H 1 1.22 0.02 A 65 LYS HGy H 1 1.30 0.02 A 65 LYS CA C 13 58.3 0.2 A 65 LYS CB C 13 32.6 0.2 A 65 LYS CD C 13 29.6 0.2 A 65 LYS CE C 13 42.1 0.2 A 65 LYS CG C 13 25.4 0.2 A 65 LYS N N 15 119.3 0.2 A 66 ASP HBx H 1 3.08 0.02 A 66 ASP HBy H 1 3.08 0.02 A 66 ASP C C 13 172.9 0.2 A 67 VAL H H 1 8.51 0.02 A 67 VAL HA H 1 3.10 0.02 A 67 VAL HB H 1 2.06 0.02 A 67 VAL HG1% H 1 0.35 0.02 A 67 VAL HG2% H 1 0.36 0.02 A 67 VAL C C 13 176.4 0.2 A 67 VAL CA C 13 62.8 0.2 A 67 VAL CB C 13 30.4 0.2 A 67 VAL CG1 C 13 25.8 0.02 A 67 VAL CG2 C 13 21.9 0.02 A 67 VAL N N 15 112.7 0.2 A 68 LYS H H 1 7.58 0.02 A 68 LYS HA H 1 4.00 0.02 A 68 LYS HBx H 1 1.88 0.02 A 68 LYS HBy H 1 1.88 0.02 A 68 LYS HDx H 1 1.72 0.02 A 68 LYS HDy H 1 1.72 0.02 A 68 LYS HEx H 1 3.04 0.02 A 68 LYS HEy H 1 3.04 0.02 A 68 LYS HGx H 1 1.44 0.02 A 68 LYS HGy H 1 1.54 0.02 A 68 LYS C C 13 176.7 0.2 A 68 LYS CA C 13 58.4 0.2 A 68 LYS CB C 13 32.1 0.2 A 68 LYS CD C 13 28.8 0.2 A 68 LYS CE C 13 42.3 0.2 A 68 LYS CG C 13 25.8 0.2 A 68 LYS N N 15 118.7 0.2 A 69 ILE H H 1 7.16 0.02 A 69 ILE HA H 1 4.27 0.02 A 69 ILE HB H 1 1.57 0.02 A 69 ILE HD1% H 1 0.85 0.02 A 69 ILE HG1x H 1 1.09 0.02 A 69 ILE HG1y H 1 1.44 0.02 A 69 ILE HG2% H 1 0.86 0.02 A 69 ILE C C 13 174.3 0.2 A 69 ILE CA C 13 59.9 0.2 A 69 ILE CB C 13 41.0 0.2 A 69 ILE CD1 C 13 13.4 0.2 A 69 ILE CG1 C 13 27.3 0.2 A 69 ILE CG2 C 13 17.5 0.2 A 69 ILE N N 15 115.7 0.2 A 70 PHE H H 1 8.56 0.02 A 70 PHE HA H 1 4.89 0.02 A 70 PHE HBx H 1 2.59 0.02 A 70 PHE HBy H 1 2.86 0.02 A 70 PHE HDx H 1 7.01 0.02 A 70 PHE HDy H 1 7.01 0.02 A 70 PHE C C 13 173.5 0.2 A 70 PHE CA C 13 58.7 0.2 A 70 PHE CB C 13 42.4 0.2 A 70 PHE CDx C 13 132.1 0.02 A 70 PHE CDy C 13 132.1 0.02 A 70 PHE N N 15 127.5 0.2 A 71 SER H H 1 8.43 0.02 A 71 SER HA H 1 4.85 0.02 A 71 SER HBx H 1 3.71 0.02 A 71 SER HBy H 1 3.74 0.02 A 71 SER C C 13 172.1 0.2 A 71 SER CA C 13 56.9 0.2 A 71 SER CB C 13 65.0 0.2 A 71 SER N N 15 124.2 0.2 A 72 SER H H 1 8.63 0.02 A 72 SER HA H 1 5.38 0.02 A 72 SER HBx H 1 4.07 0.02 A 72 SER HBy H 1 4.39 0.02 A 72 SER C C 13 174.7 0.2 A 72 SER CA C 13 57.4 0.2 A 72 SER CB C 13 68.2 0.2 A 72 SER N N 15 116.9 0.2 A 73 SER H H 1 8.81 0.02 A 73 SER HA H 1 4.57 0.02 A 73 SER HBx H 1 4.32 0.02 A 73 SER HBy H 1 4.68 0.02 A 73 SER HG H 1 5.34 0.02 A 73 SER C C 13 175.0 0.2 A 73 SER CA C 13 57.6 0.2 A 73 SER CB C 13 65.4 0.2 A 73 SER N N 15 117.0 0.2 A 74 GLU H H 1 9.24 0.02 A 74 GLU HA H 1 4.14 0.02 A 74 GLU HBx H 1 2.05 0.02 A 74 GLU HBy H 1 2.13 0.02 A 74 GLU HGx H 1 2.32 0.02 A 74 GLU HGy H 1 2.43 0.02 A 74 GLU C C 13 179.0 0.2 A 74 GLU CA C 13 60.1 0.2 A 74 GLU CB C 13 29.6 0.2 A 74 GLU CG C 13 36.6 0.2 A 74 GLU N N 15 123.6 0.2 A 75 GLU H H 1 8.97 0.02 A 75 GLU HA H 1 3.95 0.02 A 75 GLU HBx H 1 1.85 0.02 A 75 GLU HBy H 1 1.92 0.02 A 75 GLU HGx H 1 2.30 0.02 A 75 GLU HGy H 1 2.40 0.02 A 75 GLU C C 13 179.0 0.2 A 75 GLU CA C 13 60.1 0.2 A 75 GLU CB C 13 29.5 0.2 A 75 GLU CG C 13 37.2 0.2 A 75 GLU N N 15 117.0 0.2 A 76 LEU H H 1 7.74 0.02 A 76 LEU HA H 1 4.33 0.02 A 76 LEU HBx H 1 1.28 0.02 A 76 LEU HBy H 1 2.32 0.02 A 76 LEU HD1% H 1 1.16 0.02 A 76 LEU HD2% H 1 1.28 0.02 A 76 LEU HG H 1 1.98 0.02 A 76 LEU C C 13 178.9 0.2 A 76 LEU CA C 13 57.5 0.2 A 76 LEU CB C 13 41.8 0.2 A 76 LEU CD1 C 13 25.8 0.02 A 76 LEU CD2 C 13 27.3 0.02 A 76 LEU CG C 13 27.6 0.2 A 76 LEU N N 15 119.9 0.2 A 77 ASP H H 1 8.62 0.02 A 77 ASP HA H 1 4.58 0.02 A 77 ASP HBx H 1 2.73 0.02 A 77 ASP HBy H 1 2.89 0.02 A 77 ASP C C 13 178.8 0.2 A 77 ASP CA C 13 58.3 0.2 A 77 ASP CB C 13 42.1 0.2 A 77 ASP N N 15 120.3 0.2 A 78 LYS H H 1 7.21 0.02 A 78 LYS HA H 1 4.24 0.02 A 78 LYS HBx H 1 1.88 0.02 A 78 LYS HBy H 1 2.02 0.02 A 78 LYS HDx H 1 1.72 0.02 A 78 LYS HDy H 1 1.72 0.02 A 78 LYS HEx H 1 2.98 0.02 A 78 LYS HEy H 1 2.98 0.02 A 78 LYS HGx H 1 1.62 0.02 A 78 LYS HGy H 1 1.72 0.02 A 78 LYS C C 13 177.4 0.2 A 78 LYS CA C 13 58.0 0.2 A 78 LYS CB C 13 33.0 0.2 A 78 LYS CD C 13 29.4 0.2 A 78 LYS CE C 13 42.3 0.2 A 78 LYS CG C 13 25.4 0.2 A 78 LYS N N 15 113.2 0.2 A 79 MET H H 1 8.21 0.02 A 79 MET HA H 1 4.27 0.02 A 79 MET HBx H 1 2.14 0.02 A 79 MET HBy H 1 2.44 0.02 A 79 MET HE% H 1 1.97 0.02 A 79 MET HGx H 1 2.55 0.02 A 79 MET HGy H 1 2.86 0.02 A 79 MET C C 13 176.8 0.2 A 79 MET CA C 13 56.8 0.2 A 79 MET CB C 13 33.9 0.2 A 79 MET CE C 13 16.0 0.2 A 79 MET CG C 13 32.0 0.2 A 79 MET N N 15 116.4 0.2 A 80 PHE H H 1 7.33 0.02 A 80 PHE HA H 1 4.30 0.02 A 80 PHE HBx H 1 2.72 0.02 A 80 PHE HBy H 1 3.18 0.02 A 80 PHE HDx H 1 7.28 0.02 A 80 PHE HDy H 1 7.28 0.02 A 80 PHE C C 13 176.9 0.2 A 80 PHE CA C 13 59.3 0.2 A 80 PHE CB C 13 40.6 0.2 A 80 PHE CDx C 13 132.2 0.02 A 80 PHE CDy C 13 132.2 0.02 A 80 PHE N N 15 118.1 0.2 A 81 GLN H H 1 8.54 0.02 A 81 GLN HA H 1 4.45 0.02 A 81 GLN HBx H 1 1.89 0.02 A 81 GLN HBy H 1 1.96 0.02 A 81 GLN HE21 H 1 7.61 0.02 A 81 GLN HE22 H 1 6.71 0.02 A 81 GLN HGx H 1 2.20 0.02 A 81 GLN HGy H 1 2.32 0.02 A 81 GLN C C 13 174.2 0.2 A 81 GLN CA C 13 55.0 0.2 A 81 GLN CB C 13 29.4 0.2 A 81 GLN CD C 13 180.2 0.2 A 81 GLN CG C 13 33.5 0.2 A 81 GLN N N 15 121.6 0.2 A 81 GLN NE2 N 15 112.1 0.2 A 82 GLU H H 1 8.34 0.02 A 82 GLU HA H 1 4.78 0.02 A 82 GLU HBx H 1 1.71 0.02 A 82 GLU HBy H 1 1.99 0.02 A 82 GLU HGx H 1 2.24 0.02 A 82 GLU HGy H 1 2.31 0.02 A 82 GLU CA C 13 53.1 0.2 A 82 GLU CB C 13 30.6 0.2 A 82 GLU CG C 13 34.8 0.2 A 82 GLU N N 15 122.9 0.2 A 83 PRO HA H 1 4.88 0.02 A 83 PRO HBx H 1 2.07 0.02 A 83 PRO HBy H 1 2.39 0.02 A 83 PRO HDx H 1 3.50 0.02 A 83 PRO HDy H 1 3.58 0.02 A 83 PRO HGx H 1 1.96 0.02 A 83 PRO HGy H 1 1.96 0.02 A 83 PRO C C 13 176.2 0.2 A 83 PRO CA C 13 62.1 0.2 A 83 PRO CB C 13 33.8 0.2 A 83 PRO CD C 13 50.2 0.2 A 83 PRO CG C 13 25.2 0.2 A 84 ARG H H 1 8.58 0.02 A 84 ARG HA H 1 4.39 0.02 A 84 ARG HBx H 1 1.65 0.02 A 84 ARG HBy H 1 1.75 0.02 A 84 ARG HDx H 1 2.54 0.02 A 84 ARG HDy H 1 2.92 0.02 A 84 ARG HE H 1 7.22 0.02 A 84 ARG HGx H 1 1.66 0.02 A 84 ARG HGy H 1 1.66 0.02 A 84 ARG C C 13 176.0 0.2 A 84 ARG CA C 13 56.0 0.2 A 84 ARG CB C 13 31.1 0.2 A 84 ARG CD C 13 43.6 0.2 A 84 ARG CG C 13 25.9 0.2 A 84 ARG CZ C 13 175.9 0.2 A 84 ARG N N 15 123.4 0.2 A 84 ARG NE N 15 83.3 0.2 A 85 LYS H H 1 9.08 0.02 A 85 LYS HA H 1 4.54 0.02 A 85 LYS HBx H 1 1.53 0.02 A 85 LYS HBy H 1 1.53 0.02 A 85 LYS HDx H 1 1.45 0.02 A 85 LYS HDy H 1 1.45 0.02 A 85 LYS HEx H 1 2.86 0.02 A 85 LYS HEy H 1 2.86 0.02 A 85 LYS HGx H 1 1.36 0.02 A 85 LYS HGy H 1 1.47 0.02 A 85 LYS C C 13 176.5 0.2 A 85 LYS CA C 13 55.0 0.2 A 85 LYS CB C 13 34.9 0.2 A 85 LYS CD C 13 29.2 0.2 A 85 LYS CE C 13 42.1 0.2 A 85 LYS CG C 13 24.8 0.2 A 85 LYS N N 15 123.3 0.2 A 86 GLY H H 1 8.87 0.02 A 86 GLY HAx H 1 3.93 0.02 A 86 GLY HAy H 1 4.35 0.02 A 86 GLY C C 13 174.0 0.2 A 86 GLY CA C 13 44.6 0.2 A 86 GLY N N 15 108.7 0.2 A 87 TYR H H 1 8.88 0.02 A 87 TYR HA H 1 3.93 0.02 A 87 TYR HBx H 1 2.80 0.02 A 87 TYR HBy H 1 2.88 0.02 A 87 TYR HDx H 1 6.96 0.02 A 87 TYR HDy H 1 6.96 0.02 A 87 TYR HEx H 1 6.74 0.02 A 87 TYR HEy H 1 6.74 0.02 A 87 TYR C C 13 175.8 0.2 A 87 TYR CA C 13 62.9 0.2 A 87 TYR CB C 13 38.7 0.2 A 87 TYR CDx C 13 133.0 0.02 A 87 TYR CDy C 13 133.0 0.02 A 87 TYR CEx C 13 118.1 0.02 A 87 TYR CEy C 13 118.1 0.02 A 87 TYR N N 15 120.4 0.2 A 88 ASP H H 1 8.45 0.02 A 88 ASP HA H 1 4.00 0.02 A 88 ASP HBx H 1 2.54 0.02 A 88 ASP HBy H 1 2.58 0.02 A 88 ASP C C 13 178.2 0.2 A 88 ASP CA C 13 57.0 0.2 A 88 ASP CB C 13 39.6 0.2 A 88 ASP N N 15 115.8 0.2 A 89 GLU H H 1 7.52 0.02 A 89 GLU HA H 1 4.02 0.02 A 89 GLU HBx H 1 1.96 0.02 A 89 GLU HBy H 1 2.13 0.02 A 89 GLU HGx H 1 2.19 0.02 A 89 GLU HGy H 1 2.25 0.02 A 89 GLU C C 13 178.5 0.2 A 89 GLU CA C 13 58.5 0.2 A 89 GLU CB C 13 30.1 0.2 A 89 GLU CG C 13 37.2 0.2 A 89 GLU N N 15 119.6 0.2 A 90 ILE H H 1 7.85 0.02 A 90 ILE HA H 1 3.30 0.02 A 90 ILE HB H 1 1.58 0.02 A 90 ILE HD1% H 1 0.33 0.02 A 90 ILE HG1y H 1 1.47 0.02 A 90 ILE HG1x H 1 0.16 0.02 A 90 ILE HG2% H 1 0.63 0.02 A 90 ILE C C 13 177.7 0.2 A 90 ILE CA C 13 64.6 0.2 A 90 ILE CB C 13 37.7 0.2 A 90 ILE CD1 C 13 17.0 0.2 A 90 ILE CG1 C 13 28.6 0.2 A 90 ILE CG2 C 13 15.1 0.2 A 90 ILE N N 15 121.7 0.2 A 91 LEU H H 1 7.71 0.02 A 91 LEU HA H 1 3.78 0.02 A 91 LEU HBx H 1 1.27 0.02 A 91 LEU HBy H 1 1.36 0.02 A 91 LEU HD1% H 1 0.66 0.02 A 91 LEU HD2% H 1 0.64 0.02 A 91 LEU HG H 1 1.27 0.02 A 91 LEU C C 13 178.6 0.2 A 91 LEU CA C 13 56.9 0.2 A 91 LEU CB C 13 41.6 0.2 A 91 LEU CD1 C 13 24.3 0.02 A 91 LEU CD2 C 13 23.4 0.02 A 91 LEU CG C 13 26.8 0.2 A 91 LEU N N 15 120.5 0.2 A 92 GLU H H 1 7.62 0.02 A 92 GLU HA H 1 3.96 0.02 A 92 GLU HBx H 1 1.84 0.02 A 92 GLU HBy H 1 1.91 0.02 A 92 GLU HGx H 1 2.06 0.02 A 92 GLU HGy H 1 2.18 0.02 A 92 GLU C C 13 177.4 0.2 A 92 GLU CA C 13 58.3 0.2 A 92 GLU CB C 13 29.7 0.2 A 92 GLU CG C 13 35.9 0.2 A 92 GLU N N 15 118.1 0.2 A 93 HIS H H 1 7.84 0.02 A 93 HIS HA H 1 4.44 0.02 A 93 HIS HBx H 1 2.97 0.02 A 93 HIS HBy H 1 3.05 0.02 A 93 HIS C C 13 175.6 0.2 A 93 HIS CA C 13 57.0 0.2 A 93 HIS CB C 13 29.8 0.2 A 93 HIS N N 15 116.9 0.2 A 94 HIS H H 1 8.08 0.02 A 94 HIS HA H 1 4.48 0.02 A 94 HIS HBx H 1 2.92 0.02 A 94 HIS HBy H 1 2.92 0.02 A 94 HIS CA C 13 56.7 0.2 A 94 HIS CB C 13 29.9 0.2 A 94 HIS N N 15 118.5 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 13 PHE HA A 13 PHE HD% 1.0 1.8 4.00 2 2 A 13 PHE HA A 16 GLU HBx 1.0 1.8 4.60 3 2 A 13 PHE HA A 16 GLU HBy 1.0 1.8 4.60 4 3 A 13 PHE HA A 16 GLU HGy 1.0 1.8 5.22 5 3 A 13 PHE HA A 16 GLU HGx 1.0 1.8 5.22 6 4 A 14 PHE HA A 17 GLN HBy 1.0 1.8 4.35 7 4 A 14 PHE HA A 17 GLN HBx 1.0 1.8 4.35 8 5 A 14 PHE HA A 18 LYS H 1.0 1.8 5.00 9 6 A 15 ASN H A 14 PHE HBx 1.0 1.8 4.28 10 6 A 14 PHE HBy A 15 ASN H 1.0 1.8 4.28 11 7 A 14 PHE HE% A 47 ILE HB 1.0 1.8 4.71 12 8 A 14 PHE HE% A 47 ILE HD1% 1.0 1.8 3.73 13 9 A 14 PHE HE% A 47 ILE HG2% 1.0 1.8 3.70 14 10 A 14 PHE H A 14 PHE HBx 1.0 1.8 3.55 15 10 A 14 PHE HBy A 14 PHE H 1.0 1.8 3.55 16 11 A 14 PHE HE% A 14 PHE H 1.0 1.8 5.26 17 12 A 15 ASN H A 14 PHE H 1.0 1.8 4.53 18 13 A 15 ASN HA A 18 LYS HBy 1.0 1.8 5.00 19 13 A 15 ASN HA A 18 LYS HBx 1.0 1.8 5.00 20 14 A 15 ASN HA A 18 LYS HDx 1.0 1.8 4.71 21 14 A 15 ASN HA A 18 LYS HDy 1.0 1.8 4.71 22 15 A 15 ASN HA A 18 LYS HEx 1.0 1.8 5.00 23 15 A 15 ASN HA A 18 LYS HEy 1.0 1.8 5.00 24 16 A 18 LYS H A 15 ASN HA 1.0 1.8 4.35 25 17 A 15 ASN HA A 19 GLU H 1.0 1.8 5.00 26 18 A 15 ASN HBx A 16 GLU HGy 1.0 1.8 4.51 27 18 A 15 ASN HBy A 16 GLU HGy 1.0 1.8 4.51 28 18 A 16 GLU HGx A 15 ASN HBx 1.0 1.8 4.51 29 18 A 16 GLU HGx A 15 ASN HBy 1.0 1.8 4.51 30 19 A 16 GLU H A 15 ASN HBx 1.0 1.8 3.91 31 19 A 15 ASN HBy A 16 GLU H 1.0 1.8 3.91 32 20 A 15 ASN H A 15 ASN HBx 1.0 1.8 3.56 33 20 A 15 ASN H A 15 ASN HBy 1.0 1.8 3.56 34 21 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.82 35 22 A 16 GLU HGx A 16 GLU HA 1.0 1.8 3.82 36 23 A 19 GLU H A 16 GLU HA 1.0 1.8 5.00 37 24 A 17 GLN H A 16 GLU HBx 1.0 1.8 3.90 38 24 A 16 GLU HBy A 17 GLN H 1.0 1.8 3.90 39 25 A 16 GLU HBy A 16 GLU H 1.0 1.8 3.92 40 26 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.92 41 27 A 16 GLU H A 16 GLU HGy 1.0 1.8 3.62 42 27 A 16 GLU HGx A 16 GLU H 1.0 1.8 3.62 43 28 A 16 GLU H A 17 GLN H 1.0 1.8 3.84 44 29 A 17 GLN HA A 20 LYS HDy 1.0 1.8 5.00 45 29 A 17 GLN HA A 20 LYS HDx 1.0 1.8 5.00 46 30 A 17 GLN HA A 20 LYS H 1.0 1.8 4.39 47 31 A 17 GLN HA A 21 VAL HG2% 1.0 1.8 5.15 48 32 A 18 LYS H A 17 GLN HBy 1.0 1.8 4.31 49 33 A 49 ILE HD1% A 17 GLN HBy 1.0 1.8 3.94 50 34 A 17 GLN HBx A 18 LYS H 1.0 1.8 4.31 51 35 A 17 GLN HBx A 49 ILE HD1% 1.0 1.8 3.94 52 36 A 17 GLN HE2y A 20 LYS HDy 1.0 1.8 5.34 53 36 A 17 GLN HE2x A 20 LYS HDy 1.0 1.8 5.34 54 36 A 20 LYS HDx A 17 GLN HE2y 1.0 1.8 5.34 55 36 A 20 LYS HDx A 17 GLN HE2x 1.0 1.8 5.34 56 37 A 47 ILE HD1% A 17 GLN HGy 1.0 1.8 5.01 57 38 A 47 ILE HD1% A 17 GLN HGx 1.0 1.8 5.01 58 39 A 17 GLN H A 17 GLN HBy 1.0 1.8 4.03 59 40 A 17 GLN HBx A 17 GLN H 1.0 1.8 4.03 60 41 A 18 LYS H A 17 GLN H 1.0 1.8 4.05 61 42 A 19 GLU H A 17 GLN H 1.0 1.8 5.00 62 43 A 18 LYS HA A 18 LYS HGx 1.0 1.8 3.77 63 44 A 18 LYS HA A 18 LYS HGy 1.0 1.8 3.77 64 45 A 18 LYS HA A 21 VAL HB 1.0 1.8 3.80 65 46 A 21 VAL HG2% A 18 LYS HA 1.0 1.8 4.40 66 47 A 18 LYS HA A 37 PHE HE% 1.0 1.8 4.26 67 48 A 49 ILE HD1% A 18 LYS HA 1.0 1.8 4.32 68 49 A 18 LYS HA A 49 ILE HG2% 1.0 1.8 4.50 69 50 A 19 GLU H A 18 LYS HBy 1.0 1.8 4.05 70 51 A 37 PHE HE% A 18 LYS HBy 1.0 1.8 5.18 71 52 A 18 LYS HBx A 19 GLU H 1.0 1.8 4.05 72 53 A 18 LYS HBx A 37 PHE HE% 1.0 1.8 5.18 73 54 A 18 LYS HBy A 18 LYS HEx 1.0 1.8 4.21 74 54 A 18 LYS HBx A 18 LYS HEx 1.0 1.8 4.21 75 54 A 18 LYS HEy A 18 LYS HBy 1.0 1.8 4.21 76 54 A 18 LYS HBx A 18 LYS HEy 1.0 1.8 4.21 77 55 A 19 GLU HA A 18 LYS HBy 1.0 1.8 4.78 78 55 A 18 LYS HBx A 19 GLU HA 1.0 1.8 4.78 79 56 A 37 PHE HD% A 18 LYS HDx 1.0 1.8 4.01 80 56 A 18 LYS HDy A 37 PHE HD% 1.0 1.8 4.01 81 57 A 18 LYS HEx A 18 LYS HGy 1.0 1.8 3.30 82 57 A 18 LYS HEy A 18 LYS HGy 1.0 1.8 3.30 83 57 A 18 LYS HGx A 18 LYS HEx 1.0 1.8 3.30 84 57 A 18 LYS HEy A 18 LYS HGx 1.0 1.8 3.30 85 58 A 37 PHE HE% A 18 LYS HGy 1.0 1.8 5.14 86 58 A 37 PHE HE% A 18 LYS HGx 1.0 1.8 5.14 87 59 A 49 ILE HD1% A 18 LYS HGy 1.0 1.8 4.22 88 59 A 49 ILE HD1% A 18 LYS HGx 1.0 1.8 4.22 89 60 A 49 ILE HG2% A 18 LYS HGy 1.0 1.8 5.00 90 60 A 49 ILE HG2% A 18 LYS HGx 1.0 1.8 5.00 91 61 A 18 LYS H A 18 LYS HBy 1.0 1.8 3.83 92 62 A 18 LYS H A 18 LYS HBx 1.0 1.8 3.83 93 63 A 18 LYS H A 18 LYS HDx 1.0 1.8 5.07 94 63 A 18 LYS H A 18 LYS HDy 1.0 1.8 5.07 95 64 A 18 LYS H A 19 GLU H 1.0 1.8 3.58 96 65 A 18 LYS H A 49 ILE HD1% 1.0 1.8 4.40 97 66 A 19 GLU HA A 19 GLU HGy 1.0 1.8 3.89 98 67 A 19 GLU HA A 19 GLU HGx 1.0 1.8 3.89 99 68 A 19 GLU HA A 22 THR HB 1.0 1.8 3.50 100 69 A 19 GLU HA A 22 THR HG1 1.0 1.8 4.35 101 70 A 19 GLU HA A 22 THR HG2% 1.0 1.8 4.35 102 71 A 19 GLU HA A 22 THR H 1.0 1.8 4.12 103 72 A 20 LYS H A 19 GLU HBy 1.0 1.8 4.67 104 73 A 20 LYS H A 19 GLU HBx 1.0 1.8 4.67 105 74 A 19 GLU H A 19 GLU HBy 1.0 1.8 4.11 106 75 A 19 GLU H A 19 GLU HBx 1.0 1.8 4.11 107 76 A 19 GLU H A 19 GLU HGy 1.0 1.8 4.11 108 76 A 19 GLU H A 19 GLU HGx 1.0 1.8 4.11 109 77 A 19 GLU H A 20 LYS H 1.0 1.8 3.59 110 78 A 20 LYS HA A 20 LYS HGy 1.0 1.8 4.12 111 79 A 20 LYS HA A 20 LYS HGx 1.0 1.8 4.12 112 80 A 20 LYS HA A 23 LEU HBx 1.0 1.8 5.00 113 80 A 20 LYS HA A 23 LEU HBy 1.0 1.8 5.00 114 81 A 20 LYS HA A 67 VAL HG2% 1.0 1.8 5.40 115 82 A 20 LYS HA A 87 TYR HD% 1.0 1.8 4.01 116 83 A 20 LYS HA A 87 TYR HE% 1.0 1.8 3.73 117 84 A 21 VAL H A 20 LYS HBy 1.0 1.8 5.18 118 85 A 67 VAL HG2% A 20 LYS HBy 1.0 1.8 4.61 119 86 A 21 VAL H A 20 LYS HBx 1.0 1.8 5.18 120 87 A 67 VAL HG2% A 20 LYS HBx 1.0 1.8 4.61 121 88 A 20 LYS HBx A 20 LYS HDy 1.0 1.8 3.55 122 88 A 20 LYS HDx A 20 LYS HBy 1.0 1.8 3.55 123 88 A 20 LYS HDx A 20 LYS HBx 1.0 1.8 3.55 124 88 A 20 LYS HBy A 20 LYS HDy 1.0 1.8 3.55 125 89 A 21 VAL HA A 20 LYS HBy 1.0 1.8 5.23 126 89 A 20 LYS HBx A 21 VAL HA 1.0 1.8 5.23 127 90 A 21 VAL HG2% A 20 LYS HBy 1.0 1.8 4.77 128 90 A 21 VAL HG2% A 20 LYS HBx 1.0 1.8 4.77 129 91 A 87 TYR HD% A 20 LYS HBy 1.0 1.8 4.89 130 91 A 87 TYR HD% A 20 LYS HBx 1.0 1.8 4.89 131 92 A 67 VAL HG2% A 20 LYS HDy 1.0 1.8 3.84 132 92 A 20 LYS HDx A 67 VAL HG2% 1.0 1.8 3.84 133 93 A 20 LYS HEy A 20 LYS HGx 1.0 1.8 3.18 134 93 A 20 LYS HEx A 20 LYS HGx 1.0 1.8 3.18 135 93 A 20 LYS HGy A 20 LYS HEx 1.0 1.8 3.18 136 93 A 20 LYS HGy A 20 LYS HEy 1.0 1.8 3.18 137 94 A 87 TYR HE% A 20 LYS HGx 1.0 1.8 4.78 138 94 A 87 TYR HE% A 20 LYS HGy 1.0 1.8 4.78 139 95 A 20 LYS H A 20 LYS HDy 1.0 1.8 4.93 140 96 A 20 LYS HDx A 20 LYS H 1.0 1.8 4.93 141 97 A 20 LYS H A 21 VAL HG2% 1.0 1.8 5.11 142 98 A 20 LYS H A 21 VAL H 1.0 1.8 3.69 143 99 A 21 VAL HA A 21 VAL HG1% 1.0 1.8 3.23 144 100 A 21 VAL HG2% A 21 VAL HA 1.0 1.8 3.25 145 101 A 21 VAL HA A 24 TYR HBy 1.0 1.8 4.21 146 101 A 21 VAL HA A 24 TYR HBx 1.0 1.8 4.21 147 102 A 21 VAL HA A 24 TYR H 1.0 1.8 4.12 148 103 A 21 VAL HA A 25 LEU HD1% 1.0 1.8 5.06 149 104 A 21 VAL HA A 63 ALA HB% 1.0 1.8 5.50 150 105 A 21 VAL HA A 67 VAL HG1% 1.0 1.8 4.52 151 106 A 67 VAL HG2% A 21 VAL HA 1.0 1.8 3.43 152 107 A 21 VAL HB A 22 THR H 1.0 1.8 3.57 153 108 A 21 VAL HB A 35 VAL HGy% 1.0 1.8 5.50 154 109 A 21 VAL HB A 37 PHE HE% 1.0 1.8 3.85 155 110 A 21 VAL HB A 49 ILE HG2% 1.0 1.8 5.50 156 111 A 21 VAL HB A 67 VAL HG2% 1.0 1.8 5.50 157 112 A 21 VAL HG1% A 22 THR HA 1.0 1.8 4.56 158 113 A 22 THR H A 21 VAL HG1% 1.0 1.8 3.89 159 114 A 21 VAL HG1% A 25 LEU HD1% 1.0 1.8 3.17 160 115 A 21 VAL HG1% A 25 LEU HD2% 1.0 1.8 4.33 161 116 A 21 VAL HG1% A 25 LEU HG 1.0 1.8 3.70 162 117 A 21 VAL HG1% A 25 LEU H 1.0 1.8 5.00 163 118 A 37 PHE HE% A 21 VAL HG1% 1.0 1.8 3.45 164 119 A 21 VAL HG1% A 37 PHE HZ 1.0 1.8 4.05 165 120 A 21 VAL HG1% A 63 ALA HB% 1.0 1.8 3.62 166 121 A 21 VAL HG2% A 22 THR H 1.0 1.8 4.62 167 122 A 21 VAL HG2% A 37 PHE HE% 1.0 1.8 4.44 168 123 A 21 VAL HG2% A 49 ILE HB 1.0 1.8 4.20 169 124 A 21 VAL HG2% A 63 ALA HB% 1.0 1.8 2.96 170 125 A 21 VAL HG2% A 67 VAL HG1% 1.0 1.8 4.39 171 126 A 21 VAL HG2% A 67 VAL HG2% 1.0 1.8 3.15 172 127 A 21 VAL HB A 21 VAL H 1.0 1.8 3.37 173 128 A 21 VAL H A 21 VAL HG1% 1.0 1.8 4.44 174 129 A 21 VAL HG2% A 21 VAL H 1.0 1.8 3.13 175 130 A 22 THR H A 21 VAL H 1.0 1.8 3.58 176 131 A 67 VAL HG2% A 21 VAL H 1.0 1.8 4.39 177 132 A 22 THR HG2% A 22 THR HA 1.0 1.8 3.23 178 133 A 22 THR HA A 25 LEU HBy 1.0 1.8 4.47 179 133 A 22 THR HA A 25 LEU HBx 1.0 1.8 4.47 180 134 A 25 LEU HD1% A 22 THR HA 1.0 1.8 3.82 181 135 A 22 THR HA A 25 LEU HG 1.0 1.8 5.24 182 136 A 22 THR HA A 25 LEU H 1.0 1.8 4.50 183 137 A 22 THR HA A 26 LYS H 1.0 1.8 5.00 184 138 A 22 THR HA A 35 VAL HGx% 1.0 1.8 4.35 185 139 A 22 THR HB A 23 LEU H 1.0 1.8 3.53 186 140 A 22 THR HG1 A 23 LEU H 1.0 1.8 4.67 187 141 A 22 THR HG1 A 22 THR HG2% 1.0 1.8 4.04 188 142 A 22 THR HG2% A 23 LEU HA 1.0 1.8 4.43 189 143 A 22 THR HG2% A 23 LEU H 1.0 1.8 4.00 190 144 A 22 THR HG2% A 25 LEU HD1% 1.0 1.8 4.40 191 145 A 22 THR HG2% A 26 LYS HEx 1.0 1.8 5.30 192 145 A 22 THR HG2% A 26 LYS HEy 1.0 1.8 5.30 193 146 A 22 THR HG2% A 26 LYS H 1.0 1.8 5.00 194 147 A 22 THR HG2% A 32 PHE HE% 1.0 1.8 3.54 195 148 A 22 THR HG2% A 32 PHE HZ 1.0 1.8 3.92 196 149 A 22 THR HG2% A 35 VAL HGx% 1.0 1.8 3.47 197 150 A 37 PHE HE% A 22 THR HG2% 1.0 1.8 4.85 198 151 A 22 THR HB A 22 THR H 1.0 1.8 3.45 199 152 A 22 THR HG1 A 22 THR H 1.0 1.8 3.52 200 153 A 22 THR HG2% A 22 THR H 1.0 1.8 4.10 201 154 A 22 THR H A 23 LEU HBx 1.0 1.8 4.65 202 154 A 22 THR H A 23 LEU HBy 1.0 1.8 4.65 203 155 A 22 THR H A 23 LEU H 1.0 1.8 3.55 204 156 A 22 THR H A 25 LEU HD1% 1.0 1.8 4.90 205 157 A 23 LEU HA A 23 LEU HD1% 1.0 1.8 3.22 206 158 A 23 LEU HA A 23 LEU HD2% 1.0 1.8 3.88 207 159 A 23 LEU HA A 23 LEU HG 1.0 1.8 4.03 208 160 A 23 LEU HA A 26 LYS HBy 1.0 1.8 4.62 209 160 A 23 LEU HA A 26 LYS HBx 1.0 1.8 4.62 210 161 A 23 LEU HA A 26 LYS HDx 1.0 1.8 4.38 211 161 A 23 LEU HA A 26 LYS HDy 1.0 1.8 4.38 212 162 A 26 LYS H A 23 LEU HA 1.0 1.8 4.58 213 163 A 23 LEU HA A 27 HIS HD2 1.0 1.8 4.58 214 164 A 23 LEU HD1% A 23 LEU HBx 1.0 1.8 3.23 215 164 A 23 LEU HBy A 23 LEU HD1% 1.0 1.8 3.23 216 165 A 23 LEU HD2% A 23 LEU HBx 1.0 1.8 3.21 217 165 A 23 LEU HBy A 23 LEU HD2% 1.0 1.8 3.21 218 166 A 24 TYR HA A 23 LEU HBx 1.0 1.8 4.80 219 166 A 23 LEU HBy A 24 TYR HA 1.0 1.8 4.80 220 167 A 24 TYR H A 23 LEU HBx 1.0 1.8 3.60 221 167 A 23 LEU HBy A 24 TYR H 1.0 1.8 3.60 222 168 A 87 TYR HD% A 23 LEU HBx 1.0 1.8 4.89 223 168 A 23 LEU HBy A 87 TYR HD% 1.0 1.8 4.89 224 169 A 87 TYR HE% A 23 LEU HBx 1.0 1.8 3.90 225 169 A 23 LEU HBy A 87 TYR HE% 1.0 1.8 3.90 226 170 A 90 ILE HD1% A 23 LEU HBx 1.0 1.8 4.40 227 170 A 23 LEU HBy A 90 ILE HD1% 1.0 1.8 4.40 228 171 A 24 TYR H A 23 LEU HD1% 1.0 1.8 5.25 229 172 A 23 LEU HD1% A 26 LYS HDx 1.0 1.8 5.00 230 172 A 23 LEU HD1% A 26 LYS HDy 1.0 1.8 5.00 231 173 A 23 LEU HD1% A 27 HIS HD2 1.0 1.8 4.21 232 174 A 87 TYR HE% A 23 LEU HD1% 1.0 1.8 4.73 233 175 A 24 TYR H A 23 LEU HD2% 1.0 1.8 4.74 234 176 A 23 LEU HD2% A 27 HIS HBx 1.0 1.8 5.50 235 176 A 23 LEU HD2% A 27 HIS HBy 1.0 1.8 5.50 236 177 A 87 TYR HD% A 23 LEU HD2% 1.0 1.8 4.29 237 178 A 87 TYR HE% A 23 LEU HD2% 1.0 1.8 3.53 238 179 A 23 LEU HD2% A 90 ILE HB 1.0 1.8 5.12 239 180 A 23 LEU HD2% A 90 ILE HD1% 1.0 1.8 4.00 240 181 A 23 LEU HD2% A 91 LEU HA 1.0 1.8 4.50 241 182 A 23 LEU HG A 27 HIS HD2 1.0 1.8 4.37 242 183 A 87 TYR HE% A 23 LEU HG 1.0 1.8 5.25 243 184 A 23 LEU HG A 90 ILE HD1% 1.0 1.8 3.85 244 185 A 23 LEU H A 23 LEU HBx 1.0 1.8 2.99 245 185 A 23 LEU HBy A 23 LEU H 1.0 1.8 2.99 246 186 A 23 LEU H A 23 LEU HD1% 1.0 1.8 4.17 247 187 A 23 LEU H A 23 LEU HD2% 1.0 1.8 4.53 248 188 A 23 LEU H A 23 LEU HG 1.0 1.8 4.57 249 189 A 24 TYR H A 23 LEU H 1.0 1.8 3.91 250 190 A 24 TYR HA A 24 TYR HD% 1.0 1.8 4.08 251 191 A 24 TYR HA A 27 HIS H 1.0 1.8 5.00 252 192 A 24 TYR HA A 28 ASN HD2y 1.0 1.8 5.00 253 192 A 24 TYR HA A 28 ASN HD2x 1.0 1.8 5.00 254 193 A 24 TYR HA A 28 ASN H 1.0 1.8 5.00 255 194 A 87 TYR HD% A 24 TYR HA 1.0 1.8 5.50 256 195 A 24 TYR HA A 90 ILE HD1% 1.0 1.8 4.51 257 196 A 24 TYR HA A 90 ILE HG2% 1.0 1.8 4.00 258 197 A 25 LEU H A 24 TYR HBy 1.0 1.8 4.28 259 198 A 67 VAL HG1% A 24 TYR HBy 1.0 1.8 4.59 260 199 A 24 TYR HBx A 25 LEU H 1.0 1.8 4.28 261 200 A 24 TYR HBx A 67 VAL HG1% 1.0 1.8 4.59 262 201 A 25 LEU H A 24 TYR HBy 1.0 1.8 3.60 263 201 A 24 TYR HBx A 25 LEU H 1.0 1.8 3.60 264 202 A 67 VAL HB A 24 TYR HBy 1.0 1.8 5.34 265 202 A 24 TYR HBx A 67 VAL HB 1.0 1.8 5.34 266 203 A 67 VAL HG1% A 24 TYR HBy 1.0 1.8 3.85 267 203 A 24 TYR HBx A 67 VAL HG1% 1.0 1.8 3.85 268 204 A 67 VAL HG2% A 24 TYR HBy 1.0 1.8 3.78 269 204 A 67 VAL HG2% A 24 TYR HBx 1.0 1.8 3.78 270 205 A 24 TYR HD% A 25 LEU HA 1.0 1.8 4.76 271 206 A 25 LEU HD2% A 24 TYR HD% 1.0 1.8 4.10 272 207 A 25 LEU HG A 24 TYR HD% 1.0 1.8 4.46 273 208 A 25 LEU H A 24 TYR HD% 1.0 1.8 4.42 274 209 A 67 VAL HG1% A 24 TYR HD% 1.0 1.8 4.35 275 210 A 24 TYR HD% A 86 GLY HAx 1.0 1.8 5.00 276 210 A 24 TYR HD% A 86 GLY HAy 1.0 1.8 5.00 277 211 A 24 TYR HD% A 87 TYR HA 1.0 1.8 4.82 278 212 A 24 TYR HD% A 87 TYR H 1.0 1.8 5.00 279 213 A 24 TYR HD% A 90 ILE HG2% 1.0 1.8 4.20 280 214 A 24 TYR H A 24 TYR HBy 1.0 1.8 3.46 281 215 A 24 TYR HBx A 24 TYR H 1.0 1.8 3.46 282 216 A 24 TYR H A 24 TYR HD% 1.0 1.8 4.60 283 217 A 24 TYR H A 25 LEU H 1.0 1.8 3.65 284 218 A 67 VAL HG2% A 24 TYR H 1.0 1.8 5.20 285 219 A 87 TYR HD% A 24 TYR H 1.0 1.8 4.78 286 220 A 24 TYR H A 90 ILE HD1% 1.0 1.8 5.44 287 221 A 25 LEU HD1% A 25 LEU HA 1.0 1.8 5.33 288 222 A 25 LEU HD2% A 25 LEU HA 1.0 1.8 3.15 289 223 A 25 LEU HG A 25 LEU HA 1.0 1.8 4.06 290 224 A 25 LEU HA A 28 ASN HBx 1.0 1.8 4.79 291 224 A 25 LEU HA A 28 ASN HBy 1.0 1.8 4.79 292 225 A 28 ASN H A 25 LEU HA 1.0 1.8 4.46 293 226 A 25 LEU HA A 29 ILE HD1% 1.0 1.8 3.84 294 227 A 25 LEU HA A 29 ILE H 1.0 1.8 5.00 295 228 A 25 LEU HD1% A 25 LEU HBy 1.0 1.8 3.70 296 229 A 25 LEU HD2% A 25 LEU HBy 1.0 1.8 3.98 297 230 A 26 LYS H A 25 LEU HBy 1.0 1.8 3.88 298 231 A 25 LEU HD1% A 25 LEU HBx 1.0 1.8 3.70 299 232 A 25 LEU HD2% A 25 LEU HBx 1.0 1.8 3.98 300 233 A 25 LEU HBx A 26 LYS H 1.0 1.8 3.88 301 234 A 29 ILE HB A 25 LEU HBy 1.0 1.8 5.33 302 234 A 25 LEU HBx A 29 ILE HB 1.0 1.8 5.33 303 235 A 29 ILE HD1% A 25 LEU HBy 1.0 1.8 4.38 304 235 A 25 LEU HBx A 29 ILE HD1% 1.0 1.8 4.38 305 236 A 32 PHE HD% A 25 LEU HBy 1.0 1.8 5.00 306 236 A 25 LEU HBx A 32 PHE HD% 1.0 1.8 5.00 307 237 A 32 PHE HE% A 25 LEU HBy 1.0 1.8 4.78 308 237 A 25 LEU HBx A 32 PHE HE% 1.0 1.8 4.78 309 238 A 25 LEU HD1% A 26 LYS H 1.0 1.8 4.90 310 239 A 25 LEU HD1% A 32 PHE HD% 1.0 1.8 4.93 311 240 A 25 LEU HD1% A 32 PHE HE% 1.0 1.8 3.94 312 241 A 25 LEU HD1% A 35 VAL HB 1.0 1.8 4.20 313 242 A 37 PHE HE% A 25 LEU HD1% 1.0 1.8 4.59 314 243 A 25 LEU HD1% A 37 PHE HZ 1.0 1.8 4.25 315 244 A 25 LEU HD1% A 53 ILE HG2% 1.0 1.8 4.00 316 245 A 25 LEU HD2% A 29 ILE HD1% 1.0 1.8 3.80 317 246 A 25 LEU HD2% A 53 ILE HD1% 1.0 1.8 4.79 318 247 A 25 LEU HD2% A 53 ILE HG2% 1.0 1.8 4.00 319 248 A 25 LEU HD2% A 76 LEU HD2% 1.0 1.8 4.54 320 249 A 25 LEU HG A 26 LYS H 1.0 1.8 5.25 321 250 A 25 LEU H A 25 LEU HBy 1.0 1.8 4.14 322 251 A 25 LEU H A 25 LEU HBx 1.0 1.8 4.14 323 252 A 25 LEU HD1% A 25 LEU H 1.0 1.8 3.95 324 253 A 25 LEU HD2% A 25 LEU H 1.0 1.8 4.03 325 254 A 25 LEU HG A 25 LEU H 1.0 1.8 3.27 326 255 A 25 LEU H A 26 LYS H 1.0 1.8 3.82 327 256 A 26 LYS HA A 26 LYS HGx 1.0 1.8 3.64 328 256 A 26 LYS HA A 26 LYS HGy 1.0 1.8 3.64 329 257 A 28 ASN H A 26 LYS HA 1.0 1.8 5.50 330 258 A 29 ILE H A 26 LYS HA 1.0 1.8 4.67 331 259 A 26 LYS HA A 32 PHE HBx 1.0 1.8 3.67 332 259 A 26 LYS HA A 32 PHE HBy 1.0 1.8 3.67 333 260 A 32 PHE HD% A 26 LYS HA 1.0 1.8 4.00 334 261 A 27 HIS H A 26 LYS HBy 1.0 1.8 4.37 335 262 A 26 LYS HBx A 27 HIS H 1.0 1.8 4.37 336 263 A 26 LYS HBy A 26 LYS HEx 1.0 1.8 3.81 337 263 A 26 LYS HBx A 26 LYS HEx 1.0 1.8 3.81 338 263 A 26 LYS HEy A 26 LYS HBy 1.0 1.8 3.81 339 263 A 26 LYS HEy A 26 LYS HBx 1.0 1.8 3.81 340 264 A 27 HIS H A 26 LYS HBy 1.0 1.8 3.77 341 264 A 26 LYS HBx A 27 HIS H 1.0 1.8 3.77 342 265 A 32 PHE HD% A 26 LYS HBy 1.0 1.8 4.58 343 265 A 26 LYS HBx A 32 PHE HD% 1.0 1.8 4.58 344 266 A 26 LYS HEx A 26 LYS HGx 1.0 1.8 3.25 345 266 A 26 LYS HEy A 26 LYS HGx 1.0 1.8 3.25 346 266 A 26 LYS HGy A 26 LYS HEx 1.0 1.8 3.25 347 266 A 26 LYS HEy A 26 LYS HGy 1.0 1.8 3.25 348 267 A 26 LYS HGy A 32 PHE HBx 1.0 1.8 5.19 349 267 A 26 LYS HGx A 32 PHE HBx 1.0 1.8 5.19 350 267 A 32 PHE HBy A 26 LYS HGx 1.0 1.8 5.19 351 267 A 26 LYS HGy A 32 PHE HBy 1.0 1.8 5.19 352 268 A 32 PHE HD% A 26 LYS HGx 1.0 1.8 5.24 353 268 A 32 PHE HD% A 26 LYS HGy 1.0 1.8 5.24 354 269 A 32 PHE HE% A 26 LYS HGx 1.0 1.8 5.34 355 269 A 32 PHE HE% A 26 LYS HGy 1.0 1.8 5.34 356 270 A 26 LYS H A 26 LYS HBy 1.0 1.8 3.60 357 271 A 26 LYS H A 26 LYS HBx 1.0 1.8 3.60 358 272 A 26 LYS H A 27 HIS H 1.0 1.8 3.35 359 273 A 90 ILE HD1% A 27 HIS HBy 1.0 1.8 4.50 360 274 A 27 HIS HBy A 90 ILE HG2% 1.0 1.8 4.70 361 275 A 90 ILE HD1% A 27 HIS HBx 1.0 1.8 4.70 362 276 A 90 ILE HG2% A 27 HIS HBx 1.0 1.8 4.50 363 277 A 27 HIS HD2 A 90 ILE HD1% 1.0 1.8 5.08 364 278 A 27 HIS HD2 A 90 ILE HG2% 1.0 1.8 5.08 365 279 A 27 HIS HBy A 27 HIS H 1.0 1.8 3.88 366 280 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.88 367 281 A 27 HIS HD2 A 27 HIS H 1.0 1.8 4.48 368 282 A 27 HIS H A 28 ASN H 1.0 1.8 3.43 369 283 A 27 HIS H A 29 ILE H 1.0 1.8 5.04 370 284 A 28 ASN HBy A 29 ILE H 1.0 1.8 4.56 371 285 A 28 ASN HBy A 80 PHE HD% 1.0 1.8 4.60 372 286 A 29 ILE H A 28 ASN HBx 1.0 1.8 4.56 373 287 A 80 PHE HD% A 28 ASN HBx 1.0 1.8 4.60 374 288 A 29 ILE HD1% A 28 ASN HBx 1.0 1.8 4.75 375 288 A 28 ASN HBy A 29 ILE HD1% 1.0 1.8 4.75 376 289 A 28 ASN HBx A 29 ILE HG1x 1.0 1.8 4.71 377 289 A 28 ASN HBy A 29 ILE HG1x 1.0 1.8 4.71 378 289 A 29 ILE HG1y A 28 ASN HBx 1.0 1.8 4.71 379 289 A 28 ASN HBy A 29 ILE HG1y 1.0 1.8 4.71 380 290 A 29 ILE H A 28 ASN HBx 1.0 1.8 3.92 381 290 A 28 ASN HBy A 29 ILE H 1.0 1.8 3.92 382 291 A 80 PHE HD% A 28 ASN HBx 1.0 1.8 4.20 383 291 A 28 ASN HBy A 80 PHE HD% 1.0 1.8 4.20 384 292 A 90 ILE HG2% A 28 ASN HD2y 1.0 1.8 5.00 385 293 A 90 ILE HG2% A 28 ASN HD2x 1.0 1.8 5.00 386 294 A 28 ASN HD2y A 85 LYS H 1.0 1.8 5.00 387 294 A 28 ASN HD2x A 85 LYS H 1.0 1.8 5.00 388 295 A 28 ASN H A 28 ASN HBy 1.0 1.8 4.15 389 296 A 28 ASN H A 28 ASN HBx 1.0 1.8 4.15 390 297 A 28 ASN H A 28 ASN HD2y 1.0 1.8 4.71 391 297 A 28 ASN H A 28 ASN HD2x 1.0 1.8 4.71 392 298 A 28 ASN H A 29 ILE HB 1.0 1.8 5.40 393 299 A 28 ASN H A 29 ILE HD1% 1.0 1.8 5.50 394 300 A 28 ASN H A 29 ILE HG1x 1.0 1.8 4.76 395 300 A 28 ASN H A 29 ILE HG1y 1.0 1.8 4.76 396 301 A 28 ASN H A 29 ILE H 1.0 1.8 3.18 397 302 A 29 ILE HD1% A 29 ILE HA 1.0 1.8 4.75 398 303 A 29 ILE HA A 29 ILE HG2% 1.0 1.8 3.65 399 304 A 29 ILE HA A 30 PRO HDy 1.0 1.8 3.56 400 305 A 29 ILE HA A 30 PRO HDx 1.0 1.8 3.56 401 306 A 29 ILE HA A 30 PRO HGy 1.0 1.8 4.98 402 307 A 29 ILE HA A 30 PRO HGx 1.0 1.8 4.98 403 308 A 29 ILE HA A 79 MET HE% 1.0 1.8 5.34 404 309 A 29 ILE HD1% A 29 ILE HB 1.0 1.8 3.54 405 310 A 29 ILE HB A 32 PHE H 1.0 1.8 4.52 406 311 A 29 ILE HD1% A 32 PHE HBx 1.0 1.8 4.73 407 311 A 29 ILE HD1% A 32 PHE HBy 1.0 1.8 4.73 408 312 A 29 ILE HD1% A 32 PHE HD% 1.0 1.8 4.00 409 313 A 29 ILE HD1% A 53 ILE HD1% 1.0 1.8 4.00 410 314 A 29 ILE HD1% A 53 ILE HG2% 1.0 1.8 4.00 411 315 A 29 ILE HD1% A 76 LEU HD1% 1.0 1.8 3.14 412 316 A 29 ILE HD1% A 76 LEU HD2% 1.0 1.8 4.48 413 317 A 29 ILE HD1% A 79 MET HBy 1.0 1.8 4.85 414 318 A 29 ILE HD1% A 79 MET HBx 1.0 1.8 4.85 415 319 A 29 ILE HD1% A 80 PHE HA 1.0 1.8 5.00 416 320 A 29 ILE HD1% A 80 PHE HD% 1.0 1.8 5.16 417 321 A 80 PHE HA A 29 ILE HG1x 1.0 1.8 5.48 418 322 A 29 ILE HG1y A 80 PHE HA 1.0 1.8 4.00 419 323 A 80 PHE HD% A 29 ILE HG1x 1.0 1.8 5.50 420 323 A 80 PHE HD% A 29 ILE HG1y 1.0 1.8 5.50 421 324 A 29 ILE HD1% A 29 ILE HG2% 1.0 1.8 3.11 422 325 A 29 ILE HG1y A 29 ILE HG2% 1.0 1.8 3.74 423 326 A 29 ILE HG2% A 30 PRO HDy 1.0 1.8 4.64 424 327 A 29 ILE HG2% A 30 PRO HDx 1.0 1.8 4.64 425 328 A 29 ILE HG2% A 31 ASP HBy 1.0 1.8 4.59 426 329 A 29 ILE HG2% A 31 ASP HBx 1.0 1.8 4.59 427 330 A 29 ILE HG2% A 31 ASP H 1.0 1.8 3.41 428 331 A 29 ILE HG2% A 32 PHE HA 1.0 1.8 4.40 429 332 A 29 ILE HG2% A 32 PHE HBx 1.0 1.8 4.00 430 332 A 32 PHE HBy A 29 ILE HG2% 1.0 1.8 4.00 431 333 A 32 PHE HD% A 29 ILE HG2% 1.0 1.8 4.70 432 334 A 29 ILE HG2% A 32 PHE H 1.0 1.8 4.00 433 335 A 53 ILE HD1% A 29 ILE HG2% 1.0 1.8 3.49 434 336 A 29 ILE HG2% A 76 LEU HD1% 1.0 1.8 4.10 435 337 A 29 ILE HG2% A 79 MET HA 1.0 1.8 5.00 436 338 A 29 ILE HG2% A 79 MET HBy 1.0 1.8 4.00 437 339 A 29 ILE HG2% A 79 MET HBx 1.0 1.8 4.00 438 340 A 29 ILE HG2% A 79 MET HE% 1.0 1.8 4.00 439 341 A 29 ILE HG2% A 80 PHE HA 1.0 1.8 4.97 440 342 A 29 ILE HG2% A 80 PHE H 1.0 1.8 5.50 441 343 A 29 ILE H A 29 ILE HB 1.0 1.8 3.37 442 344 A 29 ILE HD1% A 29 ILE H 1.0 1.8 4.28 443 345 A 29 ILE H A 29 ILE HG1x 1.0 1.8 3.61 444 346 A 29 ILE H A 29 ILE HG1y 1.0 1.8 4.25 445 347 A 29 ILE H A 29 ILE HG2% 1.0 1.8 4.81 446 348 A 29 ILE H A 30 PRO HDy 1.0 1.8 5.34 447 349 A 29 ILE H A 30 PRO HDy 1.0 1.8 4.54 448 349 A 29 ILE H A 30 PRO HDx 1.0 1.8 4.54 449 350 A 29 ILE H A 32 PHE HBx 1.0 1.8 4.65 450 350 A 29 ILE H A 32 PHE HBy 1.0 1.8 4.65 451 351 A 32 PHE H A 30 PRO HA 1.0 1.8 4.82 452 352 A 31 ASP H A 30 PRO HBy 1.0 1.8 4.57 453 353 A 31 ASP H A 30 PRO HBx 1.0 1.8 4.57 454 354 A 81 GLN H A 30 PRO HDy 1.0 1.8 5.00 455 355 A 30 PRO HDx A 81 GLN H 1.0 1.8 5.00 456 356 A 31 ASP H A 30 PRO HDy 1.0 1.8 4.75 457 356 A 31 ASP H A 30 PRO HDx 1.0 1.8 4.75 458 357 A 80 PHE HA A 30 PRO HDy 1.0 1.8 4.80 459 357 A 80 PHE HA A 30 PRO HDx 1.0 1.8 4.80 460 358 A 30 PRO HDy A 81 GLN HBx 1.0 1.8 5.00 461 358 A 30 PRO HDx A 81 GLN HBx 1.0 1.8 5.00 462 358 A 81 GLN HBy A 30 PRO HDy 1.0 1.8 5.00 463 358 A 30 PRO HDx A 81 GLN HBy 1.0 1.8 5.00 464 359 A 31 ASP H A 30 PRO HGy 1.0 1.8 4.06 465 359 A 31 ASP H A 30 PRO HGx 1.0 1.8 4.06 466 360 A 32 PHE H A 31 ASP HBy 1.0 1.8 4.83 467 361 A 79 MET HE% A 31 ASP HBy 1.0 1.8 4.00 468 362 A 32 PHE H A 31 ASP HBx 1.0 1.8 4.83 469 363 A 79 MET HE% A 31 ASP HBx 1.0 1.8 4.00 470 364 A 54 ASN HD21 A 31 ASP HBy 1.0 1.8 4.63 471 364 A 31 ASP HBx A 54 ASN HD22 1.0 1.8 4.63 472 364 A 31 ASP HBx A 54 ASN HD21 1.0 1.8 4.63 473 364 A 54 ASN HD22 A 31 ASP HBy 1.0 1.8 4.63 474 365 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.68 475 366 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.68 476 367 A 32 PHE H A 31 ASP H 1.0 1.8 3.67 477 368 A 79 MET HE% A 31 ASP H 1.0 1.8 4.30 478 369 A 32 PHE HD% A 32 PHE HA 1.0 1.8 3.85 479 370 A 32 PHE HA A 33 ASN HBx 1.0 1.8 4.56 480 370 A 32 PHE HA A 33 ASN HBy 1.0 1.8 4.56 481 371 A 32 PHE HA A 33 ASN H 1.0 1.8 3.16 482 372 A 32 PHE HA A 34 THR H 1.0 1.8 4.71 483 373 A 53 ILE HD1% A 32 PHE HA 1.0 1.8 3.90 484 374 A 32 PHE HA A 54 ASN HD21 1.0 1.8 4.70 485 374 A 32 PHE HA A 54 ASN HD22 1.0 1.8 4.70 486 375 A 33 ASN H A 32 PHE HBx 1.0 1.8 4.57 487 375 A 32 PHE HBy A 33 ASN H 1.0 1.8 4.57 488 376 A 53 ILE HD1% A 32 PHE HBx 1.0 1.8 4.71 489 376 A 53 ILE HD1% A 32 PHE HBy 1.0 1.8 4.71 490 377 A 32 PHE HD% A 53 ILE HB 1.0 1.8 4.64 491 378 A 32 PHE HD% A 53 ILE HD1% 1.0 1.8 3.69 492 379 A 32 PHE HD% A 53 ILE HG2% 1.0 1.8 3.72 493 380 A 32 PHE HE% A 35 VAL HB 1.0 1.8 3.60 494 381 A 35 VAL HGx% A 32 PHE HE% 1.0 1.8 3.89 495 382 A 35 VAL HGy% A 32 PHE HE% 1.0 1.8 3.99 496 383 A 32 PHE HE% A 53 ILE HB 1.0 1.8 4.60 497 384 A 32 PHE HE% A 53 ILE HD1% 1.0 1.8 4.69 498 385 A 32 PHE HE% A 53 ILE HG2% 1.0 1.8 3.35 499 386 A 32 PHE H A 32 PHE HBx 1.0 1.8 3.00 500 386 A 32 PHE HBy A 32 PHE H 1.0 1.8 3.00 501 387 A 32 PHE HD% A 32 PHE H 1.0 1.8 4.19 502 388 A 32 PHE H A 33 ASN H 1.0 1.8 4.70 503 389 A 32 PHE HZ A 34 THR HA 1.0 1.8 3.83 504 390 A 32 PHE HZ A 35 VAL HB 1.0 1.8 3.82 505 391 A 35 VAL HGx% A 32 PHE HZ 1.0 1.8 3.22 506 392 A 35 VAL HGy% A 32 PHE HZ 1.0 1.8 4.44 507 393 A 33 ASN HA A 34 THR HG2% 1.0 1.8 4.54 508 394 A 34 THR HB A 33 ASN HBx 1.0 1.8 5.00 509 394 A 33 ASN HBy A 34 THR HB 1.0 1.8 5.00 510 395 A 34 THR HG2% A 33 ASN HBx 1.0 1.8 3.50 511 395 A 33 ASN HBy A 34 THR HG2% 1.0 1.8 3.50 512 396 A 34 THR H A 33 ASN HBx 1.0 1.8 3.90 513 396 A 33 ASN HBy A 34 THR H 1.0 1.8 3.90 514 397 A 54 ASN HA A 33 ASN HBx 1.0 1.8 4.09 515 397 A 33 ASN HBy A 54 ASN HA 1.0 1.8 4.09 516 398 A 54 ASN HD21 A 33 ASN HBx 1.0 1.8 5.04 517 398 A 33 ASN HBy A 54 ASN HD21 1.0 1.8 5.04 518 399 A 54 ASN HD22 A 33 ASN HBx 1.0 1.8 5.04 519 399 A 33 ASN HBy A 54 ASN HD22 1.0 1.8 5.04 520 400 A 34 THR HG2% A 33 ASN HD22 1.0 1.8 4.67 521 400 A 34 THR HG2% A 33 ASN HD21 1.0 1.8 4.67 522 401 A 33 ASN H A 33 ASN HBx 1.0 1.8 3.50 523 401 A 33 ASN HBy A 33 ASN H 1.0 1.8 3.50 524 402 A 33 ASN H A 33 ASN HD22 1.0 1.8 5.19 525 402 A 33 ASN H A 33 ASN HD21 1.0 1.8 5.19 526 403 A 33 ASN H A 34 THR HG2% 1.0 1.8 4.66 527 404 A 33 ASN H A 34 THR H 1.0 1.8 2.99 528 405 A 53 ILE HD1% A 33 ASN H 1.0 1.8 5.01 529 406 A 33 ASN H A 54 ASN HA 1.0 1.8 4.92 530 407 A 33 ASN H A 54 ASN HD21 1.0 1.8 4.40 531 408 A 33 ASN H A 54 ASN HD22 1.0 1.8 4.40 532 409 A 34 THR HA A 34 THR HG2% 1.0 1.8 3.41 533 410 A 35 VAL HGx% A 34 THR HA 1.0 1.8 4.31 534 411 A 34 THR HA A 35 VAL H 1.0 1.8 2.88 535 412 A 34 THR HB A 35 VAL H 1.0 1.8 3.93 536 413 A 34 THR HG2% A 35 VAL H 1.0 1.8 3.93 537 414 A 34 THR HG2% A 54 ASN HA 1.0 1.8 3.37 538 415 A 34 THR HG2% A 54 ASN HBy 1.0 1.8 5.17 539 416 A 34 THR HG2% A 54 ASN HBx 1.0 1.8 5.50 540 417 A 34 THR HG2% A 54 ASN H 1.0 1.8 3.93 541 418 A 34 THR HG2% A 55 ASN HBx 1.0 1.8 5.34 542 418 A 34 THR HG2% A 55 ASN HBy 1.0 1.8 5.34 543 419 A 34 THR HG2% A 55 ASN HD21 1.0 1.8 5.00 544 420 A 34 THR HG2% A 55 ASN HD22 1.0 1.8 5.00 545 421 A 34 THR HG2% A 55 ASN H 1.0 1.8 3.96 546 422 A 34 THR H A 34 THR HB 1.0 1.8 4.10 547 423 A 34 THR H A 34 THR HG2% 1.0 1.8 3.70 548 424 A 34 THR H A 35 VAL H 1.0 1.8 4.71 549 425 A 53 ILE HG2% A 34 THR H 1.0 1.8 4.74 550 426 A 34 THR H A 54 ASN HA 1.0 1.8 3.89 551 427 A 34 THR H A 54 ASN HD21 1.0 1.8 4.97 552 427 A 34 THR H A 54 ASN HD22 1.0 1.8 4.97 553 428 A 34 THR H A 54 ASN H 1.0 1.8 3.71 554 429 A 35 VAL HGx% A 35 VAL HA 1.0 1.8 3.98 555 430 A 35 VAL HGy% A 35 VAL HA 1.0 1.8 3.44 556 431 A 35 VAL HA A 36 THR H 1.0 1.8 2.91 557 432 A 35 VAL HA A 53 ILE HA 1.0 1.8 3.26 558 433 A 53 ILE HB A 35 VAL HA 1.0 1.8 4.54 559 434 A 53 ILE HG2% A 35 VAL HA 1.0 1.8 3.87 560 435 A 54 ASN H A 35 VAL HA 1.0 1.8 5.00 561 436 A 35 VAL HB A 36 THR H 1.0 1.8 4.24 562 437 A 35 VAL HB A 53 ILE HA 1.0 1.8 4.67 563 438 A 35 VAL HB A 53 ILE HG2% 1.0 1.8 3.78 564 439 A 35 VAL HGx% A 36 THR H 1.0 1.8 4.27 565 440 A 37 PHE HE% A 35 VAL HGx% 1.0 1.8 3.52 566 441 A 35 VAL HGy% A 36 THR HA 1.0 1.8 4.87 567 442 A 35 VAL HGy% A 36 THR HB 1.0 1.8 5.11 568 443 A 35 VAL HGy% A 36 THR H 1.0 1.8 3.24 569 444 A 37 PHE HD% A 35 VAL HGy% 1.0 1.8 4.52 570 445 A 37 PHE HE% A 35 VAL HGy% 1.0 1.8 3.72 571 446 A 35 VAL HGy% A 37 PHE H 1.0 1.8 4.82 572 447 A 35 VAL HGy% A 37 PHE HZ 1.0 1.8 3.48 573 448 A 35 VAL HGy% A 51 GLY HAx 1.0 1.8 4.86 574 448 A 35 VAL HGy% A 51 GLY HAy 1.0 1.8 4.86 575 449 A 35 VAL HGy% A 52 TYR H 1.0 1.8 3.97 576 450 A 35 VAL HGy% A 53 ILE HA 1.0 1.8 4.32 577 451 A 35 VAL HGy% A 53 ILE HG2% 1.0 1.8 3.45 578 452 A 35 VAL HB A 35 VAL H 1.0 1.8 3.95 579 453 A 35 VAL HGx% A 35 VAL H 1.0 1.8 3.00 580 454 A 35 VAL HGy% A 35 VAL H 1.0 1.8 4.21 581 455 A 36 THR HA A 36 THR HG2% 1.0 1.8 3.22 582 456 A 36 THR HA A 37 PHE HBy 1.0 1.8 5.11 583 456 A 36 THR HA A 37 PHE HBx 1.0 1.8 5.11 584 457 A 37 PHE HD% A 36 THR HA 1.0 1.8 4.90 585 458 A 36 THR HA A 37 PHE H 1.0 1.8 2.89 586 459 A 36 THR HB A 37 PHE H 1.0 1.8 4.75 587 460 A 36 THR HB A 38 THR HG2% 1.0 1.8 4.77 588 461 A 36 THR HB A 52 TYR HD% 1.0 1.8 4.91 589 462 A 36 THR HB A 52 TYR HE% 1.0 1.8 4.32 590 463 A 36 THR HB A 52 TYR H 1.0 1.8 4.23 591 464 A 36 THR HG2% A 37 PHE HA 1.0 1.8 4.69 592 465 A 37 PHE H A 36 THR HG2% 1.0 1.8 3.34 593 466 A 36 THR HG2% A 38 THR HA 1.0 1.8 4.68 594 467 A 36 THR HG2% A 38 THR HG2% 1.0 1.8 3.62 595 468 A 36 THR HG2% A 52 TYR HD% 1.0 1.8 5.01 596 469 A 52 TYR H A 36 THR HG2% 1.0 1.8 4.59 597 470 A 36 THR H A 36 THR HB 1.0 1.8 3.48 598 471 A 36 THR H A 36 THR HG2% 1.0 1.8 4.18 599 472 A 36 THR H A 37 PHE H 1.0 1.8 4.79 600 473 A 36 THR H A 52 TYR H 1.0 1.8 4.00 601 474 A 36 THR H A 53 ILE HA 1.0 1.8 3.99 602 475 A 53 ILE HG2% A 36 THR H 1.0 1.8 4.43 603 476 A 37 PHE HD% A 37 PHE HA 1.0 1.8 3.73 604 477 A 38 THR HG2% A 37 PHE HA 1.0 1.8 4.52 605 478 A 37 PHE HA A 38 THR H 1.0 1.8 3.29 606 479 A 49 ILE HG2% A 37 PHE HA 1.0 1.8 4.97 607 480 A 51 GLY HAy A 37 PHE HA 1.0 1.8 4.23 608 481 A 37 PHE HA A 51 GLY HAx 1.0 1.8 4.23 609 482 A 52 TYR H A 37 PHE HA 1.0 1.8 5.00 610 483 A 38 THR H A 37 PHE HBy 1.0 1.8 4.87 611 484 A 49 ILE HG2% A 37 PHE HBy 1.0 1.8 4.89 612 485 A 37 PHE HBx A 38 THR H 1.0 1.8 4.87 613 486 A 49 ILE HG2% A 37 PHE HBx 1.0 1.8 4.89 614 487 A 39 ASN H A 37 PHE HBy 1.0 1.8 5.00 615 487 A 37 PHE HBx A 39 ASN H 1.0 1.8 5.00 616 488 A 37 PHE HD% A 38 THR H 1.0 1.8 4.69 617 489 A 49 ILE HG2% A 37 PHE HD% 1.0 1.8 3.22 618 490 A 37 PHE HD% A 51 GLY HAx 1.0 1.8 5.21 619 490 A 37 PHE HD% A 51 GLY HAy 1.0 1.8 5.21 620 491 A 37 PHE HE% A 49 ILE HG2% 1.0 1.8 3.67 621 492 A 37 PHE H A 37 PHE HBy 1.0 1.8 3.94 622 493 A 37 PHE H A 37 PHE HBx 1.0 1.8 3.94 623 494 A 37 PHE HD% A 37 PHE H 1.0 1.8 3.57 624 495 A 37 PHE H A 38 THR HG2% 1.0 1.8 5.50 625 496 A 38 THR HG2% A 38 THR HA 1.0 1.8 3.20 626 497 A 39 ASN H A 38 THR HB 1.0 1.8 4.61 627 498 A 38 THR HG2% A 39 ASN H 1.0 1.8 5.10 628 499 A 51 GLY HAy A 38 THR HG2% 1.0 1.8 4.45 629 500 A 38 THR HG2% A 51 GLY HAx 1.0 1.8 4.45 630 501 A 38 THR HG2% A 52 TYR HD% 1.0 1.8 4.02 631 502 A 38 THR HG2% A 52 TYR HE% 1.0 1.8 4.09 632 503 A 52 TYR H A 38 THR HG2% 1.0 1.8 4.65 633 504 A 38 THR HG2% A 38 THR H 1.0 1.8 3.77 634 505 A 38 THR H A 39 ASN H 1.0 1.8 3.65 635 506 A 51 GLY HAy A 38 THR H 1.0 1.8 4.22 636 507 A 38 THR H A 51 GLY HAx 1.0 1.8 4.22 637 508 A 39 ASN HBy A 39 ASN HD22 1.0 1.8 3.18 638 508 A 39 ASN HBx A 39 ASN HD22 1.0 1.8 3.18 639 508 A 39 ASN HD21 A 39 ASN HBx 1.0 1.8 3.18 640 508 A 39 ASN HBy A 39 ASN HD21 1.0 1.8 3.18 641 509 A 50 ASP H A 39 ASN HBx 1.0 1.8 4.88 642 509 A 39 ASN HBy A 50 ASP H 1.0 1.8 4.88 643 510 A 39 ASN H A 50 ASP HBy 1.0 1.8 5.00 644 510 A 39 ASN H A 50 ASP HBx 1.0 1.8 5.00 645 511 A 40 GLU HA A 41 GLU H 1.0 1.8 3.16 646 512 A 41 GLU H A 40 GLU HBy 1.0 1.8 4.60 647 513 A 41 GLU H A 40 GLU HBx 1.0 1.8 4.60 648 514 A 40 GLU H A 40 GLU HGx 1.0 1.8 4.51 649 514 A 40 GLU H A 40 GLU HGy 1.0 1.8 4.51 650 515 A 41 GLU HA A 41 GLU HGx 1.0 1.8 3.99 651 515 A 41 GLU HA A 41 GLU HGy 1.0 1.8 3.99 652 516 A 41 GLU HA A 42 PHE H 1.0 1.8 3.35 653 517 A 42 PHE H A 41 GLU HBy 1.0 1.8 4.31 654 518 A 42 PHE H A 41 GLU HBx 1.0 1.8 4.31 655 519 A 42 PHE H A 41 GLU HGx 1.0 1.8 4.71 656 519 A 41 GLU HGy A 42 PHE H 1.0 1.8 4.71 657 520 A 41 GLU HGy A 48 SER HBx 1.0 1.8 4.80 658 520 A 41 GLU HGx A 48 SER HBx 1.0 1.8 4.80 659 520 A 48 SER HBy A 41 GLU HGx 1.0 1.8 4.80 660 520 A 41 GLU HGy A 48 SER HBy 1.0 1.8 4.80 661 521 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.48 662 521 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.48 663 522 A 41 GLU H A 41 GLU HGx 1.0 1.8 4.15 664 522 A 41 GLU H A 41 GLU HGy 1.0 1.8 4.15 665 523 A 42 PHE HA A 42 PHE HD% 1.0 1.8 4.26 666 524 A 47 ILE HG2% A 42 PHE HA 1.0 1.8 5.00 667 525 A 43 ASN H A 42 PHE HBy 1.0 1.8 4.88 668 526 A 43 ASN H A 42 PHE HBx 1.0 1.8 4.88 669 527 A 42 PHE H A 42 PHE HBy 1.0 1.8 3.57 670 527 A 42 PHE H A 42 PHE HBx 1.0 1.8 3.57 671 528 A 42 PHE H A 43 ASN H 1.0 1.8 4.51 672 529 A 43 ASN HA A 43 ASN HD22 1.0 1.8 4.91 673 529 A 43 ASN HA A 43 ASN HD21 1.0 1.8 4.91 674 530 A 43 ASN HA A 44 PRO HDy 1.0 1.8 3.39 675 531 A 43 ASN HA A 44 PRO HDx 1.0 1.8 3.39 676 532 A 43 ASN HA A 44 PRO HGx 1.0 1.8 4.91 677 532 A 43 ASN HA A 44 PRO HGy 1.0 1.8 4.91 678 533 A 43 ASN HBx A 43 ASN HD22 1.0 1.8 3.34 679 533 A 43 ASN HBy A 43 ASN HD22 1.0 1.8 3.34 680 533 A 43 ASN HD21 A 43 ASN HBx 1.0 1.8 3.34 681 533 A 43 ASN HD21 A 43 ASN HBy 1.0 1.8 3.34 682 534 A 43 ASN HBy A 44 PRO HDy 1.0 1.8 3.40 683 534 A 43 ASN HBx A 44 PRO HDy 1.0 1.8 3.40 684 534 A 44 PRO HDx A 43 ASN HBx 1.0 1.8 3.40 685 534 A 43 ASN HBy A 44 PRO HDx 1.0 1.8 3.40 686 535 A 43 ASN HBx A 44 PRO HGx 1.0 1.8 5.08 687 535 A 43 ASN HBy A 44 PRO HGx 1.0 1.8 5.08 688 535 A 44 PRO HGy A 43 ASN HBx 1.0 1.8 5.08 689 535 A 44 PRO HGy A 43 ASN HBy 1.0 1.8 5.08 690 536 A 45 ILE H A 43 ASN HBx 1.0 1.8 5.00 691 536 A 43 ASN HBy A 45 ILE H 1.0 1.8 5.00 692 537 A 46 GLY H A 43 ASN HBx 1.0 1.8 4.53 693 537 A 43 ASN HBy A 46 GLY H 1.0 1.8 4.53 694 538 A 43 ASN H A 43 ASN HBx 1.0 1.8 3.69 695 538 A 43 ASN H A 43 ASN HBy 1.0 1.8 3.69 696 539 A 43 ASN H A 46 GLY H 1.0 1.8 4.76 697 540 A 45 ILE H A 44 PRO HBx 1.0 1.8 3.81 698 540 A 45 ILE H A 44 PRO HBy 1.0 1.8 3.81 699 541 A 45 ILE H A 44 PRO HDy 1.0 1.8 4.07 700 541 A 44 PRO HDx A 45 ILE H 1.0 1.8 4.07 701 542 A 45 ILE HA A 45 ILE HD1% 1.0 1.8 4.23 702 543 A 45 ILE HA A 45 ILE HG1x 1.0 1.8 3.69 703 543 A 45 ILE HA A 45 ILE HG1y 1.0 1.8 3.69 704 544 A 45 ILE HA A 45 ILE HG2% 1.0 1.8 3.35 705 545 A 45 ILE HD1% A 45 ILE HB 1.0 1.8 3.59 706 546 A 46 GLY H A 45 ILE HB 1.0 1.8 4.69 707 547 A 46 GLY H A 45 ILE HG1x 1.0 1.8 5.15 708 547 A 46 GLY H A 45 ILE HG1y 1.0 1.8 5.15 709 548 A 45 ILE HG2% A 45 ILE HG1x 1.0 1.8 3.11 710 548 A 45 ILE HG1y A 45 ILE HG2% 1.0 1.8 3.11 711 549 A 46 GLY H A 45 ILE HG2% 1.0 1.8 4.66 712 550 A 45 ILE H A 45 ILE HB 1.0 1.8 4.04 713 551 A 45 ILE H A 45 ILE HD1% 1.0 1.8 4.62 714 552 A 45 ILE H A 45 ILE HG2% 1.0 1.8 3.95 715 553 A 47 ILE HG2% A 46 GLY HAy 1.0 1.8 4.79 716 554 A 47 ILE H A 46 GLY HAy 1.0 1.8 3.44 717 555 A 47 ILE HG2% A 46 GLY HAx 1.0 1.8 4.79 718 556 A 47 ILE H A 46 GLY HAx 1.0 1.8 3.44 719 557 A 46 GLY HAy A 65 LYS HDx 1.0 1.8 4.49 720 557 A 46 GLY HAx A 65 LYS HDx 1.0 1.8 4.49 721 557 A 65 LYS HDy A 46 GLY HAx 1.0 1.8 4.49 722 557 A 46 GLY HAy A 65 LYS HDy 1.0 1.8 4.49 723 558 A 46 GLY HAy A 65 LYS HEx 1.0 1.8 4.54 724 558 A 65 LYS HEy A 46 GLY HAx 1.0 1.8 4.54 725 558 A 46 GLY HAy A 65 LYS HEy 1.0 1.8 4.54 726 558 A 46 GLY HAx A 65 LYS HEx 1.0 1.8 4.54 727 559 A 46 GLY HAx A 65 LYS HGx 1.0 1.8 5.18 728 559 A 46 GLY HAy A 65 LYS HGx 1.0 1.8 5.18 729 559 A 65 LYS HGy A 46 GLY HAx 1.0 1.8 5.18 730 559 A 46 GLY HAy A 65 LYS HGy 1.0 1.8 5.18 731 560 A 46 GLY H A 47 ILE H 1.0 1.8 4.39 732 561 A 47 ILE HD1% A 47 ILE HA 1.0 1.8 4.37 733 562 A 47 ILE HG2% A 47 ILE HA 1.0 1.8 3.58 734 563 A 47 ILE HA A 48 SER H 1.0 1.8 3.53 735 564 A 47 ILE HB A 47 ILE HD1% 1.0 1.8 3.42 736 565 A 47 ILE HB A 48 SER HA 1.0 1.8 4.98 737 566 A 47 ILE HB A 48 SER H 1.0 1.8 3.79 738 567 A 47 ILE HD1% A 48 SER H 1.0 1.8 4.86 739 568 A 47 ILE HD1% A 65 LYS HA 1.0 1.8 3.86 740 569 A 47 ILE HD1% A 65 LYS HEx 1.0 1.8 4.80 741 569 A 47 ILE HD1% A 65 LYS HEy 1.0 1.8 4.80 742 570 A 47 ILE HD1% A 65 LYS H 1.0 1.8 5.33 743 571 A 65 LYS H A 47 ILE HG1y 1.0 1.8 4.56 744 572 A 65 LYS H A 47 ILE HG1x 1.0 1.8 4.56 745 573 A 47 ILE HG1y A 64 GLY HAx 1.0 1.8 4.61 746 573 A 47 ILE HG1x A 64 GLY HAx 1.0 1.8 4.61 747 573 A 64 GLY HAy A 47 ILE HG1y 1.0 1.8 4.61 748 573 A 47 ILE HG1x A 64 GLY HAy 1.0 1.8 4.61 749 574 A 65 LYS HA A 47 ILE HG1y 1.0 1.8 4.66 750 574 A 65 LYS HA A 47 ILE HG1x 1.0 1.8 4.66 751 575 A 47 ILE HG2% A 48 SER H 1.0 1.8 3.98 752 576 A 47 ILE HG2% A 65 LYS HDx 1.0 1.8 4.84 753 576 A 47 ILE HG2% A 65 LYS HDy 1.0 1.8 4.84 754 577 A 47 ILE HB A 47 ILE H 1.0 1.8 3.90 755 578 A 47 ILE H A 47 ILE HG1y 1.0 1.8 3.71 756 579 A 47 ILE H A 47 ILE HG1x 1.0 1.8 3.71 757 580 A 47 ILE HG2% A 47 ILE H 1.0 1.8 3.65 758 581 A 47 ILE H A 48 SER H 1.0 1.8 4.67 759 582 A 47 ILE H A 65 LYS HBx 1.0 1.8 5.19 760 582 A 47 ILE H A 65 LYS HBy 1.0 1.8 5.19 761 583 A 47 ILE H A 65 LYS HDx 1.0 1.8 5.34 762 583 A 47 ILE H A 65 LYS HDy 1.0 1.8 5.34 763 584 A 49 ILE HB A 48 SER HA 1.0 1.8 5.46 764 585 A 48 SER HA A 49 ILE H 1.0 1.8 3.19 765 586 A 48 SER HA A 62 THR HG2% 1.0 1.8 4.77 766 587 A 48 SER HBy A 49 ILE H 1.0 1.8 4.44 767 588 A 48 SER HBy A 62 THR HG2% 1.0 1.8 4.49 768 589 A 49 ILE H A 48 SER HBx 1.0 1.8 4.44 769 590 A 62 THR HG2% A 48 SER HBx 1.0 1.8 4.49 770 591 A 49 ILE HD1% A 49 ILE HA 1.0 1.8 4.36 771 592 A 49 ILE HA A 49 ILE HG1y 1.0 1.8 4.23 772 593 A 49 ILE HA A 49 ILE HG1x 1.0 1.8 4.23 773 594 A 49 ILE HG2% A 49 ILE HA 1.0 1.8 3.49 774 595 A 50 ASP H A 49 ILE HA 1.0 1.8 3.14 775 596 A 49 ILE HD1% A 49 ILE HB 1.0 1.8 3.46 776 597 A 49 ILE HB A 50 ASP H 1.0 1.8 4.71 777 598 A 63 ALA HB% A 49 ILE HB 1.0 1.8 3.68 778 599 A 49 ILE HB A 63 ALA H 1.0 1.8 5.04 779 600 A 49 ILE HD1% A 63 ALA HB% 1.0 1.8 4.39 780 601 A 50 ASP H A 49 ILE HG1y 1.0 1.8 4.88 781 601 A 50 ASP H A 49 ILE HG1x 1.0 1.8 4.88 782 602 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.17 783 603 A 49 ILE HG2% A 50 ASP H 1.0 1.8 3.72 784 604 A 49 ILE HG2% A 51 GLY H 1.0 1.8 5.46 785 605 A 49 ILE HB A 49 ILE H 1.0 1.8 3.63 786 606 A 49 ILE HD1% A 49 ILE H 1.0 1.8 4.79 787 607 A 49 ILE H A 49 ILE HG1y 1.0 1.8 4.27 788 608 A 49 ILE H A 49 ILE HG1x 1.0 1.8 4.27 789 609 A 50 ASP H A 49 ILE H 1.0 1.8 4.97 790 610 A 49 ILE H A 62 THR HG2% 1.0 1.8 4.37 791 611 A 63 ALA HB% A 49 ILE H 1.0 1.8 4.42 792 612 A 49 ILE H A 63 ALA H 1.0 1.8 3.95 793 613 A 49 ILE H A 64 GLY HAx 1.0 1.8 4.63 794 613 A 64 GLY HAy A 49 ILE H 1.0 1.8 4.63 795 614 A 51 GLY H A 50 ASP HA 1.0 1.8 3.06 796 615 A 50 ASP HA A 62 THR HA 1.0 1.8 3.47 797 616 A 62 THR HG2% A 50 ASP HA 1.0 1.8 4.27 798 617 A 63 ALA H A 50 ASP HA 1.0 1.8 4.66 799 618 A 51 GLY H A 50 ASP HBy 1.0 1.8 4.59 800 619 A 50 ASP HBx A 51 GLY H 1.0 1.8 4.59 801 620 A 62 THR HA A 50 ASP HBy 1.0 1.8 4.81 802 620 A 50 ASP HBx A 62 THR HA 1.0 1.8 4.81 803 621 A 50 ASP H A 50 ASP HBy 1.0 1.8 4.18 804 622 A 50 ASP H A 50 ASP HBx 1.0 1.8 4.18 805 623 A 50 ASP H A 51 GLY H 1.0 1.8 4.68 806 624 A 51 GLY HAy A 52 TYR H 1.0 1.8 3.46 807 625 A 52 TYR H A 51 GLY HAx 1.0 1.8 3.38 808 626 A 52 TYR HD% A 51 GLY HAx 1.0 1.8 5.15 809 626 A 51 GLY HAy A 52 TYR HD% 1.0 1.8 5.15 810 627 A 52 TYR H A 51 GLY H 1.0 1.8 4.60 811 628 A 51 GLY H A 61 PHE H 1.0 1.8 3.81 812 629 A 51 GLY H A 62 THR HA 1.0 1.8 4.27 813 630 A 62 THR HG2% A 51 GLY H 1.0 1.8 5.50 814 631 A 52 TYR HD% A 52 TYR HA 1.0 1.8 4.53 815 632 A 53 ILE HG2% A 52 TYR HA 1.0 1.8 4.30 816 633 A 52 TYR HA A 53 ILE H 1.0 1.8 3.43 817 634 A 52 TYR HA A 60 SER HA 1.0 1.8 3.33 818 635 A 52 TYR HA A 60 SER HBx 1.0 1.8 5.00 819 635 A 52 TYR HA A 60 SER HBy 1.0 1.8 5.00 820 636 A 61 PHE H A 52 TYR HA 1.0 1.8 4.17 821 637 A 76 LEU HD2% A 52 TYR HA 1.0 1.8 4.79 822 638 A 53 ILE H A 52 TYR HBy 1.0 1.8 4.06 823 639 A 60 SER HA A 52 TYR HBy 1.0 1.8 4.14 824 640 A 53 ILE H A 52 TYR HBx 1.0 1.8 4.06 825 641 A 60 SER HA A 52 TYR HBx 1.0 1.8 4.14 826 642 A 57 LYS HA A 52 TYR HBy 1.0 1.8 3.87 827 642 A 52 TYR HBx A 57 LYS HA 1.0 1.8 3.87 828 643 A 52 TYR HBy A 60 SER HBx 1.0 1.8 3.90 829 643 A 52 TYR HBx A 60 SER HBx 1.0 1.8 3.90 830 643 A 60 SER HBy A 52 TYR HBy 1.0 1.8 3.90 831 643 A 60 SER HBy A 52 TYR HBx 1.0 1.8 3.90 832 644 A 60 SER H A 52 TYR HBy 1.0 1.8 4.88 833 644 A 52 TYR HBx A 60 SER H 1.0 1.8 4.88 834 645 A 52 TYR HD% A 53 ILE H 1.0 1.8 4.44 835 646 A 52 TYR HD% A 55 ASN HA 1.0 1.8 4.24 836 647 A 55 ASN H A 52 TYR HD% 1.0 1.8 4.57 837 648 A 52 TYR HD% A 56 ASP H 1.0 1.8 4.38 838 649 A 52 TYR HD% A 57 LYS HA 1.0 1.8 4.03 839 650 A 52 TYR HE% A 55 ASN HA 1.0 1.8 3.22 840 651 A 52 TYR HE% A 55 ASN HBx 1.0 1.8 5.05 841 651 A 55 ASN HBy A 52 TYR HE% 1.0 1.8 5.05 842 652 A 55 ASN H A 52 TYR HE% 1.0 1.8 4.24 843 653 A 52 TYR HE% A 56 ASP H 1.0 1.8 4.38 844 654 A 52 TYR HE% A 57 LYS HA 1.0 1.8 4.87 845 655 A 52 TYR HE% A 57 LYS HEx 1.0 1.8 4.80 846 655 A 52 TYR HE% A 57 LYS HEy 1.0 1.8 4.80 847 656 A 52 TYR HE% A 57 LYS HGx 1.0 1.8 5.38 848 656 A 52 TYR HE% A 57 LYS HGy 1.0 1.8 5.38 849 657 A 52 TYR H A 52 TYR HD% 1.0 1.8 3.95 850 658 A 53 ILE HD1% A 53 ILE HA 1.0 1.8 4.60 851 659 A 53 ILE HG2% A 53 ILE HA 1.0 1.8 3.50 852 660 A 54 ASN HA A 53 ILE HA 1.0 1.8 4.54 853 661 A 54 ASN H A 53 ILE HA 1.0 1.8 3.35 854 662 A 55 ASN H A 53 ILE HA 1.0 1.8 4.71 855 663 A 53 ILE HD1% A 53 ILE HB 1.0 1.8 3.45 856 664 A 53 ILE HB A 54 ASN H 1.0 1.8 3.60 857 665 A 53 ILE HD1% A 54 ASN HBx 1.0 1.8 4.35 858 665 A 53 ILE HD1% A 54 ASN HBy 1.0 1.8 4.35 859 666 A 53 ILE HD1% A 54 ASN HD21 1.0 1.8 4.72 860 667 A 53 ILE HD1% A 54 ASN HD22 1.0 1.8 4.72 861 668 A 53 ILE HD1% A 59 LEU HBy 1.0 1.8 4.92 862 668 A 53 ILE HD1% A 59 LEU HBx 1.0 1.8 4.92 863 669 A 53 ILE HD1% A 76 LEU HD1% 1.0 1.8 3.00 864 670 A 53 ILE HD1% A 79 MET HE% 1.0 1.8 3.17 865 671 A 54 ASN HBy A 53 ILE HG1y 1.0 1.8 4.97 866 672 A 53 ILE HG1y A 54 ASN HBx 1.0 1.8 4.55 867 673 A 53 ILE HG1y A 59 LEU HBy 1.0 1.8 4.95 868 673 A 59 LEU HBx A 53 ILE HG1y 1.0 1.8 4.95 869 674 A 79 MET HE% A 53 ILE HG1y 1.0 1.8 5.17 870 675 A 53 ILE HG1x A 59 LEU HBy 1.0 1.8 4.95 871 675 A 59 LEU HBx A 53 ILE HG1x 1.0 1.8 4.95 872 676 A 53 ILE HG2% A 54 ASN H 1.0 1.8 4.08 873 677 A 53 ILE HG2% A 59 LEU HBy 1.0 1.8 5.41 874 677 A 53 ILE HG2% A 59 LEU HBx 1.0 1.8 5.41 875 678 A 53 ILE HG2% A 61 PHE HE% 1.0 1.8 3.98 876 679 A 53 ILE HD1% A 53 ILE H 1.0 1.8 4.94 877 680 A 53 ILE H A 53 ILE HG1y 1.0 1.8 4.73 878 681 A 53 ILE H A 53 ILE HG1x 1.0 1.8 3.65 879 682 A 53 ILE HG2% A 53 ILE H 1.0 1.8 3.59 880 683 A 53 ILE H A 59 LEU HBy 1.0 1.8 3.79 881 683 A 53 ILE H A 59 LEU HBx 1.0 1.8 3.79 882 684 A 53 ILE H A 59 LEU HD1% 1.0 1.8 4.60 883 685 A 53 ILE H A 60 SER HA 1.0 1.8 4.43 884 686 A 76 LEU HD1% A 53 ILE H 1.0 1.8 4.56 885 687 A 54 ASN HA A 54 ASN HD21 1.0 1.8 4.66 886 687 A 54 ASN HA A 54 ASN HD22 1.0 1.8 4.66 887 688 A 54 ASN HBy A 59 LEU HD1% 1.0 1.8 4.11 888 689 A 59 LEU HD1% A 54 ASN HBx 1.0 1.8 4.11 889 690 A 54 ASN HD22 A 54 ASN HBy 1.0 1.8 3.57 890 690 A 54 ASN HD21 A 54 ASN HBx 1.0 1.8 3.57 891 690 A 54 ASN HD22 A 54 ASN HBx 1.0 1.8 3.57 892 690 A 54 ASN HD21 A 54 ASN HBy 1.0 1.8 3.57 893 691 A 79 MET HE% A 54 ASN HD21 1.0 1.8 3.80 894 692 A 79 MET HE% A 54 ASN HD22 1.0 1.8 3.80 895 693 A 54 ASN H A 55 ASN H 1.0 1.8 3.98 896 694 A 55 ASN HBy A 55 ASN HD22 1.0 1.8 3.10 897 694 A 55 ASN HD21 A 55 ASN HBx 1.0 1.8 3.10 898 694 A 55 ASN HD22 A 55 ASN HBx 1.0 1.8 3.10 899 694 A 55 ASN HBy A 55 ASN HD21 1.0 1.8 3.10 900 695 A 55 ASN H A 56 ASP H 1.0 1.8 3.58 901 696 A 57 LYS H A 56 ASP HBy 1.0 1.8 4.82 902 697 A 59 LEU HD1% A 56 ASP HBy 1.0 1.8 3.90 903 698 A 59 LEU HG A 56 ASP HBy 1.0 1.8 4.53 904 699 A 57 LYS H A 56 ASP HBx 1.0 1.8 4.82 905 700 A 59 LEU HD1% A 56 ASP HBx 1.0 1.8 3.90 906 701 A 59 LEU HG A 56 ASP HBx 1.0 1.8 4.53 907 702 A 58 ASN H A 56 ASP HBy 1.0 1.8 5.03 908 702 A 56 ASP HBx A 58 ASN H 1.0 1.8 5.03 909 703 A 59 LEU HG A 56 ASP HBy 1.0 1.8 3.79 910 703 A 59 LEU HG A 56 ASP HBx 1.0 1.8 3.79 911 704 A 59 LEU H A 56 ASP HBy 1.0 1.8 3.91 912 704 A 56 ASP HBx A 59 LEU H 1.0 1.8 3.91 913 705 A 56 ASP H A 56 ASP HBy 1.0 1.8 3.87 914 706 A 56 ASP H A 56 ASP HBx 1.0 1.8 3.87 915 707 A 56 ASP H A 59 LEU HD1% 1.0 1.8 4.38 916 708 A 57 LYS HA A 57 LYS HGy 1.0 1.8 3.99 917 709 A 57 LYS HA A 57 LYS HGx 1.0 1.8 3.99 918 710 A 57 LYS HA A 59 LEU H 1.0 1.8 4.44 919 711 A 58 ASN HA A 57 LYS HBx 1.0 1.8 4.69 920 711 A 57 LYS HBy A 58 ASN HA 1.0 1.8 4.69 921 712 A 58 ASN H A 57 LYS HBx 1.0 1.8 3.90 922 712 A 58 ASN H A 57 LYS HBy 1.0 1.8 3.90 923 713 A 57 LYS HGy A 57 LYS HEx 1.0 1.8 3.61 924 713 A 57 LYS HEy A 57 LYS HGy 1.0 1.8 3.61 925 714 A 57 LYS HEx A 57 LYS HGx 1.0 1.8 3.61 926 714 A 57 LYS HEy A 57 LYS HGx 1.0 1.8 3.61 927 715 A 57 LYS H A 57 LYS HBx 1.0 1.8 3.06 928 715 A 57 LYS H A 57 LYS HBy 1.0 1.8 3.06 929 716 A 57 LYS H A 57 LYS HDx 1.0 1.8 4.52 930 716 A 57 LYS H A 57 LYS HDy 1.0 1.8 4.52 931 717 A 57 LYS HGy A 57 LYS H 1.0 1.8 3.81 932 718 A 57 LYS H A 57 LYS HGx 1.0 1.8 3.81 933 719 A 57 LYS H A 58 ASN H 1.0 1.8 3.48 934 720 A 58 ASN HBy A 59 LEU HD2% 1.0 1.8 4.57 935 721 A 58 ASN HBy A 75 GLU HBx 1.0 1.8 4.75 936 721 A 58 ASN HBy A 75 GLU HBy 1.0 1.8 4.75 937 722 A 59 LEU HD2% A 58 ASN HBx 1.0 1.8 4.57 938 723 A 58 ASN H A 58 ASN HD2y 1.0 1.8 4.67 939 724 A 58 ASN H A 58 ASN HD2x 1.0 1.8 4.67 940 725 A 58 ASN H A 59 LEU HD2% 1.0 1.8 5.28 941 726 A 59 LEU HG A 58 ASN H 1.0 1.8 4.39 942 727 A 58 ASN H A 59 LEU H 1.0 1.8 3.12 943 728 A 59 LEU HD1% A 59 LEU HA 1.0 1.8 4.49 944 729 A 59 LEU HD2% A 59 LEU HA 1.0 1.8 3.16 945 730 A 60 SER H A 59 LEU HA 1.0 1.8 3.16 946 731 A 59 LEU HA A 73 SER HG 1.0 1.8 5.05 947 732 A 59 LEU HA A 75 GLU HBx 1.0 1.8 4.49 948 732 A 75 GLU HBy A 59 LEU HA 1.0 1.8 4.49 949 733 A 59 LEU HA A 76 LEU HBy 1.0 1.8 4.40 950 734 A 59 LEU HA A 76 LEU HBx 1.0 1.8 4.40 951 735 A 59 LEU HA A 76 LEU H 1.0 1.8 5.01 952 736 A 59 LEU HD1% A 59 LEU HBy 1.0 1.8 3.83 953 737 A 59 LEU HD2% A 59 LEU HBy 1.0 1.8 4.08 954 738 A 59 LEU HBx A 59 LEU HD1% 1.0 1.8 3.83 955 739 A 59 LEU HBx A 59 LEU HD2% 1.0 1.8 4.08 956 740 A 60 SER H A 59 LEU HBx 1.0 1.8 4.59 957 741 A 76 LEU HD1% A 59 LEU HBy 1.0 1.8 3.93 958 741 A 76 LEU HD1% A 59 LEU HBx 1.0 1.8 3.93 959 742 A 79 MET HE% A 59 LEU HD1% 1.0 1.8 3.93 960 743 A 60 SER H A 59 LEU HD2% 1.0 1.8 4.27 961 744 A 59 LEU HD2% A 75 GLU HA 1.0 1.8 4.50 962 745 A 59 LEU HD2% A 75 GLU HBy 1.0 1.8 3.75 963 746 A 59 LEU HD2% A 75 GLU HBx 1.0 1.8 3.75 964 747 A 59 LEU HD2% A 75 GLU HGy 1.0 1.8 4.59 965 748 A 59 LEU HD2% A 75 GLU HGx 1.0 1.8 4.59 966 749 A 59 LEU HD2% A 75 GLU H 1.0 1.8 4.70 967 750 A 59 LEU HD2% A 76 LEU HA 1.0 1.8 3.47 968 751 A 59 LEU HD2% A 76 LEU HBy 1.0 1.8 4.58 969 751 A 59 LEU HD2% A 76 LEU HBx 1.0 1.8 4.58 970 752 A 76 LEU HD1% A 59 LEU HD2% 1.0 1.8 3.58 971 753 A 59 LEU HD2% A 76 LEU H 1.0 1.8 4.42 972 754 A 59 LEU HD2% A 79 MET HGy 1.0 1.8 4.88 973 754 A 59 LEU HD2% A 79 MET HGx 1.0 1.8 4.88 974 755 A 59 LEU H A 59 LEU HBy 1.0 1.8 3.79 975 756 A 59 LEU HBx A 59 LEU H 1.0 1.8 3.27 976 757 A 59 LEU HD1% A 59 LEU H 1.0 1.8 3.97 977 758 A 59 LEU H A 59 LEU HD2% 1.0 1.8 3.91 978 759 A 59 LEU HG A 59 LEU H 1.0 1.8 3.41 979 760 A 60 SER H A 59 LEU H 1.0 1.8 4.34 980 761 A 61 PHE H A 60 SER HA 1.0 1.8 3.09 981 762 A 76 LEU HD2% A 60 SER HA 1.0 1.8 4.99 982 763 A 61 PHE H A 60 SER HBy 1.0 1.8 3.91 983 764 A 61 PHE H A 60 SER HBx 1.0 1.8 3.91 984 765 A 61 PHE H A 60 SER HBx 1.0 1.8 3.59 985 765 A 61 PHE H A 60 SER HBy 1.0 1.8 3.59 986 766 A 60 SER HBy A 60 SER H 1.0 1.8 4.10 987 767 A 60 SER H A 60 SER HBx 1.0 1.8 4.10 988 768 A 61 PHE H A 60 SER H 1.0 1.8 4.88 989 769 A 60 SER H A 73 SER HBx 1.0 1.8 4.46 990 769 A 60 SER H A 73 SER HBy 1.0 1.8 4.46 991 770 A 60 SER H A 73 SER HG 1.0 1.8 4.21 992 771 A 60 SER H A 73 SER H 1.0 1.8 4.78 993 772 A 60 SER H A 76 LEU HBy 1.0 1.8 5.00 994 772 A 60 SER H A 76 LEU HBx 1.0 1.8 5.00 995 773 A 76 LEU HD2% A 60 SER H 1.0 1.8 4.50 996 774 A 60 SER H A 76 LEU H 1.0 1.8 5.00 997 775 A 61 PHE HA A 61 PHE HD% 1.0 1.8 5.33 998 776 A 61 PHE HA A 62 THR H 1.0 1.8 3.18 999 777 A 61 PHE HA A 72 SER HA 1.0 1.8 4.00 1000 778 A 61 PHE HA A 72 SER HBx 1.0 1.8 5.00 1001 778 A 61 PHE HA A 72 SER HBy 1.0 1.8 5.00 1002 779 A 73 SER H A 61 PHE HA 1.0 1.8 4.12 1003 780 A 76 LEU HD2% A 61 PHE HA 1.0 1.8 5.00 1004 781 A 62 THR H A 61 PHE HBx 1.0 1.8 3.88 1005 781 A 62 THR H A 61 PHE HBy 1.0 1.8 3.88 1006 782 A 72 SER HA A 61 PHE HBx 1.0 1.8 5.00 1007 782 A 72 SER HA A 61 PHE HBy 1.0 1.8 5.00 1008 783 A 61 PHE HBx A 72 SER HBx 1.0 1.8 5.00 1009 783 A 61 PHE HBy A 72 SER HBx 1.0 1.8 5.00 1010 783 A 72 SER HBy A 61 PHE HBx 1.0 1.8 5.00 1011 783 A 72 SER HBy A 61 PHE HBy 1.0 1.8 5.00 1012 784 A 76 LEU HD2% A 61 PHE HBx 1.0 1.8 4.35 1013 784 A 76 LEU HD2% A 61 PHE HBy 1.0 1.8 4.35 1014 785 A 62 THR HA A 61 PHE HD% 1.0 1.8 4.31 1015 786 A 61 PHE HD% A 62 THR H 1.0 1.8 4.38 1016 787 A 63 ALA H A 61 PHE HD% 1.0 1.8 5.50 1017 788 A 76 LEU HD1% A 61 PHE HD% 1.0 1.8 5.00 1018 789 A 76 LEU HD2% A 61 PHE HD% 1.0 1.8 3.66 1019 790 A 61 PHE H A 61 PHE HD% 1.0 1.8 5.00 1020 791 A 76 LEU HD2% A 61 PHE H 1.0 1.8 4.58 1021 792 A 62 THR HG2% A 62 THR HA 1.0 1.8 3.49 1022 793 A 63 ALA H A 62 THR HA 1.0 1.8 3.24 1023 794 A 63 ALA H A 62 THR HB 1.0 1.8 5.14 1024 795 A 62 THR HG2% A 63 ALA HA 1.0 1.8 5.00 1025 796 A 62 THR HG2% A 63 ALA H 1.0 1.8 3.97 1026 797 A 62 THR HG2% A 64 GLY H 1.0 1.8 5.50 1027 798 A 62 THR HG2% A 71 SER HBx 1.0 1.8 4.52 1028 798 A 62 THR HG2% A 71 SER HBy 1.0 1.8 4.52 1029 799 A 62 THR HG2% A 71 SER H 1.0 1.8 4.45 1030 800 A 62 THR H A 62 THR HB 1.0 1.8 3.74 1031 801 A 62 THR HG2% A 62 THR H 1.0 1.8 4.04 1032 802 A 62 THR H A 72 SER HA 1.0 1.8 5.00 1033 803 A 76 LEU HD2% A 62 THR H 1.0 1.8 5.35 1034 804 A 63 ALA HA A 64 GLY H 1.0 1.8 3.13 1035 805 A 63 ALA HA A 70 PHE HA 1.0 1.8 3.70 1036 806 A 63 ALA HA A 70 PHE HD% 1.0 1.8 4.73 1037 807 A 63 ALA HA A 71 SER H 1.0 1.8 4.12 1038 808 A 63 ALA HB% A 64 GLY HAx 1.0 1.8 4.49 1039 808 A 63 ALA HB% A 64 GLY HAy 1.0 1.8 4.49 1040 809 A 63 ALA HB% A 64 GLY H 1.0 1.8 3.69 1041 810 A 63 ALA HB% A 67 VAL HA 1.0 1.8 4.26 1042 811 A 63 ALA HB% A 67 VAL HG1% 1.0 1.8 4.07 1043 812 A 67 VAL HG2% A 63 ALA HB% 1.0 1.8 4.44 1044 813 A 63 ALA HB% A 70 PHE HA 1.0 1.8 4.76 1045 814 A 63 ALA HB% A 70 PHE HD% 1.0 1.8 4.41 1046 815 A 63 ALA HB% A 63 ALA H 1.0 1.8 3.62 1047 816 A 63 ALA H A 64 GLY H 1.0 1.8 5.09 1048 817 A 69 ILE HB A 64 GLY HAx 1.0 1.8 5.17 1049 817 A 64 GLY HAy A 69 ILE HB 1.0 1.8 5.17 1050 818 A 69 ILE HD1% A 64 GLY HAx 1.0 1.8 5.50 1051 818 A 64 GLY HAy A 69 ILE HD1% 1.0 1.8 5.50 1052 819 A 64 GLY H A 67 VAL HA 1.0 1.8 5.00 1053 820 A 64 GLY H A 69 ILE HB 1.0 1.8 4.90 1054 821 A 64 GLY H A 69 ILE HG2% 1.0 1.8 5.45 1055 822 A 64 GLY H A 69 ILE H 1.0 1.8 5.00 1056 823 A 65 LYS HA A 65 LYS HEx 1.0 1.8 4.90 1057 823 A 65 LYS HEy A 65 LYS HA 1.0 1.8 4.90 1058 824 A 65 LYS HA A 65 LYS HGx 1.0 1.8 3.47 1059 824 A 65 LYS HGy A 65 LYS HA 1.0 1.8 3.47 1060 825 A 65 LYS HEy A 65 LYS HGx 1.0 1.8 3.29 1061 825 A 65 LYS HEx A 65 LYS HGx 1.0 1.8 3.29 1062 825 A 65 LYS HGy A 65 LYS HEx 1.0 1.8 3.29 1063 825 A 65 LYS HEy A 65 LYS HGy 1.0 1.8 3.29 1064 826 A 65 LYS H A 65 LYS HBx 1.0 1.8 3.64 1065 826 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.64 1066 827 A 65 LYS H A 65 LYS HGx 1.0 1.8 4.52 1067 827 A 65 LYS HGy A 65 LYS H 1.0 1.8 4.52 1068 828 A 67 VAL HG1% A 67 VAL HA 1.0 1.8 3.57 1069 829 A 67 VAL HG2% A 67 VAL HA 1.0 1.8 3.94 1070 830 A 67 VAL HB A 87 TYR HBy 1.0 1.8 5.40 1071 831 A 67 VAL HB A 87 TYR HBx 1.0 1.8 5.40 1072 832 A 67 VAL HG1% A 68 LYS H 1.0 1.8 5.11 1073 833 A 67 VAL HG1% A 70 PHE HBx 1.0 1.8 4.79 1074 833 A 67 VAL HG1% A 70 PHE HBy 1.0 1.8 4.79 1075 834 A 67 VAL HG1% A 70 PHE HD% 1.0 1.8 3.92 1076 835 A 67 VAL HG1% A 87 TYR H 1.0 1.8 4.97 1077 836 A 67 VAL HG2% A 68 LYS H 1.0 1.8 5.50 1078 837 A 67 VAL HG2% A 87 TYR HA 1.0 1.8 5.50 1079 838 A 67 VAL HG2% A 87 TYR HBy 1.0 1.8 4.34 1080 838 A 67 VAL HG2% A 87 TYR HBx 1.0 1.8 4.34 1081 839 A 67 VAL HG2% A 87 TYR H 1.0 1.8 5.38 1082 840 A 67 VAL HG1% A 67 VAL H 1.0 1.8 4.94 1083 841 A 67 VAL HG2% A 67 VAL H 1.0 1.8 4.11 1084 842 A 68 LYS H A 67 VAL H 1.0 1.8 4.25 1085 843 A 68 LYS HA A 68 LYS HDx 1.0 1.8 4.44 1086 843 A 68 LYS HA A 68 LYS HDy 1.0 1.8 4.44 1087 844 A 68 LYS HA A 68 LYS HGx 1.0 1.8 3.33 1088 844 A 68 LYS HA A 68 LYS HGy 1.0 1.8 3.33 1089 845 A 68 LYS HBy A 68 LYS HDx 1.0 1.8 3.12 1090 845 A 68 LYS HDy A 68 LYS HBx 1.0 1.8 3.12 1091 845 A 68 LYS HDy A 68 LYS HBy 1.0 1.8 3.12 1092 845 A 68 LYS HBx A 68 LYS HDx 1.0 1.8 3.12 1093 846 A 68 LYS HBy A 68 LYS HEx 1.0 1.8 4.17 1094 846 A 68 LYS HBx A 68 LYS HEx 1.0 1.8 4.17 1095 846 A 68 LYS HEy A 68 LYS HBx 1.0 1.8 4.17 1096 846 A 68 LYS HBy A 68 LYS HEy 1.0 1.8 4.17 1097 847 A 69 ILE HD1% A 68 LYS HBx 1.0 1.8 4.48 1098 847 A 69 ILE HD1% A 68 LYS HBy 1.0 1.8 4.48 1099 848 A 69 ILE H A 68 LYS HBx 1.0 1.8 4.57 1100 848 A 69 ILE H A 68 LYS HBy 1.0 1.8 4.57 1101 849 A 68 LYS HGy A 68 LYS HEy 1.0 1.8 3.58 1102 849 A 68 LYS HGy A 68 LYS HEx 1.0 1.8 3.58 1103 850 A 68 LYS HEy A 68 LYS HGx 1.0 1.8 3.58 1104 850 A 68 LYS HEx A 68 LYS HGx 1.0 1.8 3.58 1105 851 A 68 LYS H A 68 LYS HBx 1.0 1.8 3.39 1106 851 A 68 LYS H A 68 LYS HBy 1.0 1.8 3.39 1107 852 A 68 LYS H A 68 LYS HDx 1.0 1.8 4.99 1108 852 A 68 LYS H A 68 LYS HDy 1.0 1.8 4.99 1109 853 A 69 ILE H A 68 LYS H 1.0 1.8 4.31 1110 854 A 69 ILE HD1% A 69 ILE HA 1.0 1.8 4.32 1111 855 A 69 ILE HA A 69 ILE HG1y 1.0 1.8 4.18 1112 856 A 69 ILE HA A 69 ILE HG1x 1.0 1.8 4.18 1113 857 A 69 ILE HG2% A 69 ILE HA 1.0 1.8 3.42 1114 858 A 69 ILE HA A 70 PHE H 1.0 1.8 3.11 1115 859 A 69 ILE HB A 69 ILE HD1% 1.0 1.8 3.60 1116 860 A 69 ILE HB A 70 PHE H 1.0 1.8 4.78 1117 861 A 70 PHE H A 69 ILE HG1y 1.0 1.8 5.00 1118 861 A 70 PHE H A 69 ILE HG1x 1.0 1.8 5.00 1119 862 A 69 ILE HG2% A 69 ILE HG1y 1.0 1.8 3.22 1120 862 A 69 ILE HG2% A 69 ILE HG1x 1.0 1.8 3.22 1121 863 A 70 PHE HA A 69 ILE HG2% 1.0 1.8 4.30 1122 864 A 69 ILE HG2% A 70 PHE H 1.0 1.8 3.71 1123 865 A 69 ILE HG2% A 71 SER HBx 1.0 1.8 4.55 1124 865 A 71 SER HBy A 69 ILE HG2% 1.0 1.8 4.55 1125 866 A 69 ILE HD1% A 69 ILE H 1.0 1.8 4.89 1126 867 A 69 ILE H A 69 ILE HG1y 1.0 1.8 4.44 1127 867 A 69 ILE H A 69 ILE HG1x 1.0 1.8 4.44 1128 868 A 70 PHE HA A 70 PHE HD% 1.0 1.8 3.91 1129 869 A 71 SER H A 70 PHE HA 1.0 1.8 3.03 1130 870 A 70 PHE HD% A 71 SER HA 1.0 1.8 4.67 1131 871 A 71 SER H A 70 PHE HD% 1.0 1.8 4.36 1132 872 A 70 PHE H A 70 PHE HBx 1.0 1.8 3.67 1133 872 A 70 PHE HBy A 70 PHE H 1.0 1.8 3.67 1134 873 A 70 PHE HD% A 70 PHE H 1.0 1.8 4.99 1135 874 A 71 SER HA A 72 SER H 1.0 1.8 2.84 1136 875 A 71 SER HBy A 72 SER H 1.0 1.8 5.21 1137 876 A 72 SER H A 71 SER HBx 1.0 1.8 5.21 1138 877 A 71 SER H A 71 SER HBx 1.0 1.8 3.43 1139 877 A 71 SER HBy A 71 SER H 1.0 1.8 3.43 1140 878 A 73 SER H A 72 SER HA 1.0 1.8 3.30 1141 879 A 76 LEU HD2% A 72 SER HA 1.0 1.8 4.21 1142 880 A 73 SER H A 72 SER HBy 1.0 1.8 4.02 1143 881 A 76 LEU HBx A 72 SER HBy 1.0 1.8 4.38 1144 881 A 72 SER HBy A 76 LEU HBy 1.0 1.8 4.38 1145 882 A 76 LEU HD2% A 72 SER HBy 1.0 1.8 3.90 1146 883 A 72 SER HBy A 76 LEU HG 1.0 1.8 5.08 1147 884 A 73 SER H A 72 SER HBx 1.0 1.8 4.02 1148 885 A 76 LEU HBx A 72 SER HBx 1.0 1.8 4.38 1149 885 A 72 SER HBx A 76 LEU HBy 1.0 1.8 4.38 1150 886 A 76 LEU HD2% A 72 SER HBx 1.0 1.8 3.90 1151 887 A 76 LEU HG A 72 SER HBx 1.0 1.8 5.08 1152 888 A 73 SER H A 72 SER HBx 1.0 1.8 3.78 1153 888 A 73 SER H A 72 SER HBy 1.0 1.8 3.78 1154 889 A 76 LEU HG A 72 SER HBx 1.0 1.8 4.29 1155 889 A 72 SER HBy A 76 LEU HG 1.0 1.8 4.29 1156 890 A 72 SER HBy A 77 ASP HBy 1.0 1.8 4.68 1157 890 A 72 SER HBx A 77 ASP HBy 1.0 1.8 4.68 1158 890 A 77 ASP HBx A 72 SER HBx 1.0 1.8 4.68 1159 890 A 72 SER HBy A 77 ASP HBx 1.0 1.8 4.68 1160 891 A 72 SER HBy A 72 SER H 1.0 1.8 4.19 1161 892 A 72 SER H A 72 SER HBx 1.0 1.8 4.19 1162 893 A 73 SER HA A 74 GLU HBx 1.0 1.8 5.17 1163 893 A 73 SER HA A 74 GLU HBy 1.0 1.8 5.17 1164 894 A 73 SER HA A 74 GLU H 1.0 1.8 3.17 1165 895 A 75 GLU H A 73 SER HBy 1.0 1.8 4.73 1166 896 A 75 GLU H A 73 SER HBx 1.0 1.8 4.73 1167 897 A 74 GLU H A 73 SER HBx 1.0 1.8 3.79 1168 897 A 73 SER HBy A 74 GLU H 1.0 1.8 3.79 1169 898 A 73 SER HG A 76 LEU H 1.0 1.8 4.59 1170 899 A 73 SER H A 73 SER HBx 1.0 1.8 3.62 1171 899 A 73 SER HBy A 73 SER H 1.0 1.8 3.62 1172 900 A 73 SER H A 74 GLU H 1.0 1.8 4.64 1173 901 A 73 SER H A 76 LEU HBy 1.0 1.8 4.75 1174 902 A 76 LEU HBx A 73 SER H 1.0 1.8 4.73 1175 903 A 76 LEU HD2% A 73 SER H 1.0 1.8 4.92 1176 904 A 74 GLU HA A 74 GLU HGy 1.0 1.8 3.93 1177 905 A 74 GLU HA A 74 GLU HGx 1.0 1.8 3.93 1178 906 A 74 GLU HA A 77 ASP HBy 1.0 1.8 3.80 1179 907 A 77 ASP HBx A 74 GLU HA 1.0 1.8 3.80 1180 908 A 74 GLU HA A 77 ASP H 1.0 1.8 3.95 1181 909 A 74 GLU HA A 78 LYS H 1.0 1.8 5.00 1182 910 A 75 GLU H A 74 GLU HBy 1.0 1.8 4.09 1183 911 A 75 GLU H A 74 GLU HBx 1.0 1.8 4.09 1184 912 A 75 GLU H A 74 GLU HBx 1.0 1.8 3.57 1185 912 A 75 GLU H A 74 GLU HBy 1.0 1.8 3.57 1186 913 A 74 GLU HBy A 74 GLU H 1.0 1.8 3.82 1187 914 A 74 GLU H A 74 GLU HBx 1.0 1.8 3.82 1188 915 A 74 GLU H A 74 GLU HGy 1.0 1.8 4.18 1189 915 A 74 GLU H A 74 GLU HGx 1.0 1.8 4.18 1190 916 A 75 GLU H A 74 GLU H 1.0 1.8 3.64 1191 917 A 75 GLU HA A 75 GLU HGy 1.0 1.8 3.80 1192 918 A 75 GLU HA A 75 GLU HGx 1.0 1.8 3.80 1193 919 A 75 GLU HA A 78 LYS HEx 1.0 1.8 4.28 1194 919 A 75 GLU HA A 78 LYS HEy 1.0 1.8 4.28 1195 920 A 75 GLU HA A 78 LYS HGx 1.0 1.8 4.78 1196 920 A 75 GLU HA A 78 LYS HGy 1.0 1.8 4.78 1197 921 A 75 GLU HA A 78 LYS H 1.0 1.8 4.26 1198 922 A 76 LEU H A 75 GLU HBx 1.0 1.8 3.63 1199 922 A 75 GLU HBy A 76 LEU H 1.0 1.8 3.63 1200 923 A 75 GLU HBy A 75 GLU H 1.0 1.8 3.89 1201 924 A 75 GLU H A 75 GLU HBx 1.0 1.8 3.89 1202 925 A 75 GLU H A 75 GLU HGy 1.0 1.8 3.85 1203 926 A 75 GLU H A 75 GLU HGy 1.0 1.8 3.33 1204 926 A 75 GLU H A 75 GLU HGx 1.0 1.8 3.33 1205 927 A 75 GLU H A 75 GLU HGx 1.0 1.8 3.85 1206 928 A 76 LEU H A 75 GLU H 1.0 1.8 3.45 1207 929 A 76 LEU HD1% A 76 LEU HA 1.0 1.8 3.17 1208 930 A 76 LEU HD2% A 76 LEU HA 1.0 1.8 4.61 1209 931 A 76 LEU HA A 76 LEU HG 1.0 1.8 4.13 1210 932 A 76 LEU HA A 77 ASP HBy 1.0 1.8 5.50 1211 932 A 76 LEU HA A 77 ASP HBx 1.0 1.8 5.50 1212 933 A 76 LEU HA A 79 MET HGy 1.0 1.8 4.21 1213 933 A 76 LEU HA A 79 MET HGx 1.0 1.8 4.21 1214 934 A 76 LEU HA A 79 MET H 1.0 1.8 5.00 1215 935 A 76 LEU HD1% A 76 LEU HBy 1.0 1.8 3.89 1216 936 A 76 LEU HD2% A 76 LEU HBy 1.0 1.8 3.83 1217 937 A 77 ASP H A 76 LEU HBy 1.0 1.8 3.88 1218 938 A 76 LEU HBx A 77 ASP H 1.0 1.8 4.35 1219 939 A 76 LEU HD1% A 79 MET HBy 1.0 1.8 4.80 1220 940 A 76 LEU HD1% A 79 MET HBx 1.0 1.8 4.80 1221 941 A 76 LEU HD1% A 79 MET HGy 1.0 1.8 4.88 1222 941 A 76 LEU HD1% A 79 MET HGx 1.0 1.8 4.88 1223 942 A 76 LEU HD1% A 79 MET H 1.0 1.8 4.39 1224 943 A 76 LEU HG A 77 ASP HA 1.0 1.8 4.82 1225 944 A 80 PHE HD% A 76 LEU HG 1.0 1.8 5.06 1226 945 A 76 LEU H A 76 LEU HBy 1.0 1.8 3.34 1227 946 A 76 LEU H A 76 LEU HBx 1.0 1.8 3.34 1228 947 A 76 LEU H A 77 ASP HBy 1.0 1.8 5.50 1229 947 A 76 LEU H A 77 ASP HBx 1.0 1.8 5.50 1230 948 A 76 LEU H A 77 ASP H 1.0 1.8 3.29 1231 949 A 79 MET H A 77 ASP HA 1.0 1.8 4.57 1232 950 A 80 PHE HD% A 77 ASP HA 1.0 1.8 4.32 1233 951 A 80 PHE H A 77 ASP HA 1.0 1.8 4.32 1234 952 A 78 LYS H A 77 ASP HBy 1.0 1.8 4.05 1235 953 A 77 ASP HBx A 78 LYS H 1.0 1.8 4.05 1236 954 A 77 ASP H A 77 ASP HBy 1.0 1.8 3.59 1237 955 A 77 ASP HBx A 77 ASP H 1.0 1.8 3.59 1238 956 A 77 ASP H A 78 LYS H 1.0 1.8 3.51 1239 957 A 78 LYS HA A 78 LYS HDx 1.0 1.8 4.54 1240 957 A 78 LYS HA A 78 LYS HDy 1.0 1.8 4.54 1241 958 A 78 LYS HGy A 78 LYS HA 1.0 1.8 4.01 1242 959 A 78 LYS HA A 78 LYS HGx 1.0 1.8 4.01 1243 960 A 78 LYS HBx A 79 MET HGy 1.0 1.8 5.18 1244 960 A 78 LYS HBy A 79 MET HGy 1.0 1.8 5.18 1245 960 A 79 MET HGx A 78 LYS HBy 1.0 1.8 5.18 1246 960 A 79 MET HGx A 78 LYS HBx 1.0 1.8 5.18 1247 961 A 79 MET H A 78 LYS HBy 1.0 1.8 3.99 1248 961 A 79 MET H A 78 LYS HBx 1.0 1.8 3.99 1249 962 A 78 LYS HEy A 78 LYS HGx 1.0 1.8 3.02 1250 962 A 78 LYS HGy A 78 LYS HEx 1.0 1.8 3.02 1251 962 A 78 LYS HEy A 78 LYS HGy 1.0 1.8 3.02 1252 962 A 78 LYS HEx A 78 LYS HGx 1.0 1.8 3.02 1253 963 A 79 MET H A 78 LYS HGx 1.0 1.8 4.92 1254 963 A 78 LYS HGy A 79 MET H 1.0 1.8 4.92 1255 964 A 78 LYS H A 78 LYS HBy 1.0 1.8 3.65 1256 965 A 78 LYS H A 78 LYS HBx 1.0 1.8 3.65 1257 966 A 78 LYS H A 78 LYS HDx 1.0 1.8 4.47 1258 966 A 78 LYS H A 78 LYS HDy 1.0 1.8 4.47 1259 967 A 78 LYS H A 78 LYS HGy 1.0 1.8 3.87 1260 968 A 78 LYS H A 78 LYS HGx 1.0 1.8 3.87 1261 969 A 78 LYS H A 79 MET H 1.0 1.8 3.33 1262 970 A 79 MET HE% A 79 MET HA 1.0 1.8 4.07 1263 971 A 79 MET HA A 79 MET HGy 1.0 1.8 3.87 1264 972 A 79 MET HA A 79 MET HGx 1.0 1.8 3.87 1265 973 A 79 MET HE% A 79 MET HBy 1.0 1.8 3.47 1266 973 A 79 MET HE% A 79 MET HBx 1.0 1.8 3.47 1267 974 A 80 PHE H A 79 MET HBy 1.0 1.8 4.26 1268 974 A 80 PHE H A 79 MET HBx 1.0 1.8 4.26 1269 975 A 79 MET HE% A 79 MET HGy 1.0 1.8 4.15 1270 976 A 79 MET HE% A 79 MET HGx 1.0 1.8 4.15 1271 977 A 80 PHE H A 79 MET HGy 1.0 1.8 4.97 1272 977 A 80 PHE H A 79 MET HGx 1.0 1.8 4.97 1273 978 A 79 MET H A 79 MET HBy 1.0 1.8 3.86 1274 979 A 79 MET H A 79 MET HBx 1.0 1.8 3.86 1275 980 A 79 MET H A 79 MET HGy 1.0 1.8 3.94 1276 981 A 79 MET HGx A 79 MET H 1.0 1.8 3.94 1277 982 A 80 PHE H A 79 MET H 1.0 1.8 3.23 1278 983 A 80 PHE HD% A 80 PHE HA 1.0 1.8 4.15 1279 984 A 80 PHE HA A 81 GLN HBx 1.0 1.8 5.03 1280 984 A 80 PHE HA A 81 GLN HBy 1.0 1.8 5.03 1281 985 A 80 PHE HA A 81 GLN H 1.0 1.8 3.09 1282 986 A 81 GLN H A 80 PHE HBy 1.0 1.8 4.58 1283 987 A 81 GLN H A 80 PHE HBx 1.0 1.8 4.58 1284 988 A 80 PHE HD% A 81 GLN H 1.0 1.8 5.32 1285 989 A 80 PHE H A 80 PHE HBy 1.0 1.8 3.61 1286 990 A 80 PHE H A 80 PHE HBx 1.0 1.8 3.61 1287 991 A 80 PHE H A 81 GLN H 1.0 1.8 4.80 1288 992 A 81 GLN HA A 81 GLN HGy 1.0 1.8 4.23 1289 993 A 81 GLN HA A 81 GLN HGx 1.0 1.8 4.23 1290 994 A 81 GLN H A 81 GLN HGy 1.0 1.8 5.00 1291 995 A 81 GLN H A 81 GLN HGx 1.0 1.8 5.00 1292 996 A 83 PRO HA A 82 GLU HBx 1.0 1.8 4.86 1293 996 A 82 GLU HBy A 83 PRO HA 1.0 1.8 4.86 1294 997 A 82 GLU H A 82 GLU HGx 1.0 1.8 3.80 1295 997 A 82 GLU H A 82 GLU HGy 1.0 1.8 3.80 1296 998 A 83 PRO HA A 84 ARG H 1.0 1.8 3.03 1297 999 A 84 ARG H A 83 PRO HBy 1.0 1.8 4.43 1298 1000 A 84 ARG H A 83 PRO HBx 1.0 1.8 4.43 1299 1001 A 84 ARG HA A 84 ARG HGx 1.0 1.8 3.85 1300 1001 A 84 ARG HA A 84 ARG HGy 1.0 1.8 3.85 1301 1002 A 85 LYS H A 84 ARG HA 1.0 1.8 3.11 1302 1003 A 85 LYS H A 84 ARG HBy 1.0 1.8 4.69 1303 1004 A 85 LYS H A 84 ARG HBx 1.0 1.8 4.69 1304 1005 A 84 ARG HBy A 84 ARG HDx 1.0 1.8 3.18 1305 1005 A 84 ARG HBx A 84 ARG HDx 1.0 1.8 3.18 1306 1005 A 84 ARG HDy A 84 ARG HBy 1.0 1.8 3.18 1307 1005 A 84 ARG HBx A 84 ARG HDy 1.0 1.8 3.18 1308 1006 A 84 ARG HE A 84 ARG HGx 1.0 1.8 3.53 1309 1006 A 84 ARG HGy A 84 ARG HE 1.0 1.8 3.53 1310 1007 A 85 LYS H A 84 ARG HGx 1.0 1.8 4.92 1311 1007 A 85 LYS H A 84 ARG HGy 1.0 1.8 4.92 1312 1008 A 84 ARG H A 84 ARG HDx 1.0 1.8 4.73 1313 1008 A 84 ARG H A 84 ARG HDy 1.0 1.8 4.73 1314 1009 A 84 ARG H A 84 ARG HGx 1.0 1.8 3.72 1315 1009 A 84 ARG H A 84 ARG HGy 1.0 1.8 3.72 1316 1010 A 85 LYS HA A 85 LYS HDx 1.0 1.8 4.23 1317 1010 A 85 LYS HA A 85 LYS HDy 1.0 1.8 4.23 1318 1011 A 85 LYS HA A 85 LYS HGy 1.0 1.8 3.81 1319 1012 A 85 LYS HA A 85 LYS HGx 1.0 1.8 3.81 1320 1013 A 85 LYS HA A 86 GLY H 1.0 1.8 3.95 1321 1014 A 85 LYS HDy A 89 GLU HGy 1.0 1.8 4.55 1322 1014 A 89 GLU HGx A 85 LYS HDx 1.0 1.8 4.55 1323 1014 A 85 LYS HDy A 89 GLU HGx 1.0 1.8 4.55 1324 1014 A 85 LYS HDx A 89 GLU HGy 1.0 1.8 4.55 1325 1015 A 85 LYS HEy A 85 LYS HGy 1.0 1.8 4.05 1326 1015 A 85 LYS HGy A 85 LYS HEx 1.0 1.8 4.05 1327 1016 A 85 LYS HEy A 85 LYS HGx 1.0 1.8 4.05 1328 1016 A 85 LYS HEx A 85 LYS HGx 1.0 1.8 4.05 1329 1017 A 85 LYS HGy A 89 GLU HBx 1.0 1.8 5.00 1330 1017 A 89 GLU HBy A 85 LYS HGx 1.0 1.8 5.00 1331 1017 A 85 LYS HGy A 89 GLU HBy 1.0 1.8 5.00 1332 1017 A 85 LYS HGx A 89 GLU HBx 1.0 1.8 5.00 1333 1018 A 85 LYS H A 86 GLY H 1.0 1.8 6.34 1334 1019 A 88 ASP H A 86 GLY HAx 1.0 1.8 4.90 1335 1019 A 86 GLY HAy A 88 ASP H 1.0 1.8 4.90 1336 1020 A 89 GLU H A 86 GLY HAx 1.0 1.8 5.20 1337 1020 A 86 GLY HAy A 89 GLU H 1.0 1.8 5.20 1338 1021 A 86 GLY H A 89 GLU HBy 1.0 1.8 4.27 1339 1022 A 86 GLY H A 89 GLU HBx 1.0 1.8 4.27 1340 1023 A 86 GLY H A 89 GLU H 1.0 1.8 5.00 1341 1024 A 87 TYR HD% A 87 TYR HA 1.0 1.8 3.81 1342 1025 A 90 ILE HB A 87 TYR HA 1.0 1.8 4.95 1343 1026 A 90 ILE HG2% A 87 TYR HA 1.0 1.8 4.00 1344 1027 A 87 TYR HA A 90 ILE H 1.0 1.8 4.64 1345 1028 A 88 ASP H A 87 TYR HBy 1.0 1.8 4.24 1346 1029 A 87 TYR HBx A 88 ASP H 1.0 1.8 4.24 1347 1030 A 87 TYR HD% A 88 ASP HA 1.0 1.8 4.49 1348 1031 A 87 TYR HD% A 88 ASP H 1.0 1.8 4.01 1349 1032 A 87 TYR HD% A 90 ILE HG2% 1.0 1.8 5.00 1350 1033 A 87 TYR HD% A 91 LEU HD1% 1.0 1.8 5.00 1351 1034 A 87 TYR HD% A 91 LEU HD2% 1.0 1.8 5.00 1352 1035 A 87 TYR HE% A 91 LEU HD1% 1.0 1.8 5.00 1353 1036 A 87 TYR HE% A 91 LEU HD2% 1.0 1.8 5.00 1354 1037 A 87 TYR H A 87 TYR HBy 1.0 1.8 3.91 1355 1038 A 87 TYR H A 87 TYR HBx 1.0 1.8 3.91 1356 1039 A 87 TYR HD% A 87 TYR H 1.0 1.8 4.53 1357 1040 A 87 TYR H A 88 ASP H 1.0 1.8 3.64 1358 1041 A 88 ASP HA A 91 LEU HBy 1.0 1.8 4.68 1359 1041 A 88 ASP HA A 91 LEU HBx 1.0 1.8 4.68 1360 1042 A 88 ASP HA A 91 LEU HD1% 1.0 1.8 5.10 1361 1043 A 88 ASP HA A 91 LEU HG 1.0 1.8 5.00 1362 1044 A 88 ASP HA A 91 LEU H 1.0 1.8 4.49 1363 1045 A 88 ASP H A 89 GLU H 1.0 1.8 3.32 1364 1046 A 88 ASP H A 90 ILE H 1.0 1.8 4.61 1365 1047 A 89 GLU HA A 89 GLU HGy 1.0 1.8 3.76 1366 1048 A 89 GLU HGx A 89 GLU HA 1.0 1.8 3.76 1367 1049 A 89 GLU HBy A 90 ILE H 1.0 1.8 3.97 1368 1050 A 90 ILE H A 89 GLU HBx 1.0 1.8 3.97 1369 1051 A 90 ILE H A 89 GLU HBx 1.0 1.8 3.47 1370 1051 A 89 GLU HBy A 90 ILE H 1.0 1.8 3.47 1371 1052 A 89 GLU HBy A 89 GLU H 1.0 1.8 3.82 1372 1053 A 89 GLU H A 89 GLU HBx 1.0 1.8 3.82 1373 1054 A 89 GLU H A 89 GLU HGy 1.0 1.8 4.20 1374 1054 A 89 GLU HGx A 89 GLU H 1.0 1.8 4.20 1375 1055 A 89 GLU H A 90 ILE H 1.0 1.8 3.35 1376 1056 A 90 ILE HD1% A 90 ILE HA 1.0 1.8 4.18 1377 1057 A 90 ILE HA A 90 ILE HG1x 1.0 1.8 3.55 1378 1057 A 90 ILE HA A 90 ILE HG1y 1.0 1.8 3.55 1379 1058 A 90 ILE HD1% A 90 ILE HB 1.0 1.8 3.61 1380 1059 A 90 ILE HB A 91 LEU H 1.0 1.8 4.47 1381 1060 A 90 ILE HD1% A 91 LEU H 1.0 1.8 5.08 1382 1061 A 90 ILE HD1% A 90 ILE HG2% 1.0 1.8 3.23 1383 1062 A 90 ILE HG2% A 90 ILE HG1x 1.0 1.8 3.38 1384 1063 A 90 ILE HG2% A 90 ILE HG1y 1.0 1.8 3.38 1385 1064 A 90 ILE HG2% A 91 LEU H 1.0 1.8 4.60 1386 1065 A 90 ILE HB A 90 ILE H 1.0 1.8 3.78 1387 1066 A 90 ILE HD1% A 90 ILE H 1.0 1.8 3.94 1388 1067 A 90 ILE HG2% A 90 ILE H 1.0 1.8 3.83 1389 1068 A 90 ILE H A 91 LEU H 1.0 1.8 3.31 1390 1069 A 91 LEU HA A 91 LEU HD1% 1.0 1.8 4.55 1391 1070 A 91 LEU HA A 91 LEU HD2% 1.0 1.8 4.10 1392 1071 A 91 LEU HA A 91 LEU HG 1.0 1.8 3.89 1393 1072 A 91 LEU HD1% A 92 GLU H 1.0 1.8 5.38 1394 1073 A 91 LEU HD2% A 92 GLU H 1.0 1.8 5.50 1395 1074 A 91 LEU H A 91 LEU HBy 1.0 1.8 3.66 1396 1075 A 91 LEU HBx A 91 LEU H 1.0 1.8 3.66 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 12 ALA C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -94.7500 -34.7500 PHI 2 2 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 -81.1500 -1.1500 PSI 3 3 A 13 PHE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -95.5500 -35.5500 PHI 4 4 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 ASN N 1.0 -83.2000 -3.2000 PSI 5 5 A 14 PHE C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -93.0200 -33.0200 PHI 6 6 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 GLU N 1.0 -78.5900 1.4100 PSI 7 7 A 15 ASN C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -94.7500 -34.7500 PHI 8 8 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLN N 1.0 -82.0900 -2.0900 PSI 9 9 A 16 GLU C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -93.9300 -33.9300 PHI 10 10 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 LYS N 1.0 -82.7100 -2.7100 PSI 11 11 A 17 GLN C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -95.7000 -35.7000 PHI 12 12 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 GLU N 1.0 -80.2700 -0.2700 PSI 13 13 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -91.7500 -31.7500 PHI 14 14 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LYS N 1.0 -81.6700 -1.6700 PSI 15 15 A 19 GLU C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -96.5300 -36.5300 PHI 16 16 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 VAL N 1.0 -80.4700 -0.4698 PSI 17 17 A 20 LYS C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -96.1500 -36.1500 PHI 18 18 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 THR N 1.0 -83.2600 -3.2600 PSI 19 19 A 21 VAL C A 22 THR N A 22 THR CA A 22 THR C 1.0 -91.8600 -31.8600 PHI 20 20 A 22 THR N A 22 THR CA A 22 THR C A 23 LEU N 1.0 -84.2900 -4.2900 PSI 21 21 A 22 THR C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -89.1000 -29.1000 PHI 22 22 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 TYR N 1.0 -82.1200 -2.1200 PSI 23 23 A 23 LEU C A 24 TYR N A 24 TYR CA A 24 TYR C 1.0 -98.9400 -38.9400 PHI 24 24 A 24 TYR N A 24 TYR CA A 24 TYR C A 25 LEU N 1.0 -82.0100 -2.0100 PSI 25 25 A 24 TYR C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -93.5200 -33.5200 PHI 26 26 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 LYS N 1.0 -80.4300 -0.4300 PSI 27 27 A 25 LEU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -93.0300 -33.0300 PHI 28 28 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 HIS N 1.0 -81.2900 -1.2900 PSI 29 29 A 26 LYS C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -99.1400 -39.1400 PHI 30 30 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 ASN N 1.0 -74.3300 5.6700 PSI 31 31 A 31 ASP C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -87.5100 -27.5100 PHI 32 32 A 31 ASP C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -109.2800 -49.2800 PHI 33 33 A 30 PRO N A 30 PRO CA A 30 PRO C A 31 ASP N 1.0 -64.3900 15.6100 PSI 34 34 A 30 PRO C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -130.0200 -70.0200 PHI 35 35 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 PHE N 1.0 -39.0900 40.9100 PSI 36 36 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 ASN N 1.0 92.8200 172.8200 PSI 37 37 A 33 ASN C A 34 THR N A 34 THR CA A 34 THR C 1.0 -181.2300 -121.2300 PHI 38 38 A 34 THR N A 34 THR CA A 34 THR C A 35 VAL N 1.0 115.5600 195.5600 PSI 39 39 A 34 THR C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -166.0800 -106.0800 PHI 40 40 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 THR N 1.0 99.2800 179.2800 PSI 41 41 A 35 VAL C A 36 THR N A 36 THR CA A 36 THR C 1.0 -149.5300 -89.5300 PHI 42 42 A 36 THR N A 36 THR CA A 36 THR C A 37 PHE N 1.0 95.3400 175.3400 PSI 43 43 A 36 THR C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -126.9400 -66.9400 PHI 44 44 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 THR N 1.0 91.9800 171.9800 PSI 45 45 A 44 PRO C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -129.3100 -69.3100 PHI 46 46 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 GLY N 1.0 -39.4700 40.5300 PSI 47 47 A 47 ILE C A 48 SER N A 48 SER CA A 48 SER C 1.0 -151.9300 -91.9300 PHI 48 48 A 48 SER N A 48 SER CA A 48 SER C A 49 ILE N 1.0 100.4600 180.4600 PSI 49 49 A 48 SER C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -154.2600 -94.2600 PHI 50 50 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 ASP N 1.0 94.4200 174.4200 PSI 51 51 A 49 ILE C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -159.1200 -99.1200 PHI 52 52 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLY N 1.0 107.4100 187.4100 PSI 53 53 A 51 GLY C A 52 TYR N A 52 TYR CA A 52 TYR C 1.0 -160.2200 -100.2200 PHI 54 54 A 52 TYR N A 52 TYR CA A 52 TYR C A 53 ILE N 1.0 112.4300 192.4300 PSI 55 55 A 52 TYR C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -158.3200 -98.3200 PHI 56 56 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 ASN N 1.0 116.7200 196.7200 PSI 57 57 A 56 ASP C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -91.4700 -31.4700 PHI 58 58 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 ASN N 1.0 -68.2900 11.7100 PSI 59 59 A 57 LYS C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -116.2800 -56.2800 PHI 60 60 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 LEU N 1.0 -46.6700 33.3300 PSI 61 61 A 59 LEU C A 60 SER N A 60 SER CA A 60 SER C 1.0 -142.3000 -82.3000 PHI 62 62 A 60 SER N A 60 SER CA A 60 SER C A 61 PHE N 1.0 125.1000 205.1000 PSI 63 63 A 60 SER C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -166.4600 -106.4600 PHI 64 64 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 THR N 1.0 109.5000 189.5000 PSI 65 65 A 61 PHE C A 62 THR N A 62 THR CA A 62 THR C 1.0 -159.4900 -99.4900 PHI 66 66 A 62 THR N A 62 THR CA A 62 THR C A 63 ALA N 1.0 88.9100 168.9100 PSI 67 67 A 62 THR C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -149.6500 -89.6500 PHI 68 68 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 GLY N 1.0 103.2700 183.2700 PSI 69 69 A 69 ILE C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -138.6700 -78.6700 PHI 70 70 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 SER N 1.0 86.8200 166.8200 PSI 71 71 A 70 PHE C A 71 SER N A 71 SER CA A 71 SER C 1.0 -141.7600 -81.7600 PHI 72 72 A 71 SER N A 71 SER CA A 71 SER C A 72 SER N 1.0 96.4800 176.4800 PSI 73 73 A 71 SER C A 72 SER N A 72 SER CA A 72 SER C 1.0 -153.1400 -93.1400 PHI 74 74 A 72 SER N A 72 SER CA A 72 SER C A 73 SER N 1.0 107.6600 187.6600 PSI 75 75 A 72 SER C A 73 SER N A 73 SER CA A 73 SER C 1.0 -107.5600 -47.5600 PHI 76 76 A 73 SER N A 73 SER CA A 73 SER C A 74 GLU N 1.0 123.0500 203.0500 PSI 77 77 A 73 SER C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -87.6800 -27.6800 PHI 78 78 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 GLU N 1.0 -80.0401 -0.0399 PSI 79 79 A 74 GLU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -93.7600 -33.7600 PHI 80 80 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 LEU N 1.0 -83.1200 -3.1200 PSI 81 81 A 75 GLU C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -92.0900 -32.0900 PHI 82 82 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 ASP N 1.0 -83.1800 -3.1800 PSI 83 83 A 76 LEU C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -92.7600 -32.7600 PHI 84 84 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 LYS N 1.0 -77.7100 2.2900 PSI 85 85 A 77 ASP C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -97.9800 -37.9800 PHI 86 86 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 MET N 1.0 -62.3100 17.6900 PSI 87 87 A 78 LYS C A 79 MET N A 79 MET CA A 79 MET C 1.0 -105.7300 -45.7300 PHI 88 88 A 79 MET N A 79 MET CA A 79 MET C A 80 PHE N 1.0 -67.7900 12.2100 PSI 89 89 A 81 GLN C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -132.5900 -72.5900 PHI 90 90 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 PRO N 1.0 83.7400 163.7400 PSI 91 91 A 82 GLU C A 83 PRO N A 83 PRO CA A 83 PRO C 1.0 -96.4700 -36.4700 PHI 92 92 A 83 PRO N A 83 PRO CA A 83 PRO C A 84 ARG N 1.0 105.0200 185.0200 PSI 93 93 A 83 PRO C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -124.3800 -64.3800 PHI 94 94 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 LYS N 1.0 84.3500 164.3500 PSI 95 95 A 86 GLY C A 87 TYR N A 87 TYR CA A 87 TYR C 1.0 -88.3300 -28.3300 PHI 96 96 A 87 TYR N A 87 TYR CA A 87 TYR C A 88 ASP N 1.0 -81.7700 -1.7700 PSI 97 97 A 87 TYR C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -91.8100 -31.8100 PHI 98 98 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 GLU N 1.0 -79.1100 0.8900 PSI 99 99 A 88 ASP C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -98.0500 -38.0500 PHI 100 100 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 ILE N 1.0 -82.0400 -2.0400 PSI 101 101 A 89 GLU C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -95.2000 -35.2000 PHI 102 102 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 LEU N 1.0 -84.0700 -4.0700 PSI 103 103 A 90 ILE C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -87.3500 -27.3500 PHI 104 104 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 GLU N 1.0 -81.7800 -1.7800 PSI 105 105 A 91 LEU C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -97.9600 -37.9600 PHI 106 106 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 HIS N 1.0 -73.4800 6.5200 PSI stop_ save_ save_n15_noesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n15_noesy _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 12755.1 2 1H 9351.0 3 15N 2500 stop_ save_ save_c13_noesy_aliph_spectra_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode c13_noesy_aliph_spectra_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HC 12755.1 2 1H 9351.0 3 13C 14963.3 stop_ save_ save_c13_noesy_arom_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode c13_noesy_arom_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HC 12755.1 2 1H 14963.3 3 13C 9351.0 stop_ save_ save_d2o_4d_noesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode d2o_4d_noesy_peak_list _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8000 2 1H 4197.3 3 13C 3121.3 4 13C 3121.3 stop_ save_