data_nef_c16647_2krs save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLN middle . . 3 A 3 GLY middle . false 4 A 4 VAL middle . . 5 A 5 VAL middle . . 6 A 6 LYS middle . . 7 A 7 VAL middle . . 8 A 8 ASN middle . . 9 A 9 SER middle . . 10 A 10 ALA middle . . 11 A 11 LEU middle . . 12 A 12 ASN middle . . 13 A 13 MET middle . . 14 A 14 ARG middle . . 15 A 15 SER middle . . 16 A 16 GLY middle . false 17 A 17 PRO middle . false 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 ASN middle . . 21 A 21 TYR middle . . 22 A 22 GLY middle . false 23 A 23 VAL middle . . 24 A 24 ILE middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 LEU middle . . 28 A 28 ARG middle . . 29 A 29 ASN middle . . 30 A 30 ASN middle . . 31 A 31 ASP middle . . 32 A 32 LYS middle . . 33 A 33 VAL middle . . 34 A 34 GLU middle . . 35 A 35 ILE middle . . 36 A 36 ILE middle . . 37 A 37 LYS middle . . 38 A 38 GLU middle . . 39 A 39 VAL middle . . 40 A 40 ASP middle . . 41 A 41 GLY middle . false 42 A 42 TRP middle . . 43 A 43 TYR middle . . 44 A 44 GLU middle . . 45 A 45 ILE middle . . 46 A 46 ARG middle . . 47 A 47 PHE middle . . 48 A 48 ASN middle . . 49 A 49 GLY middle . false 50 A 50 LYS middle . . 51 A 51 VAL middle . . 52 A 52 GLY middle . false 53 A 53 TYR middle . . 54 A 54 ALA middle . . 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 SER middle . . 58 A 58 TYR middle . . 59 A 59 ILE middle . . 60 A 60 THR middle . . 61 A 61 ILE middle . . 62 A 62 VAL middle . . 63 A 63 ASN middle . . 64 A 64 GLU middle . . 65 A 65 GLY middle . false 66 A 66 SER middle . . 67 A 67 LEU middle . . 68 A 68 GLU middle . . 69 A 69 HIS middle . . 70 A 70 HIS middle . . 71 A 71 HIS middle . . 72 A 72 HIS middle . . 73 A 73 HIS middle . . 74 A 74 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.16 0.02 A 1 MET HBx H 1 2.16 0.02 A 1 MET HBy H 1 2.16 0.02 A 1 MET HE% H 1 2.05 0.02 A 1 MET HGx H 1 2.44 0.02 A 1 MET HGy H 1 2.60 0.02 A 1 MET C C 13 172.0 0.2 A 1 MET CA C 13 55.6 0.2 A 1 MET CB C 13 34.1 0.2 A 1 MET CE C 13 16.9 0.2 A 1 MET CG C 13 31.2 0.2 A 2 GLN H H 1 9.33 0.02 A 2 GLN HA H 1 5.00 0.02 A 2 GLN HBx H 1 1.99 0.02 A 2 GLN HBy H 1 2.16 0.02 A 2 GLN HE21 H 1 7.58 0.02 A 2 GLN HE22 H 1 6.86 0.02 A 2 GLN HGx H 1 2.30 0.02 A 2 GLN HGy H 1 2.44 0.02 A 2 GLN C C 13 174.5 0.2 A 2 GLN CA C 13 55.5 0.2 A 2 GLN CB C 13 31.7 0.2 A 2 GLN CG C 13 34.6 0.2 A 2 GLN N N 15 125.4 0.2 A 2 GLN NE2 N 15 112.0 0.2 A 3 GLY H H 1 8.86 0.02 A 3 GLY HAx H 1 3.07 0.02 A 3 GLY HAy H 1 5.25 0.02 A 3 GLY C C 13 171.8 0.2 A 3 GLY CA C 13 44.3 0.2 A 3 GLY N N 15 108.2 0.2 A 4 VAL H H 1 9.06 0.02 A 4 VAL HA H 1 5.08 0.02 A 4 VAL HB H 1 1.76 0.02 A 4 VAL HG1% H 1 0.88 0.02 A 4 VAL HG2% H 1 0.89 0.02 A 4 VAL C C 13 174.5 0.2 A 4 VAL CA C 13 59.8 0.2 A 4 VAL CB C 13 35.3 0.2 A 4 VAL CG1 C 13 21.3 0.2 A 4 VAL CG2 C 13 21.7 0.2 A 4 VAL N N 15 120.2 0.2 A 5 VAL H H 1 8.75 0.02 A 5 VAL HA H 1 4.19 0.02 A 5 VAL HB H 1 2.20 0.02 A 5 VAL HG1% H 1 0.68 0.02 A 5 VAL HG2% H 1 0.77 0.02 A 5 VAL C C 13 175.8 0.2 A 5 VAL CA C 13 62.8 0.2 A 5 VAL CB C 13 31.9 0.2 A 5 VAL CG1 C 13 23.2 0.2 A 5 VAL CG2 C 13 23.0 0.2 A 5 VAL N N 15 128.6 0.2 A 6 LYS H H 1 8.83 0.02 A 6 LYS HA H 1 5.25 0.02 A 6 LYS HBx H 1 1.68 0.02 A 6 LYS HBy H 1 1.68 0.02 A 6 LYS HDx H 1 1.66 0.02 A 6 LYS HDy H 1 1.76 0.02 A 6 LYS HEx H 1 2.88 0.02 A 6 LYS HEy H 1 2.93 0.02 A 6 LYS HGx H 1 1.28 0.02 A 6 LYS HGy H 1 1.44 0.02 A 6 LYS C C 13 174.8 0.2 A 6 LYS CA C 13 54.3 0.2 A 6 LYS CB C 13 33.2 0.2 A 6 LYS CD C 13 29.2 0.2 A 6 LYS CE C 13 42.4 0.2 A 6 LYS CG C 13 24.1 0.2 A 6 LYS N N 15 131.4 0.2 A 7 VAL H H 1 8.27 0.02 A 7 VAL HA H 1 4.64 0.02 A 7 VAL HB H 1 2.02 0.02 A 7 VAL HG1% H 1 0.64 0.02 A 7 VAL HG2% H 1 0.63 0.02 A 7 VAL C C 13 173.4 0.2 A 7 VAL CA C 13 59.7 0.2 A 7 VAL CB C 13 35.4 0.2 A 7 VAL CG1 C 13 20.8 0.2 A 7 VAL CG2 C 13 20.6 0.2 A 7 VAL N N 15 119.0 0.2 A 8 ASN H H 1 8.56 0.02 A 8 ASN HA H 1 4.69 0.02 A 8 ASN HBx H 1 2.84 0.02 A 8 ASN HBy H 1 2.84 0.02 A 8 ASN HD2y H 1 7.63 0.02 A 8 ASN HD2x H 1 6.97 0.02 A 8 ASN C C 13 175.6 0.2 A 8 ASN CA C 13 54.5 0.2 A 8 ASN CB C 13 38.7 0.2 A 8 ASN CG C 13 176.9 0.2 A 8 ASN N N 15 120.7 0.2 A 8 ASN ND2 N 15 112.9 0.2 A 9 SER H H 1 7.63 0.02 A 9 SER HA H 1 4.45 0.02 A 9 SER HBx H 1 3.84 0.02 A 9 SER HBy H 1 3.84 0.02 A 9 SER C C 13 172.8 0.2 A 9 SER CA C 13 58.1 0.2 A 9 SER CB C 13 63.5 0.2 A 9 SER N N 15 112.8 0.2 A 10 ALA H H 1 8.33 0.02 A 10 ALA HA H 1 4.53 0.02 A 10 ALA HB% H 1 1.25 0.02 A 10 ALA C C 13 175.3 0.2 A 10 ALA CA C 13 52.4 0.2 A 10 ALA CB C 13 20.9 0.2 A 10 ALA N N 15 123.9 0.2 A 11 LEU H H 1 8.93 0.02 A 11 LEU HA H 1 4.53 0.02 A 11 LEU HBx H 1 1.04 0.02 A 11 LEU HBy H 1 1.60 0.02 A 11 LEU HD1% H 1 0.77 0.02 A 11 LEU HD2% H 1 0.72 0.02 A 11 LEU HG H 1 1.49 0.02 A 11 LEU C C 13 175.3 0.2 A 11 LEU CA C 13 52.6 0.2 A 11 LEU CB C 13 45.9 0.2 A 11 LEU CD1 C 13 24.5 0.2 A 11 LEU CD2 C 13 27.2 0.2 A 11 LEU CG C 13 26.7 0.2 A 11 LEU N N 15 123.6 0.2 A 12 ASN H H 1 8.80 0.02 A 12 ASN HA H 1 5.03 0.02 A 12 ASN HBx H 1 2.50 0.02 A 12 ASN HBy H 1 2.97 0.02 A 12 ASN HD2x H 1 7.14 0.02 A 12 ASN HD2y H 1 7.14 0.02 A 12 ASN C C 13 174.0 0.2 A 12 ASN CA C 13 53.8 0.2 A 12 ASN CB C 13 39.5 0.2 A 12 ASN CG C 13 174.9 0.2 A 12 ASN N N 15 123.6 0.2 A 12 ASN ND2 N 15 113.2 0.2 A 13 MET H H 1 8.63 0.02 A 13 MET HA H 1 4.97 0.02 A 13 MET HBx H 1 1.57 0.02 A 13 MET HBy H 1 1.79 0.02 A 13 MET HE% H 1 1.87 0.02 A 13 MET HGx H 1 2.22 0.02 A 13 MET HGy H 1 2.22 0.02 A 13 MET C C 13 176.0 0.2 A 13 MET CA C 13 54.9 0.2 A 13 MET CB C 13 35.2 0.2 A 13 MET CE C 13 17.4 0.2 A 13 MET CG C 13 32.2 0.2 A 13 MET N N 15 122.6 0.2 A 14 ARG H H 1 9.73 0.02 A 14 ARG HA H 1 5.76 0.02 A 14 ARG HBx H 1 2.02 0.02 A 14 ARG HBy H 1 2.02 0.02 A 14 ARG HDx H 1 3.28 0.02 A 14 ARG HDy H 1 3.44 0.02 A 14 ARG HGx H 1 1.57 0.02 A 14 ARG HGy H 1 1.82 0.02 A 14 ARG C C 13 177.7 0.2 A 14 ARG CA C 13 54.9 0.2 A 14 ARG CB C 13 34.6 0.2 A 14 ARG CD C 13 43.7 0.2 A 14 ARG CG C 13 29.4 0.2 A 14 ARG N N 15 125.2 0.2 A 15 SER H H 1 9.01 0.02 A 15 SER HA H 1 4.58 0.02 A 15 SER HBy H 1 4.31 0.02 A 15 SER HBx H 1 3.88 0.02 A 15 SER C C 13 173.1 0.2 A 15 SER CA C 13 59.1 0.2 A 15 SER CB C 13 63.6 0.2 A 15 SER N N 15 113.6 0.2 A 16 GLY H H 1 6.94 0.02 A 16 GLY HAx H 1 1.05 0.02 A 16 GLY HAy H 1 3.01 0.02 A 16 GLY CA C 13 43.7 0.2 A 16 GLY N N 15 109.5 0.2 A 17 PRO HA H 1 3.07 0.02 A 17 PRO HBx H 1 1.01 0.02 A 17 PRO HBy H 1 1.87 0.02 A 17 PRO HDx H 1 1.53 0.02 A 17 PRO HDy H 1 2.25 0.02 A 17 PRO HGx H 1 1.49 0.02 A 17 PRO HGy H 1 1.60 0.02 A 17 PRO C C 13 172.4 0.2 A 17 PRO CA C 13 60.2 0.2 A 17 PRO CB C 13 28.3 0.2 A 17 PRO CD C 13 47.4 0.2 A 17 PRO CG C 13 26.7 0.2 A 18 GLY H H 1 6.65 0.02 A 18 GLY HAx H 1 3.63 0.02 A 18 GLY HAy H 1 4.01 0.02 A 18 GLY C C 13 173.2 0.2 A 18 GLY CA C 13 46.2 0.2 A 18 GLY N N 15 110.4 0.2 A 19 SER H H 1 8.96 0.02 A 19 SER HA H 1 4.20 0.02 A 19 SER HBx H 1 4.12 0.02 A 19 SER HBy H 1 4.12 0.02 A 19 SER C C 13 173.6 0.2 A 19 SER CA C 13 60.6 0.2 A 19 SER CB C 13 63.2 0.2 A 19 SER N N 15 115.8 0.2 A 20 ASN H H 1 8.72 0.02 A 20 ASN HA H 1 4.56 0.02 A 20 ASN HBx H 1 2.53 0.02 A 20 ASN HBy H 1 2.53 0.02 A 20 ASN HD21 H 1 7.26 0.02 A 20 ASN HD22 H 1 6.15 0.02 A 20 ASN C C 13 175.3 0.2 A 20 ASN CA C 13 53.3 0.2 A 20 ASN CB C 13 37.3 0.2 A 20 ASN CG C 13 177.3 0.2 A 20 ASN N N 15 115.0 0.2 A 20 ASN ND2 N 15 113.5 0.2 A 21 TYR H H 1 7.04 0.02 A 21 TYR HA H 1 4.29 0.02 A 21 TYR HBx H 1 2.69 0.02 A 21 TYR HBy H 1 3.29 0.02 A 21 TYR HDx H 1 6.74 0.02 A 21 TYR HDy H 1 6.74 0.02 A 21 TYR HEx H 1 6.40 0.02 A 21 TYR HEy H 1 6.40 0.02 A 21 TYR C C 13 175.7 0.2 A 21 TYR CA C 13 58.8 0.2 A 21 TYR CB C 13 39.4 0.2 A 21 TYR CDx C 13 133.5 0.2 A 21 TYR CDy C 13 133.5 0.2 A 21 TYR CEx C 13 117.5 0.2 A 21 TYR CEy C 13 117.5 0.2 A 21 TYR N N 15 119.2 0.2 A 22 GLY H H 1 8.45 0.02 A 22 GLY HAx H 1 3.82 0.02 A 22 GLY HAy H 1 4.09 0.02 A 22 GLY C C 13 172.7 0.2 A 22 GLY CA C 13 45.3 0.2 A 22 GLY N N 15 107.8 0.2 A 23 VAL H H 1 8.47 0.02 A 23 VAL HA H 1 4.32 0.02 A 23 VAL HB H 1 2.04 0.02 A 23 VAL HG1% H 1 1.08 0.02 A 23 VAL HG2% H 1 1.06 0.02 A 23 VAL C C 13 178.0 0.2 A 23 VAL CA C 13 63.7 0.2 A 23 VAL CB C 13 32.7 0.2 A 23 VAL CG1 C 13 21.9 0.2 A 23 VAL CG2 C 13 22.4 0.2 A 23 VAL N N 15 120.2 0.2 A 24 ILE H H 1 9.12 0.02 A 24 ILE HA H 1 4.74 0.02 A 24 ILE HB H 1 2.16 0.02 A 24 ILE HD1% H 1 0.92 0.02 A 24 ILE HG1x H 1 0.85 0.02 A 24 ILE HG1y H 1 1.13 0.02 A 24 ILE HG2% H 1 0.96 0.02 A 24 ILE C C 13 175.3 0.2 A 24 ILE CA C 13 60.5 0.2 A 24 ILE CB C 13 39.9 0.2 A 24 ILE CD1 C 13 15.1 0.2 A 24 ILE CG1 C 13 26.6 0.2 A 24 ILE CG2 C 13 18.7 0.2 A 24 ILE N N 15 120.9 0.2 A 25 GLY H H 1 7.77 0.02 A 25 GLY HAx H 1 4.13 0.02 A 25 GLY HAy H 1 4.31 0.02 A 25 GLY C C 13 171.1 0.2 A 25 GLY CA C 13 45.5 0.2 A 25 GLY N N 15 109.2 0.2 A 26 THR H H 1 8.44 0.02 A 26 THR HA H 1 5.08 0.02 A 26 THR HB H 1 3.88 0.02 A 26 THR HG2% H 1 1.15 0.02 A 26 THR C C 13 173.0 0.2 A 26 THR CA C 13 61.4 0.2 A 26 THR CB C 13 72.2 0.2 A 26 THR CG2 C 13 22.1 0.2 A 26 THR N N 15 113.9 0.2 A 27 LEU H H 1 9.18 0.02 A 27 LEU HA H 1 4.48 0.02 A 27 LEU HBy H 1 1.51 0.02 A 27 LEU HBx H 1 1.31 0.02 A 27 LEU HD1% H 1 0.48 0.02 A 27 LEU HD2% H 1 0.00 0.02 A 27 LEU HG H 1 1.10 0.02 A 27 LEU C C 13 174.9 0.2 A 27 LEU CA C 13 53.4 0.2 A 27 LEU CB C 13 45.0 0.2 A 27 LEU CD1 C 13 25.9 0.2 A 27 LEU CD2 C 13 23.5 0.2 A 27 LEU CG C 13 27.4 0.2 A 27 LEU N N 15 125.6 0.2 A 28 ARG H H 1 9.28 0.02 A 28 ARG HA H 1 4.51 0.02 A 28 ARG HBx H 1 1.67 0.02 A 28 ARG HBy H 1 1.84 0.02 A 28 ARG HDx H 1 3.21 0.02 A 28 ARG HDy H 1 3.21 0.02 A 28 ARG HGx H 1 1.62 0.02 A 28 ARG HGy H 1 1.62 0.02 A 28 ARG C C 13 175.3 0.2 A 28 ARG CA C 13 53.3 0.2 A 28 ARG CB C 13 33.1 0.2 A 28 ARG CD C 13 43.3 0.2 A 28 ARG CG C 13 27.5 0.2 A 28 ARG N N 15 120.6 0.2 A 29 ASN H H 1 8.36 0.02 A 29 ASN HA H 1 4.07 0.02 A 29 ASN HBx H 1 2.55 0.02 A 29 ASN HBy H 1 3.07 0.02 A 29 ASN HD21 H 1 7.66 0.02 A 29 ASN HD22 H 1 6.70 0.02 A 29 ASN C C 13 176.5 0.2 A 29 ASN CA C 13 56.1 0.2 A 29 ASN CB C 13 39.3 0.2 A 29 ASN CG C 13 175.9 0.2 A 29 ASN N N 15 117.2 0.2 A 29 ASN ND2 N 15 113.9 0.2 A 30 ASN H H 1 9.29 0.02 A 30 ASN HA H 1 4.30 0.02 A 30 ASN HBx H 1 3.02 0.02 A 30 ASN HBy H 1 3.28 0.02 A 30 ASN HD21 H 1 7.55 0.02 A 30 ASN HD22 H 1 6.89 0.02 A 30 ASN C C 13 175.1 0.2 A 30 ASN CA C 13 55.5 0.2 A 30 ASN CB C 13 37.3 0.2 A 30 ASN CG C 13 177.6 0.2 A 30 ASN N N 15 118.9 0.2 A 30 ASN ND2 N 15 113.0 0.2 A 31 ASP H H 1 8.21 0.02 A 31 ASP HA H 1 4.70 0.02 A 31 ASP HBx H 1 2.19 0.02 A 31 ASP HBy H 1 2.63 0.02 A 31 ASP C C 13 175.3 0.2 A 31 ASP CA C 13 56.5 0.2 A 31 ASP CB C 13 41.2 0.2 A 31 ASP N N 15 122.3 0.2 A 32 LYS H H 1 8.51 0.02 A 32 LYS HA H 1 5.14 0.02 A 32 LYS HBx H 1 1.86 0.02 A 32 LYS HBy H 1 1.92 0.02 A 32 LYS HDx H 1 1.73 0.02 A 32 LYS HDy H 1 1.73 0.02 A 32 LYS HEx H 1 3.02 0.02 A 32 LYS HEy H 1 3.02 0.02 A 32 LYS HGx H 1 1.46 0.02 A 32 LYS HGy H 1 1.67 0.02 A 32 LYS C C 13 176.6 0.2 A 32 LYS CA C 13 55.4 0.2 A 32 LYS CB C 13 33.5 0.2 A 32 LYS CD C 13 29.0 0.2 A 32 LYS CE C 13 42.2 0.2 A 32 LYS CG C 13 25.2 0.2 A 32 LYS N N 15 121.5 0.2 A 33 VAL H H 1 8.65 0.02 A 33 VAL HA H 1 5.02 0.02 A 33 VAL HB H 1 1.97 0.02 A 33 VAL HG1% H 1 0.61 0.02 A 33 VAL HG2% H 1 0.47 0.02 A 33 VAL C C 13 174.2 0.2 A 33 VAL CA C 13 58.2 0.2 A 33 VAL CB C 13 34.9 0.2 A 33 VAL CG1 C 13 22.5 0.2 A 33 VAL CG2 C 13 18.5 0.2 A 33 VAL N N 15 113.5 0.2 A 34 GLU H H 1 8.07 0.02 A 34 GLU HA H 1 4.78 0.02 A 34 GLU HBx H 1 1.99 0.02 A 34 GLU HBy H 1 2.05 0.02 A 34 GLU HGx H 1 2.05 0.02 A 34 GLU HGy H 1 2.26 0.02 A 34 GLU C C 13 176.0 0.2 A 34 GLU CA C 13 55.0 0.2 A 34 GLU CB C 13 31.4 0.2 A 34 GLU CG C 13 35.9 0.2 A 34 GLU N N 15 122.3 0.2 A 35 ILE H H 1 8.61 0.02 A 35 ILE HA H 1 4.10 0.02 A 35 ILE HB H 1 1.34 0.02 A 35 ILE HD1% H 1 0.04 0.02 A 35 ILE HG1x H 1 0.29 0.02 A 35 ILE HG1y H 1 1.05 0.02 A 35 ILE HG2% H 1 0.32 0.02 A 35 ILE C C 13 175.6 0.2 A 35 ILE CA C 13 61.2 0.2 A 35 ILE CB C 13 38.8 0.2 A 35 ILE CD1 C 13 14.0 0.2 A 35 ILE CG1 C 13 27.4 0.2 A 35 ILE CG2 C 13 17.7 0.2 A 35 ILE N N 15 125.5 0.2 A 36 ILE H H 1 9.45 0.02 A 36 ILE HA H 1 3.99 0.02 A 36 ILE HB H 1 1.61 0.02 A 36 ILE HD1% H 1 0.63 0.02 A 36 ILE HG1x H 1 0.98 0.02 A 36 ILE HG1y H 1 1.34 0.02 A 36 ILE HG2% H 1 0.83 0.02 A 36 ILE C C 13 176.5 0.2 A 36 ILE CA C 13 63.1 0.2 A 36 ILE CB C 13 38.8 0.2 A 36 ILE CD1 C 13 13.0 0.2 A 36 ILE CG1 C 13 27.7 0.2 A 36 ILE CG2 C 13 17.8 0.2 A 36 ILE N N 15 129.5 0.2 A 37 LYS H H 1 7.63 0.02 A 37 LYS HA H 1 4.67 0.02 A 37 LYS HBx H 1 1.89 0.02 A 37 LYS HBy H 1 2.18 0.02 A 37 LYS HDx H 1 1.63 0.02 A 37 LYS HDy H 1 1.70 0.02 A 37 LYS HEx H 1 2.95 0.02 A 37 LYS HEy H 1 2.95 0.02 A 37 LYS HGx H 1 1.11 0.02 A 37 LYS HGy H 1 1.54 0.02 A 37 LYS C C 13 173.1 0.2 A 37 LYS CA C 13 55.7 0.2 A 37 LYS CB C 13 34.7 0.2 A 37 LYS CD C 13 29.8 0.2 A 37 LYS CE C 13 42.0 0.2 A 37 LYS CG C 13 23.5 0.2 A 37 LYS N N 15 113.3 0.2 A 38 GLU H H 1 8.80 0.02 A 38 GLU HA H 1 5.36 0.02 A 38 GLU HBx H 1 2.06 0.02 A 38 GLU HBy H 1 2.13 0.02 A 38 GLU HGx H 1 2.08 0.02 A 38 GLU HGy H 1 2.18 0.02 A 38 GLU C C 13 175.3 0.2 A 38 GLU CA C 13 55.4 0.2 A 38 GLU CB C 13 32.5 0.2 A 38 GLU CG C 13 36.3 0.2 A 38 GLU N N 15 122.0 0.2 A 39 VAL H H 1 9.55 0.02 A 39 VAL HA H 1 4.36 0.02 A 39 VAL HB H 1 2.15 0.02 A 39 VAL HG1% H 1 1.02 0.02 A 39 VAL HG2% H 1 1.06 0.02 A 39 VAL C C 13 174.5 0.2 A 39 VAL CA C 13 61.6 0.2 A 39 VAL CB C 13 34.4 0.2 A 39 VAL CG1 C 13 20.7 0.2 A 39 VAL CG2 C 13 20.8 0.2 A 39 VAL N N 15 126.0 0.2 A 40 ASP H H 1 8.96 0.02 A 40 ASP HA H 1 4.34 0.02 A 40 ASP HBy H 1 3.09 0.02 A 40 ASP HBx H 1 2.71 0.02 A 40 ASP C C 13 175.8 0.2 A 40 ASP CA C 13 55.9 0.2 A 40 ASP CB C 13 40.7 0.2 A 40 ASP N N 15 125.7 0.2 A 41 GLY H H 1 8.87 0.02 A 41 GLY HAx H 1 3.51 0.02 A 41 GLY HAy H 1 4.19 0.02 A 41 GLY C C 13 173.9 0.2 A 41 GLY CA C 13 45.7 0.2 A 41 GLY N N 15 105.5 0.2 A 42 TRP H H 1 8.58 0.02 A 42 TRP HA H 1 4.70 0.02 A 42 TRP HBx H 1 3.13 0.02 A 42 TRP HBy H 1 3.34 0.02 A 42 TRP HD1 H 1 7.44 0.02 A 42 TRP HE1 H 1 10.17 0.02 A 42 TRP HE3 H 1 7.21 0.02 A 42 TRP HH2 H 1 7.19 0.02 A 42 TRP HZ2 H 1 7.52 0.02 A 42 TRP HZ3 H 1 7.21 0.02 A 42 TRP C C 13 175.3 0.2 A 42 TRP CA C 13 56.3 0.2 A 42 TRP CB C 13 31.3 0.2 A 42 TRP CD1 C 13 128.6 0.2 A 42 TRP CE3 C 13 119.0 0.2 A 42 TRP CH2 C 13 123.8 0.2 A 42 TRP CZ2 C 13 113.9 0.2 A 42 TRP CZ3 C 13 121.8 0.2 A 42 TRP N N 15 122.9 0.2 A 42 TRP NE1 N 15 130.8 0.2 A 43 TYR H H 1 9.40 0.02 A 43 TYR HA H 1 5.63 0.02 A 43 TYR HBx H 1 2.55 0.02 A 43 TYR HBy H 1 2.89 0.02 A 43 TYR HDx H 1 6.88 0.02 A 43 TYR HDy H 1 6.88 0.02 A 43 TYR HEx H 1 6.81 0.02 A 43 TYR HEy H 1 6.81 0.02 A 43 TYR C C 13 175.8 0.2 A 43 TYR CA C 13 55.9 0.2 A 43 TYR CB C 13 40.2 0.2 A 43 TYR CDx C 13 131.7 0.2 A 43 TYR CDy C 13 131.7 0.2 A 43 TYR CEx C 13 118.0 0.2 A 43 TYR CEy C 13 118.0 0.2 A 43 TYR N N 15 119.0 0.2 A 44 GLU H H 1 9.11 0.02 A 44 GLU HA H 1 4.04 0.02 A 44 GLU HBx H 1 1.52 0.02 A 44 GLU HBy H 1 2.02 0.02 A 44 GLU HGx H 1 1.27 0.02 A 44 GLU HGy H 1 1.66 0.02 A 44 GLU C C 13 175.5 0.2 A 44 GLU CA C 13 55.5 0.2 A 44 GLU CB C 13 31.2 0.2 A 44 GLU CG C 13 36.4 0.2 A 44 GLU N N 15 125.6 0.2 A 45 ILE H H 1 9.30 0.02 A 45 ILE HA H 1 5.55 0.02 A 45 ILE HB H 1 1.59 0.02 A 45 ILE HD1% H 1 0.65 0.02 A 45 ILE HG1x H 1 0.79 0.02 A 45 ILE HG1y H 1 1.23 0.02 A 45 ILE HG2% H 1 0.75 0.02 A 45 ILE C C 13 173.7 0.2 A 45 ILE CA C 13 58.3 0.2 A 45 ILE CB C 13 43.2 0.2 A 45 ILE CD1 C 13 16.0 0.2 A 45 ILE CG1 C 13 25.5 0.2 A 45 ILE CG2 C 13 19.4 0.2 A 45 ILE N N 15 122.7 0.2 A 46 ARG H H 1 8.73 0.02 A 46 ARG HA H 1 5.31 0.02 A 46 ARG HBy H 1 1.76 0.02 A 46 ARG HBx H 1 1.51 0.02 A 46 ARG HDx H 1 3.11 0.02 A 46 ARG HDy H 1 3.11 0.02 A 46 ARG HGx H 1 1.31 0.02 A 46 ARG HGy H 1 1.40 0.02 A 46 ARG C C 13 176.4 0.2 A 46 ARG CA C 13 54.4 0.2 A 46 ARG CB C 13 33.6 0.2 A 46 ARG CD C 13 43.3 0.2 A 46 ARG CG C 13 27.9 0.2 A 46 ARG N N 15 118.9 0.2 A 47 PHE H H 1 9.08 0.02 A 47 PHE HA H 1 4.85 0.02 A 47 PHE HBx H 1 2.59 0.02 A 47 PHE HBy H 1 2.92 0.02 A 47 PHE HDx H 1 7.26 0.02 A 47 PHE HDy H 1 7.26 0.02 A 47 PHE HEx H 1 7.38 0.02 A 47 PHE HEy H 1 7.38 0.02 A 47 PHE HZ H 1 7.30 0.02 A 47 PHE C C 13 174.5 0.2 A 47 PHE CA C 13 57.3 0.2 A 47 PHE CB C 13 42.5 0.2 A 47 PHE CDx C 13 132.1 0.2 A 47 PHE CDy C 13 132.1 0.2 A 47 PHE CEx C 13 131.8 0.2 A 47 PHE CEy C 13 131.8 0.2 A 47 PHE CZ C 13 130.7 0.2 A 47 PHE N N 15 126.5 0.2 A 48 ASN H H 1 9.14 0.02 A 48 ASN HA H 1 4.08 0.02 A 48 ASN HBx H 1 1.95 0.02 A 48 ASN HBy H 1 2.83 0.02 A 48 ASN HD21 H 1 6.92 0.02 A 48 ASN HD22 H 1 6.62 0.02 A 48 ASN C C 13 175.1 0.2 A 48 ASN CA C 13 53.5 0.2 A 48 ASN CB C 13 37.1 0.2 A 48 ASN CG C 13 177.2 0.2 A 48 ASN N N 15 128.5 0.2 A 48 ASN ND2 N 15 111.7 0.2 A 49 GLY H H 1 8.60 0.02 A 49 GLY HAx H 1 3.51 0.02 A 49 GLY HAy H 1 4.11 0.02 A 49 GLY C C 13 173.6 0.2 A 49 GLY CA C 13 45.6 0.2 A 49 GLY N N 15 103.1 0.2 A 50 LYS H H 1 7.85 0.02 A 50 LYS HA H 1 4.62 0.02 A 50 LYS HBx H 1 1.76 0.02 A 50 LYS HBy H 1 1.82 0.02 A 50 LYS HDx H 1 1.73 0.02 A 50 LYS HDy H 1 1.73 0.02 A 50 LYS HEx H 1 3.09 0.02 A 50 LYS HEy H 1 3.09 0.02 A 50 LYS HGx H 1 1.44 0.02 A 50 LYS HGy H 1 1.44 0.02 A 50 LYS C C 13 174.6 0.2 A 50 LYS CA C 13 54.9 0.2 A 50 LYS CB C 13 35.1 0.2 A 50 LYS CD C 13 29.2 0.2 A 50 LYS CE C 13 42.4 0.2 A 50 LYS CG C 13 24.7 0.2 A 50 LYS N N 15 121.7 0.2 A 51 VAL H H 1 8.12 0.02 A 51 VAL HA H 1 5.10 0.02 A 51 VAL HB H 1 1.80 0.02 A 51 VAL HG1% H 1 0.76 0.02 A 51 VAL HG2% H 1 0.84 0.02 A 51 VAL C C 13 176.1 0.2 A 51 VAL CA C 13 60.7 0.2 A 51 VAL CB C 13 33.4 0.2 A 51 VAL CG1 C 13 21.2 0.2 A 51 VAL CG2 C 13 21.6 0.2 A 51 VAL N N 15 122.1 0.2 A 52 GLY H H 1 8.43 0.02 A 52 GLY HAx H 1 3.76 0.02 A 52 GLY HAy H 1 4.23 0.02 A 52 GLY C C 13 170.3 0.2 A 52 GLY CA C 13 45.6 0.2 A 52 GLY N N 15 113.1 0.2 A 53 TYR H H 1 9.26 0.02 A 53 TYR HA H 1 5.99 0.02 A 53 TYR HBx H 1 2.46 0.02 A 53 TYR HBy H 1 2.73 0.02 A 53 TYR HDx H 1 6.65 0.02 A 53 TYR HDy H 1 6.65 0.02 A 53 TYR HEx H 1 6.64 0.02 A 53 TYR HEy H 1 6.64 0.02 A 53 TYR C C 13 175.7 0.2 A 53 TYR CA C 13 56.8 0.2 A 53 TYR CB C 13 42.8 0.2 A 53 TYR CDx C 13 132.4 0.2 A 53 TYR CDy C 13 132.4 0.2 A 53 TYR CEx C 13 119.3 0.2 A 53 TYR CEy C 13 119.3 0.2 A 53 TYR N N 15 118.0 0.2 A 54 ALA H H 1 9.21 0.02 A 54 ALA HA H 1 5.28 0.02 A 54 ALA HB% H 1 1.33 0.02 A 54 ALA C C 13 175.8 0.2 A 54 ALA CA C 13 50.9 0.2 A 54 ALA CB C 13 23.8 0.2 A 54 ALA N N 15 122.0 0.2 A 55 SER H H 1 8.62 0.02 A 55 SER HA H 1 3.27 0.02 A 55 SER HBy H 1 3.52 0.02 A 55 SER HBx H 1 3.21 0.02 A 55 SER C C 13 175.4 0.2 A 55 SER CA C 13 59.1 0.2 A 55 SER CB C 13 63.2 0.2 A 55 SER N N 15 117.4 0.2 A 56 LYS H H 1 7.63 0.02 A 56 LYS HA H 1 3.75 0.02 A 56 LYS HBx H 1 0.93 0.02 A 56 LYS HBy H 1 1.00 0.02 A 56 LYS HDx H 1 1.13 0.02 A 56 LYS HDy H 1 1.23 0.02 A 56 LYS HEx H 1 2.73 0.02 A 56 LYS HEy H 1 2.73 0.02 A 56 LYS HGx H 1 0.62 0.02 A 56 LYS HGy H 1 0.82 0.02 A 56 LYS C C 13 177.1 0.2 A 56 LYS CA C 13 58.6 0.2 A 56 LYS CB C 13 32.3 0.2 A 56 LYS CD C 13 30.0 0.2 A 56 LYS CE C 13 41.7 0.2 A 56 LYS CG C 13 23.6 0.2 A 56 LYS N N 15 124.5 0.2 A 57 SER H H 1 7.67 0.02 A 57 SER HA H 1 3.93 0.02 A 57 SER HBx H 1 3.14 0.02 A 57 SER HBy H 1 3.31 0.02 A 57 SER C C 13 174.1 0.2 A 57 SER CA C 13 60.7 0.2 A 57 SER CB C 13 62.8 0.2 A 57 SER N N 15 112.0 0.2 A 58 TYR H H 1 6.99 0.02 A 58 TYR HA H 1 4.80 0.02 A 58 TYR HBx H 1 2.37 0.02 A 58 TYR HBy H 1 3.55 0.02 A 58 TYR HDx H 1 7.17 0.02 A 58 TYR HDy H 1 7.17 0.02 A 58 TYR HEx H 1 6.82 0.02 A 58 TYR HEy H 1 6.82 0.02 A 58 TYR C C 13 173.3 0.2 A 58 TYR CA C 13 57.4 0.2 A 58 TYR CB C 13 40.5 0.2 A 58 TYR CDx C 13 133.6 0.2 A 58 TYR CDy C 13 133.6 0.2 A 58 TYR CEx C 13 117.9 0.2 A 58 TYR CEy C 13 117.9 0.2 A 58 TYR N N 15 116.1 0.2 A 59 ILE H H 1 7.30 0.02 A 59 ILE HA H 1 4.79 0.02 A 59 ILE HB H 1 1.80 0.02 A 59 ILE HD1% H 1 0.71 0.02 A 59 ILE HG1x H 1 0.99 0.02 A 59 ILE HG1y H 1 1.51 0.02 A 59 ILE HG2% H 1 0.51 0.02 A 59 ILE C C 13 174.5 0.2 A 59 ILE CA C 13 59.3 0.2 A 59 ILE CB C 13 40.8 0.2 A 59 ILE CD1 C 13 13.7 0.2 A 59 ILE CG1 C 13 28.3 0.2 A 59 ILE CG2 C 13 18.0 0.2 A 59 ILE N N 15 119.0 0.2 A 60 THR H H 1 8.98 0.02 A 60 THR HA H 1 4.58 0.02 A 60 THR HB H 1 3.95 0.02 A 60 THR HG2% H 1 1.19 0.02 A 60 THR C C 13 173.8 0.2 A 60 THR CA C 13 60.8 0.2 A 60 THR CB C 13 71.1 0.2 A 60 THR CG2 C 13 21.6 0.2 A 60 THR N N 15 123.6 0.2 A 61 ILE H H 1 8.68 0.02 A 61 ILE HA H 1 4.18 0.02 A 61 ILE HB H 1 1.79 0.02 A 61 ILE HD1% H 1 0.74 0.02 A 61 ILE HG1y H 1 1.52 0.02 A 61 ILE HG1x H 1 1.07 0.02 A 61 ILE HG2% H 1 0.90 0.02 A 61 ILE C C 13 176.4 0.2 A 61 ILE CA C 13 61.8 0.2 A 61 ILE CB C 13 37.9 0.2 A 61 ILE CD1 C 13 12.6 0.2 A 61 ILE CG1 C 13 28.3 0.2 A 61 ILE CG2 C 13 17.9 0.2 A 61 ILE N N 15 127.2 0.2 A 62 VAL H H 1 8.37 0.02 A 62 VAL HA H 1 4.14 0.02 A 62 VAL HB H 1 1.93 0.02 A 62 VAL HG1% H 1 0.87 0.02 A 62 VAL HG2% H 1 0.81 0.02 A 62 VAL C C 13 175.2 0.2 A 62 VAL CA C 13 61.8 0.2 A 62 VAL CB C 13 33.2 0.2 A 62 VAL CG1 C 13 21.0 0.2 A 62 VAL CG2 C 13 20.8 0.2 A 62 VAL N N 15 126.6 0.2 A 63 ASN H H 1 8.59 0.02 A 63 ASN HA H 1 4.73 0.02 A 63 ASN HBx H 1 2.74 0.02 A 63 ASN HBy H 1 2.84 0.02 A 63 ASN HD21 H 1 7.62 0.02 A 63 ASN HD22 H 1 6.90 0.02 A 63 ASN C C 13 175.2 0.2 A 63 ASN CA C 13 53.2 0.2 A 63 ASN CB C 13 39.1 0.2 A 63 ASN CG C 13 177.0 0.2 A 63 ASN N N 15 123.5 0.2 A 63 ASN ND2 N 15 112.7 0.2 A 64 GLU H H 1 8.62 0.02 A 64 GLU HA H 1 4.25 0.02 A 64 GLU HBx H 1 1.95 0.02 A 64 GLU HBy H 1 2.08 0.02 A 64 GLU HGx H 1 2.25 0.02 A 64 GLU HGy H 1 2.25 0.02 A 64 GLU C C 13 177.0 0.2 A 64 GLU CA C 13 57.1 0.2 A 64 GLU CB C 13 30.4 0.2 A 64 GLU CG C 13 36.5 0.2 A 64 GLU N N 15 122.7 0.2 A 65 GLY H H 1 8.49 0.02 A 65 GLY HAx H 1 3.98 0.02 A 65 GLY HAy H 1 3.98 0.02 A 65 GLY C C 13 174.3 0.2 A 65 GLY CA C 13 45.5 0.2 A 65 GLY N N 15 109.6 0.2 A 66 SER H H 1 8.18 0.02 A 66 SER HA H 1 4.45 0.02 A 66 SER HBx H 1 3.87 0.02 A 66 SER HBy H 1 3.87 0.02 A 66 SER C C 13 174.9 0.2 A 66 SER CA C 13 58.3 0.2 A 66 SER CB C 13 63.7 0.2 A 66 SER N N 15 115.5 0.2 A 67 LEU H H 1 8.30 0.02 A 67 LEU HA H 1 4.30 0.02 A 67 LEU HBx H 1 1.53 0.02 A 67 LEU HBy H 1 1.61 0.02 A 67 LEU HD1% H 1 0.88 0.02 A 67 LEU HD2% H 1 0.84 0.02 A 67 LEU HG H 1 1.61 0.02 A 67 LEU C C 13 177.5 0.2 A 67 LEU CA C 13 55.4 0.2 A 67 LEU CB C 13 42.2 0.2 A 67 LEU CD1 C 13 25.0 0.2 A 67 LEU CD2 C 13 23.5 0.2 A 67 LEU CG C 13 26.9 0.2 A 67 LEU N N 15 123.8 0.2 A 68 GLU H H 1 8.27 0.02 A 68 GLU HA H 1 4.16 0.02 A 68 GLU HBx H 1 1.85 0.02 A 68 GLU HBy H 1 1.85 0.02 A 68 GLU HGx H 1 2.16 0.02 A 68 GLU HGy H 1 2.16 0.02 A 68 GLU CA C 13 56.9 0.2 A 68 GLU CB C 13 30.1 0.2 A 68 GLU CG C 13 36.1 0.2 A 68 GLU N N 15 120.7 0.2 A 69 HIS C C 13 173.9 0.2 A 70 HIS H H 1 8.14 0.02 A 70 HIS CA C 13 57.2 0.2 A 70 HIS CB C 13 30.2 0.2 A 70 HIS N N 15 125.4 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HA A 2 GLN H 1.0 1.8 3.65 2 2 A 35 ILE HB A 1 MET HBx 1.0 1.8 3.93 3 2 A 1 MET HBy A 35 ILE HB 1.0 1.8 3.93 4 3 A 35 ILE HD1% A 1 MET HBx 1.0 1.8 5.01 5 3 A 1 MET HBy A 35 ILE HD1% 1.0 1.8 5.01 6 4 A 35 ILE HG2% A 1 MET HBx 1.0 1.8 4.71 7 4 A 1 MET HBy A 35 ILE HG2% 1.0 1.8 4.71 8 5 A 35 ILE H A 1 MET HBx 1.0 1.8 4.81 9 5 A 1 MET HBy A 35 ILE H 1.0 1.8 4.81 10 6 A 61 ILE HG2% A 1 MET HBx 1.0 1.8 5.54 11 6 A 1 MET HBy A 61 ILE HG2% 1.0 1.8 5.54 12 7 A 35 ILE HG2% A 1 MET HE% 1.0 1.8 4.30 13 8 A 1 MET HE% A 61 ILE HD1% 1.0 1.8 5.25 14 9 A 61 ILE HG2% A 1 MET HE% 1.0 1.8 4.79 15 10 A 2 GLN H A 1 MET HGx 1.0 1.8 4.59 16 10 A 2 GLN H A 1 MET HGy 1.0 1.8 4.59 17 11 A 35 ILE HB A 1 MET HGx 1.0 1.8 4.71 18 11 A 35 ILE HB A 1 MET HGy 1.0 1.8 4.71 19 12 A 35 ILE HD1% A 1 MET HGx 1.0 1.8 5.01 20 12 A 35 ILE HD1% A 1 MET HGy 1.0 1.8 5.01 21 13 A 61 ILE HG2% A 1 MET HGy 1.0 1.8 4.79 22 14 A 61 ILE HG2% A 1 MET HGx 1.0 1.8 4.79 23 15 A 2 GLN HA A 3 GLY H 1.0 1.8 3.48 24 16 A 2 GLN HA A 34 GLU HA 1.0 1.8 4.03 25 17 A 35 ILE H A 2 GLN HA 1.0 1.8 4.30 26 18 A 3 GLY H A 2 GLN HBx 1.0 1.8 3.76 27 18 A 3 GLY H A 2 GLN HBy 1.0 1.8 3.76 28 19 A 62 VAL HG2% A 2 GLN HBx 1.0 1.8 3.94 29 19 A 2 GLN HBy A 62 VAL HG2% 1.0 1.8 3.94 30 20 A 3 GLY H A 2 GLN HGx 1.0 1.8 4.55 31 20 A 3 GLY H A 2 GLN HGy 1.0 1.8 4.55 32 21 A 62 VAL HG2% A 2 GLN HGx 1.0 1.8 5.84 33 21 A 62 VAL HG2% A 2 GLN HGy 1.0 1.8 5.84 34 22 A 2 GLN H A 2 GLN HBx 1.0 1.8 3.75 35 22 A 2 GLN H A 2 GLN HBy 1.0 1.8 3.75 36 23 A 2 GLN H A 2 GLN HGx 1.0 1.8 4.55 37 23 A 2 GLN H A 2 GLN HGy 1.0 1.8 4.55 38 24 A 33 VAL H A 3 GLY HAx 1.0 1.8 6.02 39 24 A 3 GLY HAy A 33 VAL H 1.0 1.8 6.02 40 25 A 3 GLY HAy A 4 VAL H 1.0 1.8 3.67 41 26 A 3 GLY HAy A 33 VAL HG2% 1.0 1.8 5.14 42 27 A 35 ILE HD1% A 3 GLY HAy 1.0 1.8 4.84 43 28 A 3 GLY HAy A 59 ILE HG2% 1.0 1.8 5.19 44 29 A 3 GLY HAy A 61 ILE HA 1.0 1.8 4.83 45 30 A 62 VAL HG2% A 3 GLY HAy 1.0 1.8 4.87 46 31 A 3 GLY HAy A 62 VAL H 1.0 1.8 5.10 47 32 A 4 VAL H A 3 GLY HAx 1.0 1.8 3.67 48 33 A 33 VAL HG2% A 3 GLY HAx 1.0 1.8 5.14 49 34 A 35 ILE HD1% A 3 GLY HAx 1.0 1.8 4.84 50 35 A 59 ILE HG2% A 3 GLY HAx 1.0 1.8 5.19 51 36 A 61 ILE HA A 3 GLY HAx 1.0 1.8 4.83 52 37 A 62 VAL HG2% A 3 GLY HAx 1.0 1.8 4.87 53 38 A 62 VAL H A 3 GLY HAx 1.0 1.8 5.10 54 39 A 3 GLY H A 33 VAL HG2% 1.0 1.8 4.09 55 40 A 3 GLY H A 33 VAL H 1.0 1.8 3.77 56 41 A 3 GLY H A 34 GLU HA 1.0 1.8 4.65 57 42 A 35 ILE HD1% A 3 GLY H 1.0 1.8 4.88 58 43 A 3 GLY H A 35 ILE HG1y 1.0 1.8 5.79 59 44 A 3 GLY H A 35 ILE HG1x 1.0 1.8 5.79 60 45 A 3 GLY H A 62 VAL HG2% 1.0 1.8 5.06 61 46 A 4 VAL HA A 4 VAL HG1% 1.0 1.8 3.87 62 47 A 4 VAL HA A 4 VAL HG2% 1.0 1.8 4.11 63 48 A 4 VAL HA A 5 VAL HG2% 1.0 1.8 4.52 64 49 A 4 VAL HA A 5 VAL H 1.0 1.8 3.15 65 50 A 4 VAL HA A 32 LYS HA 1.0 1.8 3.75 66 51 A 4 VAL HA A 32 LYS HDx 1.0 1.8 6.05 67 51 A 4 VAL HA A 32 LYS HDy 1.0 1.8 6.05 68 52 A 4 VAL HA A 33 VAL HG1% 1.0 1.8 5.22 69 53 A 33 VAL HG2% A 4 VAL HA 1.0 1.8 4.82 70 54 A 33 VAL H A 4 VAL HA 1.0 1.8 4.89 71 55 A 5 VAL H A 4 VAL HB 1.0 1.8 4.94 72 56 A 4 VAL HB A 30 ASN HA 1.0 1.8 6.05 73 57 A 4 VAL HB A 60 THR HB 1.0 1.8 5.25 74 58 A 4 VAL HB A 60 THR H 1.0 1.8 5.16 75 59 A 62 VAL HG2% A 4 VAL HB 1.0 1.8 4.98 76 60 A 4 VAL HG1% A 5 VAL H 1.0 1.8 3.77 77 61 A 4 VAL HG1% A 6 LYS HDx 1.0 1.8 4.73 78 61 A 4 VAL HG1% A 6 LYS HDy 1.0 1.8 4.73 79 62 A 4 VAL HG1% A 6 LYS HEx 1.0 1.8 5.03 80 62 A 4 VAL HG1% A 6 LYS HEy 1.0 1.8 5.03 81 63 A 4 VAL HG1% A 6 LYS HGx 1.0 1.8 4.76 82 63 A 4 VAL HG1% A 6 LYS HGy 1.0 1.8 4.76 83 64 A 4 VAL HG1% A 30 ASN HA 1.0 1.8 3.55 84 65 A 4 VAL HG1% A 30 ASN HBx 1.0 1.8 5.40 85 65 A 4 VAL HG1% A 30 ASN HBy 1.0 1.8 5.40 86 66 A 4 VAL HG1% A 30 ASN H 1.0 1.8 4.28 87 67 A 4 VAL HG1% A 31 ASP H 1.0 1.8 4.80 88 68 A 4 VAL HG1% A 32 LYS H 1.0 1.8 5.91 89 69 A 4 VAL HG1% A 60 THR HB 1.0 1.8 4.88 90 70 A 4 VAL HG1% A 60 THR H 1.0 1.8 4.75 91 71 A 4 VAL HG2% A 32 LYS HA 1.0 1.8 4.33 92 72 A 4 VAL HG2% A 32 LYS HDx 1.0 1.8 4.75 93 72 A 4 VAL HG2% A 32 LYS HDy 1.0 1.8 4.75 94 73 A 4 VAL HG2% A 32 LYS HEx 1.0 1.8 4.09 95 73 A 4 VAL HG2% A 32 LYS HEy 1.0 1.8 4.09 96 74 A 4 VAL HG2% A 32 LYS HGx 1.0 1.8 4.54 97 74 A 4 VAL HG2% A 32 LYS HGy 1.0 1.8 4.54 98 75 A 4 VAL HG2% A 32 LYS H 1.0 1.8 6.05 99 76 A 33 VAL H A 4 VAL HG2% 1.0 1.8 4.97 100 77 A 4 VAL H A 4 VAL HB 1.0 1.8 3.86 101 78 A 4 VAL H A 4 VAL HG2% 1.0 1.8 3.53 102 79 A 4 VAL H A 5 VAL HG2% 1.0 1.8 5.48 103 80 A 35 ILE HD1% A 4 VAL H 1.0 1.8 5.74 104 81 A 4 VAL H A 59 ILE HA 1.0 1.8 5.27 105 82 A 4 VAL H A 59 ILE HG2% 1.0 1.8 3.86 106 83 A 4 VAL H A 60 THR HB 1.0 1.8 6.03 107 84 A 4 VAL H A 60 THR HG2% 1.0 1.8 5.30 108 85 A 4 VAL H A 61 ILE HA 1.0 1.8 5.52 109 86 A 62 VAL HG2% A 4 VAL H 1.0 1.8 5.02 110 87 A 5 VAL HA A 5 VAL HG1% 1.0 1.8 3.70 111 88 A 5 VAL HG2% A 5 VAL HA 1.0 1.8 3.70 112 89 A 5 VAL HA A 6 LYS HBx 1.0 1.8 5.28 113 89 A 5 VAL HA A 6 LYS HBy 1.0 1.8 5.28 114 90 A 5 VAL HA A 6 LYS H 1.0 1.8 3.21 115 91 A 59 ILE HA A 5 VAL HA 1.0 1.8 3.93 116 92 A 5 VAL HA A 59 ILE HD1% 1.0 1.8 4.11 117 93 A 5 VAL HA A 59 ILE HG1y 1.0 1.8 4.65 118 93 A 5 VAL HA A 59 ILE HG1x 1.0 1.8 4.65 119 94 A 59 ILE HG2% A 5 VAL HA 1.0 1.8 5.13 120 95 A 5 VAL HA A 59 ILE H 1.0 1.8 6.05 121 96 A 60 THR H A 5 VAL HA 1.0 1.8 4.66 122 97 A 5 VAL HB A 27 LEU HBx 1.0 1.8 5.10 123 97 A 5 VAL HB A 27 LEU HBy 1.0 1.8 5.10 124 98 A 5 VAL HB A 29 ASN HA 1.0 1.8 4.96 125 99 A 30 ASN HA A 5 VAL HB 1.0 1.8 6.05 126 100 A 30 ASN H A 5 VAL HB 1.0 1.8 4.57 127 101 A 5 VAL HB A 31 ASP HBx 1.0 1.8 4.69 128 101 A 5 VAL HB A 31 ASP HBy 1.0 1.8 4.69 129 102 A 31 ASP H A 5 VAL HB 1.0 1.8 3.64 130 103 A 5 VAL HG1% A 6 LYS HA 1.0 1.8 4.70 131 104 A 5 VAL HG1% A 6 LYS H 1.0 1.8 3.70 132 105 A 5 VAL HG1% A 7 VAL HB 1.0 1.8 4.53 133 106 A 5 VAL HG1% A 7 VAL H 1.0 1.8 5.26 134 107 A 5 VAL HG1% A 27 LEU HBx 1.0 1.8 4.75 135 108 A 5 VAL HG1% A 27 LEU HBy 1.0 1.8 4.75 136 109 A 5 VAL HG1% A 28 ARG H 1.0 1.8 5.05 137 110 A 5 VAL HG1% A 29 ASN HA 1.0 1.8 4.00 138 111 A 30 ASN H A 5 VAL HG1% 1.0 1.8 5.47 139 112 A 5 VAL HG1% A 31 ASP HBx 1.0 1.8 5.25 140 112 A 5 VAL HG1% A 31 ASP HBy 1.0 1.8 5.25 141 113 A 31 ASP H A 5 VAL HG1% 1.0 1.8 5.07 142 114 A 5 VAL HG1% A 54 ALA HB% 1.0 1.8 5.07 143 115 A 5 VAL HG1% A 58 TYR HBy 1.0 1.8 4.06 144 115 A 5 VAL HG1% A 58 TYR HBx 1.0 1.8 4.06 145 116 A 5 VAL HG1% A 59 ILE HG1y 1.0 1.8 5.14 146 116 A 5 VAL HG1% A 59 ILE HG1x 1.0 1.8 5.14 147 117 A 5 VAL HG2% A 27 LEU HBx 1.0 1.8 5.16 148 118 A 5 VAL HG2% A 27 LEU HBy 1.0 1.8 5.16 149 119 A 5 VAL HG2% A 27 LEU HD1% 1.0 1.8 4.05 150 120 A 5 VAL HG2% A 27 LEU HD2% 1.0 1.8 4.33 151 121 A 5 VAL HG2% A 28 ARG H 1.0 1.8 5.60 152 122 A 5 VAL HG2% A 30 ASN H 1.0 1.8 6.05 153 123 A 5 VAL HG2% A 31 ASP HBx 1.0 1.8 3.85 154 123 A 5 VAL HG2% A 31 ASP HBy 1.0 1.8 3.85 155 124 A 5 VAL HG2% A 31 ASP H 1.0 1.8 4.44 156 125 A 5 VAL HG2% A 32 LYS H 1.0 1.8 6.05 157 126 A 33 VAL HG2% A 5 VAL HG2% 1.0 1.8 4.23 158 127 A 33 VAL H A 5 VAL HG2% 1.0 1.8 5.12 159 128 A 5 VAL HG2% A 54 ALA HB% 1.0 1.8 4.27 160 129 A 5 VAL HG2% A 59 ILE HG1y 1.0 1.8 4.59 161 129 A 5 VAL HG2% A 59 ILE HG1x 1.0 1.8 4.59 162 130 A 5 VAL H A 5 VAL HB 1.0 1.8 3.49 163 131 A 5 VAL H A 5 VAL HG1% 1.0 1.8 4.52 164 132 A 5 VAL HG2% A 5 VAL H 1.0 1.8 3.51 165 133 A 5 VAL H A 30 ASN H 1.0 1.8 5.73 166 134 A 5 VAL H A 31 ASP H 1.0 1.8 4.54 167 135 A 33 VAL HG2% A 5 VAL H 1.0 1.8 5.36 168 136 A 59 ILE HG2% A 5 VAL H 1.0 1.8 6.05 169 137 A 6 LYS HA A 6 LYS HDx 1.0 1.8 4.09 170 137 A 6 LYS HDy A 6 LYS HA 1.0 1.8 4.09 171 138 A 6 LYS HA A 6 LYS HGx 1.0 1.8 4.00 172 138 A 6 LYS HGy A 6 LYS HA 1.0 1.8 4.00 173 139 A 6 LYS HA A 7 VAL HG1% 1.0 1.8 5.03 174 139 A 6 LYS HA A 7 VAL HG2% 1.0 1.8 5.03 175 140 A 6 LYS HA A 7 VAL H 1.0 1.8 3.04 176 141 A 29 ASN HA A 6 LYS HA 1.0 1.8 4.61 177 142 A 30 ASN H A 6 LYS HA 1.0 1.8 4.62 178 143 A 6 LYS HBx A 6 LYS HDx 1.0 1.8 2.88 179 143 A 6 LYS HBy A 6 LYS HDx 1.0 1.8 2.88 180 143 A 6 LYS HDy A 6 LYS HBx 1.0 1.8 2.88 181 143 A 6 LYS HDy A 6 LYS HBy 1.0 1.8 2.88 182 144 A 7 VAL H A 6 LYS HBx 1.0 1.8 4.53 183 144 A 6 LYS HBy A 7 VAL H 1.0 1.8 4.53 184 145 A 30 ASN HA A 6 LYS HDx 1.0 1.8 5.87 185 145 A 30 ASN HA A 6 LYS HDy 1.0 1.8 5.87 186 146 A 7 VAL H A 6 LYS HGx 1.0 1.8 5.17 187 146 A 6 LYS HGy A 7 VAL H 1.0 1.8 5.17 188 147 A 6 LYS H A 6 LYS HBx 1.0 1.8 3.77 189 147 A 6 LYS HBy A 6 LYS H 1.0 1.8 3.77 190 148 A 6 LYS H A 6 LYS HGx 1.0 1.8 4.71 191 148 A 6 LYS HGy A 6 LYS H 1.0 1.8 4.71 192 149 A 6 LYS H A 58 TYR HBy 1.0 1.8 4.89 193 149 A 6 LYS H A 58 TYR HBx 1.0 1.8 4.89 194 150 A 7 VAL HA A 7 VAL HG1% 1.0 1.8 3.41 195 150 A 7 VAL HG2% A 7 VAL HA 1.0 1.8 3.41 196 151 A 7 VAL HA A 58 TYR HD% 1.0 1.8 4.81 197 152 A 7 VAL HB A 8 ASN H 1.0 1.8 5.90 198 153 A 7 VAL HB A 58 TYR HBy 1.0 1.8 4.99 199 153 A 7 VAL HB A 58 TYR HBx 1.0 1.8 4.99 200 154 A 7 VAL HB A 58 TYR HD% 1.0 1.8 5.60 201 155 A 8 ASN H A 7 VAL HG1% 1.0 1.8 5.70 202 155 A 7 VAL HG2% A 8 ASN H 1.0 1.8 5.70 203 156 A 9 SER H A 7 VAL HG1% 1.0 1.8 5.03 204 156 A 7 VAL HG2% A 9 SER H 1.0 1.8 5.03 205 157 A 10 ALA H A 7 VAL HG1% 1.0 1.8 4.89 206 157 A 7 VAL HG2% A 10 ALA H 1.0 1.8 4.89 207 158 A 11 LEU HA A 7 VAL HG1% 1.0 1.8 4.65 208 158 A 7 VAL HG2% A 11 LEU HA 1.0 1.8 4.65 209 159 A 7 VAL HG2% A 11 LEU HBx 1.0 1.8 3.54 210 159 A 7 VAL HG1% A 11 LEU HBx 1.0 1.8 3.54 211 159 A 11 LEU HBy A 7 VAL HG1% 1.0 1.8 3.54 212 159 A 7 VAL HG2% A 11 LEU HBy 1.0 1.8 3.54 213 160 A 11 LEU HD1% A 7 VAL HG1% 1.0 1.8 3.34 214 160 A 7 VAL HG2% A 11 LEU HD1% 1.0 1.8 3.34 215 161 A 11 LEU H A 7 VAL HG1% 1.0 1.8 4.02 216 161 A 7 VAL HG2% A 11 LEU H 1.0 1.8 4.02 217 162 A 28 ARG HA A 7 VAL HG1% 1.0 1.8 4.60 218 162 A 7 VAL HG2% A 28 ARG HA 1.0 1.8 4.60 219 163 A 29 ASN HA A 7 VAL HG1% 1.0 1.8 4.00 220 163 A 29 ASN HA A 7 VAL HG2% 1.0 1.8 4.00 221 164 A 7 VAL HG1% A 29 ASN HBx 1.0 1.8 4.03 222 164 A 7 VAL HG2% A 29 ASN HBx 1.0 1.8 4.03 223 164 A 29 ASN HBy A 7 VAL HG1% 1.0 1.8 4.03 224 164 A 7 VAL HG2% A 29 ASN HBy 1.0 1.8 4.03 225 165 A 29 ASN H A 7 VAL HG1% 1.0 1.8 3.84 226 165 A 7 VAL HG2% A 29 ASN H 1.0 1.8 3.84 227 166 A 30 ASN H A 7 VAL HG1% 1.0 1.8 5.85 228 166 A 30 ASN H A 7 VAL HG2% 1.0 1.8 5.85 229 167 A 58 TYR HA A 7 VAL HG1% 1.0 1.8 5.17 230 167 A 7 VAL HG2% A 58 TYR HA 1.0 1.8 5.17 231 168 A 7 VAL HG2% A 58 TYR HBy 1.0 1.8 5.31 232 168 A 7 VAL HG1% A 58 TYR HBy 1.0 1.8 5.31 233 169 A 58 TYR HBx A 7 VAL HG1% 1.0 1.8 5.31 234 169 A 58 TYR HBx A 7 VAL HG2% 1.0 1.8 5.31 235 170 A 58 TYR HD% A 7 VAL HG1% 1.0 1.8 3.73 236 170 A 7 VAL HG2% A 58 TYR HD% 1.0 1.8 3.73 237 171 A 58 TYR HE% A 7 VAL HG1% 1.0 1.8 4.75 238 171 A 7 VAL HG2% A 58 TYR HE% 1.0 1.8 4.75 239 172 A 7 VAL H A 7 VAL HG1% 1.0 1.8 3.49 240 172 A 7 VAL H A 7 VAL HG2% 1.0 1.8 3.49 241 173 A 29 ASN HA A 7 VAL H 1.0 1.8 4.22 242 174 A 7 VAL H A 29 ASN HBx 1.0 1.8 4.27 243 174 A 7 VAL H A 29 ASN HBy 1.0 1.8 4.27 244 175 A 30 ASN H A 7 VAL H 1.0 1.8 6.02 245 176 A 8 ASN HA A 29 ASN HBx 1.0 1.8 5.86 246 176 A 29 ASN HBy A 8 ASN HA 1.0 1.8 5.86 247 177 A 10 ALA HB% A 9 SER HBx 1.0 1.8 5.38 248 177 A 9 SER HBy A 10 ALA HB% 1.0 1.8 5.38 249 178 A 10 ALA H A 9 SER HBx 1.0 1.8 4.46 250 178 A 10 ALA H A 9 SER HBy 1.0 1.8 4.46 251 179 A 11 LEU H A 10 ALA HA 1.0 1.8 3.04 252 180 A 11 LEU H A 10 ALA HB% 1.0 1.8 3.87 253 181 A 10 ALA HB% A 26 THR HB 1.0 1.8 4.40 254 182 A 10 ALA HB% A 28 ARG HDx 1.0 1.8 4.98 255 182 A 10 ALA HB% A 28 ARG HDy 1.0 1.8 4.98 256 183 A 10 ALA HB% A 28 ARG HGx 1.0 1.8 4.82 257 183 A 10 ALA HB% A 28 ARG HGy 1.0 1.8 4.82 258 184 A 11 LEU HA A 11 LEU HD1% 1.0 1.8 3.60 259 185 A 11 LEU HA A 11 LEU HD2% 1.0 1.8 4.91 260 186 A 11 LEU HA A 12 ASN H 1.0 1.8 3.22 261 187 A 11 LEU HD2% A 11 LEU HBx 1.0 1.8 3.54 262 187 A 11 LEU HBy A 11 LEU HD2% 1.0 1.8 3.54 263 188 A 12 ASN H A 11 LEU HBx 1.0 1.8 4.31 264 188 A 11 LEU HBy A 12 ASN H 1.0 1.8 4.31 265 189 A 11 LEU HBy A 27 LEU HBx 1.0 1.8 4.58 266 189 A 11 LEU HBx A 27 LEU HBx 1.0 1.8 4.58 267 189 A 27 LEU HBy A 11 LEU HBx 1.0 1.8 4.58 268 189 A 27 LEU HBy A 11 LEU HBy 1.0 1.8 4.58 269 190 A 27 LEU HD1% A 11 LEU HBx 1.0 1.8 4.86 270 190 A 27 LEU HD1% A 11 LEU HBy 1.0 1.8 4.86 271 191 A 27 LEU H A 11 LEU HBx 1.0 1.8 5.19 272 191 A 11 LEU HBy A 27 LEU H 1.0 1.8 5.19 273 192 A 11 LEU HD1% A 12 ASN H 1.0 1.8 3.99 274 193 A 11 LEU HD1% A 55 SER HBy 1.0 1.8 4.65 275 193 A 11 LEU HD1% A 55 SER HBx 1.0 1.8 4.65 276 194 A 11 LEU HD1% A 55 SER H 1.0 1.8 4.88 277 195 A 11 LEU HD1% A 58 TYR HBy 1.0 1.8 4.47 278 196 A 58 TYR HBx A 11 LEU HD1% 1.0 1.8 4.47 279 197 A 58 TYR HD% A 11 LEU HD1% 1.0 1.8 3.82 280 198 A 11 LEU HD1% A 58 TYR HE% 1.0 1.8 4.38 281 199 A 11 LEU HD2% A 27 LEU HBx 1.0 1.8 4.25 282 199 A 27 LEU HBy A 11 LEU HD2% 1.0 1.8 4.25 283 200 A 11 LEU HD2% A 27 LEU H 1.0 1.8 5.63 284 201 A 54 ALA HB% A 11 LEU HD2% 1.0 1.8 4.11 285 202 A 11 LEU HD2% A 55 SER HBy 1.0 1.8 5.56 286 202 A 11 LEU HD2% A 55 SER HBx 1.0 1.8 5.56 287 203 A 11 LEU HD2% A 55 SER H 1.0 1.8 5.26 288 204 A 11 LEU HD2% A 58 TYR HBy 1.0 1.8 4.72 289 205 A 58 TYR HBx A 11 LEU HD2% 1.0 1.8 4.72 290 206 A 58 TYR HD% A 11 LEU HD2% 1.0 1.8 5.32 291 207 A 11 LEU HD2% A 58 TYR H 1.0 1.8 5.48 292 208 A 12 ASN H A 11 LEU HG 1.0 1.8 4.40 293 209 A 11 LEU HG A 58 TYR HBy 1.0 1.8 6.05 294 209 A 58 TYR HBx A 11 LEU HG 1.0 1.8 6.05 295 210 A 11 LEU H A 11 LEU HBx 1.0 1.8 3.31 296 210 A 11 LEU HBy A 11 LEU H 1.0 1.8 3.31 297 211 A 11 LEU H A 27 LEU HBx 1.0 1.8 4.41 298 211 A 27 LEU HBy A 11 LEU H 1.0 1.8 4.41 299 212 A 12 ASN HA A 13 MET H 1.0 1.8 3.06 300 213 A 12 ASN HA A 23 VAL HG1% 1.0 1.8 5.87 301 214 A 12 ASN HA A 25 GLY H 1.0 1.8 5.50 302 215 A 12 ASN HA A 26 THR HA 1.0 1.8 4.16 303 216 A 12 ASN HA A 26 THR HG2% 1.0 1.8 4.21 304 217 A 27 LEU H A 12 ASN HA 1.0 1.8 5.37 305 218 A 13 MET H A 12 ASN HBx 1.0 1.8 4.17 306 218 A 13 MET H A 12 ASN HBy 1.0 1.8 4.17 307 219 A 23 VAL HG2% A 12 ASN HBx 1.0 1.8 3.39 308 219 A 12 ASN HBy A 23 VAL HG2% 1.0 1.8 3.39 309 220 A 23 VAL HG2% A 12 ASN HD2y 1.0 1.8 4.83 310 220 A 23 VAL HG2% A 12 ASN HD2x 1.0 1.8 4.83 311 221 A 12 ASN H A 12 ASN HBx 1.0 1.8 3.56 312 221 A 12 ASN H A 12 ASN HBy 1.0 1.8 3.56 313 222 A 12 ASN H A 12 ASN HD2y 1.0 1.8 5.30 314 222 A 12 ASN H A 12 ASN HD2x 1.0 1.8 5.30 315 223 A 13 MET HA A 14 ARG H 1.0 1.8 3.42 316 224 A 27 LEU HD1% A 13 MET HA 1.0 1.8 5.07 317 225 A 13 MET HA A 53 TYR H 1.0 1.8 5.70 318 226 A 13 MET HA A 54 ALA HA 1.0 1.8 5.12 319 227 A 54 ALA HB% A 13 MET HA 1.0 1.8 4.53 320 228 A 24 ILE HD1% A 13 MET HBy 1.0 1.8 4.00 321 228 A 13 MET HBx A 24 ILE HD1% 1.0 1.8 4.00 322 229 A 13 MET HBy A 24 ILE HG1x 1.0 1.8 5.52 323 229 A 13 MET HBx A 24 ILE HG1x 1.0 1.8 5.52 324 229 A 24 ILE HG1y A 13 MET HBy 1.0 1.8 5.52 325 229 A 13 MET HBx A 24 ILE HG1y 1.0 1.8 5.52 326 230 A 13 MET HBy A 25 GLY HAx 1.0 1.8 5.87 327 230 A 25 GLY HAy A 13 MET HBy 1.0 1.8 5.87 328 230 A 13 MET HBx A 25 GLY HAy 1.0 1.8 5.87 329 230 A 13 MET HBx A 25 GLY HAx 1.0 1.8 5.87 330 231 A 27 LEU HG A 13 MET HBy 1.0 1.8 4.50 331 231 A 13 MET HBx A 27 LEU HG 1.0 1.8 4.50 332 232 A 24 ILE H A 13 MET HBy 1.0 1.8 5.94 333 233 A 25 GLY H A 13 MET HBy 1.0 1.8 4.77 334 234 A 27 LEU HD1% A 13 MET HBy 1.0 1.8 5.13 335 235 A 13 MET HBx A 24 ILE H 1.0 1.8 5.94 336 236 A 25 GLY H A 13 MET HBx 1.0 1.8 4.77 337 237 A 27 LEU HD1% A 13 MET HBx 1.0 1.8 5.13 338 238 A 13 MET HE% A 15 SER H 1.0 1.8 6.05 339 239 A 24 ILE HD1% A 13 MET HE% 1.0 1.8 3.73 340 240 A 13 MET HE% A 24 ILE HG1x 1.0 1.8 5.04 341 240 A 24 ILE HG1y A 13 MET HE% 1.0 1.8 5.04 342 241 A 13 MET HE% A 24 ILE HG2% 1.0 1.8 4.48 343 242 A 27 LEU HD1% A 13 MET HE% 1.0 1.8 4.54 344 243 A 27 LEU HD2% A 13 MET HE% 1.0 1.8 4.57 345 244 A 13 MET HE% A 45 ILE HD1% 1.0 1.8 5.33 346 245 A 13 MET HE% A 45 ILE HG1x 1.0 1.8 4.09 347 245 A 13 MET HE% A 45 ILE HG1y 1.0 1.8 4.09 348 246 A 13 MET HE% A 47 PHE HBy 1.0 1.8 4.66 349 247 A 13 MET HE% A 47 PHE HBx 1.0 1.8 4.66 350 248 A 13 MET HE% A 47 PHE HD% 1.0 1.8 5.33 351 249 A 13 MET HE% A 47 PHE H 1.0 1.8 5.00 352 250 A 13 MET HE% A 50 LYS HDx 1.0 1.8 4.55 353 250 A 13 MET HE% A 50 LYS HDy 1.0 1.8 4.55 354 251 A 13 MET HE% A 51 VAL HA 1.0 1.8 5.16 355 252 A 13 MET HE% A 52 GLY HAy 1.0 1.8 4.87 356 253 A 13 MET HE% A 52 GLY HAx 1.0 1.8 4.87 357 254 A 13 MET HE% A 52 GLY H 1.0 1.8 4.23 358 255 A 53 TYR H A 13 MET HE% 1.0 1.8 5.31 359 256 A 13 MET HE% A 13 MET HGx 1.0 1.8 3.74 360 256 A 13 MET HE% A 13 MET HGy 1.0 1.8 3.74 361 257 A 14 ARG H A 13 MET HGx 1.0 1.8 4.52 362 257 A 14 ARG H A 13 MET HGy 1.0 1.8 4.52 363 258 A 24 ILE HD1% A 13 MET HGx 1.0 1.8 4.16 364 258 A 24 ILE HD1% A 13 MET HGy 1.0 1.8 4.16 365 259 A 27 LEU HD1% A 13 MET HGx 1.0 1.8 4.36 366 259 A 27 LEU HD1% A 13 MET HGy 1.0 1.8 4.36 367 260 A 27 LEU HD2% A 13 MET HGx 1.0 1.8 4.73 368 260 A 27 LEU HD2% A 13 MET HGy 1.0 1.8 4.73 369 261 A 27 LEU HG A 13 MET HGx 1.0 1.8 4.43 370 261 A 27 LEU HG A 13 MET HGy 1.0 1.8 4.43 371 262 A 45 ILE HD1% A 13 MET HGx 1.0 1.8 4.17 372 262 A 45 ILE HD1% A 13 MET HGy 1.0 1.8 4.17 373 263 A 52 GLY HAy A 13 MET HGx 1.0 1.8 5.52 374 263 A 13 MET HGy A 52 GLY HAy 1.0 1.8 5.52 375 264 A 13 MET HGy A 52 GLY HAx 1.0 1.8 5.52 376 264 A 13 MET HGx A 52 GLY HAx 1.0 1.8 5.52 377 265 A 53 TYR H A 13 MET HGx 1.0 1.8 4.26 378 265 A 53 TYR H A 13 MET HGy 1.0 1.8 4.26 379 266 A 54 ALA HB% A 13 MET HGx 1.0 1.8 4.51 380 266 A 54 ALA HB% A 13 MET HGy 1.0 1.8 4.51 381 267 A 13 MET H A 13 MET HBy 1.0 1.8 3.90 382 268 A 13 MET H A 13 MET HBx 1.0 1.8 3.90 383 269 A 13 MET H A 13 MET HGx 1.0 1.8 4.99 384 269 A 13 MET H A 13 MET HGy 1.0 1.8 4.99 385 270 A 13 MET H A 14 ARG H 1.0 1.8 5.49 386 271 A 13 MET H A 23 VAL HG1% 1.0 1.8 5.56 387 272 A 13 MET H A 23 VAL HG2% 1.0 1.8 3.79 388 273 A 13 MET H A 25 GLY H 1.0 1.8 4.46 389 274 A 13 MET H A 26 THR HA 1.0 1.8 4.44 390 275 A 15 SER H A 14 ARG HA 1.0 1.8 3.38 391 276 A 14 ARG HA A 16 GLY H 1.0 1.8 5.16 392 277 A 14 ARG HA A 23 VAL HA 1.0 1.8 3.73 393 278 A 23 VAL HG2% A 14 ARG HA 1.0 1.8 4.72 394 279 A 14 ARG HA A 24 ILE HG1x 1.0 1.8 4.76 395 279 A 24 ILE HG1y A 14 ARG HA 1.0 1.8 4.76 396 280 A 24 ILE HG2% A 14 ARG HA 1.0 1.8 5.87 397 281 A 24 ILE H A 14 ARG HA 1.0 1.8 3.99 398 282 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 4.47 399 282 A 14 ARG HBy A 14 ARG HDy 1.0 1.8 4.47 400 283 A 14 ARG HBy A 14 ARG HDx 1.0 1.8 4.47 401 283 A 14 ARG HDx A 14 ARG HBx 1.0 1.8 4.47 402 284 A 15 SER H A 14 ARG HBx 1.0 1.8 3.84 403 284 A 15 SER H A 14 ARG HBy 1.0 1.8 3.84 404 285 A 16 GLY H A 14 ARG HBx 1.0 1.8 3.83 405 285 A 16 GLY H A 14 ARG HBy 1.0 1.8 3.83 406 286 A 18 GLY H A 14 ARG HBx 1.0 1.8 5.21 407 286 A 14 ARG HBy A 18 GLY H 1.0 1.8 5.21 408 287 A 14 ARG HBx A 21 TYR HBy 1.0 1.8 5.24 409 287 A 14 ARG HBy A 21 TYR HBy 1.0 1.8 5.24 410 288 A 21 TYR HBx A 14 ARG HBx 1.0 1.8 5.24 411 288 A 14 ARG HBy A 21 TYR HBx 1.0 1.8 5.24 412 289 A 21 TYR H A 14 ARG HBx 1.0 1.8 6.04 413 289 A 14 ARG HBy A 21 TYR H 1.0 1.8 6.04 414 290 A 42 TRP HZ3 A 14 ARG HBx 1.0 1.8 5.07 415 290 A 14 ARG HBy A 42 TRP HZ3 1.0 1.8 5.07 416 291 A 14 ARG HBx A 53 TYR HBy 1.0 1.8 5.74 417 291 A 14 ARG HBy A 53 TYR HBy 1.0 1.8 5.74 418 291 A 53 TYR HBx A 14 ARG HBx 1.0 1.8 5.74 419 291 A 14 ARG HBy A 53 TYR HBx 1.0 1.8 5.74 420 292 A 53 TYR H A 14 ARG HBx 1.0 1.8 5.29 421 292 A 53 TYR H A 14 ARG HBy 1.0 1.8 5.29 422 293 A 18 GLY H A 14 ARG HDy 1.0 1.8 5.05 423 293 A 18 GLY H A 14 ARG HDx 1.0 1.8 5.05 424 294 A 23 VAL HG2% A 14 ARG HDy 1.0 1.8 5.82 425 294 A 23 VAL HG2% A 14 ARG HDx 1.0 1.8 5.82 426 295 A 42 TRP HH2 A 14 ARG HDy 1.0 1.8 4.38 427 295 A 14 ARG HDx A 42 TRP HH2 1.0 1.8 4.38 428 296 A 42 TRP HZ3 A 14 ARG HDy 1.0 1.8 5.79 429 296 A 42 TRP HZ3 A 14 ARG HDx 1.0 1.8 5.79 430 297 A 19 SER HA A 14 ARG HDy 1.0 1.8 4.82 431 298 A 14 ARG HDx A 19 SER HA 1.0 1.8 4.82 432 299 A 15 SER H A 14 ARG HGy 1.0 1.8 4.96 433 299 A 15 SER H A 14 ARG HGx 1.0 1.8 4.96 434 300 A 18 GLY H A 14 ARG HGy 1.0 1.8 5.68 435 300 A 18 GLY H A 14 ARG HGx 1.0 1.8 5.68 436 301 A 23 VAL HA A 14 ARG HGy 1.0 1.8 4.61 437 301 A 23 VAL HA A 14 ARG HGx 1.0 1.8 4.61 438 302 A 24 ILE H A 14 ARG HGy 1.0 1.8 5.87 439 302 A 24 ILE H A 14 ARG HGx 1.0 1.8 5.87 440 303 A 42 TRP HH2 A 14 ARG HGy 1.0 1.8 5.75 441 303 A 42 TRP HH2 A 14 ARG HGx 1.0 1.8 5.75 442 304 A 42 TRP HZ3 A 14 ARG HGy 1.0 1.8 4.92 443 304 A 42 TRP HZ3 A 14 ARG HGx 1.0 1.8 4.92 444 305 A 16 GLY H A 14 ARG HGy 1.0 1.8 6.05 445 306 A 16 GLY H A 14 ARG HGx 1.0 1.8 6.05 446 307 A 14 ARG H A 14 ARG HGy 1.0 1.8 4.47 447 307 A 14 ARG H A 14 ARG HGx 1.0 1.8 4.47 448 308 A 14 ARG H A 42 TRP HE3 1.0 1.8 6.05 449 309 A 14 ARG H A 53 TYR HBy 1.0 1.8 5.54 450 309 A 14 ARG H A 53 TYR HBx 1.0 1.8 5.54 451 310 A 14 ARG H A 53 TYR H 1.0 1.8 3.96 452 311 A 14 ARG H A 54 ALA HA 1.0 1.8 6.03 453 312 A 54 ALA HB% A 14 ARG H 1.0 1.8 5.81 454 313 A 24 ILE HD1% A 15 SER HA 1.0 1.8 3.87 455 314 A 24 ILE HG2% A 15 SER HA 1.0 1.8 4.98 456 315 A 15 SER HA A 52 GLY HAy 1.0 1.8 5.47 457 316 A 15 SER HA A 52 GLY HAx 1.0 1.8 5.47 458 317 A 15 SER HA A 53 TYR HD% 1.0 1.8 5.03 459 318 A 24 ILE HD1% A 15 SER HBy 1.0 1.8 3.63 460 318 A 24 ILE HD1% A 15 SER HBx 1.0 1.8 3.63 461 319 A 15 SER HBy A 24 ILE HG1x 1.0 1.8 4.95 462 319 A 15 SER HBx A 24 ILE HG1x 1.0 1.8 4.95 463 319 A 24 ILE HG1y A 15 SER HBy 1.0 1.8 4.95 464 319 A 24 ILE HG1y A 15 SER HBx 1.0 1.8 4.95 465 320 A 24 ILE HG2% A 15 SER HBy 1.0 1.8 3.96 466 320 A 24 ILE HG2% A 15 SER HBx 1.0 1.8 3.96 467 321 A 15 SER H A 15 SER HBy 1.0 1.8 3.54 468 321 A 15 SER H A 15 SER HBx 1.0 1.8 3.54 469 322 A 15 SER H A 16 GLY H 1.0 1.8 4.18 470 323 A 15 SER H A 21 TYR HBy 1.0 1.8 5.32 471 324 A 15 SER H A 21 TYR HBx 1.0 1.8 5.32 472 325 A 15 SER H A 22 GLY H 1.0 1.8 5.55 473 326 A 24 ILE HD1% A 15 SER H 1.0 1.8 4.20 474 327 A 16 GLY HAx A 17 PRO HDy 1.0 1.8 3.99 475 327 A 16 GLY HAy A 17 PRO HDy 1.0 1.8 3.99 476 327 A 17 PRO HDx A 16 GLY HAx 1.0 1.8 3.99 477 327 A 16 GLY HAy A 17 PRO HDx 1.0 1.8 3.99 478 328 A 16 GLY HAx A 17 PRO HGx 1.0 1.8 5.16 479 328 A 16 GLY HAy A 17 PRO HGx 1.0 1.8 5.16 480 328 A 17 PRO HGy A 16 GLY HAx 1.0 1.8 5.16 481 328 A 16 GLY HAy A 17 PRO HGy 1.0 1.8 5.16 482 329 A 21 TYR HD% A 16 GLY HAx 1.0 1.8 4.40 483 329 A 16 GLY HAy A 21 TYR HD% 1.0 1.8 4.40 484 330 A 21 TYR HE% A 16 GLY HAx 1.0 1.8 4.41 485 330 A 16 GLY HAy A 21 TYR HE% 1.0 1.8 4.41 486 331 A 16 GLY HAy A 17 PRO HDx 1.0 1.8 4.40 487 331 A 16 GLY HAy A 17 PRO HDy 1.0 1.8 4.40 488 332 A 53 TYR HD% A 16 GLY HAy 1.0 1.8 4.91 489 333 A 16 GLY HAy A 53 TYR HE% 1.0 1.8 5.62 490 334 A 17 PRO HDx A 16 GLY HAx 1.0 1.8 4.40 491 334 A 16 GLY HAx A 17 PRO HDy 1.0 1.8 4.40 492 335 A 53 TYR HD% A 16 GLY HAx 1.0 1.8 4.91 493 336 A 53 TYR HE% A 16 GLY HAx 1.0 1.8 5.62 494 337 A 16 GLY H A 17 PRO HDy 1.0 1.8 6.05 495 337 A 16 GLY H A 17 PRO HDx 1.0 1.8 6.05 496 338 A 16 GLY H A 21 TYR HBy 1.0 1.8 4.29 497 339 A 16 GLY H A 21 TYR HBx 1.0 1.8 4.29 498 340 A 16 GLY H A 53 TYR HBy 1.0 1.8 5.19 499 340 A 16 GLY H A 53 TYR HBx 1.0 1.8 5.19 500 341 A 18 GLY H A 17 PRO HA 1.0 1.8 3.37 501 342 A 17 PRO HA A 42 TRP HBy 1.0 1.8 4.69 502 342 A 17 PRO HA A 42 TRP HBx 1.0 1.8 4.69 503 343 A 17 PRO HA A 42 TRP HE1 1.0 1.8 6.05 504 344 A 42 TRP HE3 A 17 PRO HA 1.0 1.8 5.40 505 345 A 17 PRO HA A 53 TYR HBy 1.0 1.8 5.04 506 346 A 53 TYR HBx A 17 PRO HA 1.0 1.8 5.04 507 347 A 39 VAL HB A 17 PRO HBy 1.0 1.8 5.03 508 347 A 17 PRO HBx A 39 VAL HB 1.0 1.8 5.03 509 348 A 39 VAL HG1% A 17 PRO HBy 1.0 1.8 5.04 510 348 A 17 PRO HBx A 39 VAL HG1% 1.0 1.8 5.04 511 349 A 17 PRO HBy A 40 ASP HBy 1.0 1.8 5.57 512 349 A 17 PRO HBx A 40 ASP HBy 1.0 1.8 5.57 513 349 A 40 ASP HBx A 17 PRO HBy 1.0 1.8 5.57 514 349 A 17 PRO HBx A 40 ASP HBx 1.0 1.8 5.57 515 350 A 17 PRO HBy A 42 TRP HBy 1.0 1.8 5.21 516 350 A 17 PRO HBx A 42 TRP HBy 1.0 1.8 5.21 517 350 A 42 TRP HBx A 17 PRO HBy 1.0 1.8 5.21 518 350 A 42 TRP HBx A 17 PRO HBx 1.0 1.8 5.21 519 351 A 53 TYR HD% A 17 PRO HBy 1.0 1.8 6.05 520 351 A 53 TYR HD% A 17 PRO HBx 1.0 1.8 6.05 521 352 A 53 TYR HE% A 17 PRO HBy 1.0 1.8 6.05 522 352 A 53 TYR HE% A 17 PRO HBx 1.0 1.8 6.05 523 353 A 42 TRP HD1 A 17 PRO HBy 1.0 1.8 5.01 524 354 A 17 PRO HBx A 42 TRP HD1 1.0 1.8 5.01 525 355 A 39 VAL HG1% A 17 PRO HDy 1.0 1.8 5.33 526 355 A 17 PRO HDx A 39 VAL HG1% 1.0 1.8 5.33 527 356 A 21 TYR HE% A 17 PRO HDy 1.0 1.8 5.41 528 357 A 53 TYR HD% A 17 PRO HDy 1.0 1.8 6.05 529 358 A 53 TYR HE% A 17 PRO HDy 1.0 1.8 5.86 530 359 A 17 PRO HDx A 21 TYR HE% 1.0 1.8 5.41 531 360 A 53 TYR HD% A 17 PRO HDx 1.0 1.8 6.05 532 361 A 17 PRO HDx A 53 TYR HE% 1.0 1.8 5.86 533 362 A 39 VAL HG1% A 17 PRO HGx 1.0 1.8 4.65 534 362 A 17 PRO HGy A 39 VAL HG1% 1.0 1.8 4.65 535 363 A 20 ASN H A 18 GLY HAx 1.0 1.8 4.97 536 363 A 18 GLY HAy A 20 ASN H 1.0 1.8 4.97 537 364 A 21 TYR HE% A 18 GLY HAx 1.0 1.8 4.55 538 364 A 21 TYR HE% A 18 GLY HAy 1.0 1.8 4.55 539 365 A 21 TYR H A 18 GLY HAx 1.0 1.8 5.64 540 365 A 21 TYR H A 18 GLY HAy 1.0 1.8 5.64 541 366 A 21 TYR HD% A 18 GLY HAx 1.0 1.8 5.16 542 366 A 21 TYR HD% A 18 GLY HAy 1.0 1.8 5.16 543 367 A 42 TRP HZ2 A 18 GLY HAx 1.0 1.8 5.33 544 367 A 18 GLY HAy A 42 TRP HZ2 1.0 1.8 5.33 545 368 A 42 TRP HE1 A 18 GLY HAx 1.0 1.8 5.98 546 368 A 42 TRP HE1 A 18 GLY HAy 1.0 1.8 5.98 547 369 A 18 GLY H A 21 TYR HBy 1.0 1.8 5.65 548 369 A 18 GLY H A 21 TYR HBx 1.0 1.8 5.65 549 370 A 18 GLY H A 42 TRP HH2 1.0 1.8 5.82 550 371 A 18 GLY H A 42 TRP HZ3 1.0 1.8 5.62 551 372 A 42 TRP HH2 A 19 SER HA 1.0 1.8 4.69 552 373 A 42 TRP HZ2 A 19 SER HBx 1.0 1.8 5.13 553 373 A 42 TRP HZ2 A 19 SER HBy 1.0 1.8 5.13 554 374 A 19 SER H A 19 SER HBx 1.0 1.8 3.83 555 374 A 19 SER HBy A 19 SER H 1.0 1.8 3.83 556 375 A 20 ASN H A 19 SER H 1.0 1.8 4.37 557 376 A 42 TRP HH2 A 19 SER H 1.0 1.8 5.79 558 377 A 42 TRP HZ2 A 19 SER H 1.0 1.8 4.58 559 378 A 20 ASN H A 20 ASN HBx 1.0 1.8 3.87 560 378 A 20 ASN H A 20 ASN HBy 1.0 1.8 3.87 561 379 A 21 TYR HD% A 20 ASN H 1.0 1.8 5.24 562 380 A 21 TYR H A 20 ASN H 1.0 1.8 4.02 563 381 A 21 TYR HD% A 21 TYR HA 1.0 1.8 4.22 564 382 A 22 GLY H A 21 TYR HBy 1.0 1.8 5.01 565 383 A 22 GLY H A 21 TYR HBx 1.0 1.8 5.01 566 384 A 22 GLY H A 21 TYR HD% 1.0 1.8 5.18 567 385 A 21 TYR H A 21 TYR HBy 1.0 1.8 4.18 568 386 A 21 TYR H A 21 TYR HBx 1.0 1.8 4.18 569 387 A 21 TYR H A 21 TYR HD% 1.0 1.8 3.79 570 388 A 21 TYR H A 21 TYR HE% 1.0 1.8 5.37 571 389 A 23 VAL HG1% A 22 GLY HAx 1.0 1.8 4.69 572 389 A 23 VAL HG1% A 22 GLY HAy 1.0 1.8 4.69 573 390 A 23 VAL H A 22 GLY HAx 1.0 1.8 3.11 574 390 A 22 GLY HAy A 23 VAL H 1.0 1.8 3.11 575 391 A 23 VAL HG2% A 23 VAL HA 1.0 1.8 3.45 576 392 A 23 VAL HA A 24 ILE HA 1.0 1.8 4.92 577 393 A 23 VAL HA A 24 ILE HG1x 1.0 1.8 5.87 578 393 A 24 ILE HG1y A 23 VAL HA 1.0 1.8 5.87 579 394 A 24 ILE H A 23 VAL HA 1.0 1.8 3.12 580 395 A 25 GLY H A 23 VAL HA 1.0 1.8 5.02 581 396 A 24 ILE H A 23 VAL HB 1.0 1.8 4.99 582 397 A 25 GLY H A 23 VAL HB 1.0 1.8 5.81 583 398 A 23 VAL HG1% A 24 ILE H 1.0 1.8 4.31 584 399 A 23 VAL HG1% A 25 GLY HAx 1.0 1.8 5.08 585 399 A 23 VAL HG1% A 25 GLY HAy 1.0 1.8 5.08 586 400 A 23 VAL HG1% A 25 GLY H 1.0 1.8 4.26 587 401 A 23 VAL HG2% A 24 ILE HA 1.0 1.8 4.63 588 402 A 23 VAL HG2% A 24 ILE H 1.0 1.8 3.60 589 403 A 25 GLY H A 23 VAL HG2% 1.0 1.8 3.17 590 404 A 23 VAL HG1% A 23 VAL H 1.0 1.8 3.32 591 405 A 23 VAL HG2% A 23 VAL H 1.0 1.8 4.29 592 406 A 24 ILE HD1% A 24 ILE HA 1.0 1.8 4.83 593 407 A 24 ILE HG2% A 24 ILE HA 1.0 1.8 3.53 594 408 A 24 ILE HD1% A 24 ILE HB 1.0 1.8 3.55 595 409 A 25 GLY H A 24 ILE HB 1.0 1.8 4.85 596 410 A 24 ILE HD1% A 50 LYS HDx 1.0 1.8 4.95 597 410 A 24 ILE HD1% A 50 LYS HDy 1.0 1.8 4.95 598 411 A 24 ILE HD1% A 50 LYS HGx 1.0 1.8 4.99 599 411 A 24 ILE HD1% A 50 LYS HGy 1.0 1.8 4.99 600 412 A 24 ILE HD1% A 52 GLY HAy 1.0 1.8 4.53 601 413 A 24 ILE HD1% A 52 GLY HAx 1.0 1.8 4.53 602 414 A 53 TYR H A 24 ILE HD1% 1.0 1.8 5.13 603 415 A 25 GLY H A 24 ILE HG1x 1.0 1.8 4.57 604 415 A 25 GLY H A 24 ILE HG1y 1.0 1.8 4.57 605 416 A 24 ILE HD1% A 24 ILE HG2% 1.0 1.8 3.70 606 417 A 25 GLY H A 24 ILE HG2% 1.0 1.8 4.70 607 418 A 24 ILE HD1% A 24 ILE H 1.0 1.8 4.85 608 419 A 24 ILE H A 24 ILE HG1x 1.0 1.8 4.39 609 419 A 24 ILE HG1y A 24 ILE H 1.0 1.8 4.39 610 420 A 24 ILE H A 24 ILE HG2% 1.0 1.8 4.47 611 421 A 25 GLY H A 24 ILE H 1.0 1.8 3.28 612 422 A 26 THR HA A 26 THR HG2% 1.0 1.8 3.77 613 423 A 26 THR HA A 27 LEU HBx 1.0 1.8 4.99 614 423 A 27 LEU HBy A 26 THR HA 1.0 1.8 4.99 615 424 A 27 LEU H A 26 THR HA 1.0 1.8 3.08 616 425 A 26 THR HB A 27 LEU H 1.0 1.8 4.22 617 426 A 27 LEU H A 26 THR HG2% 1.0 1.8 4.49 618 427 A 26 THR HG2% A 26 THR H 1.0 1.8 5.18 619 428 A 27 LEU HD1% A 27 LEU HA 1.0 1.8 5.16 620 429 A 27 LEU HD2% A 27 LEU HA 1.0 1.8 3.64 621 430 A 27 LEU HG A 27 LEU HA 1.0 1.8 4.16 622 431 A 28 ARG H A 27 LEU HA 1.0 1.8 3.07 623 432 A 27 LEU HBy A 31 ASP HBx 1.0 1.8 5.01 624 432 A 31 ASP HBy A 27 LEU HBx 1.0 1.8 5.01 625 432 A 27 LEU HBy A 31 ASP HBy 1.0 1.8 5.01 626 432 A 27 LEU HBx A 31 ASP HBx 1.0 1.8 5.01 627 433 A 27 LEU HD1% A 27 LEU HBx 1.0 1.8 3.83 628 434 A 27 LEU HD2% A 27 LEU HBx 1.0 1.8 4.43 629 435 A 28 ARG H A 27 LEU HBx 1.0 1.8 4.70 630 436 A 27 LEU HBy A 27 LEU HD1% 1.0 1.8 3.83 631 437 A 27 LEU HBy A 27 LEU HD2% 1.0 1.8 4.43 632 438 A 27 LEU HBy A 28 ARG H 1.0 1.8 4.70 633 439 A 27 LEU HD1% A 45 ILE HD1% 1.0 1.8 3.79 634 440 A 54 ALA HB% A 27 LEU HD1% 1.0 1.8 3.96 635 441 A 59 ILE HD1% A 27 LEU HD1% 1.0 1.8 4.77 636 442 A 28 ARG H A 27 LEU HD2% 1.0 1.8 4.69 637 443 A 27 LEU HD2% A 31 ASP HBx 1.0 1.8 4.37 638 443 A 31 ASP HBy A 27 LEU HD2% 1.0 1.8 4.37 639 444 A 33 VAL HG1% A 27 LEU HD2% 1.0 1.8 3.76 640 445 A 27 LEU HD2% A 45 ILE HD1% 1.0 1.8 4.15 641 446 A 27 LEU HD2% A 47 PHE HBy 1.0 1.8 5.16 642 447 A 27 LEU HD2% A 47 PHE HBx 1.0 1.8 5.16 643 448 A 27 LEU HD2% A 47 PHE HD% 1.0 1.8 4.39 644 449 A 27 LEU HD2% A 47 PHE HE% 1.0 1.8 4.72 645 450 A 54 ALA HB% A 27 LEU HD2% 1.0 1.8 4.96 646 451 A 59 ILE HD1% A 27 LEU HD2% 1.0 1.8 5.92 647 452 A 28 ARG H A 27 LEU HG 1.0 1.8 5.20 648 453 A 27 LEU HD1% A 27 LEU H 1.0 1.8 4.63 649 454 A 27 LEU HD2% A 27 LEU H 1.0 1.8 5.17 650 455 A 27 LEU H A 27 LEU HG 1.0 1.8 3.71 651 456 A 28 ARG HA A 28 ARG HDx 1.0 1.8 4.44 652 456 A 28 ARG HA A 28 ARG HDy 1.0 1.8 4.44 653 457 A 28 ARG HA A 28 ARG HGx 1.0 1.8 3.66 654 457 A 28 ARG HA A 28 ARG HGy 1.0 1.8 3.66 655 458 A 28 ARG HA A 29 ASN H 1.0 1.8 3.32 656 459 A 28 ARG HBy A 28 ARG HDx 1.0 1.8 4.40 657 459 A 28 ARG HDy A 28 ARG HBy 1.0 1.8 4.40 658 460 A 29 ASN H A 28 ARG HBy 1.0 1.8 4.86 659 461 A 28 ARG HBx A 28 ARG HDx 1.0 1.8 4.40 660 461 A 28 ARG HDy A 28 ARG HBx 1.0 1.8 4.40 661 462 A 29 ASN H A 28 ARG HBx 1.0 1.8 4.86 662 463 A 29 ASN H A 28 ARG HGx 1.0 1.8 5.04 663 463 A 29 ASN H A 28 ARG HGy 1.0 1.8 5.04 664 464 A 28 ARG H A 28 ARG HDx 1.0 1.8 5.39 665 464 A 28 ARG H A 28 ARG HDy 1.0 1.8 5.39 666 465 A 28 ARG H A 28 ARG HGx 1.0 1.8 4.69 667 465 A 28 ARG H A 28 ARG HGy 1.0 1.8 4.69 668 466 A 28 ARG H A 29 ASN H 1.0 1.8 5.53 669 467 A 28 ARG H A 31 ASP HBx 1.0 1.8 4.18 670 467 A 31 ASP HBy A 28 ARG H 1.0 1.8 4.18 671 468 A 30 ASN H A 29 ASN HA 1.0 1.8 3.13 672 469 A 31 ASP H A 29 ASN HA 1.0 1.8 4.69 673 470 A 29 ASN HBy A 29 ASN HD22 1.0 1.8 3.41 674 470 A 29 ASN HBx A 29 ASN HD22 1.0 1.8 3.41 675 470 A 29 ASN HD21 A 29 ASN HBx 1.0 1.8 3.41 676 470 A 29 ASN HBy A 29 ASN HD21 1.0 1.8 3.41 677 471 A 30 ASN H A 29 ASN HBy 1.0 1.8 5.36 678 472 A 30 ASN H A 29 ASN HBx 1.0 1.8 5.36 679 473 A 29 ASN H A 29 ASN HBx 1.0 1.8 3.22 680 473 A 29 ASN HBy A 29 ASN H 1.0 1.8 3.22 681 474 A 30 ASN H A 29 ASN H 1.0 1.8 6.02 682 475 A 30 ASN HBx A 30 ASN HD22 1.0 1.8 3.42 683 475 A 30 ASN HBy A 30 ASN HD22 1.0 1.8 3.42 684 475 A 30 ASN HD21 A 30 ASN HBx 1.0 1.8 3.42 685 475 A 30 ASN HBy A 30 ASN HD21 1.0 1.8 3.42 686 476 A 30 ASN HBy A 31 ASP H 1.0 1.8 5.25 687 477 A 31 ASP H A 30 ASN HBx 1.0 1.8 5.25 688 478 A 30 ASN H A 31 ASP H 1.0 1.8 3.73 689 479 A 32 LYS H A 31 ASP HA 1.0 1.8 3.06 690 480 A 32 LYS H A 31 ASP HBx 1.0 1.8 4.22 691 480 A 32 LYS H A 31 ASP HBy 1.0 1.8 4.22 692 481 A 33 VAL HG1% A 31 ASP HBx 1.0 1.8 4.39 693 481 A 33 VAL HG1% A 31 ASP HBy 1.0 1.8 4.39 694 482 A 47 PHE HE% A 31 ASP HBx 1.0 1.8 4.73 695 482 A 31 ASP HBy A 47 PHE HE% 1.0 1.8 4.73 696 483 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.22 697 483 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.22 698 484 A 31 ASP H A 32 LYS HGx 1.0 1.8 5.87 699 484 A 31 ASP H A 32 LYS HGy 1.0 1.8 5.87 700 485 A 32 LYS HA A 32 LYS HDx 1.0 1.8 4.70 701 485 A 32 LYS HA A 32 LYS HDy 1.0 1.8 4.70 702 486 A 32 LYS HA A 32 LYS HGx 1.0 1.8 3.81 703 486 A 32 LYS HA A 32 LYS HGy 1.0 1.8 3.81 704 487 A 32 LYS HA A 33 VAL HG1% 1.0 1.8 4.91 705 488 A 33 VAL HG2% A 32 LYS HA 1.0 1.8 4.84 706 489 A 33 VAL H A 32 LYS HA 1.0 1.8 3.04 707 490 A 33 VAL H A 32 LYS HBy 1.0 1.8 4.22 708 490 A 33 VAL H A 32 LYS HBx 1.0 1.8 4.22 709 491 A 32 LYS HEy A 32 LYS HBy 1.0 1.8 5.51 710 491 A 32 LYS HBy A 32 LYS HEx 1.0 1.8 5.51 711 492 A 32 LYS HEy A 32 LYS HBx 1.0 1.8 5.51 712 492 A 32 LYS HBx A 32 LYS HEx 1.0 1.8 5.51 713 493 A 33 VAL H A 32 LYS HGx 1.0 1.8 5.05 714 493 A 33 VAL H A 32 LYS HGy 1.0 1.8 5.05 715 494 A 32 LYS H A 32 LYS HEx 1.0 1.8 5.64 716 494 A 32 LYS H A 32 LYS HEy 1.0 1.8 5.64 717 495 A 32 LYS H A 32 LYS HGx 1.0 1.8 3.72 718 495 A 32 LYS H A 32 LYS HGy 1.0 1.8 3.72 719 496 A 33 VAL HG1% A 32 LYS H 1.0 1.8 5.35 720 497 A 32 LYS H A 47 PHE HE% 1.0 1.8 5.27 721 498 A 33 VAL HG1% A 33 VAL HA 1.0 1.8 3.50 722 499 A 33 VAL HG2% A 33 VAL HA 1.0 1.8 4.46 723 500 A 33 VAL HA A 34 GLU H 1.0 1.8 3.30 724 501 A 47 PHE HD% A 33 VAL HA 1.0 1.8 4.58 725 502 A 34 GLU H A 33 VAL HB 1.0 1.8 3.48 726 503 A 33 VAL HB A 45 ILE HB 1.0 1.8 3.92 727 504 A 45 ILE HD1% A 33 VAL HB 1.0 1.8 4.29 728 505 A 33 VAL HB A 45 ILE HG2% 1.0 1.8 4.37 729 506 A 33 VAL HG1% A 34 GLU H 1.0 1.8 4.41 730 507 A 33 VAL HG1% A 45 ILE HB 1.0 1.8 5.07 731 508 A 33 VAL HG1% A 45 ILE HD1% 1.0 1.8 3.78 732 509 A 33 VAL HG1% A 45 ILE HG2% 1.0 1.8 4.76 733 510 A 33 VAL HG1% A 47 PHE HA 1.0 1.8 5.16 734 511 A 33 VAL HG1% A 47 PHE HBy 1.0 1.8 5.16 735 512 A 33 VAL HG1% A 47 PHE HBx 1.0 1.8 5.16 736 513 A 33 VAL HG1% A 47 PHE HD% 1.0 1.8 4.00 737 514 A 33 VAL HG1% A 47 PHE HE% 1.0 1.8 4.64 738 515 A 33 VAL HG2% A 34 GLU H 1.0 1.8 4.59 739 516 A 33 VAL HG2% A 35 ILE HG1y 1.0 1.8 4.73 740 517 A 33 VAL HG2% A 35 ILE HG1x 1.0 1.8 4.73 741 518 A 35 ILE H A 33 VAL HG2% 1.0 1.8 5.58 742 519 A 33 VAL HG2% A 45 ILE HB 1.0 1.8 4.58 743 520 A 33 VAL HG2% A 45 ILE HD1% 1.0 1.8 3.32 744 521 A 33 VAL HG2% A 45 ILE HG2% 1.0 1.8 3.38 745 522 A 33 VAL H A 33 VAL HG1% 1.0 1.8 3.88 746 523 A 33 VAL H A 33 VAL HG2% 1.0 1.8 3.42 747 524 A 34 GLU HA A 34 GLU HGy 1.0 1.8 4.50 748 525 A 34 GLU HA A 34 GLU HGx 1.0 1.8 4.50 749 526 A 35 ILE H A 34 GLU HA 1.0 1.8 3.25 750 527 A 46 ARG H A 34 GLU HBx 1.0 1.8 4.02 751 527 A 34 GLU HBy A 46 ARG H 1.0 1.8 4.02 752 528 A 35 ILE H A 34 GLU HGy 1.0 1.8 4.37 753 528 A 35 ILE H A 34 GLU HGx 1.0 1.8 4.37 754 529 A 34 GLU H A 34 GLU HBx 1.0 1.8 3.56 755 529 A 34 GLU H A 34 GLU HBy 1.0 1.8 3.56 756 530 A 34 GLU H A 34 GLU HGy 1.0 1.8 4.72 757 530 A 34 GLU H A 34 GLU HGx 1.0 1.8 4.72 758 531 A 34 GLU H A 45 ILE HB 1.0 1.8 4.81 759 532 A 34 GLU H A 46 ARG H 1.0 1.8 4.03 760 533 A 35 ILE HD1% A 35 ILE HA 1.0 1.8 5.09 761 534 A 35 ILE HA A 35 ILE HG1y 1.0 1.8 4.58 762 535 A 35 ILE HA A 35 ILE HG1x 1.0 1.8 4.58 763 536 A 35 ILE HA A 36 ILE HB 1.0 1.8 5.70 764 537 A 35 ILE HA A 36 ILE H 1.0 1.8 3.37 765 538 A 35 ILE HA A 37 LYS H 1.0 1.8 5.09 766 539 A 35 ILE HA A 45 ILE HA 1.0 1.8 4.08 767 540 A 45 ILE HB A 35 ILE HA 1.0 1.8 6.01 768 541 A 45 ILE HG2% A 35 ILE HA 1.0 1.8 3.86 769 542 A 46 ARG H A 35 ILE HA 1.0 1.8 5.65 770 543 A 35 ILE HB A 45 ILE HG2% 1.0 1.8 5.17 771 544 A 35 ILE HD1% A 43 TYR HBy 1.0 1.8 5.29 772 544 A 35 ILE HD1% A 43 TYR HBx 1.0 1.8 5.29 773 545 A 35 ILE HD1% A 43 TYR HD% 1.0 1.8 4.69 774 546 A 35 ILE HD1% A 43 TYR HE% 1.0 1.8 4.70 775 547 A 35 ILE HD1% A 45 ILE HG2% 1.0 1.8 4.44 776 548 A 35 ILE HD1% A 59 ILE HG2% 1.0 1.8 3.58 777 549 A 35 ILE HD1% A 61 ILE HA 1.0 1.8 4.63 778 550 A 35 ILE HD1% A 61 ILE HD1% 1.0 1.8 4.92 779 551 A 35 ILE HD1% A 61 ILE HG1x 1.0 1.8 4.92 780 551 A 35 ILE HD1% A 61 ILE HG1y 1.0 1.8 4.92 781 552 A 35 ILE HD1% A 61 ILE HG2% 1.0 1.8 4.70 782 553 A 35 ILE HG1x A 43 TYR HBy 1.0 1.8 6.05 783 553 A 35 ILE HG1y A 43 TYR HBy 1.0 1.8 6.05 784 554 A 43 TYR HBx A 35 ILE HG1x 1.0 1.8 6.05 785 554 A 43 TYR HBx A 35 ILE HG1y 1.0 1.8 6.05 786 555 A 59 ILE HG2% A 35 ILE HG1y 1.0 1.8 5.29 787 555 A 59 ILE HG2% A 35 ILE HG1x 1.0 1.8 5.29 788 556 A 45 ILE HG2% A 35 ILE HG1y 1.0 1.8 4.82 789 557 A 45 ILE HG2% A 35 ILE HG1x 1.0 1.8 4.82 790 558 A 35 ILE HD1% A 35 ILE HG2% 1.0 1.8 3.59 791 559 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 4.36 792 559 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 4.36 793 560 A 35 ILE HG2% A 36 ILE H 1.0 1.8 4.09 794 561 A 35 ILE HG2% A 37 LYS H 1.0 1.8 3.75 795 562 A 35 ILE HG2% A 43 TYR HA 1.0 1.8 5.22 796 563 A 35 ILE HG2% A 43 TYR HBy 1.0 1.8 5.26 797 564 A 35 ILE HG2% A 43 TYR HBx 1.0 1.8 5.26 798 565 A 35 ILE HG2% A 43 TYR HD% 1.0 1.8 3.93 799 566 A 35 ILE HG2% A 43 TYR HE% 1.0 1.8 4.43 800 567 A 35 ILE HG2% A 44 GLU H 1.0 1.8 4.71 801 568 A 35 ILE HG2% A 45 ILE HG2% 1.0 1.8 4.71 802 569 A 35 ILE HB A 35 ILE H 1.0 1.8 3.66 803 570 A 35 ILE HD1% A 35 ILE H 1.0 1.8 5.10 804 571 A 35 ILE H A 35 ILE HG1y 1.0 1.8 5.16 805 572 A 35 ILE H A 35 ILE HG1x 1.0 1.8 5.16 806 573 A 35 ILE H A 45 ILE HG2% 1.0 1.8 5.62 807 574 A 36 ILE HA A 36 ILE HD1% 1.0 1.8 4.65 808 575 A 36 ILE HA A 36 ILE HG1x 1.0 1.8 3.96 809 575 A 36 ILE HA A 36 ILE HG1y 1.0 1.8 3.96 810 576 A 36 ILE HA A 36 ILE HG2% 1.0 1.8 3.71 811 577 A 36 ILE HB A 37 LYS H 1.0 1.8 3.54 812 578 A 36 ILE HB A 44 GLU HBx 1.0 1.8 4.49 813 578 A 36 ILE HB A 44 GLU HBy 1.0 1.8 4.49 814 579 A 36 ILE HB A 44 GLU H 1.0 1.8 5.51 815 580 A 36 ILE HD1% A 44 GLU HBx 1.0 1.8 4.93 816 580 A 36 ILE HD1% A 44 GLU HBy 1.0 1.8 4.93 817 581 A 36 ILE HD1% A 44 GLU HGy 1.0 1.8 4.69 818 581 A 36 ILE HD1% A 44 GLU HGx 1.0 1.8 4.69 819 582 A 36 ILE HD1% A 46 ARG HBx 1.0 1.8 4.43 820 582 A 36 ILE HD1% A 46 ARG HBy 1.0 1.8 4.43 821 583 A 46 ARG H A 36 ILE HD1% 1.0 1.8 5.14 822 584 A 36 ILE HG2% A 36 ILE HG1x 1.0 1.8 3.64 823 584 A 36 ILE HG1y A 36 ILE HG2% 1.0 1.8 3.64 824 585 A 36 ILE HG2% A 37 LYS HBx 1.0 1.8 4.36 825 585 A 36 ILE HG2% A 37 LYS HBy 1.0 1.8 4.36 826 586 A 36 ILE HG2% A 37 LYS HDx 1.0 1.8 4.79 827 586 A 36 ILE HG2% A 37 LYS HDy 1.0 1.8 4.79 828 587 A 36 ILE HG2% A 37 LYS HEx 1.0 1.8 4.94 829 587 A 36 ILE HG2% A 37 LYS HEy 1.0 1.8 4.94 830 588 A 36 ILE HG2% A 37 LYS HGx 1.0 1.8 4.37 831 588 A 36 ILE HG2% A 37 LYS HGy 1.0 1.8 4.37 832 589 A 37 LYS H A 36 ILE HG2% 1.0 1.8 4.28 833 590 A 36 ILE HG2% A 44 GLU HBx 1.0 1.8 4.68 834 590 A 36 ILE HG2% A 44 GLU HBy 1.0 1.8 4.68 835 591 A 36 ILE HB A 36 ILE H 1.0 1.8 3.87 836 592 A 36 ILE H A 36 ILE HD1% 1.0 1.8 5.06 837 593 A 36 ILE H A 36 ILE HG1x 1.0 1.8 3.79 838 593 A 36 ILE H A 36 ILE HG1y 1.0 1.8 3.79 839 594 A 36 ILE H A 37 LYS H 1.0 1.8 3.47 840 595 A 36 ILE H A 44 GLU HBx 1.0 1.8 5.25 841 595 A 36 ILE H A 44 GLU HBy 1.0 1.8 5.25 842 596 A 36 ILE H A 45 ILE HA 1.0 1.8 4.14 843 597 A 45 ILE HG2% A 36 ILE H 1.0 1.8 4.82 844 598 A 37 LYS HA A 38 GLU H 1.0 1.8 3.45 845 599 A 37 LYS HBx A 37 LYS HDx 1.0 1.8 3.41 846 599 A 37 LYS HBy A 37 LYS HDx 1.0 1.8 3.41 847 599 A 37 LYS HDy A 37 LYS HBx 1.0 1.8 3.41 848 599 A 37 LYS HBy A 37 LYS HDy 1.0 1.8 3.41 849 600 A 37 LYS HBy A 37 LYS HEx 1.0 1.8 4.59 850 600 A 37 LYS HBx A 37 LYS HEx 1.0 1.8 4.59 851 600 A 37 LYS HEy A 37 LYS HBx 1.0 1.8 4.59 852 600 A 37 LYS HBy A 37 LYS HEy 1.0 1.8 4.59 853 601 A 38 GLU H A 37 LYS HBx 1.0 1.8 3.61 854 601 A 37 LYS HBy A 38 GLU H 1.0 1.8 3.61 855 602 A 38 GLU H A 37 LYS HDx 1.0 1.8 5.40 856 602 A 37 LYS HDy A 38 GLU H 1.0 1.8 5.40 857 603 A 39 VAL HG2% A 37 LYS HEx 1.0 1.8 3.99 858 603 A 37 LYS HEy A 39 VAL HG2% 1.0 1.8 3.99 859 604 A 53 TYR HE% A 37 LYS HEx 1.0 1.8 5.33 860 604 A 53 TYR HE% A 37 LYS HEy 1.0 1.8 5.33 861 605 A 38 GLU H A 37 LYS HGx 1.0 1.8 4.53 862 605 A 37 LYS HGy A 38 GLU H 1.0 1.8 4.53 863 606 A 37 LYS H A 37 LYS HGx 1.0 1.8 4.29 864 606 A 37 LYS H A 37 LYS HGy 1.0 1.8 4.29 865 607 A 37 LYS H A 38 GLU H 1.0 1.8 5.64 866 608 A 37 LYS H A 44 GLU HBy 1.0 1.8 5.39 867 609 A 37 LYS H A 44 GLU HBx 1.0 1.8 5.39 868 610 A 37 LYS H A 44 GLU H 1.0 1.8 3.99 869 611 A 39 VAL HG2% A 38 GLU HA 1.0 1.8 5.17 870 612 A 38 GLU HA A 39 VAL H 1.0 1.8 3.31 871 613 A 43 TYR HA A 38 GLU HA 1.0 1.8 3.88 872 614 A 43 TYR HD% A 38 GLU HA 1.0 1.8 4.13 873 615 A 44 GLU H A 38 GLU HA 1.0 1.8 4.38 874 616 A 43 TYR HA A 38 GLU HBx 1.0 1.8 5.48 875 616 A 43 TYR HA A 38 GLU HBy 1.0 1.8 5.48 876 617 A 43 TYR HD% A 38 GLU HBy 1.0 1.8 5.80 877 618 A 43 TYR HE% A 38 GLU HBy 1.0 1.8 6.05 878 619 A 43 TYR HD% A 38 GLU HBx 1.0 1.8 5.80 879 620 A 43 TYR HE% A 38 GLU HBx 1.0 1.8 6.05 880 621 A 40 ASP H A 38 GLU HGy 1.0 1.8 5.14 881 621 A 38 GLU HGx A 40 ASP H 1.0 1.8 5.14 882 622 A 43 TYR HA A 38 GLU HGy 1.0 1.8 5.84 883 622 A 43 TYR HA A 38 GLU HGx 1.0 1.8 5.84 884 623 A 39 VAL H A 38 GLU HGy 1.0 1.8 5.13 885 624 A 41 GLY H A 38 GLU HGy 1.0 1.8 5.09 886 625 A 42 TRP H A 38 GLU HGy 1.0 1.8 5.22 887 626 A 43 TYR HD% A 38 GLU HGy 1.0 1.8 6.05 888 627 A 43 TYR HE% A 38 GLU HGy 1.0 1.8 6.05 889 628 A 39 VAL H A 38 GLU HGx 1.0 1.8 5.13 890 629 A 38 GLU HGx A 41 GLY H 1.0 1.8 5.09 891 630 A 38 GLU HGx A 42 TRP H 1.0 1.8 5.22 892 631 A 43 TYR HD% A 38 GLU HGx 1.0 1.8 6.05 893 632 A 43 TYR HE% A 38 GLU HGx 1.0 1.8 6.05 894 633 A 38 GLU H A 38 GLU HBy 1.0 1.8 4.21 895 634 A 38 GLU H A 38 GLU HBx 1.0 1.8 4.21 896 635 A 38 GLU H A 39 VAL HG2% 1.0 1.8 5.31 897 636 A 39 VAL HG1% A 39 VAL HA 1.0 1.8 3.72 898 637 A 39 VAL HG2% A 39 VAL HA 1.0 1.8 3.94 899 638 A 40 ASP H A 39 VAL HA 1.0 1.8 2.99 900 639 A 39 VAL HB A 40 ASP H 1.0 1.8 5.60 901 640 A 39 VAL HB A 42 TRP H 1.0 1.8 5.74 902 641 A 53 TYR HE% A 39 VAL HB 1.0 1.8 4.33 903 642 A 39 VAL HG1% A 40 ASP HBy 1.0 1.8 4.25 904 642 A 39 VAL HG1% A 40 ASP HBx 1.0 1.8 4.25 905 643 A 39 VAL HG1% A 40 ASP H 1.0 1.8 4.05 906 644 A 39 VAL HG1% A 42 TRP HBy 1.0 1.8 5.48 907 644 A 42 TRP HBx A 39 VAL HG1% 1.0 1.8 5.48 908 645 A 39 VAL HG1% A 42 TRP HD1 1.0 1.8 5.79 909 646 A 39 VAL HG1% A 42 TRP H 1.0 1.8 5.22 910 647 A 39 VAL HG2% A 44 GLU HBx 1.0 1.8 5.21 911 647 A 44 GLU HBy A 39 VAL HG2% 1.0 1.8 5.21 912 648 A 44 GLU H A 39 VAL HG2% 1.0 1.8 4.86 913 649 A 53 TYR HD% A 39 VAL HG2% 1.0 1.8 5.47 914 650 A 53 TYR HE% A 39 VAL HG2% 1.0 1.8 3.47 915 651 A 39 VAL HG1% A 39 VAL H 1.0 1.8 4.69 916 652 A 39 VAL HG2% A 39 VAL H 1.0 1.8 4.09 917 653 A 39 VAL H A 42 TRP HBy 1.0 1.8 5.58 918 653 A 42 TRP HBx A 39 VAL H 1.0 1.8 5.58 919 654 A 39 VAL H A 42 TRP H 1.0 1.8 4.04 920 655 A 43 TYR HA A 39 VAL H 1.0 1.8 4.91 921 656 A 43 TYR HD% A 39 VAL H 1.0 1.8 5.71 922 657 A 41 GLY H A 40 ASP HA 1.0 1.8 3.87 923 658 A 41 GLY H A 40 ASP HBy 1.0 1.8 4.29 924 658 A 40 ASP HBx A 41 GLY H 1.0 1.8 4.29 925 659 A 42 TRP HD1 A 40 ASP HBy 1.0 1.8 4.16 926 659 A 40 ASP HBx A 42 TRP HD1 1.0 1.8 4.16 927 660 A 42 TRP HE1 A 40 ASP HBy 1.0 1.8 5.87 928 660 A 42 TRP HE1 A 40 ASP HBx 1.0 1.8 5.87 929 661 A 42 TRP H A 40 ASP HBy 1.0 1.8 4.43 930 661 A 40 ASP HBx A 42 TRP H 1.0 1.8 4.43 931 662 A 40 ASP H A 40 ASP HBy 1.0 1.8 3.86 932 662 A 40 ASP HBx A 40 ASP H 1.0 1.8 3.86 933 663 A 41 GLY HAy A 56 LYS HDx 1.0 1.8 4.22 934 663 A 56 LYS HDy A 41 GLY HAx 1.0 1.8 4.22 935 663 A 41 GLY HAy A 56 LYS HDy 1.0 1.8 4.22 936 663 A 41 GLY HAx A 56 LYS HDx 1.0 1.8 4.22 937 664 A 41 GLY H A 42 TRP H 1.0 1.8 4.26 938 665 A 42 TRP HA A 43 TYR H 1.0 1.8 3.38 939 666 A 42 TRP HA A 55 SER HA 1.0 1.8 4.22 940 667 A 42 TRP HA A 56 LYS H 1.0 1.8 4.36 941 668 A 42 TRP HD1 A 42 TRP HBy 1.0 1.8 4.18 942 668 A 42 TRP HBx A 42 TRP HD1 1.0 1.8 4.18 943 669 A 42 TRP HE3 A 42 TRP HBy 1.0 1.8 3.86 944 669 A 42 TRP HE3 A 42 TRP HBx 1.0 1.8 3.86 945 670 A 42 TRP HZ3 A 42 TRP HBy 1.0 1.8 5.67 946 670 A 42 TRP HZ3 A 42 TRP HBx 1.0 1.8 5.67 947 671 A 42 TRP HBy A 53 TYR HBy 1.0 1.8 4.79 948 671 A 42 TRP HBx A 53 TYR HBy 1.0 1.8 4.79 949 671 A 53 TYR HBx A 42 TRP HBy 1.0 1.8 4.79 950 671 A 53 TYR HBx A 42 TRP HBx 1.0 1.8 4.79 951 672 A 54 ALA H A 42 TRP HBy 1.0 1.8 5.14 952 672 A 42 TRP HBx A 54 ALA H 1.0 1.8 5.14 953 673 A 43 TYR H A 42 TRP HBy 1.0 1.8 4.62 954 674 A 53 TYR HD% A 42 TRP HBy 1.0 1.8 5.54 955 675 A 42 TRP HBx A 43 TYR H 1.0 1.8 4.62 956 676 A 53 TYR HD% A 42 TRP HBx 1.0 1.8 5.54 957 677 A 42 TRP HE3 A 43 TYR H 1.0 1.8 5.13 958 678 A 42 TRP HE3 A 53 TYR HBy 1.0 1.8 4.60 959 679 A 53 TYR HBx A 42 TRP HE3 1.0 1.8 4.60 960 680 A 54 ALA HA A 42 TRP HE3 1.0 1.8 4.40 961 681 A 42 TRP HE3 A 54 ALA H 1.0 1.8 4.47 962 682 A 42 TRP HE3 A 55 SER HA 1.0 1.8 4.60 963 683 A 55 SER H A 42 TRP HE3 1.0 1.8 4.93 964 684 A 42 TRP H A 42 TRP HBy 1.0 1.8 3.69 965 684 A 42 TRP HBx A 42 TRP H 1.0 1.8 3.69 966 685 A 42 TRP HD1 A 42 TRP H 1.0 1.8 3.92 967 686 A 42 TRP HZ3 A 53 TYR HBy 1.0 1.8 5.20 968 686 A 42 TRP HZ3 A 53 TYR HBx 1.0 1.8 5.20 969 687 A 54 ALA HA A 42 TRP HZ3 1.0 1.8 4.40 970 688 A 42 TRP HZ3 A 55 SER HA 1.0 1.8 6.05 971 689 A 55 SER H A 42 TRP HZ3 1.0 1.8 4.70 972 690 A 43 TYR HD% A 43 TYR HA 1.0 1.8 3.53 973 691 A 43 TYR HE% A 43 TYR HA 1.0 1.8 4.80 974 692 A 43 TYR HA A 44 GLU H 1.0 1.8 3.21 975 693 A 44 GLU H A 43 TYR HBy 1.0 1.8 4.96 976 694 A 45 ILE HG2% A 43 TYR HBy 1.0 1.8 4.54 977 695 A 54 ALA H A 43 TYR HBy 1.0 1.8 5.82 978 696 A 59 ILE HD1% A 43 TYR HBy 1.0 1.8 5.36 979 696 A 59 ILE HD1% A 43 TYR HBx 1.0 1.8 5.36 980 697 A 43 TYR HBx A 44 GLU H 1.0 1.8 4.96 981 698 A 45 ILE HG2% A 43 TYR HBx 1.0 1.8 4.54 982 699 A 43 TYR HBx A 54 ALA H 1.0 1.8 5.82 983 700 A 43 TYR HD% A 44 GLU H 1.0 1.8 4.64 984 701 A 45 ILE HG2% A 43 TYR HD% 1.0 1.8 5.22 985 702 A 43 TYR HD% A 56 LYS HA 1.0 1.8 3.89 986 703 A 43 TYR HD% A 59 ILE HB 1.0 1.8 3.62 987 704 A 59 ILE HD1% A 43 TYR HD% 1.0 1.8 4.69 988 705 A 43 TYR HD% A 59 ILE HG1y 1.0 1.8 4.98 989 705 A 59 ILE HG1x A 43 TYR HD% 1.0 1.8 4.98 990 706 A 59 ILE HG2% A 43 TYR HD% 1.0 1.8 4.10 991 707 A 43 TYR HE% A 56 LYS HA 1.0 1.8 3.76 992 708 A 43 TYR HE% A 56 LYS HBy 1.0 1.8 4.27 993 708 A 43 TYR HE% A 56 LYS HBx 1.0 1.8 4.27 994 709 A 43 TYR HE% A 59 ILE HB 1.0 1.8 4.04 995 710 A 59 ILE HG2% A 43 TYR HE% 1.0 1.8 3.97 996 711 A 59 ILE H A 43 TYR HE% 1.0 1.8 5.78 997 712 A 61 ILE HD1% A 43 TYR HE% 1.0 1.8 4.59 998 713 A 43 TYR HD% A 43 TYR H 1.0 1.8 4.65 999 714 A 45 ILE HG2% A 43 TYR H 1.0 1.8 6.05 1000 715 A 54 ALA HB% A 43 TYR H 1.0 1.8 5.44 1001 716 A 43 TYR H A 54 ALA H 1.0 1.8 4.89 1002 717 A 43 TYR H A 55 SER HA 1.0 1.8 4.86 1003 718 A 43 TYR H A 56 LYS HA 1.0 1.8 5.49 1004 719 A 43 TYR H A 56 LYS HBy 1.0 1.8 5.54 1005 719 A 43 TYR H A 56 LYS HBx 1.0 1.8 5.54 1006 720 A 43 TYR H A 56 LYS H 1.0 1.8 5.16 1007 721 A 59 ILE HD1% A 43 TYR H 1.0 1.8 6.05 1008 722 A 44 GLU HA A 44 GLU HGy 1.0 1.8 3.95 1009 722 A 44 GLU HGx A 44 GLU HA 1.0 1.8 3.95 1010 723 A 44 GLU HA A 45 ILE HG1x 1.0 1.8 5.87 1011 723 A 45 ILE HG1y A 44 GLU HA 1.0 1.8 5.87 1012 724 A 45 ILE HG2% A 44 GLU HA 1.0 1.8 5.37 1013 725 A 44 GLU HA A 45 ILE H 1.0 1.8 3.31 1014 726 A 44 GLU HA A 51 VAL HG1% 1.0 1.8 6.00 1015 727 A 44 GLU HA A 53 TYR HA 1.0 1.8 4.23 1016 728 A 53 TYR HD% A 44 GLU HA 1.0 1.8 4.94 1017 729 A 53 TYR HE% A 44 GLU HA 1.0 1.8 5.06 1018 730 A 54 ALA H A 44 GLU HA 1.0 1.8 5.40 1019 731 A 53 TYR HD% A 44 GLU HBx 1.0 1.8 5.37 1020 731 A 53 TYR HD% A 44 GLU HBy 1.0 1.8 5.37 1021 732 A 44 GLU HBy A 45 ILE H 1.0 1.8 5.52 1022 733 A 53 TYR HE% A 44 GLU HBx 1.0 1.8 4.40 1023 733 A 53 TYR HE% A 44 GLU HBy 1.0 1.8 4.40 1024 734 A 45 ILE H A 44 GLU HBx 1.0 1.8 5.52 1025 735 A 45 ILE H A 44 GLU HGy 1.0 1.8 4.51 1026 735 A 44 GLU HGx A 45 ILE H 1.0 1.8 4.51 1027 736 A 51 VAL HG1% A 44 GLU HGy 1.0 1.8 3.99 1028 736 A 44 GLU HGx A 51 VAL HG1% 1.0 1.8 3.99 1029 737 A 53 TYR HE% A 44 GLU HGy 1.0 1.8 4.38 1030 738 A 53 TYR HE% A 44 GLU HGx 1.0 1.8 4.38 1031 739 A 44 GLU H A 44 GLU HBy 1.0 1.8 3.93 1032 740 A 44 GLU H A 44 GLU HBx 1.0 1.8 3.93 1033 741 A 44 GLU H A 44 GLU HGy 1.0 1.8 5.62 1034 741 A 44 GLU H A 44 GLU HGx 1.0 1.8 5.62 1035 742 A 45 ILE HG2% A 44 GLU H 1.0 1.8 4.99 1036 743 A 53 TYR HD% A 44 GLU H 1.0 1.8 5.37 1037 744 A 53 TYR HE% A 44 GLU H 1.0 1.8 5.90 1038 745 A 45 ILE HG2% A 45 ILE HA 1.0 1.8 3.77 1039 746 A 46 ARG H A 45 ILE HA 1.0 1.8 3.43 1040 747 A 45 ILE HB A 46 ARG H 1.0 1.8 3.76 1041 748 A 45 ILE HD1% A 46 ARG H 1.0 1.8 5.32 1042 749 A 45 ILE HD1% A 47 PHE HBy 1.0 1.8 5.22 1043 750 A 45 ILE HD1% A 47 PHE HBx 1.0 1.8 5.22 1044 751 A 45 ILE HD1% A 52 GLY H 1.0 1.8 5.18 1045 752 A 54 ALA HB% A 45 ILE HD1% 1.0 1.8 3.69 1046 753 A 46 ARG H A 45 ILE HG1x 1.0 1.8 5.27 1047 753 A 45 ILE HG1y A 46 ARG H 1.0 1.8 5.27 1048 754 A 45 ILE HG1x A 52 GLY HAx 1.0 1.8 5.81 1049 754 A 45 ILE HG1y A 52 GLY HAx 1.0 1.8 5.81 1050 754 A 52 GLY HAy A 45 ILE HG1x 1.0 1.8 5.81 1051 754 A 45 ILE HG1y A 52 GLY HAy 1.0 1.8 5.81 1052 755 A 52 GLY H A 45 ILE HG1x 1.0 1.8 4.28 1053 755 A 45 ILE HG1y A 52 GLY H 1.0 1.8 4.28 1054 756 A 53 TYR HA A 45 ILE HG1x 1.0 1.8 4.62 1055 756 A 45 ILE HG1y A 53 TYR HA 1.0 1.8 4.62 1056 757 A 53 TYR H A 45 ILE HG1x 1.0 1.8 5.87 1057 757 A 53 TYR H A 45 ILE HG1y 1.0 1.8 5.87 1058 758 A 45 ILE HD1% A 45 ILE HG2% 1.0 1.8 3.60 1059 759 A 45 ILE HG2% A 46 ARG H 1.0 1.8 4.48 1060 760 A 54 ALA HB% A 45 ILE HG2% 1.0 1.8 4.47 1061 761 A 45 ILE HG2% A 54 ALA H 1.0 1.8 5.76 1062 762 A 45 ILE HD1% A 45 ILE H 1.0 1.8 5.14 1063 763 A 45 ILE H A 45 ILE HG1x 1.0 1.8 3.64 1064 763 A 45 ILE HG1y A 45 ILE H 1.0 1.8 3.64 1065 764 A 45 ILE HG2% A 45 ILE H 1.0 1.8 4.06 1066 765 A 51 VAL HA A 45 ILE H 1.0 1.8 5.99 1067 766 A 52 GLY H A 45 ILE H 1.0 1.8 3.93 1068 767 A 45 ILE H A 53 TYR HA 1.0 1.8 4.40 1069 768 A 53 TYR HE% A 45 ILE H 1.0 1.8 6.05 1070 769 A 46 ARG HA A 46 ARG HDx 1.0 1.8 4.98 1071 769 A 46 ARG HA A 46 ARG HDy 1.0 1.8 4.98 1072 770 A 46 ARG HA A 46 ARG HGy 1.0 1.8 3.90 1073 770 A 46 ARG HA A 46 ARG HGx 1.0 1.8 3.90 1074 771 A 47 PHE H A 46 ARG HA 1.0 1.8 3.45 1075 772 A 51 VAL HA A 46 ARG HA 1.0 1.8 3.72 1076 773 A 46 ARG HA A 51 VAL HG2% 1.0 1.8 4.31 1077 774 A 52 GLY H A 46 ARG HA 1.0 1.8 4.58 1078 775 A 51 VAL HG1% A 46 ARG HBx 1.0 1.8 4.75 1079 775 A 46 ARG HBy A 51 VAL HG1% 1.0 1.8 4.75 1080 776 A 51 VAL HG2% A 46 ARG HBx 1.0 1.8 4.30 1081 776 A 46 ARG HBy A 51 VAL HG2% 1.0 1.8 4.30 1082 777 A 46 ARG HDy A 46 ARG HBx 1.0 1.8 4.55 1083 777 A 46 ARG HBx A 46 ARG HDx 1.0 1.8 4.55 1084 778 A 47 PHE H A 46 ARG HBx 1.0 1.8 5.14 1085 779 A 46 ARG HBy A 46 ARG HDy 1.0 1.8 4.55 1086 779 A 46 ARG HBy A 46 ARG HDx 1.0 1.8 4.55 1087 780 A 47 PHE H A 46 ARG HBy 1.0 1.8 5.14 1088 781 A 47 PHE H A 46 ARG HDx 1.0 1.8 6.11 1089 781 A 47 PHE H A 46 ARG HDy 1.0 1.8 6.11 1090 782 A 49 GLY H A 46 ARG HDx 1.0 1.8 5.72 1091 782 A 46 ARG HDy A 49 GLY H 1.0 1.8 5.72 1092 783 A 50 LYS H A 46 ARG HDx 1.0 1.8 6.05 1093 783 A 46 ARG HDy A 50 LYS H 1.0 1.8 6.05 1094 784 A 51 VAL HG2% A 46 ARG HDx 1.0 1.8 4.20 1095 784 A 46 ARG HDy A 51 VAL HG2% 1.0 1.8 4.20 1096 785 A 49 GLY H A 46 ARG HGy 1.0 1.8 4.76 1097 785 A 46 ARG HGx A 49 GLY H 1.0 1.8 4.76 1098 786 A 51 VAL HG2% A 46 ARG HGy 1.0 1.8 4.06 1099 786 A 46 ARG HGx A 51 VAL HG2% 1.0 1.8 4.06 1100 787 A 47 PHE H A 46 ARG HGy 1.0 1.8 4.79 1101 788 A 47 PHE H A 46 ARG HGx 1.0 1.8 4.79 1102 789 A 46 ARG H A 46 ARG HGy 1.0 1.8 5.22 1103 789 A 46 ARG H A 46 ARG HGx 1.0 1.8 5.22 1104 790 A 47 PHE HD% A 47 PHE HA 1.0 1.8 4.75 1105 791 A 47 PHE HA A 48 ASN H 1.0 1.8 3.87 1106 792 A 47 PHE HD% A 48 ASN HBx 1.0 1.8 4.71 1107 792 A 47 PHE HD% A 48 ASN HBy 1.0 1.8 4.71 1108 793 A 47 PHE HE% A 48 ASN HBx 1.0 1.8 5.06 1109 793 A 47 PHE HE% A 48 ASN HBy 1.0 1.8 5.06 1110 794 A 47 PHE HD% A 47 PHE H 1.0 1.8 5.53 1111 795 A 47 PHE H A 50 LYS HA 1.0 1.8 5.91 1112 796 A 47 PHE H A 50 LYS HBx 1.0 1.8 5.28 1113 796 A 47 PHE H A 50 LYS HBy 1.0 1.8 5.28 1114 797 A 47 PHE H A 50 LYS H 1.0 1.8 4.15 1115 798 A 47 PHE H A 51 VAL HA 1.0 1.8 4.65 1116 799 A 47 PHE H A 51 VAL HG2% 1.0 1.8 5.65 1117 800 A 49 GLY H A 48 ASN HA 1.0 1.8 3.88 1118 801 A 50 LYS H A 48 ASN HBx 1.0 1.8 5.63 1119 801 A 50 LYS H A 48 ASN HBy 1.0 1.8 5.63 1120 802 A 49 GLY H A 48 ASN H 1.0 1.8 4.89 1121 803 A 49 GLY HAy A 50 LYS HBx 1.0 1.8 5.70 1122 803 A 49 GLY HAx A 50 LYS HBx 1.0 1.8 5.70 1123 803 A 50 LYS HBy A 49 GLY HAx 1.0 1.8 5.70 1124 803 A 50 LYS HBy A 49 GLY HAy 1.0 1.8 5.70 1125 804 A 49 GLY H A 50 LYS H 1.0 1.8 4.06 1126 805 A 50 LYS HA A 51 VAL H 1.0 1.8 2.96 1127 806 A 51 VAL H A 50 LYS HBx 1.0 1.8 4.29 1128 806 A 50 LYS HBy A 51 VAL H 1.0 1.8 4.29 1129 807 A 51 VAL H A 50 LYS HGx 1.0 1.8 4.48 1130 807 A 50 LYS HGy A 51 VAL H 1.0 1.8 4.48 1131 808 A 50 LYS H A 50 LYS HBx 1.0 1.8 3.59 1132 808 A 50 LYS H A 50 LYS HBy 1.0 1.8 3.59 1133 809 A 50 LYS H A 50 LYS HEx 1.0 1.8 6.05 1134 809 A 50 LYS H A 50 LYS HEy 1.0 1.8 6.05 1135 810 A 50 LYS H A 50 LYS HGx 1.0 1.8 4.48 1136 810 A 50 LYS HGy A 50 LYS H 1.0 1.8 4.48 1137 811 A 51 VAL HA A 51 VAL HG1% 1.0 1.8 3.99 1138 812 A 51 VAL HA A 51 VAL HG2% 1.0 1.8 3.66 1139 813 A 51 VAL HA A 52 GLY H 1.0 1.8 3.06 1140 814 A 51 VAL HG1% A 52 GLY HAy 1.0 1.8 6.05 1141 815 A 51 VAL HG1% A 52 GLY HAx 1.0 1.8 6.05 1142 816 A 52 GLY H A 51 VAL HG1% 1.0 1.8 3.54 1143 817 A 53 TYR HE% A 51 VAL HG1% 1.0 1.8 4.88 1144 818 A 53 TYR H A 51 VAL HG1% 1.0 1.8 6.05 1145 819 A 51 VAL H A 51 VAL HB 1.0 1.8 3.28 1146 820 A 51 VAL HG1% A 51 VAL H 1.0 1.8 5.10 1147 821 A 51 VAL HG2% A 51 VAL H 1.0 1.8 3.58 1148 822 A 53 TYR HE% A 52 GLY HAx 1.0 1.8 5.08 1149 822 A 53 TYR HE% A 52 GLY HAy 1.0 1.8 5.08 1150 823 A 53 TYR HD% A 52 GLY HAy 1.0 1.8 5.48 1151 824 A 53 TYR H A 52 GLY HAy 1.0 1.8 3.92 1152 825 A 53 TYR HD% A 52 GLY HAx 1.0 1.8 5.48 1153 826 A 53 TYR H A 52 GLY HAx 1.0 1.8 3.92 1154 827 A 53 TYR H A 52 GLY H 1.0 1.8 5.25 1155 828 A 53 TYR HD% A 53 TYR HA 1.0 1.8 4.79 1156 829 A 54 ALA HB% A 53 TYR HA 1.0 1.8 5.54 1157 830 A 54 ALA H A 53 TYR HA 1.0 1.8 3.37 1158 831 A 54 ALA H A 53 TYR HBy 1.0 1.8 5.10 1159 832 A 53 TYR HBx A 54 ALA H 1.0 1.8 5.10 1160 833 A 53 TYR HD% A 54 ALA H 1.0 1.8 5.39 1161 834 A 53 TYR H A 53 TYR HD% 1.0 1.8 4.05 1162 835 A 53 TYR H A 53 TYR HE% 1.0 1.8 6.05 1163 836 A 55 SER H A 54 ALA HA 1.0 1.8 3.38 1164 837 A 54 ALA HB% A 55 SER H 1.0 1.8 3.78 1165 838 A 59 ILE HD1% A 54 ALA HB% 1.0 1.8 3.32 1166 839 A 59 ILE HD1% A 54 ALA H 1.0 1.8 6.05 1167 840 A 55 SER HA A 56 LYS H 1.0 1.8 3.12 1168 841 A 56 LYS H A 55 SER HBy 1.0 1.8 4.58 1169 841 A 55 SER HBx A 56 LYS H 1.0 1.8 4.58 1170 842 A 57 SER H A 55 SER HBy 1.0 1.8 4.47 1171 842 A 55 SER HBx A 57 SER H 1.0 1.8 4.47 1172 843 A 58 TYR HD% A 55 SER HBy 1.0 1.8 3.47 1173 843 A 58 TYR HD% A 55 SER HBx 1.0 1.8 3.47 1174 844 A 58 TYR HE% A 55 SER HBy 1.0 1.8 4.43 1175 844 A 58 TYR HE% A 55 SER HBx 1.0 1.8 4.43 1176 845 A 58 TYR H A 55 SER HBy 1.0 1.8 4.20 1177 845 A 55 SER HBx A 58 TYR H 1.0 1.8 4.20 1178 846 A 55 SER H A 55 SER HBy 1.0 1.8 3.41 1179 846 A 55 SER HBx A 55 SER H 1.0 1.8 3.41 1180 847 A 55 SER H A 56 LYS H 1.0 1.8 5.69 1181 848 A 58 TYR HD% A 55 SER H 1.0 1.8 6.05 1182 849 A 58 TYR H A 56 LYS HA 1.0 1.8 4.92 1183 850 A 56 LYS HA A 59 ILE HB 1.0 1.8 4.48 1184 851 A 59 ILE H A 56 LYS HA 1.0 1.8 4.58 1185 852 A 57 SER H A 56 LYS HBy 1.0 1.8 4.40 1186 852 A 56 LYS HBx A 57 SER H 1.0 1.8 4.40 1187 853 A 56 LYS HEy A 56 LYS HBy 1.0 1.8 5.04 1188 853 A 56 LYS HBy A 56 LYS HEx 1.0 1.8 5.04 1189 854 A 56 LYS HBx A 56 LYS HEy 1.0 1.8 5.04 1190 854 A 56 LYS HBx A 56 LYS HEx 1.0 1.8 5.04 1191 855 A 56 LYS HEx A 56 LYS HGy 1.0 1.8 4.11 1192 855 A 56 LYS HEy A 56 LYS HGy 1.0 1.8 4.11 1193 856 A 57 SER H A 56 LYS HGy 1.0 1.8 4.98 1194 857 A 56 LYS HGx A 56 LYS HEx 1.0 1.8 4.11 1195 857 A 56 LYS HEy A 56 LYS HGx 1.0 1.8 4.11 1196 858 A 57 SER H A 56 LYS HGx 1.0 1.8 4.98 1197 859 A 56 LYS H A 56 LYS HBy 1.0 1.8 3.51 1198 859 A 56 LYS H A 56 LYS HBx 1.0 1.8 3.51 1199 860 A 56 LYS H A 56 LYS HDx 1.0 1.8 5.33 1200 860 A 56 LYS HDy A 56 LYS H 1.0 1.8 5.33 1201 861 A 56 LYS H A 56 LYS HGy 1.0 1.8 3.83 1202 861 A 56 LYS H A 56 LYS HGx 1.0 1.8 3.83 1203 862 A 58 TYR HA A 57 SER HA 1.0 1.8 5.21 1204 863 A 59 ILE H A 57 SER HA 1.0 1.8 5.25 1205 864 A 58 TYR HA A 57 SER HBx 1.0 1.8 4.79 1206 864 A 58 TYR HA A 57 SER HBy 1.0 1.8 4.79 1207 865 A 58 TYR HD% A 57 SER HBx 1.0 1.8 5.40 1208 865 A 58 TYR HD% A 57 SER HBy 1.0 1.8 5.40 1209 866 A 58 TYR HE% A 57 SER HBx 1.0 1.8 4.43 1210 866 A 58 TYR HE% A 57 SER HBy 1.0 1.8 4.43 1211 867 A 58 TYR H A 57 SER HBx 1.0 1.8 4.46 1212 867 A 58 TYR H A 57 SER HBy 1.0 1.8 4.46 1213 868 A 57 SER H A 57 SER HBx 1.0 1.8 3.48 1214 868 A 57 SER H A 57 SER HBy 1.0 1.8 3.48 1215 869 A 58 TYR H A 57 SER H 1.0 1.8 3.89 1216 870 A 58 TYR HD% A 58 TYR HA 1.0 1.8 4.16 1217 871 A 58 TYR HBx A 59 ILE HG1y 1.0 1.8 5.87 1218 871 A 58 TYR HBy A 59 ILE HG1y 1.0 1.8 5.87 1219 871 A 59 ILE HG1x A 58 TYR HBy 1.0 1.8 5.87 1220 871 A 59 ILE HG1x A 58 TYR HBx 1.0 1.8 5.87 1221 872 A 59 ILE H A 58 TYR HBy 1.0 1.8 5.35 1222 873 A 59 ILE H A 58 TYR HBx 1.0 1.8 5.35 1223 874 A 58 TYR H A 58 TYR HBy 1.0 1.8 3.63 1224 874 A 58 TYR HBx A 58 TYR H 1.0 1.8 3.63 1225 875 A 58 TYR H A 59 ILE HB 1.0 1.8 5.46 1226 876 A 58 TYR H A 59 ILE HG1y 1.0 1.8 5.51 1227 876 A 59 ILE HG1x A 58 TYR H 1.0 1.8 5.51 1228 877 A 59 ILE H A 58 TYR H 1.0 1.8 3.36 1229 878 A 59 ILE HA A 59 ILE HD1% 1.0 1.8 4.57 1230 879 A 59 ILE HA A 59 ILE HG1y 1.0 1.8 4.42 1231 880 A 59 ILE HA A 59 ILE HG1x 1.0 1.8 4.42 1232 881 A 60 THR H A 59 ILE HA 1.0 1.8 3.00 1233 882 A 60 THR H A 59 ILE HB 1.0 1.8 5.64 1234 883 A 60 THR H A 59 ILE HG1y 1.0 1.8 5.63 1235 883 A 60 THR H A 59 ILE HG1x 1.0 1.8 5.63 1236 884 A 59 ILE HG2% A 59 ILE HD1% 1.0 1.8 3.38 1237 885 A 59 ILE HG2% A 59 ILE HG1y 1.0 1.8 3.59 1238 885 A 59 ILE HG2% A 59 ILE HG1x 1.0 1.8 3.59 1239 886 A 59 ILE HG2% A 60 THR HA 1.0 1.8 5.36 1240 887 A 59 ILE HG2% A 60 THR H 1.0 1.8 3.87 1241 888 A 59 ILE HG2% A 61 ILE HA 1.0 1.8 5.48 1242 889 A 59 ILE H A 59 ILE HB 1.0 1.8 3.65 1243 890 A 59 ILE HD1% A 59 ILE H 1.0 1.8 4.94 1244 891 A 59 ILE H A 59 ILE HG1y 1.0 1.8 4.18 1245 891 A 59 ILE HG1x A 59 ILE H 1.0 1.8 4.18 1246 892 A 59 ILE HG2% A 59 ILE H 1.0 1.8 4.77 1247 893 A 60 THR H A 59 ILE H 1.0 1.8 5.37 1248 894 A 60 THR HG2% A 60 THR HA 1.0 1.8 3.76 1249 895 A 60 THR HA A 61 ILE HG1x 1.0 1.8 5.21 1250 895 A 61 ILE HG1y A 60 THR HA 1.0 1.8 5.21 1251 896 A 61 ILE HG2% A 60 THR HA 1.0 1.8 5.96 1252 897 A 60 THR HA A 61 ILE H 1.0 1.8 3.30 1253 898 A 60 THR HB A 61 ILE H 1.0 1.8 4.89 1254 899 A 60 THR HG2% A 61 ILE H 1.0 1.8 4.20 1255 900 A 60 THR HB A 60 THR H 1.0 1.8 4.01 1256 901 A 60 THR H A 60 THR HG2% 1.0 1.8 4.49 1257 902 A 61 ILE HD1% A 61 ILE HA 1.0 1.8 5.58 1258 903 A 61 ILE HA A 61 ILE HG1x 1.0 1.8 3.96 1259 903 A 61 ILE HA A 61 ILE HG1y 1.0 1.8 3.96 1260 904 A 61 ILE HG2% A 61 ILE HA 1.0 1.8 3.77 1261 905 A 61 ILE HA A 62 VAL H 1.0 1.8 3.07 1262 906 A 62 VAL H A 61 ILE HB 1.0 1.8 5.09 1263 907 A 61 ILE HG2% A 61 ILE HG1x 1.0 1.8 4.11 1264 908 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 4.11 1265 909 A 61 ILE HG2% A 62 VAL H 1.0 1.8 4.07 1266 910 A 61 ILE HG2% A 64 GLU HA 1.0 1.8 5.79 1267 911 A 61 ILE HG2% A 64 GLU HGx 1.0 1.8 4.74 1268 911 A 61 ILE HG2% A 64 GLU HGy 1.0 1.8 4.74 1269 912 A 61 ILE HG2% A 64 GLU H 1.0 1.8 5.13 1270 913 A 61 ILE H A 61 ILE HB 1.0 1.8 3.60 1271 914 A 61 ILE HD1% A 61 ILE H 1.0 1.8 5.10 1272 915 A 61 ILE H A 61 ILE HG1x 1.0 1.8 3.81 1273 915 A 61 ILE HG1y A 61 ILE H 1.0 1.8 3.81 1274 916 A 61 ILE HG2% A 61 ILE H 1.0 1.8 4.64 1275 917 A 62 VAL HA A 62 VAL HG1% 1.0 1.8 3.48 1276 918 A 62 VAL HG2% A 62 VAL HA 1.0 1.8 3.73 1277 919 A 62 VAL HA A 63 ASN HA 1.0 1.8 4.97 1278 920 A 62 VAL HA A 63 ASN H 1.0 1.8 3.42 1279 921 A 63 ASN H A 62 VAL HB 1.0 1.8 4.61 1280 922 A 62 VAL HG1% A 63 ASN H 1.0 1.8 4.47 1281 923 A 62 VAL H A 62 VAL HB 1.0 1.8 4.15 1282 924 A 62 VAL H A 62 VAL HG1% 1.0 1.8 3.81 1283 925 A 62 VAL HG2% A 62 VAL H 1.0 1.8 4.06 1284 926 A 64 GLU H A 63 ASN HA 1.0 1.8 2.96 1285 927 A 63 ASN H A 63 ASN HBx 1.0 1.8 3.88 1286 927 A 63 ASN H A 63 ASN HBy 1.0 1.8 3.88 1287 928 A 65 GLY H A 64 GLU HGx 1.0 1.8 5.42 1288 928 A 64 GLU HGy A 65 GLY H 1.0 1.8 5.42 1289 929 A 64 GLU H A 64 GLU HBx 1.0 1.8 3.76 1290 929 A 64 GLU H A 64 GLU HBy 1.0 1.8 3.76 1291 930 A 64 GLU H A 64 GLU HGx 1.0 1.8 5.22 1292 930 A 64 GLU HGy A 64 GLU H 1.0 1.8 5.22 1293 931 A 67 LEU HA A 67 LEU HD2% 1.0 1.8 3.96 1294 931 A 67 LEU HA A 67 LEU HD1% 1.0 1.8 3.96 1295 932 A 67 LEU HA A 68 GLU H 1.0 1.8 3.75 1296 933 A 67 LEU HD1% A 67 LEU HBy 1.0 1.8 4.58 1297 934 A 67 LEU HBy A 67 LEU HD2% 1.0 1.8 4.58 1298 935 A 67 LEU HD1% A 67 LEU HBx 1.0 1.8 4.58 1299 936 A 67 LEU HBx A 67 LEU HD2% 1.0 1.8 4.58 1300 937 A 67 LEU H A 67 LEU HBy 1.0 1.8 3.92 1301 937 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.92 1302 938 A 68 GLU H A 68 GLU HBx 1.0 1.8 3.83 1303 938 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.83 1304 939 A 68 GLU H A 68 GLU HGx 1.0 1.8 4.96 1305 939 A 68 GLU H A 68 GLU HGy 1.0 1.8 4.96 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 GLY H A 33 VAL O 1.0 1.7 2.3 2 2 A 33 VAL O A 3 GLY N 1.0 2.7 3.3 3 3 A 4 VAL H A 60 THR O 1.0 1.7 2.3 4 4 A 60 THR O A 4 VAL N 1.0 2.7 3.3 5 5 A 11 LEU H A 27 LEU O 1.0 1.7 2.3 6 6 A 27 LEU O A 11 LEU N 1.0 2.7 3.3 7 7 A 14 ARG H A 53 TYR O 1.0 1.7 2.3 8 8 A 53 TYR O A 14 ARG N 1.0 2.7 3.3 9 9 A 24 ILE H A 13 MET O 1.0 1.7 2.3 10 10 A 13 MET O A 24 ILE N 1.0 2.7 3.3 11 11 A 27 LEU H A 11 LEU O 1.0 1.7 2.3 12 12 A 11 LEU O A 27 LEU N 1.0 2.7 3.3 13 13 A 30 ASN H A 5 VAL O 1.0 1.7 2.3 14 14 A 5 VAL O A 30 ASN N 1.0 2.7 3.3 15 15 A 33 VAL H A 3 GLY O 1.0 1.7 2.3 16 16 A 3 GLY O A 33 VAL N 1.0 2.7 3.3 17 17 A 39 VAL H A 42 TRP O 1.0 1.7 2.3 18 18 A 42 TRP O A 39 VAL N 1.0 2.7 3.3 19 19 A 42 TRP H A 39 VAL O 1.0 1.7 2.3 20 20 A 39 VAL O A 42 TRP N 1.0 2.7 3.3 21 21 A 45 ILE H A 52 GLY O 1.0 1.7 2.3 22 22 A 52 GLY O A 45 ILE N 1.0 2.7 3.3 23 23 A 44 GLU H A 37 LYS O 1.0 1.7 2.3 24 24 A 37 LYS O A 44 GLU N 1.0 2.7 3.3 25 25 A 46 ARG H A 34 GLU O 1.0 1.7 2.3 26 26 A 34 GLU O A 46 ARG N 1.0 2.7 3.3 27 27 A 50 LYS H A 47 PHE O 1.0 1.7 2.3 28 28 A 47 PHE O A 50 LYS N 1.0 2.7 3.3 29 29 A 52 GLY H A 45 ILE O 1.0 1.7 2.3 30 30 A 45 ILE O A 52 GLY N 1.0 2.7 3.3 31 31 A 53 TYR H A 14 ARG O 1.0 1.7 2.3 32 32 A 14 ARG O A 53 TYR N 1.0 2.7 3.3 33 33 A 54 ALA H A 43 TYR O 1.0 1.7 2.3 34 34 A 43 TYR O A 54 ALA N 1.0 2.7 3.3 35 35 A 60 THR H A 4 VAL O 1.0 1.7 2.3 36 36 A 4 VAL O A 60 THR N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 GLN N A 2 GLN CA A 2 GLN C 1.0 -148.7 -86.1 PHI 2 2 A 2 GLN N A 2 GLN CA A 2 GLN C A 3 GLY N 1.0 102.6 160.4 PSI 3 3 A 2 GLN C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -220.3 -80.3 PHI 4 4 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 VAL N 1.0 127.4 186.0 PSI 5 5 A 3 GLY C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -151.2 -111.2 PHI 6 6 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 VAL N 1.0 114.7 163.9 PSI 7 7 A 4 VAL C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -117.0 -65.0 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 LYS N 1.0 89.4 149.4 PSI 9 9 A 5 VAL C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -139.3 -74.3 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 VAL N 1.0 106.8 166.8 PSI 11 11 A 6 LYS C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -162.9 -113.3 PHI 12 12 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 ASN N 1.0 138.9 178.9 PSI 13 13 A 7 VAL C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -109.6 -50.0 PHI 14 14 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 SER N 1.0 -50.7 -2.7 PSI 15 15 A 9 SER C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -157.5 -59.5 PHI 16 16 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LEU N 1.0 103.5 143.5 PSI 17 17 A 10 ALA C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -152.9 -73.1 PHI 18 18 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ASN N 1.0 118.0 158.0 PSI 19 19 A 11 LEU C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -127.6 -71.6 PHI 20 20 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 MET N 1.0 108.7 148.7 PSI 21 21 A 12 ASN C A 13 MET N A 13 MET CA A 13 MET C 1.0 -140.2 -84.2 PHI 22 22 A 13 MET N A 13 MET CA A 13 MET C A 14 ARG N 1.0 99.6 152.2 PSI 23 23 A 13 MET C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -150.0 -80.0 PHI 24 24 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 SER N 1.0 130.3 181.5 PSI 25 25 A 14 ARG C A 15 SER N A 15 SER CA A 15 SER C 1.0 -124.7 -54.3 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 GLY N 1.0 -40.3 23.1 PSI 27 27 A 15 SER C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -162.0 -22.0 PHI 28 28 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 PRO N 1.0 102.2 214.8 PSI 29 29 A 18 GLY C A 19 SER N A 19 SER CA A 19 SER C 1.0 -94.1 -31.9 PHI 30 30 A 19 SER N A 19 SER CA A 19 SER C A 20 ASN N 1.0 -57.8 -0.8 PSI 31 31 A 19 SER C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -120.2 -55.6 PHI 32 32 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 TYR N 1.0 -39.6 24.2 PSI 33 33 A 20 ASN C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -127.1 -49.3 PHI 34 34 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 GLY N 1.0 -41.9 30.5 PSI 35 35 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -151.6 -22.8 PHI 36 36 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ILE N 1.0 97.1 169.5 PSI 37 37 A 23 VAL C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -142.5 -66.5 PHI 38 38 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 GLY N 1.0 -44.2 28.0 PSI 39 39 A 24 ILE C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 108.1 248.1 PHI 40 40 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 THR N 1.0 96.6 236.6 PSI 41 41 A 25 GLY C A 26 THR N A 26 THR CA A 26 THR C 1.0 -164.1 -82.1 PHI 42 42 A 26 THR N A 26 THR CA A 26 THR C A 27 LEU N 1.0 102.2 161.8 PSI 43 43 A 26 THR C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -155.7 -99.9 PHI 44 44 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ARG N 1.0 107.8 170.2 PSI 45 45 A 27 LEU C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -169.4 -70.8 PHI 46 46 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 ASN N 1.0 136.9 176.9 PSI 47 47 A 31 ASP C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -132.3 -72.9 PHI 48 48 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 VAL N 1.0 117.4 168.6 PSI 49 49 A 32 LYS C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -149.8 -109.8 PHI 50 50 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 GLU N 1.0 135.5 182.3 PSI 51 51 A 33 VAL C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -143.3 -78.1 PHI 52 52 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 ILE N 1.0 101.6 149.0 PSI 53 53 A 34 GLU C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -104.0 -64.0 PHI 54 54 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ILE N 1.0 94.7 138.3 PSI 55 55 A 35 ILE C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -115.5 -66.1 PHI 56 56 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 LYS N 1.0 -64.7 -17.3 PSI 57 57 A 36 ILE C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -180.6 -140.6 PHI 58 58 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 GLU N 1.0 138.6 178.6 PSI 59 59 A 37 LYS C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -156.1 -86.1 PHI 60 60 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 VAL N 1.0 87.7 166.7 PSI 61 61 A 38 GLU C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -168.0 -66.6 PHI 62 62 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ASP N 1.0 109.6 149.6 PSI 63 63 A 40 ASP C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 54.7 103.9 PHI 64 64 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 TRP N 1.0 -66.2 66.2 PSI 65 65 A 41 GLY C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -140.0 -55.6 PHI 66 66 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 TYR N 1.0 70.0 210.0 PSI 67 67 A 42 TRP C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -183.2 -43.2 PHI 68 68 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 GLU N 1.0 84.7 165.9 PSI 69 69 A 43 TYR C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -139.9 -66.3 PHI 70 70 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 ILE N 1.0 102.8 166.0 PSI 71 71 A 44 GLU C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -152.6 -101.0 PHI 72 72 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 ARG N 1.0 140.9 180.9 PSI 73 73 A 45 ILE C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -164.2 -87.2 PHI 74 74 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 PHE N 1.0 114.1 154.1 PSI 75 75 A 46 ARG C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -170.3 -97.3 PHI 76 76 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 ASN N 1.0 105.4 145.4 PSI 77 77 A 47 PHE C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 32.4 72.4 PHI 78 78 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 GLY N 1.0 23.6 63.6 PSI 79 79 A 48 ASN C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 55.3 95.3 PHI 80 80 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 LYS N 1.0 -15.9 28.5 PSI 81 81 A 49 GLY C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -144.1 -81.3 PHI 82 82 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 VAL N 1.0 124.6 164.6 PSI 83 83 A 50 LYS C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -145.3 -79.5 PHI 84 84 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 GLY N 1.0 113.1 161.5 PSI 85 85 A 51 VAL C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 -224.3 -84.3 PHI 86 86 A 52 GLY N A 52 GLY CA A 52 GLY C A 53 TYR N 1.0 146.2 210.4 PSI 87 87 A 52 GLY C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -177.2 -97.8 PHI 88 88 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 ALA N 1.0 118.7 180.1 PSI 89 89 A 53 TYR C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -173.1 -100.9 PHI 90 90 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 SER N 1.0 114.0 175.2 PSI 91 91 A 55 SER C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -87.5 -45.3 PHI 92 92 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 SER N 1.0 -54.0 -12.0 PSI 93 93 A 56 LYS C A 57 SER N A 57 SER CA A 57 SER C 1.0 -95.2 -42.0 PHI 94 94 A 57 SER N A 57 SER CA A 57 SER C A 58 TYR N 1.0 -57.6 -5.2 PSI 95 95 A 57 SER C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -130.0 -79.8 PHI 96 96 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 ILE N 1.0 -33.9 31.5 PSI 97 97 A 58 TYR C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -164.0 -76.0 PHI 98 98 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 THR N 1.0 110.7 150.7 PSI 99 99 A 59 ILE C A 60 THR N A 60 THR CA A 60 THR C 1.0 -133.9 -93.9 PHI 100 100 A 60 THR N A 60 THR CA A 60 THR C A 61 ILE N 1.0 107.8 148.4 PSI 101 101 A 60 THR C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -136.2 -59.6 PHI 102 102 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 VAL N 1.0 106.4 155.6 PSI 103 103 A 61 ILE C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -142.4 -62.8 PHI 104 104 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 ASN N 1.0 107.1 147.1 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2757.1 2 1H 9354.5 3 1H 15243.9 stop_ save_ save_Cnoesy_aliph_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14534.9 2 1H 9354.5 3 1H 12755.1 stop_ save_ save_Cnoesy_arom_600.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom_600.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 4525.1 2 1H 8997.9 3 1H 6598.5 stop_ save_ save_4d_d2o_noesy_600.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4d_d2o_noesy_600.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.3 3 1H 4197.3 4 1H 8000 2 13C 3121.3 stop_ save_