data_nef_c17971_2lk2 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 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 LEU middle . . 13 A 13 PRO middle . false 14 A 14 LYS middle . . 15 A 15 GLU middle . . 16 A 16 SER middle . . 17 A 17 VAL middle . . 18 A 18 GLN middle . . 19 A 19 ILE middle . . 20 A 20 LEU middle . . 21 A 21 ARG middle . . 22 A 22 ASP middle . . 23 A 23 TRP middle . . 24 A 24 LEU middle . . 25 A 25 TYR middle . . 26 A 26 GLU middle . . 27 A 27 HIS middle . . 28 A 28 ARG middle . . 29 A 29 TYR middle . . 30 A 30 ASN middle . . 31 A 31 ALA middle . . 32 A 32 TYR middle . . 33 A 33 PRO middle . false 34 A 34 SER middle . . 35 A 35 GLU middle . . 36 A 36 GLN middle . . 37 A 37 GLU middle . . 38 A 38 LYS middle . . 39 A 39 ALA middle . . 40 A 40 LEU middle . . 41 A 41 LEU middle . . 42 A 42 SER middle . . 43 A 43 GLN middle . . 44 A 44 GLN middle . . 45 A 45 THR middle . . 46 A 46 HIS middle . . 47 A 47 LEU middle . . 48 A 48 SER middle . . 49 A 49 THR middle . . 50 A 50 LEU middle . . 51 A 51 GLN middle . . 52 A 52 VAL middle . . 53 A 53 CYS middle . . 54 A 54 ASN middle . . 55 A 55 TRP middle . . 56 A 56 PHE middle . . 57 A 57 ILE middle . . 58 A 58 ASN middle . . 59 A 59 ALA middle . . 60 A 60 ARG middle . . 61 A 61 ARG middle . . 62 A 62 ARG middle . . 63 A 63 LEU middle . . 64 A 64 LEU middle . . 65 A 65 PRO middle . false 66 A 66 ASP middle . . 67 A 67 MET middle . . 68 A 68 LEU middle . . 69 A 69 ARG middle . . 70 A 70 LYS middle . . 71 A 71 ASP middle . . 72 A 72 GLY middle . false 73 A 73 LYS middle . . 74 A 74 ASP middle . . 75 A 75 PRO middle . false 76 A 76 ASN middle . . 77 A 77 GLN middle . . 78 A 78 PHE middle . . 79 A 79 THR middle . . 80 A 80 ILE middle . . 81 A 81 SER middle . . 82 A 82 ARG middle . . 83 A 83 ARG middle . . 84 A 84 GLY middle . false 85 A 85 ALA middle . . 86 A 86 LYS middle . . 87 A 87 ILE middle . . 88 A 88 SER middle . . 89 A 89 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET C C 13 178.0 0.2 A 2 GLY H H 1 8.51 0.02 A 2 GLY HAx H 1 3.92 0.02 A 2 GLY HAy H 1 3.92 0.02 A 2 GLY C C 13 174.1 0.2 A 2 GLY CA C 13 45.0 0.2 A 2 GLY N N 15 110.1 0.2 A 3 HIS H H 1 8.39 0.02 A 3 HIS HA H 1 4.65 0.02 A 3 HIS HBx H 1 3.21 0.02 A 3 HIS HBy H 1 3.38 0.02 A 3 HIS CA C 13 55.2 0.2 A 3 HIS CB C 13 28.8 0.2 A 3 HIS N N 15 117.6 0.2 A 7 HIS HA H 1 4.69 0.02 A 7 HIS HBx H 1 3.18 0.02 A 7 HIS HBy H 1 3.18 0.02 A 7 HIS C C 13 174.0 0.2 A 7 HIS CA C 13 55.5 0.2 A 7 HIS CB C 13 29.3 0.2 A 8 HIS H H 1 8.71 0.02 A 8 HIS HA H 1 4.73 0.02 A 8 HIS HBx H 1 3.21 0.02 A 8 HIS HBy H 1 3.21 0.02 A 8 HIS C C 13 174.2 0.2 A 8 HIS CA C 13 55.3 0.2 A 8 HIS CB C 13 29.4 0.2 A 8 HIS N N 15 121.4 0.2 A 9 SER H H 1 8.51 0.02 A 9 SER HA H 1 4.42 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 13 174.1 0.2 A 9 SER CA C 13 58.3 0.2 A 9 SER CB C 13 63.9 0.2 A 9 SER N N 15 118.0 0.2 A 10 HIS H H 1 8.73 0.02 A 10 HIS HA H 1 4.75 0.02 A 10 HIS HBx H 1 3.20 0.02 A 10 HIS HBy H 1 3.30 0.02 A 10 HIS C C 13 174.1 0.2 A 10 HIS CA C 13 55.3 0.2 A 10 HIS CB C 13 28.9 0.2 A 10 HIS N N 15 120.7 0.2 A 11 MET H H 1 8.39 0.02 A 11 MET HA H 1 4.50 0.02 A 11 MET HBx H 1 1.97 0.02 A 11 MET HBy H 1 2.05 0.02 A 11 MET HE% H 1 2.22 0.02 A 11 MET HGx H 1 2.56 0.02 A 11 MET HGy H 1 2.56 0.02 A 11 MET C C 13 175.9 0.2 A 11 MET CA C 13 55.4 0.2 A 11 MET CB C 13 33.4 0.2 A 11 MET CE C 13 18.6 0.2 A 11 MET CG C 13 31.8 0.2 A 11 MET N N 15 122.2 0.2 A 12 LEU H H 1 8.53 0.02 A 12 LEU HA H 1 4.64 0.02 A 12 LEU HBx H 1 1.33 0.02 A 12 LEU HBy H 1 1.64 0.02 A 12 LEU HDx% H 1 0.93 0.02 A 12 LEU HDy% H 1 0.93 0.02 A 12 LEU HG H 1 1.81 0.02 A 12 LEU CA C 13 53.0 0.2 A 12 LEU CB C 13 41.7 0.2 A 12 LEU CDx C 13 25.4 0.2 A 12 LEU CDy C 13 25.4 0.2 A 12 LEU CG C 13 27.2 0.2 A 12 LEU N N 15 125.1 0.2 A 13 PRO HA H 1 4.47 0.02 A 13 PRO HBy H 1 2.51 0.02 A 13 PRO HBx H 1 1.99 0.02 A 13 PRO HDy H 1 4.03 0.02 A 13 PRO HDx H 1 3.55 0.02 A 13 PRO HGx H 1 2.09 0.02 A 13 PRO HGy H 1 2.21 0.02 A 13 PRO C C 13 178.0 0.2 A 13 PRO CA C 13 63.1 0.2 A 13 PRO CB C 13 32.2 0.2 A 13 PRO CD C 13 50.8 0.2 A 13 PRO CG C 13 27.9 0.2 A 14 LYS H H 1 8.78 0.02 A 14 LYS HA H 1 4.01 0.02 A 14 LYS HBx H 1 1.82 0.02 A 14 LYS HBy H 1 1.91 0.02 A 14 LYS HDx H 1 1.71 0.02 A 14 LYS HDy H 1 1.71 0.02 A 14 LYS HEx H 1 3.01 0.02 A 14 LYS HEy H 1 3.01 0.02 A 14 LYS HGx H 1 1.45 0.02 A 14 LYS HGy H 1 1.50 0.02 A 14 LYS C C 13 178.6 0.2 A 14 LYS CA C 13 59.4 0.2 A 14 LYS CB C 13 32.4 0.2 A 14 LYS CD C 13 29.2 0.2 A 14 LYS CE C 13 42 0.2 A 14 LYS CG C 13 24.6 0.2 A 14 LYS N N 15 124.3 0.2 A 15 GLU H H 1 9.23 0.02 A 15 GLU HA H 1 4.14 0.02 A 15 GLU HBx H 1 2.08 0.02 A 15 GLU HBy H 1 2.08 0.02 A 15 GLU HGx H 1 2.38 0.02 A 15 GLU HGy H 1 2.46 0.02 A 15 GLU C C 13 178.5 0.2 A 15 GLU CA C 13 59.0 0.2 A 15 GLU CB C 13 28.6 0.2 A 15 GLU CG C 13 35.8 0.2 A 15 GLU N N 15 119.1 0.2 A 16 SER H H 1 7.43 0.02 A 16 SER HA H 1 4.08 0.02 A 16 SER HBx H 1 3.77 0.02 A 16 SER HBy H 1 3.95 0.02 A 16 SER C C 13 174.7 0.2 A 16 SER CA C 13 62.3 0.2 A 16 SER CB C 13 62.4 0.2 A 16 SER N N 15 115.1 0.2 A 17 VAL H H 1 7.66 0.02 A 17 VAL HA H 1 3.11 0.02 A 17 VAL HB H 1 2.02 0.02 A 17 VAL HGx% H 1 0.99 0.02 A 17 VAL HGy% H 1 0.95 0.02 A 17 VAL C C 13 176.9 0.2 A 17 VAL CA C 13 66.0 0.2 A 17 VAL CB C 13 31.4 0.2 A 17 VAL CGx C 13 21.6 0.2 A 17 VAL CGy C 13 23.1 0.2 A 17 VAL N N 15 119.6 0.2 A 18 GLN H H 1 7.83 0.02 A 18 GLN HA H 1 3.81 0.02 A 18 GLN HBx H 1 2.08 0.02 A 18 GLN HBy H 1 2.17 0.02 A 18 GLN HE2x H 1 6.88 0.02 A 18 GLN HE2y H 1 7.77 0.02 A 18 GLN HGx H 1 2.38 0.02 A 18 GLN HGy H 1 2.38 0.02 A 18 GLN C C 13 177.3 0.2 A 18 GLN CA C 13 58.9 0.2 A 18 GLN CB C 13 28.2 0.2 A 18 GLN CD C 13 180.2 0.2 A 18 GLN CG C 13 33.4 0.2 A 18 GLN N N 15 119.3 0.2 A 18 GLN NE2 N 15 114.7 0.2 A 19 ILE H H 1 7.12 0.02 A 19 ILE HA H 1 3.74 0.02 A 19 ILE HB H 1 1.74 0.02 A 19 ILE HD1% H 1 0.77 0.02 A 19 ILE HG1x H 1 1.10 0.02 A 19 ILE HG1y H 1 1.76 0.02 A 19 ILE HG2% H 1 0.75 0.02 A 19 ILE C C 13 179.2 0.2 A 19 ILE CA C 13 64.9 0.2 A 19 ILE CB C 13 38.3 0.2 A 19 ILE CD1 C 13 13.9 0.2 A 19 ILE CG1 C 13 29.1 0.2 A 19 ILE CG2 C 13 17 0.2 A 19 ILE N N 15 118.2 0.2 A 20 LEU H H 1 7.08 0.02 A 20 LEU HA H 1 3.64 0.02 A 20 LEU HBx H 1 -0.48 0.02 A 20 LEU HBy H 1 0.40 0.02 A 20 LEU HDx% H 1 -0.29 0.02 A 20 LEU HDy% H 1 0.43 0.02 A 20 LEU HG H 1 1.26 0.02 A 20 LEU C C 13 177.7 0.2 A 20 LEU CA C 13 57.9 0.2 A 20 LEU CB C 13 37.7 0.2 A 20 LEU CDy C 13 23.7 0.2 A 20 LEU CDx C 13 23.5 0.2 A 20 LEU CG C 13 25.4 0.2 A 20 LEU N N 15 120.2 0.2 A 21 ARG H H 1 8.61 0.02 A 21 ARG HA H 1 4.01 0.02 A 21 ARG HBx H 1 1.95 0.02 A 21 ARG HBy H 1 1.95 0.02 A 21 ARG HDx H 1 3.23 0.02 A 21 ARG HDy H 1 3.23 0.02 A 21 ARG HE H 1 7.31 0.02 A 21 ARG HGx H 1 1.67 0.02 A 21 ARG HGy H 1 1.67 0.02 A 21 ARG C C 13 178.7 0.2 A 21 ARG CA C 13 60.5 0.2 A 21 ARG CB C 13 30.1 0.2 A 21 ARG CD C 13 43.7 0.2 A 21 ARG CG C 13 28.8 0.2 A 21 ARG N N 15 119.6 0.2 A 21 ARG NE N 15 84.2 0.2 A 22 ASP H H 1 8.59 0.02 A 22 ASP HA H 1 4.58 0.02 A 22 ASP HBx H 1 2.80 0.02 A 22 ASP HBy H 1 2.93 0.02 A 22 ASP C C 13 178.4 0.2 A 22 ASP CA C 13 57.3 0.2 A 22 ASP CB C 13 39.3 0.2 A 22 ASP N N 15 120.2 0.2 A 23 TRP H H 1 8.19 0.02 A 23 TRP HA H 1 4.23 0.02 A 23 TRP HBx H 1 3.44 0.02 A 23 TRP HBy H 1 3.69 0.02 A 23 TRP HD1 H 1 7.37 0.02 A 23 TRP HE1 H 1 10.00 0.02 A 23 TRP HH2 H 1 6.46 0.02 A 23 TRP HZ2 H 1 6.87 0.02 A 23 TRP HZ3 H 1 6.06 0.02 A 23 TRP C C 13 180.4 0.2 A 23 TRP CA C 13 63.3 0.2 A 23 TRP CB C 13 29.7 0.2 A 23 TRP CD1 C 13 128.3 0.2 A 23 TRP CH2 C 13 123 0.2 A 23 TRP CZ2 C 13 113.6 0.2 A 23 TRP CZ3 C 13 122 0.2 A 23 TRP N N 15 122.2 0.2 A 23 TRP NE1 N 15 130 0.2 A 24 LEU H H 1 9.15 0.02 A 24 LEU HA H 1 4.14 0.02 A 24 LEU HBx H 1 2.03 0.02 A 24 LEU HBy H 1 2.52 0.02 A 24 LEU HDx% H 1 1.22 0.02 A 24 LEU HDy% H 1 0.99 0.02 A 24 LEU HG H 1 1.82 0.02 A 24 LEU C C 13 176.7 0.2 A 24 LEU CA C 13 59.2 0.2 A 24 LEU CB C 13 42.2 0.2 A 24 LEU CDx C 13 24.8 0.2 A 24 LEU CDy C 13 27.8 0.2 A 24 LEU CG C 13 26.4 0.2 A 24 LEU N N 15 121.2 0.2 A 25 TYR H H 1 8.55 0.02 A 25 TYR HA H 1 4.23 0.02 A 25 TYR HBx H 1 3.07 0.02 A 25 TYR HBy H 1 3.21 0.02 A 25 TYR HDx H 1 7.12 0.02 A 25 TYR HDy H 1 7.12 0.02 A 25 TYR HEx H 1 6.82 0.02 A 25 TYR HEy H 1 6.82 0.02 A 25 TYR C C 13 179.5 0.2 A 25 TYR CA C 13 62.5 0.2 A 25 TYR CB C 13 38.3 0.2 A 25 TYR CDx C 13 132.9 0.2 A 25 TYR CDy C 13 132.9 0.2 A 25 TYR CEx C 13 118.2 0.2 A 25 TYR CEy C 13 118.2 0.2 A 25 TYR N N 15 115.9 0.2 A 26 GLU H H 1 8.19 0.02 A 26 GLU HA H 1 3.73 0.02 A 26 GLU HBx H 1 1.73 0.02 A 26 GLU HBy H 1 1.93 0.02 A 26 GLU HGx H 1 2.18 0.02 A 26 GLU HGy H 1 2.35 0.02 A 26 GLU C C 13 177.0 0.2 A 26 GLU CA C 13 58.0 0.2 A 26 GLU CB C 13 28.5 0.2 A 26 GLU CG C 13 34.6 0.2 A 26 GLU N N 15 118.8 0.2 A 27 HIS H H 1 7.66 0.02 A 27 HIS HA H 1 4.38 0.02 A 27 HIS HBx H 1 1.66 0.02 A 27 HIS HBy H 1 3.02 0.02 A 27 HIS C C 13 176.4 0.2 A 27 HIS CA C 13 54.9 0.2 A 27 HIS CB C 13 26.3 0.2 A 27 HIS N N 15 115.8 0.2 A 28 ARG H H 1 6.65 0.02 A 28 ARG HA H 1 3.89 0.02 A 28 ARG HBx H 1 1.36 0.02 A 28 ARG HBy H 1 1.72 0.02 A 28 ARG HDx H 1 2.34 0.02 A 28 ARG HDy H 1 2.50 0.02 A 28 ARG HE H 1 7.53 0.02 A 28 ARG HGx H 1 1.14 0.02 A 28 ARG HGy H 1 1.14 0.02 A 28 ARG C C 13 175.2 0.2 A 28 ARG CA C 13 58.9 0.2 A 28 ARG CB C 13 28.3 0.2 A 28 ARG CD C 13 43.4 0.2 A 28 ARG CG C 13 24.1 0.2 A 28 ARG N N 15 118.3 0.2 A 28 ARG NE N 15 83.7 0.2 A 29 TYR H H 1 7.72 0.02 A 29 TYR HA H 1 4.50 0.02 A 29 TYR HBx H 1 2.68 0.02 A 29 TYR HBy H 1 3.28 0.02 A 29 TYR HDx H 1 7.03 0.02 A 29 TYR HDy H 1 7.03 0.02 A 29 TYR HEx H 1 6.69 0.02 A 29 TYR HEy H 1 6.69 0.02 A 29 TYR C C 13 176.0 0.2 A 29 TYR CA C 13 58.6 0.2 A 29 TYR CB C 13 37.2 0.2 A 29 TYR CDx C 13 132.8 0.2 A 29 TYR CDy C 13 132.8 0.2 A 29 TYR CEx C 13 118.5 0.2 A 29 TYR CEy C 13 118.5 0.2 A 29 TYR N N 15 115.2 0.2 A 30 ASN H H 1 8.08 0.02 A 30 ASN HA H 1 4.91 0.02 A 30 ASN HBx H 1 2.89 0.02 A 30 ASN HBy H 1 2.89 0.02 A 30 ASN HD2x H 1 6.90 0.02 A 30 ASN HD2y H 1 7.56 0.02 A 30 ASN C C 13 175.3 0.2 A 30 ASN CA C 13 53.6 0.2 A 30 ASN CB C 13 37.5 0.2 A 30 ASN CG C 13 178 0.2 A 30 ASN N N 15 119.1 0.2 A 30 ASN ND2 N 15 110.8 0.2 A 31 ALA H H 1 8.91 0.02 A 31 ALA HA H 1 4.51 0.02 A 31 ALA HB% H 1 1.30 0.02 A 31 ALA C C 13 178.4 0.2 A 31 ALA CA C 13 52.9 0.2 A 31 ALA CB C 13 17.8 0.2 A 31 ALA N N 15 129.4 0.2 A 32 TYR H H 1 7.87 0.02 A 32 TYR HA H 1 4.61 0.02 A 32 TYR HBx H 1 2.72 0.02 A 32 TYR HBy H 1 2.87 0.02 A 32 TYR HDx H 1 7.12 0.02 A 32 TYR HDy H 1 7.12 0.02 A 32 TYR HEx H 1 6.78 0.02 A 32 TYR HEy H 1 6.78 0.02 A 32 TYR CA C 13 55.4 0.2 A 32 TYR CB C 13 39.3 0.2 A 32 TYR CDx C 13 133.6 0.2 A 32 TYR CDy C 13 133.6 0.2 A 32 TYR CEx C 13 117.8 0.2 A 32 TYR CEy C 13 117.8 0.2 A 32 TYR N N 15 119.1 0.2 A 33 PRO HA H 1 4.54 0.02 A 33 PRO HBy H 1 1.30 0.02 A 33 PRO HBx H 1 0.80 0.02 A 33 PRO HDy H 1 3.38 0.02 A 33 PRO HDx H 1 2.46 0.02 A 33 PRO HGx H 1 0.05 0.02 A 33 PRO HGy H 1 0.92 0.02 A 33 PRO C C 13 176.9 0.2 A 33 PRO CA C 13 61.9 0.2 A 33 PRO CB C 13 30.8 0.2 A 33 PRO CD C 13 50 0.2 A 33 PRO CG C 13 25.7 0.2 A 34 SER H H 1 9.58 0.02 A 34 SER HA H 1 4.53 0.02 A 34 SER HBx H 1 4.13 0.02 A 34 SER HBy H 1 4.49 0.02 A 34 SER C C 13 174.7 0.2 A 34 SER CA C 13 57.0 0.2 A 34 SER CB C 13 65.4 0.2 A 34 SER N N 15 120.9 0.2 A 35 GLU H H 1 9.11 0.02 A 35 GLU HA H 1 3.91 0.02 A 35 GLU HBx H 1 2.08 0.02 A 35 GLU HBy H 1 2.08 0.02 A 35 GLU HGx H 1 2.45 0.02 A 35 GLU HGy H 1 2.45 0.02 A 35 GLU C C 13 179.4 0.2 A 35 GLU CA C 13 60.2 0.2 A 35 GLU CB C 13 28.7 0.2 A 35 GLU CG C 13 35.7 0.2 A 35 GLU N N 15 120.5 0.2 A 36 GLN H H 1 8.55 0.02 A 36 GLN HA H 1 4.13 0.02 A 36 GLN HBx H 1 2.01 0.02 A 36 GLN HBy H 1 2.10 0.02 A 36 GLN HE2x H 1 6.90 0.02 A 36 GLN HE2y H 1 7.53 0.02 A 36 GLN HGx H 1 2.46 0.02 A 36 GLN HGy H 1 2.46 0.02 A 36 GLN C C 13 178.9 0.2 A 36 GLN CA C 13 59.2 0.2 A 36 GLN CB C 13 28.1 0.2 A 36 GLN CD C 13 180.2 0.2 A 36 GLN CG C 13 34.1 0.2 A 36 GLN N N 15 119.2 0.2 A 36 GLN NE2 N 15 112 0.2 A 37 GLU H H 1 7.87 0.02 A 37 GLU HA H 1 3.93 0.02 A 37 GLU HBx H 1 1.57 0.02 A 37 GLU HBy H 1 2.18 0.02 A 37 GLU HGx H 1 2.38 0.02 A 37 GLU HGy H 1 2.46 0.02 A 37 GLU C C 13 178.7 0.2 A 37 GLU CA C 13 58.9 0.2 A 37 GLU CB C 13 29.0 0.2 A 37 GLU CG C 13 36.5 0.2 A 37 GLU N N 15 121.3 0.2 A 38 LYS H H 1 8.71 0.02 A 38 LYS HA H 1 3.49 0.02 A 38 LYS HBx H 1 1.57 0.02 A 38 LYS HBy H 1 1.87 0.02 A 38 LYS HDx H 1 1.55 0.02 A 38 LYS HDy H 1 1.55 0.02 A 38 LYS HEy H 1 2.79 0.02 A 38 LYS HGx H 1 0.89 0.02 A 38 LYS HGy H 1 1.36 0.02 A 38 LYS C C 13 178.0 0.2 A 38 LYS CA C 13 60.7 0.2 A 38 LYS CB C 13 32.7 0.2 A 38 LYS CD C 13 30.2 0.2 A 38 LYS CE C 13 41.6 0.2 A 38 LYS CG C 13 26.4 0.2 A 38 LYS N N 15 118.9 0.2 A 39 ALA H H 1 7.56 0.02 A 39 ALA HA H 1 4.01 0.02 A 39 ALA HB% H 1 1.51 0.02 A 39 ALA C C 13 180.3 0.2 A 39 ALA CA C 13 55.2 0.2 A 39 ALA CB C 13 17.6 0.2 A 39 ALA N N 15 121.4 0.2 A 40 LEU H H 1 7.8 0.02 A 40 LEU HA H 1 4.12 0.02 A 40 LEU HBx H 1 1.72 0.02 A 40 LEU HBy H 1 1.72 0.02 A 40 LEU HDx% H 1 0.95 0.02 A 40 LEU HDy% H 1 0.93 0.02 A 40 LEU HG H 1 1.61 0.02 A 40 LEU C C 13 179.4 0.2 A 40 LEU CA C 13 58.0 0.2 A 40 LEU CB C 13 41.5 0.2 A 40 LEU CDx C 13 23.9 0.2 A 40 LEU CDy C 13 24.3 0.2 A 40 LEU CG C 13 26.9 0.2 A 40 LEU N N 15 121.3 0.2 A 41 LEU H H 1 8.56 0.02 A 41 LEU HA H 1 4.00 0.02 A 41 LEU HBx H 1 0.93 0.02 A 41 LEU HBy H 1 1.76 0.02 A 41 LEU HDx% H 1 -0.16 0.02 A 41 LEU HDy% H 1 0.67 0.02 A 41 LEU HG H 1 1.46 0.02 A 41 LEU C C 13 181.3 0.2 A 41 LEU CA C 13 57.8 0.2 A 41 LEU CB C 13 42.3 0.2 A 41 LEU CDy C 13 24 0.2 A 41 LEU CDx C 13 21.9 0.2 A 41 LEU CG C 13 26.8 0.2 A 41 LEU N N 15 119.2 0.2 A 42 SER H H 1 8.47 0.02 A 42 SER HA H 1 4.02 0.02 A 42 SER HBx H 1 3.88 0.02 A 42 SER HBy H 1 4.01 0.02 A 42 SER C C 13 176.2 0.2 A 42 SER CA C 13 61.4 0.2 A 42 SER CB C 13 63.0 0.2 A 42 SER N N 15 117.8 0.2 A 43 GLN H H 1 7.78 0.02 A 43 GLN HA H 1 4.00 0.02 A 43 GLN HBx H 1 2.24 0.02 A 43 GLN HBy H 1 2.28 0.02 A 43 GLN HE2x H 1 6.79 0.02 A 43 GLN HE2y H 1 7.41 0.02 A 43 GLN HGx H 1 2.39 0.02 A 43 GLN HGy H 1 2.53 0.02 A 43 GLN C C 13 179.0 0.2 A 43 GLN CA C 13 58.9 0.2 A 43 GLN CB C 13 28.3 0.2 A 43 GLN CD C 13 180.2 0.2 A 43 GLN CG C 13 33.7 0.2 A 43 GLN N N 15 120.8 0.2 A 43 GLN NE2 N 15 111.3 0.2 A 44 GLN H H 1 8.35 0.02 A 44 GLN HA H 1 3.98 0.02 A 44 GLN HBx H 1 2.04 0.02 A 44 GLN HBy H 1 2.14 0.02 A 44 GLN HE2x H 1 6.56 0.02 A 44 GLN HE2y H 1 7.23 0.02 A 44 GLN HGx H 1 2.38 0.02 A 44 GLN HGy H 1 2.64 0.02 A 44 GLN C C 13 177.8 0.2 A 44 GLN CA C 13 58.4 0.2 A 44 GLN CB C 13 29.9 0.2 A 44 GLN CD C 13 178.8 0.2 A 44 GLN CG C 13 34 0.2 A 44 GLN N N 15 116.0 0.2 A 44 GLN NE2 N 15 108.2 0.2 A 45 THR H H 1 7.83 0.02 A 45 THR HA H 1 4.04 0.02 A 45 THR HB H 1 4.03 0.02 A 45 THR HG1 H 1 4.49 0.02 A 45 THR HG2% H 1 1.20 0.02 A 45 THR C C 13 175.4 0.2 A 45 THR CA C 13 62.3 0.2 A 45 THR CB C 13 71.2 0.2 A 45 THR CG2 C 13 22 0.2 A 45 THR N N 15 104.1 0.2 A 46 HIS H H 1 7.72 0.02 A 46 HIS HA H 1 4.31 0.02 A 46 HIS HBx H 1 3.44 0.02 A 46 HIS HBy H 1 3.61 0.02 A 46 HIS HD2 H 1 7.22 0.02 A 46 HIS C C 13 173.2 0.2 A 46 HIS CA C 13 56.9 0.2 A 46 HIS CB C 13 25.7 0.2 A 46 HIS N N 15 115.5 0.2 A 47 LEU H H 1 7.66 0.02 A 47 LEU HA H 1 4.75 0.02 A 47 LEU HBx H 1 1.44 0.02 A 47 LEU HBy H 1 1.61 0.02 A 47 LEU HDx% H 1 0.64 0.02 A 47 LEU HDy% H 1 0.85 0.02 A 47 LEU HG H 1 1.54 0.02 A 47 LEU C C 13 176.9 0.2 A 47 LEU CA C 13 53.0 0.2 A 47 LEU CB C 13 44.5 0.2 A 47 LEU CDy C 13 25.8 0.2 A 47 LEU CDx C 13 22.7 0.2 A 47 LEU CG C 13 26.4 0.2 A 47 LEU N N 15 119.7 0.2 A 48 SER H H 1 9.10 0.02 A 48 SER HA H 1 4.54 0.02 A 48 SER HBx H 1 4.05 0.02 A 48 SER HBy H 1 4.44 0.02 A 48 SER C C 13 175.4 0.2 A 48 SER CA C 13 57.2 0.2 A 48 SER CB C 13 65.0 0.2 A 48 SER N N 15 117.6 0.2 A 49 THR H H 1 9.03 0.02 A 49 THR HA H 1 3.75 0.02 A 49 THR HB H 1 4.14 0.02 A 49 THR HG2% H 1 1.27 0.02 A 49 THR C C 13 176.9 0.2 A 49 THR CA C 13 66.9 0.2 A 49 THR CB C 13 67.8 0.2 A 49 THR CG2 C 13 22.6 0.2 A 49 THR N N 15 115.5 0.2 A 50 LEU H H 1 8.03 0.02 A 50 LEU HA H 1 4.15 0.02 A 50 LEU HBx H 1 1.65 0.02 A 50 LEU HBy H 1 1.65 0.02 A 50 LEU HDy% H 1 0.55 0.02 A 50 LEU HG H 1 1.57 0.02 A 50 LEU C C 13 178.7 0.2 A 50 LEU CA C 13 58.4 0.2 A 50 LEU CB C 13 41.9 0.2 A 50 LEU CDy C 13 24.5 0.2 A 50 LEU CDx C 13 22.3 0.2 A 50 LEU CG C 13 27.2 0.2 A 50 LEU N N 15 123.0 0.2 A 51 GLN H H 1 7.90 0.02 A 51 GLN HA H 1 4.11 0.02 A 51 GLN HBx H 1 1.89 0.02 A 51 GLN HBy H 1 2.57 0.02 A 51 GLN HE2x H 1 6.99 0.02 A 51 GLN HE2y H 1 7.65 0.02 A 51 GLN HGx H 1 2.50 0.02 A 51 GLN HGy H 1 2.50 0.02 A 51 GLN C C 13 180.2 0.2 A 51 GLN CA C 13 59.2 0.2 A 51 GLN CB C 13 29.8 0.2 A 51 GLN CD C 13 179.6 0.2 A 51 GLN CG C 13 35.2 0.2 A 51 GLN N N 15 118.6 0.2 A 51 GLN NE2 N 15 113 0.2 A 52 VAL H H 1 8.38 0.02 A 52 VAL HA H 1 3.49 0.02 A 52 VAL HB H 1 2.29 0.02 A 52 VAL HGx% H 1 0.98 0.02 A 52 VAL HGy% H 1 0.83 0.02 A 52 VAL C C 13 177.3 0.2 A 52 VAL CA C 13 67.5 0.2 A 52 VAL CB C 13 32.0 0.2 A 52 VAL CGx C 13 21.7 0.2 A 52 VAL CGy C 13 23.2 0.2 A 52 VAL N N 15 121.0 0.2 A 53 CYS H H 1 8.7 0.02 A 53 CYS HA H 1 4.21 0.02 A 53 CYS HBx H 1 3.08 0.02 A 53 CYS HBy H 1 3.18 0.02 A 53 CYS C C 13 178.0 0.2 A 53 CYS CA C 13 64.3 0.2 A 53 CYS CB C 13 26.6 0.2 A 53 CYS N N 15 118.3 0.2 A 54 ASN H H 1 8.76 0.02 A 54 ASN HA H 1 4.56 0.02 A 54 ASN HBx H 1 2.82 0.02 A 54 ASN HBy H 1 2.94 0.02 A 54 ASN HD2x H 1 6.84 0.02 A 54 ASN HD2y H 1 7.61 0.02 A 54 ASN C C 13 177.7 0.2 A 54 ASN CA C 13 55.9 0.2 A 54 ASN CB C 13 37.8 0.2 A 54 ASN CG C 13 175.3 0.2 A 54 ASN N N 15 118.5 0.2 A 54 ASN ND2 N 15 111.3 0.2 A 55 TRP H H 1 8.42 0.02 A 55 TRP HA H 1 4.05 0.02 A 55 TRP HBx H 1 3.17 0.02 A 55 TRP HBy H 1 3.38 0.02 A 55 TRP HD1 H 1 7.18 0.02 A 55 TRP HE1 H 1 9.99 0.02 A 55 TRP HE3 H 1 6.07 0.02 A 55 TRP HH2 H 1 6.51 0.02 A 55 TRP HZ2 H 1 7.12 0.02 A 55 TRP HZ3 H 1 6.08 0.02 A 55 TRP C C 13 179.5 0.2 A 55 TRP CA C 13 63.1 0.2 A 55 TRP CB C 13 28.2 0.2 A 55 TRP CD1 C 13 127.2 0.2 A 55 TRP CH2 C 13 123.1 0.2 A 55 TRP CZ2 C 13 114.1 0.2 A 55 TRP CZ3 C 13 120.8 0.2 A 55 TRP N N 15 123.1 0.2 A 55 TRP NE1 N 15 129.1 0.2 A 56 PHE H H 1 8.34 0.02 A 56 PHE HA H 1 3.96 0.02 A 56 PHE HBx H 1 3.22 0.02 A 56 PHE HBy H 1 3.22 0.02 A 56 PHE HDx H 1 7.47 0.02 A 56 PHE HDy H 1 7.47 0.02 A 56 PHE C C 13 177.8 0.2 A 56 PHE CA C 13 64.0 0.2 A 56 PHE CB C 13 39.4 0.2 A 56 PHE N N 15 117.3 0.2 A 57 ILE H H 1 7.95 0.02 A 57 ILE HA H 1 3.68 0.02 A 57 ILE HB H 1 1.91 0.02 A 57 ILE HD1% H 1 0.97 0.02 A 57 ILE HG1x H 1 1.14 0.02 A 57 ILE HG1y H 1 1.94 0.02 A 57 ILE HG2% H 1 0.93 0.02 A 57 ILE C C 13 178.9 0.2 A 57 ILE CA C 13 65.8 0.2 A 57 ILE CB C 13 38.5 0.2 A 57 ILE CD1 C 13 13.5 0.2 A 57 ILE CG1 C 13 29.3 0.2 A 57 ILE CG2 C 13 16.7 0.2 A 57 ILE N N 15 119.8 0.2 A 58 ASN H H 1 7.24 0.02 A 58 ASN HA H 1 4.40 0.02 A 58 ASN HBx H 1 2.56 0.02 A 58 ASN HBy H 1 2.66 0.02 A 58 ASN HD2x H 1 6.94 0.02 A 58 ASN HD2y H 1 7.51 0.02 A 58 ASN C C 13 177.4 0.2 A 58 ASN CA C 13 56.1 0.2 A 58 ASN CB C 13 38.9 0.2 A 58 ASN CG C 13 175.9 0.2 A 58 ASN N N 15 116.2 0.2 A 58 ASN ND2 N 15 114.4 0.2 A 59 ALA H H 1 8.75 0.02 A 59 ALA HA H 1 3.60 0.02 A 59 ALA HB% H 1 0.30 0.02 A 59 ALA C C 13 181.0 0.2 A 59 ALA CA C 13 55.0 0.2 A 59 ALA CB C 13 19.1 0.2 A 59 ALA N N 15 123.4 0.2 A 60 ARG H H 1 8.50 0.02 A 60 ARG HA H 1 4.00 0.02 A 60 ARG HBx H 1 2.04 0.02 A 60 ARG HBy H 1 2.04 0.02 A 60 ARG HDx H 1 2.93 0.02 A 60 ARG HDy H 1 3.00 0.02 A 60 ARG HE H 1 7.13 0.02 A 60 ARG HGx H 1 1.36 0.02 A 60 ARG HGy H 1 2.12 0.02 A 60 ARG C C 13 176.6 0.2 A 60 ARG CA C 13 60.5 0.2 A 60 ARG CB C 13 30.9 0.2 A 60 ARG CD C 13 43.1 0.2 A 60 ARG CG C 13 30.5 0.2 A 60 ARG N N 15 117.4 0.2 A 60 ARG NE N 15 84.4 0.2 A 61 ARG H H 1 6.91 0.02 A 61 ARG HA H 1 4.27 0.02 A 61 ARG HBx H 1 1.93 0.02 A 61 ARG HBy H 1 1.93 0.02 A 61 ARG HDx H 1 3.16 0.02 A 61 ARG HDy H 1 3.16 0.02 A 61 ARG HE H 1 7.22 0.02 A 61 ARG HGx H 1 1.64 0.02 A 61 ARG HGy H 1 1.80 0.02 A 61 ARG C C 13 177.3 0.2 A 61 ARG CA C 13 58.0 0.2 A 61 ARG CB C 13 31.0 0.2 A 61 ARG CD C 13 43.4 0.2 A 61 ARG CG C 13 27.3 0.2 A 61 ARG N N 15 114.8 0.2 A 61 ARG NE N 15 84.4 0.2 A 62 ARG H H 1 8.00 0.02 A 62 ARG HA H 1 4.36 0.02 A 62 ARG HBx H 1 1.67 0.02 A 62 ARG HBy H 1 1.78 0.02 A 62 ARG HDx H 1 3.16 0.02 A 62 ARG HDy H 1 3.16 0.02 A 62 ARG HE H 1 7.18 0.02 A 62 ARG HGx H 1 1.55 0.02 A 62 ARG HGy H 1 1.63 0.02 A 62 ARG C C 13 176.7 0.2 A 62 ARG CA C 13 57.5 0.2 A 62 ARG CB C 13 32.3 0.2 A 62 ARG CD C 13 43 0.2 A 62 ARG CG C 13 27.3 0.2 A 62 ARG N N 15 114.6 0.2 A 62 ARG NE N 15 84.7 0.2 A 63 LEU H H 1 8.48 0.02 A 63 LEU HA H 1 4.63 0.02 A 63 LEU HBx H 1 1.55 0.02 A 63 LEU HBy H 1 1.71 0.02 A 63 LEU HDx% H 1 0.91 0.02 A 63 LEU HDy% H 1 0.91 0.02 A 63 LEU HG H 1 1.56 0.02 A 63 LEU C C 13 177.8 0.2 A 63 LEU CA C 13 56.1 0.2 A 63 LEU CB C 13 43.8 0.2 A 63 LEU CDy C 13 24.7 0.2 A 63 LEU CDx C 13 23.5 0.2 A 63 LEU CG C 13 27.1 0.2 A 63 LEU N N 15 119.0 0.2 A 64 LEU H H 1 7.70 0.02 A 64 LEU HA H 1 4.37 0.02 A 64 LEU HBx H 1 1.40 0.02 A 64 LEU HBy H 1 2.31 0.02 A 64 LEU HDx% H 1 1.07 0.02 A 64 LEU HDy% H 1 1.01 0.02 A 64 LEU HG H 1 1.68 0.02 A 64 LEU CA C 13 58.6 0.2 A 64 LEU CB C 13 41.2 0.2 A 64 LEU CDx C 13 24 0.2 A 64 LEU CDy C 13 26.1 0.2 A 64 LEU N N 15 119.1 0.2 A 65 PRO HA H 1 4.18 0.02 A 65 PRO HBy H 1 2.30 0.02 A 65 PRO HBx H 1 1.85 0.02 A 65 PRO HDy H 1 3.72 0.02 A 65 PRO HDx H 1 3.21 0.02 A 65 PRO HGx H 1 1.92 0.02 A 65 PRO HGy H 1 2.11 0.02 A 65 PRO C C 13 179.3 0.2 A 65 PRO CA C 13 67.0 0.2 A 65 PRO CB C 13 30.5 0.2 A 65 PRO CD C 13 50 0.2 A 65 PRO CG C 13 28.5 0.2 A 66 ASP H H 1 7.80 0.02 A 66 ASP HA H 1 4.49 0.02 A 66 ASP HBx H 1 2.71 0.02 A 66 ASP HBy H 1 2.80 0.02 A 66 ASP C C 13 178.4 0.2 A 66 ASP CA C 13 56.9 0.2 A 66 ASP CB C 13 40.5 0.2 A 66 ASP N N 15 115.8 0.2 A 67 MET H H 1 7.86 0.02 A 67 MET HA H 1 4.23 0.02 A 67 MET HBx H 1 2.02 0.02 A 67 MET HBy H 1 2.33 0.02 A 67 MET HGx H 1 2.58 0.02 A 67 MET HGy H 1 2.99 0.02 A 67 MET C C 13 178.1 0.2 A 67 MET CA C 13 59.1 0.2 A 67 MET CB C 13 32.7 0.2 A 67 MET CG C 13 33.2 0.2 A 67 MET N N 15 118.9 0.2 A 68 LEU H H 1 7.84 0.02 A 68 LEU HA H 1 4.16 0.02 A 68 LEU HBx H 1 1.50 0.02 A 68 LEU HBy H 1 1.79 0.02 A 68 LEU HDx% H 1 0.82 0.02 A 68 LEU HDy% H 1 0.48 0.02 A 68 LEU HG H 1 1.59 0.02 A 68 LEU C C 13 178.7 0.2 A 68 LEU CA C 13 56.3 0.2 A 68 LEU CB C 13 41.9 0.2 A 68 LEU CDy C 13 25.5 0.2 A 68 LEU CDx C 13 22.1 0.2 A 68 LEU CG C 13 26.9 0.2 A 68 LEU N N 15 117.8 0.2 A 69 ARG H H 1 7.84 0.02 A 69 ARG HA H 1 4.26 0.02 A 69 ARG HBx H 1 1.95 0.02 A 69 ARG HBy H 1 1.95 0.02 A 69 ARG HDx H 1 3.26 0.02 A 69 ARG HDy H 1 3.26 0.02 A 69 ARG HE H 1 7.38 0.02 A 69 ARG HGx H 1 1.71 0.02 A 69 ARG HGy H 1 1.81 0.02 A 69 ARG C C 13 178.1 0.2 A 69 ARG CA C 13 58.2 0.2 A 69 ARG CB C 13 30.5 0.2 A 69 ARG CD C 13 43.4 0.2 A 69 ARG CG C 13 27.7 0.2 A 69 ARG N N 15 119.9 0.2 A 69 ARG NE N 15 84.5 0.2 A 70 LYS H H 1 7.96 0.02 A 70 LYS HA H 1 4.26 0.02 A 70 LYS HBx H 1 1.90 0.02 A 70 LYS HBy H 1 1.98 0.02 A 70 LYS HDx H 1 1.71 0.02 A 70 LYS HDy H 1 1.71 0.02 A 70 LYS HEx H 1 3.00 0.02 A 70 LYS HEy H 1 3.00 0.02 A 70 LYS HGx H 1 1.49 0.02 A 70 LYS HGy H 1 1.57 0.02 A 70 LYS C C 13 176.9 0.2 A 70 LYS CA C 13 57.5 0.2 A 70 LYS CB C 13 32.5 0.2 A 70 LYS CD C 13 29.2 0.2 A 70 LYS CE C 13 42.3 0.2 A 70 LYS CG C 13 25 0.2 A 70 LYS N N 15 120.3 0.2 A 71 ASP H H 1 7.85 0.02 A 71 ASP HA H 1 4.69 0.02 A 71 ASP HBx H 1 2.85 0.02 A 71 ASP HBy H 1 2.85 0.02 A 71 ASP C C 13 176.5 0.2 A 71 ASP CA C 13 54.5 0.2 A 71 ASP CB C 13 41.1 0.2 A 71 ASP N N 15 119.4 0.2 A 72 GLY H H 1 8.16 0.02 A 72 GLY HAx H 1 4.00 0.02 A 72 GLY HAy H 1 4.00 0.02 A 72 GLY C C 13 174.2 0.2 A 72 GLY CA C 13 45.6 0.2 A 72 GLY N N 15 108.3 0.2 A 73 LYS H H 1 8.02 0.02 A 73 LYS HA H 1 4.40 0.02 A 73 LYS HBx H 1 1.73 0.02 A 73 LYS HBy H 1 1.83 0.02 A 73 LYS HDx H 1 1.65 0.02 A 73 LYS HDy H 1 1.65 0.02 A 73 LYS HEx H 1 2.96 0.02 A 73 LYS HEy H 1 2.96 0.02 A 73 LYS HGx H 1 1.37 0.02 A 73 LYS HGy H 1 1.44 0.02 A 73 LYS C C 13 175.9 0.2 A 73 LYS CA C 13 55.3 0.2 A 73 LYS CB C 13 33.2 0.2 A 73 LYS CD C 13 28.7 0.2 A 73 LYS CE C 13 42.3 0.2 A 73 LYS CG C 13 24.7 0.2 A 73 LYS N N 15 119.8 0.2 A 74 ASP H H 1 8.38 0.02 A 74 ASP HA H 1 4.86 0.02 A 74 ASP HBx H 1 2.62 0.02 A 74 ASP HBy H 1 2.82 0.02 A 74 ASP CA C 13 51.6 0.2 A 74 ASP CB C 13 41.2 0.2 A 74 ASP N N 15 122.0 0.2 A 75 PRO HA H 1 4.34 0.02 A 75 PRO HBy H 1 2.29 0.02 A 75 PRO HBx H 1 2.00 0.02 A 75 PRO HDy H 1 3.91 0.02 A 75 PRO HDx H 1 3.87 0.02 A 75 PRO HGx H 1 2.00 0.02 A 75 PRO HGy H 1 2.00 0.02 A 75 PRO C C 13 177.3 0.2 A 75 PRO CA C 13 63.9 0.2 A 75 PRO CB C 13 32.1 0.2 A 75 PRO CD C 13 50.8 0.2 A 75 PRO CG C 13 27.1 0.2 A 76 ASN H H 1 8.47 0.02 A 76 ASN HA H 1 4.64 0.02 A 76 ASN HBx H 1 2.79 0.02 A 76 ASN HBy H 1 2.79 0.02 A 76 ASN HD2x H 1 6.98 0.02 A 76 ASN HD2y H 1 7.82 0.02 A 76 ASN C C 13 175.6 0.2 A 76 ASN CA C 13 53.8 0.2 A 76 ASN CB C 13 38.5 0.2 A 76 ASN CG C 13 177 0.2 A 76 ASN N N 15 117.1 0.2 A 76 ASN ND2 N 15 114.1 0.2 A 77 GLN H H 1 7.95 0.02 A 77 GLN HA H 1 4.17 0.02 A 77 GLN HBx H 1 1.93 0.02 A 77 GLN HBy H 1 1.93 0.02 A 77 GLN HE2x H 1 6.83 0.02 A 77 GLN HE2y H 1 7.48 0.02 A 77 GLN HGx H 1 2.13 0.02 A 77 GLN HGy H 1 2.13 0.02 A 77 GLN C C 13 175.8 0.2 A 77 GLN CA C 13 56.4 0.2 A 77 GLN CB C 13 28.8 0.2 A 77 GLN CD C 13 180.1 0.2 A 77 GLN CG C 13 33.5 0.2 A 77 GLN N N 15 119.0 0.2 A 77 GLN NE2 N 15 112.4 0.2 A 78 PHE H H 1 8.05 0.02 A 78 PHE HA H 1 4.68 0.02 A 78 PHE HBx H 1 2.97 0.02 A 78 PHE HBy H 1 3.23 0.02 A 78 PHE HDx H 1 7.27 0.02 A 78 PHE HDy H 1 7.27 0.02 A 78 PHE C C 13 175.8 0.2 A 78 PHE CA C 13 57.9 0.2 A 78 PHE CB C 13 39.4 0.2 A 78 PHE CDx C 13 132.1 0.2 A 78 PHE CDy C 13 132.1 0.2 A 78 PHE N N 15 119.6 0.2 A 79 THR H H 1 7.92 0.02 A 79 THR HA H 1 4.34 0.02 A 79 THR HB H 1 4.19 0.02 A 79 THR HG2% H 1 1.19 0.02 A 79 THR C C 13 174.5 0.2 A 79 THR CA C 13 62.1 0.2 A 79 THR CB C 13 69.8 0.2 A 79 THR CG2 C 13 21.8 0.2 A 79 THR N N 15 115.2 0.2 A 80 ILE H H 1 8.09 0.02 A 80 ILE HA H 1 4.16 0.02 A 80 ILE HB H 1 1.86 0.02 A 80 ILE HD1% H 1 0.86 0.02 A 80 ILE HG1x H 1 1.19 0.02 A 80 ILE HG1y H 1 1.49 0.02 A 80 ILE HG2% H 1 0.91 0.02 A 80 ILE C C 13 176.3 0.2 A 80 ILE CA C 13 61.5 0.2 A 80 ILE CB C 13 38.7 0.2 A 80 ILE CD1 C 13 13 0.2 A 80 ILE CG1 C 13 27.3 0.2 A 80 ILE CG2 C 13 17.4 0.2 A 80 ILE N N 15 122.7 0.2 A 81 SER H H 1 8.31 0.02 A 81 SER HA H 1 4.44 0.02 A 81 SER HBx H 1 3.86 0.02 A 81 SER HBy H 1 3.86 0.02 A 81 SER C C 13 174.5 0.2 A 81 SER CA C 13 58.3 0.2 A 81 SER CB C 13 63.7 0.2 A 81 SER N N 15 119.3 0.2 A 82 ARG H H 1 8.28 0.02 A 82 ARG HA H 1 4.34 0.02 A 82 ARG HBx H 1 1.74 0.02 A 82 ARG HBy H 1 1.87 0.02 A 82 ARG HDx H 1 3.15 0.02 A 82 ARG HDy H 1 3.17 0.02 A 82 ARG HGx H 1 1.62 0.02 A 82 ARG HGy H 1 1.62 0.02 A 82 ARG C C 13 176.2 0.2 A 82 ARG CA C 13 56.1 0.2 A 82 ARG CB C 13 30.6 0.2 A 82 ARG CD C 13 43.4 0.2 A 82 ARG CG C 13 27 0.2 A 82 ARG N N 15 123.2 0.2 A 83 ARG H H 1 8.31 0.02 A 83 ARG HA H 1 4.29 0.02 A 83 ARG HBx H 1 1.78 0.02 A 83 ARG HBy H 1 1.86 0.02 A 83 ARG HDy H 1 3.19 0.02 A 83 ARG HDx H 1 3.17 0.02 A 83 ARG HGx H 1 1.62 0.02 A 83 ARG HGy H 1 1.62 0.02 A 83 ARG C C 13 176.8 0.2 A 83 ARG CA C 13 56.5 0.2 A 83 ARG CB C 13 30.6 0.2 A 83 ARG CD C 13 43.4 0.2 A 83 ARG CG C 13 27 0.2 A 83 ARG N N 15 122.1 0.2 A 84 GLY H H 1 8.41 0.02 A 84 GLY HAx H 1 3.94 0.02 A 84 GLY HAy H 1 3.94 0.02 A 84 GLY C C 13 173.7 0.2 A 84 GLY CA C 13 45.1 0.2 A 84 GLY N N 15 110.3 0.2 A 85 ALA H H 1 8.06 0.02 A 85 ALA HA H 1 4.31 0.02 A 85 ALA HB% H 1 1.38 0.02 A 85 ALA C C 13 177.5 0.2 A 85 ALA CA C 13 52.3 0.2 A 85 ALA CB C 13 19.5 0.2 A 85 ALA N N 15 123.6 0.2 A 86 LYS H H 1 8.31 0.02 A 86 LYS HA H 1 4.33 0.02 A 86 LYS HBx H 1 1.74 0.02 A 86 LYS HBy H 1 1.82 0.02 A 86 LYS HGx H 1 1.39 0.02 A 86 LYS HGy H 1 1.46 0.02 A 86 LYS C C 13 176.4 0.2 A 86 LYS CA C 13 56.2 0.2 A 86 LYS CB C 13 33.0 0.2 A 86 LYS CD C 13 29 0.2 A 86 LYS CE C 13 42.1 0.2 A 86 LYS CG C 13 24.7 0.2 A 86 LYS N N 15 120.8 0.2 A 87 ILE H H 1 8.22 0.02 A 87 ILE HA H 1 4.21 0.02 A 87 ILE HB H 1 1.87 0.02 A 87 ILE HD1% H 1 0.86 0.02 A 87 ILE HG1x H 1 1.19 0.02 A 87 ILE HG1y H 1 1.19 0.02 A 87 ILE HG2% H 1 0.91 0.02 A 87 ILE C C 13 176.0 0.2 A 87 ILE CA C 13 61.1 0.2 A 87 ILE CB C 13 38.8 0.2 A 87 ILE CD1 C 13 13 0.2 A 87 ILE CG1 C 13 27.2 0.2 A 87 ILE CG2 C 13 17.4 0.2 A 87 ILE N N 15 122.6 0.2 A 88 SER H H 1 8.31 0.02 A 88 SER HA H 1 4.49 0.02 A 88 SER HBx H 1 3.87 0.02 A 88 SER HBy H 1 3.87 0.02 A 88 SER C C 13 173.4 0.2 A 88 SER CA C 13 58.1 0.2 A 88 SER CB C 13 64.0 0.2 A 88 SER N N 15 120.0 0.2 A 89 GLU H H 1 8.05 0.02 A 89 GLU HA H 1 4.19 0.02 A 89 GLU HBx H 1 1.91 0.02 A 89 GLU HBy H 1 1.91 0.02 A 89 GLU HGx H 1 2.29 0.02 A 89 GLU HGy H 1 2.55 0.02 A 89 GLU C C 13 58.3 0.2 A 89 GLU CA C 13 57.7 0.2 A 89 GLU CB C 13 30.5 0.2 A 89 GLU N N 15 127.5 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 8 HIS H A 7 HIS HBx 1.0 1.8 4.30 2 1 A 7 HIS HBy A 8 HIS H 1.0 1.8 4.30 3 2 A 8 HIS HA A 9 SER H 1.0 1.8 2.88 4 3 A 9 SER H A 8 HIS HBx 1.0 1.8 4.30 5 3 A 9 SER H A 8 HIS HBy 1.0 1.8 4.30 6 4 A 9 SER HA A 10 HIS H 1.0 1.8 3.76 7 5 A 10 HIS H A 9 SER HBx 1.0 1.8 4.30 8 5 A 10 HIS H A 9 SER HBy 1.0 1.8 4.30 9 6 A 10 HIS HA A 11 MET H 1.0 1.8 3.55 10 7 A 11 MET H A 10 HIS HBx 1.0 1.8 4.38 11 7 A 11 MET H A 10 HIS HBy 1.0 1.8 4.38 12 8 A 10 HIS H A 11 MET H 1.0 1.8 4.55 13 9 A 11 MET HA A 12 LEU H 1.0 1.8 3.29 14 10 A 12 LEU H A 11 MET HBx 1.0 1.8 3.88 15 10 A 12 LEU H A 11 MET HBy 1.0 1.8 3.88 16 11 A 12 LEU H A 11 MET HE% 1.0 1.8 4.47 17 12 A 11 MET HE% A 17 VAL HGy% 1.0 1.8 4.05 18 13 A 11 MET HE% A 11 MET HGx 1.0 1.8 3.72 19 13 A 11 MET HE% A 11 MET HGy 1.0 1.8 3.72 20 14 A 12 LEU H A 11 MET HGx 1.0 1.8 4.72 21 14 A 12 LEU H A 11 MET HGy 1.0 1.8 4.72 22 15 A 11 MET H A 11 MET HBx 1.0 1.8 3.20 23 15 A 11 MET H A 11 MET HBy 1.0 1.8 3.20 24 16 A 11 MET H A 11 MET HGx 1.0 1.8 4.62 25 16 A 11 MET H A 11 MET HGy 1.0 1.8 4.62 26 17 A 12 LEU HA A 12 LEU HDy% 1.0 1.8 3.74 27 18 A 12 LEU HA A 13 PRO HDx 1.0 1.8 3.12 28 18 A 12 LEU HA A 13 PRO HDy 1.0 1.8 3.12 29 19 A 12 LEU HA A 13 PRO HGx 1.0 1.8 5.61 30 19 A 12 LEU HA A 13 PRO HGy 1.0 1.8 5.61 31 20 A 17 VAL HGy% A 12 LEU HA 1.0 1.8 4.86 32 21 A 12 LEU HDy% A 12 LEU HBy 1.0 1.8 4.27 33 21 A 12 LEU HDy% A 12 LEU HBx 1.0 1.8 4.27 34 22 A 12 LEU HBx A 13 PRO HDx 1.0 1.8 4.00 35 22 A 12 LEU HBy A 13 PRO HDx 1.0 1.8 4.00 36 22 A 13 PRO HDy A 12 LEU HBy 1.0 1.8 4.00 37 22 A 13 PRO HDy A 12 LEU HBx 1.0 1.8 4.00 38 23 A 12 LEU HDx% A 12 LEU HBy 1.0 1.8 3.96 39 24 A 12 LEU HBy A 13 PRO HDx 1.0 1.8 5.21 40 25 A 13 PRO HDy A 12 LEU HBy 1.0 1.8 5.21 41 26 A 17 VAL HGy% A 12 LEU HBy 1.0 1.8 4.24 42 27 A 12 LEU HBx A 12 LEU HDx% 1.0 1.8 3.96 43 28 A 12 LEU HBx A 13 PRO HDx 1.0 1.8 5.21 44 29 A 13 PRO HDy A 12 LEU HBx 1.0 1.8 5.21 45 30 A 17 VAL HGy% A 12 LEU HBx 1.0 1.8 3.64 46 31 A 12 LEU HDx% A 13 PRO HDx 1.0 1.8 5.68 47 31 A 13 PRO HDy A 12 LEU HDx% 1.0 1.8 5.68 48 32 A 12 LEU HDx% A 20 LEU HDx% 1.0 1.8 4.59 49 33 A 12 LEU HDx% A 47 LEU HDx% 1.0 1.8 4.21 50 34 A 12 LEU HDx% A 55 TRP HBy 1.0 1.8 5.40 51 35 A 12 LEU HDx% A 55 TRP HBx 1.0 1.8 5.40 52 36 A 12 LEU HDx% A 55 TRP HD1 1.0 1.8 4.03 53 37 A 12 LEU HDx% A 55 TRP HE1 1.0 1.8 5.22 54 38 A 12 LEU HDx% A 55 TRP H 1.0 1.8 5.57 55 39 A 12 LEU HDy% A 13 PRO HDx 1.0 1.8 4.04 56 39 A 12 LEU HDy% A 13 PRO HDy 1.0 1.8 4.04 57 40 A 12 LEU HDy% A 51 GLN HE2x 1.0 1.8 4.49 58 40 A 12 LEU HDy% A 51 GLN HE2y 1.0 1.8 4.49 59 41 A 12 LEU HDy% A 51 GLN HE2x 1.0 1.8 5.17 60 42 A 12 LEU HDy% A 51 GLN HE2y 1.0 1.8 5.17 61 43 A 17 VAL HGy% A 12 LEU HG 1.0 1.8 4.33 62 44 A 12 LEU H A 12 LEU HBy 1.0 1.8 4.20 63 45 A 12 LEU H A 12 LEU HBx 1.0 1.8 4.20 64 46 A 12 LEU H A 12 LEU HDy% 1.0 1.8 4.00 65 47 A 12 LEU H A 12 LEU HG 1.0 1.8 4.25 66 48 A 12 LEU H A 13 PRO HDx 1.0 1.8 4.94 67 48 A 12 LEU H A 13 PRO HDy 1.0 1.8 4.94 68 49 A 13 PRO HA A 14 LYS HA 1.0 1.8 5.40 69 50 A 13 PRO HA A 14 LYS H 1.0 1.8 3.16 70 51 A 14 LYS H A 13 PRO HBx 1.0 1.8 4.65 71 52 A 13 PRO HBx A 16 SER H 1.0 1.8 5.27 72 53 A 14 LYS H A 13 PRO HBy 1.0 1.8 4.65 73 54 A 16 SER H A 13 PRO HBy 1.0 1.8 5.27 74 55 A 47 LEU HDx% A 13 PRO HDx 1.0 1.8 4.95 75 55 A 13 PRO HDy A 47 LEU HDx% 1.0 1.8 4.95 76 56 A 47 LEU HDy% A 13 PRO HDx 1.0 1.8 4.86 77 56 A 13 PRO HDy A 47 LEU HDy% 1.0 1.8 4.86 78 57 A 16 SER H A 13 PRO HGx 1.0 1.8 5.25 79 57 A 13 PRO HGy A 16 SER H 1.0 1.8 5.25 80 58 A 14 LYS HA A 14 LYS HDx 1.0 1.8 4.80 81 58 A 14 LYS HA A 14 LYS HDy 1.0 1.8 4.80 82 59 A 14 LYS HA A 14 LYS HGx 1.0 1.8 3.94 83 59 A 14 LYS HA A 14 LYS HGy 1.0 1.8 3.94 84 60 A 14 LYS HA A 17 VAL HB 1.0 1.8 3.99 85 61 A 17 VAL HGy% A 14 LYS HA 1.0 1.8 3.99 86 62 A 14 LYS HA A 17 VAL H 1.0 1.8 4.20 87 63 A 14 LYS HA A 18 GLN H 1.0 1.8 4.95 88 64 A 14 LYS HBx A 14 LYS HDx 1.0 1.8 3.69 89 64 A 14 LYS HBy A 14 LYS HDx 1.0 1.8 3.69 90 64 A 14 LYS HDy A 14 LYS HBx 1.0 1.8 3.69 91 64 A 14 LYS HDy A 14 LYS HBy 1.0 1.8 3.69 92 65 A 15 GLU H A 14 LYS HBx 1.0 1.8 4.17 93 65 A 14 LYS HBy A 15 GLU H 1.0 1.8 4.17 94 66 A 15 GLU H A 14 LYS HGx 1.0 1.8 4.83 95 66 A 14 LYS HGy A 15 GLU H 1.0 1.8 4.83 96 67 A 14 LYS H A 14 LYS HBx 1.0 1.8 3.49 97 67 A 14 LYS H A 14 LYS HBy 1.0 1.8 3.49 98 68 A 14 LYS H A 14 LYS HDx 1.0 1.8 5.19 99 68 A 14 LYS H A 14 LYS HDy 1.0 1.8 5.19 100 69 A 14 LYS H A 14 LYS HGx 1.0 1.8 4.85 101 69 A 14 LYS H A 14 LYS HGy 1.0 1.8 4.85 102 70 A 14 LYS H A 15 GLU H 1.0 1.8 4.39 103 71 A 15 GLU HA A 15 GLU HGx 1.0 1.8 3.85 104 71 A 15 GLU HA A 15 GLU HGy 1.0 1.8 3.85 105 72 A 18 GLN H A 15 GLU HA 1.0 1.8 4.86 106 73 A 16 SER H A 15 GLU HBx 1.0 1.8 4.29 107 73 A 16 SER H A 15 GLU HBy 1.0 1.8 4.29 108 74 A 16 SER H A 15 GLU HGx 1.0 1.8 4.96 109 74 A 16 SER H A 15 GLU HGy 1.0 1.8 4.96 110 75 A 15 GLU H A 15 GLU HBx 1.0 1.8 3.79 111 75 A 15 GLU H A 15 GLU HBy 1.0 1.8 3.79 112 76 A 15 GLU H A 15 GLU HGx 1.0 1.8 4.25 113 76 A 15 GLU H A 15 GLU HGy 1.0 1.8 4.25 114 77 A 16 SER H A 15 GLU H 1.0 1.8 4.08 115 78 A 16 SER HA A 19 ILE HB 1.0 1.8 4.95 116 79 A 16 SER HA A 19 ILE HD1% 1.0 1.8 4.35 117 80 A 16 SER HA A 19 ILE H 1.0 1.8 4.82 118 81 A 16 SER HA A 45 THR HG2% 1.0 1.8 4.13 119 82 A 17 VAL H A 16 SER HBx 1.0 1.8 3.75 120 82 A 17 VAL H A 16 SER HBy 1.0 1.8 3.75 121 83 A 45 THR HB A 16 SER HBx 1.0 1.8 4.63 122 83 A 16 SER HBy A 45 THR HB 1.0 1.8 4.63 123 84 A 45 THR HG2% A 16 SER HBx 1.0 1.8 4.50 124 84 A 45 THR HG2% A 16 SER HBy 1.0 1.8 4.50 125 85 A 47 LEU HDx% A 16 SER HBx 1.0 1.8 4.46 126 85 A 47 LEU HDx% A 16 SER HBy 1.0 1.8 4.46 127 86 A 16 SER H A 16 SER HBx 1.0 1.8 3.78 128 86 A 16 SER H A 16 SER HBy 1.0 1.8 3.78 129 87 A 17 VAL HGy% A 16 SER H 1.0 1.8 4.85 130 88 A 16 SER H A 17 VAL H 1.0 1.8 3.53 131 89 A 17 VAL HA A 17 VAL HGx% 1.0 1.8 3.66 132 90 A 17 VAL HGy% A 17 VAL HA 1.0 1.8 3.63 133 91 A 17 VAL HA A 20 LEU HBy 1.0 1.8 5.44 134 92 A 17 VAL HA A 20 LEU HBx 1.0 1.8 5.44 135 93 A 20 LEU HDx% A 17 VAL HA 1.0 1.8 4.09 136 94 A 17 VAL HA A 20 LEU HG 1.0 1.8 5.01 137 95 A 17 VAL HA A 20 LEU H 1.0 1.8 4.53 138 96 A 17 VAL HA A 21 ARG H 1.0 1.8 5.05 139 97 A 17 VAL HA A 55 TRP HZ2 1.0 1.8 5.43 140 98 A 17 VAL HB A 18 GLN H 1.0 1.8 3.75 141 99 A 18 GLN H A 17 VAL HGx% 1.0 1.8 4.57 142 100 A 17 VAL HGx% A 20 LEU HBy 1.0 1.8 4.19 143 100 A 17 VAL HGx% A 20 LEU HBx 1.0 1.8 4.19 144 101 A 17 VAL HGx% A 21 ARG HBx 1.0 1.8 4.28 145 101 A 17 VAL HGx% A 21 ARG HBy 1.0 1.8 4.28 146 102 A 17 VAL HGx% A 21 ARG HDx 1.0 1.8 4.52 147 102 A 17 VAL HGx% A 21 ARG HDy 1.0 1.8 4.52 148 103 A 17 VAL HGx% A 21 ARG H 1.0 1.8 5.05 149 104 A 55 TRP HE1 A 17 VAL HGx% 1.0 1.8 4.36 150 105 A 17 VAL HGx% A 55 TRP HZ2 1.0 1.8 3.84 151 106 A 17 VAL HGy% A 18 GLN H 1.0 1.8 4.93 152 107 A 17 VAL HGy% A 20 LEU HDx% 1.0 1.8 4.53 153 108 A 17 VAL HGy% A 55 TRP HE1 1.0 1.8 4.30 154 109 A 17 VAL HGy% A 55 TRP HZ2 1.0 1.8 5.42 155 110 A 17 VAL HB A 17 VAL H 1.0 1.8 3.43 156 111 A 17 VAL H A 17 VAL HGx% 1.0 1.8 4.77 157 112 A 17 VAL HGy% A 17 VAL H 1.0 1.8 3.30 158 113 A 17 VAL H A 18 GLN H 1.0 1.8 3.59 159 114 A 17 VAL H A 45 THR HG2% 1.0 1.8 5.59 160 115 A 47 LEU HDx% A 17 VAL H 1.0 1.8 6.02 161 116 A 18 GLN HA A 21 ARG HBx 1.0 1.8 3.81 162 116 A 21 ARG HBy A 18 GLN HA 1.0 1.8 3.81 163 117 A 18 GLN HA A 21 ARG HDx 1.0 1.8 5.18 164 117 A 21 ARG HDy A 18 GLN HA 1.0 1.8 5.18 165 118 A 21 ARG H A 18 GLN HA 1.0 1.8 4.72 166 119 A 18 GLN HA A 22 ASP H 1.0 1.8 4.80 167 120 A 19 ILE H A 18 GLN HBx 1.0 1.8 3.79 168 120 A 19 ILE H A 18 GLN HBy 1.0 1.8 3.79 169 121 A 18 GLN HE2y A 18 GLN HGx 1.0 1.8 3.53 170 121 A 18 GLN HE2x A 18 GLN HGx 1.0 1.8 3.53 171 121 A 18 GLN HGy A 18 GLN HE2x 1.0 1.8 3.53 172 121 A 18 GLN HGy A 18 GLN HE2y 1.0 1.8 3.53 173 122 A 19 ILE H A 18 GLN HGx 1.0 1.8 4.94 174 122 A 19 ILE H A 18 GLN HGy 1.0 1.8 4.94 175 123 A 18 GLN H A 18 GLN HBx 1.0 1.8 3.21 176 123 A 18 GLN H A 18 GLN HBy 1.0 1.8 3.21 177 124 A 18 GLN H A 18 GLN HGx 1.0 1.8 4.44 178 124 A 18 GLN H A 18 GLN HGy 1.0 1.8 4.44 179 125 A 18 GLN H A 19 ILE H 1.0 1.8 3.92 180 126 A 19 ILE HD1% A 19 ILE HA 1.0 1.8 5.03 181 127 A 19 ILE HA A 19 ILE HG1y 1.0 1.8 3.65 182 127 A 19 ILE HA A 19 ILE HG1x 1.0 1.8 3.65 183 128 A 19 ILE HA A 19 ILE HG2% 1.0 1.8 3.65 184 129 A 19 ILE HA A 22 ASP HBx 1.0 1.8 4.14 185 129 A 19 ILE HA A 22 ASP HBy 1.0 1.8 4.14 186 130 A 22 ASP H A 19 ILE HA 1.0 1.8 4.69 187 131 A 19 ILE HB A 20 LEU H 1.0 1.8 3.99 188 132 A 19 ILE HB A 45 THR HG2% 1.0 1.8 3.70 189 133 A 19 ILE HD1% A 44 GLN HBy 1.0 1.8 5.60 190 134 A 19 ILE HD1% A 44 GLN HBx 1.0 1.8 5.60 191 135 A 19 ILE HD1% A 44 GLN HE2x 1.0 1.8 5.87 192 135 A 19 ILE HD1% A 44 GLN HE2y 1.0 1.8 5.87 193 136 A 19 ILE HD1% A 44 GLN HGy 1.0 1.8 5.87 194 136 A 19 ILE HD1% A 44 GLN HGx 1.0 1.8 5.87 195 137 A 19 ILE HD1% A 45 THR HA 1.0 1.8 4.84 196 138 A 19 ILE HD1% A 45 THR HG2% 1.0 1.8 4.02 197 139 A 19 ILE HD1% A 45 THR H 1.0 1.8 5.43 198 140 A 19 ILE HD1% A 19 ILE HG2% 1.0 1.8 3.81 199 141 A 19 ILE HG2% A 19 ILE HG1y 1.0 1.8 3.94 200 142 A 19 ILE HG1x A 19 ILE HG2% 1.0 1.8 3.94 201 143 A 19 ILE HG2% A 20 LEU HDy% 1.0 1.8 4.51 202 144 A 20 LEU H A 19 ILE HG2% 1.0 1.8 4.22 203 145 A 19 ILE HG2% A 41 LEU HA 1.0 1.8 5.14 204 146 A 19 ILE HG2% A 41 LEU HDx% 1.0 1.8 6.05 205 147 A 19 ILE HG2% A 41 LEU HDy% 1.0 1.8 4.09 206 148 A 19 ILE HG2% A 44 GLN HBy 1.0 1.8 4.77 207 149 A 19 ILE HG2% A 44 GLN HBx 1.0 1.8 4.77 208 150 A 19 ILE HG2% A 44 GLN HE2x 1.0 1.8 5.52 209 150 A 19 ILE HG2% A 44 GLN HE2y 1.0 1.8 5.52 210 151 A 19 ILE HG2% A 44 GLN HGy 1.0 1.8 5.65 211 151 A 19 ILE HG2% A 44 GLN HGx 1.0 1.8 5.65 212 152 A 45 THR HG2% A 19 ILE HG2% 1.0 1.8 3.79 213 153 A 19 ILE HG2% A 45 THR H 1.0 1.8 6.05 214 154 A 19 ILE HB A 19 ILE H 1.0 1.8 3.23 215 155 A 19 ILE HD1% A 19 ILE H 1.0 1.8 4.03 216 156 A 19 ILE H A 19 ILE HG1y 1.0 1.8 4.16 217 157 A 19 ILE H A 19 ILE HG1x 1.0 1.8 4.16 218 158 A 19 ILE H A 19 ILE HG2% 1.0 1.8 4.58 219 159 A 19 ILE H A 20 LEU H 1.0 1.8 3.05 220 160 A 19 ILE H A 45 THR HG2% 1.0 1.8 5.20 221 161 A 20 LEU HDx% A 20 LEU HA 1.0 1.8 4.74 222 162 A 20 LEU HDy% A 20 LEU HA 1.0 1.8 3.49 223 163 A 20 LEU HA A 23 TRP HBx 1.0 1.8 3.48 224 163 A 20 LEU HA A 23 TRP HBy 1.0 1.8 3.48 225 164 A 20 LEU HA A 23 TRP H 1.0 1.8 5.02 226 165 A 41 LEU HDy% A 20 LEU HA 1.0 1.8 4.55 227 166 A 20 LEU HDy% A 20 LEU HBy 1.0 1.8 4.02 228 166 A 20 LEU HBx A 20 LEU HDy% 1.0 1.8 4.02 229 167 A 55 TRP HZ2 A 20 LEU HBy 1.0 1.8 5.91 230 167 A 55 TRP HZ2 A 20 LEU HBx 1.0 1.8 5.91 231 168 A 20 LEU HDx% A 20 LEU HBy 1.0 1.8 3.65 232 169 A 21 ARG H A 20 LEU HBy 1.0 1.8 4.97 233 170 A 20 LEU HDx% A 20 LEU HBx 1.0 1.8 3.65 234 171 A 21 ARG H A 20 LEU HBx 1.0 1.8 4.97 235 172 A 20 LEU HDx% A 21 ARG H 1.0 1.8 5.39 236 173 A 20 LEU HDx% A 45 THR HG2% 1.0 1.8 4.57 237 174 A 20 LEU HDx% A 47 LEU HDx% 1.0 1.8 3.75 238 175 A 20 LEU HDx% A 52 VAL HA 1.0 1.8 4.79 239 176 A 20 LEU HDx% A 52 VAL HGy% 1.0 1.8 4.46 240 177 A 20 LEU HDx% A 55 TRP HBy 1.0 1.8 5.30 241 178 A 20 LEU HDx% A 55 TRP HBx 1.0 1.8 5.30 242 179 A 20 LEU HDx% A 55 TRP HE1 1.0 1.8 5.46 243 180 A 20 LEU HDx% A 55 TRP HE3 1.0 1.8 5.33 244 181 A 20 LEU HDx% A 55 TRP HZ3 1.0 1.8 5.98 245 182 A 20 LEU HDy% A 41 LEU HA 1.0 1.8 5.52 246 183 A 20 LEU HDy% A 41 LEU HBx 1.0 1.8 4.41 247 183 A 20 LEU HDy% A 41 LEU HBy 1.0 1.8 4.41 248 184 A 20 LEU HDy% A 41 LEU HDx% 1.0 1.8 4.08 249 185 A 20 LEU HDy% A 41 LEU HDy% 1.0 1.8 3.75 250 186 A 20 LEU HDy% A 42 SER HA 1.0 1.8 6.05 251 187 A 45 THR HB A 20 LEU HDy% 1.0 1.8 6.05 252 188 A 45 THR HG2% A 20 LEU HDy% 1.0 1.8 3.87 253 189 A 20 LEU HDy% A 52 VAL HA 1.0 1.8 5.09 254 190 A 20 LEU HDy% A 52 VAL HGx% 1.0 1.8 4.84 255 191 A 20 LEU HDy% A 52 VAL HGy% 1.0 1.8 3.78 256 192 A 20 LEU HG A 21 ARG H 1.0 1.8 5.27 257 193 A 20 LEU HDx% A 20 LEU H 1.0 1.8 4.49 258 194 A 20 LEU H A 20 LEU HDy% 1.0 1.8 4.60 259 195 A 20 LEU HG A 20 LEU H 1.0 1.8 3.60 260 196 A 20 LEU H A 21 ARG HBx 1.0 1.8 5.10 261 196 A 20 LEU H A 21 ARG HBy 1.0 1.8 5.10 262 197 A 20 LEU H A 21 ARG H 1.0 1.8 3.79 263 198 A 45 THR HG2% A 20 LEU H 1.0 1.8 4.91 264 199 A 21 ARG HA A 21 ARG HDx 1.0 1.8 5.14 265 199 A 21 ARG HDy A 21 ARG HA 1.0 1.8 5.14 266 200 A 21 ARG HA A 24 LEU HBy 1.0 1.8 4.23 267 200 A 21 ARG HA A 24 LEU HBx 1.0 1.8 4.23 268 201 A 21 ARG HA A 24 LEU H 1.0 1.8 4.83 269 202 A 21 ARG HA A 25 TYR H 1.0 1.8 5.65 270 203 A 21 ARG HA A 55 TRP HH2 1.0 1.8 3.93 271 204 A 55 TRP HZ2 A 21 ARG HA 1.0 1.8 4.93 272 205 A 21 ARG HBx A 21 ARG HDx 1.0 1.8 3.56 273 205 A 21 ARG HBy A 21 ARG HDx 1.0 1.8 3.56 274 205 A 21 ARG HDy A 21 ARG HBx 1.0 1.8 3.56 275 205 A 21 ARG HBy A 21 ARG HDy 1.0 1.8 3.56 276 206 A 21 ARG HE A 21 ARG HBx 1.0 1.8 4.28 277 206 A 21 ARG HBy A 21 ARG HE 1.0 1.8 4.28 278 207 A 22 ASP H A 21 ARG HBx 1.0 1.8 3.76 279 207 A 21 ARG HBy A 22 ASP H 1.0 1.8 3.76 280 208 A 55 TRP HZ2 A 21 ARG HBx 1.0 1.8 4.74 281 208 A 55 TRP HZ2 A 21 ARG HBy 1.0 1.8 4.74 282 209 A 63 LEU HDx% A 21 ARG HDx 1.0 1.8 5.96 283 209 A 21 ARG HDy A 63 LEU HDx% 1.0 1.8 5.96 284 210 A 63 LEU HDy% A 21 ARG HDx 1.0 1.8 6.05 285 210 A 21 ARG HDy A 63 LEU HDy% 1.0 1.8 6.05 286 211 A 21 ARG HE A 63 LEU HDx% 1.0 1.8 5.91 287 212 A 21 ARG HE A 21 ARG HGx 1.0 1.8 4.54 288 212 A 21 ARG HE A 21 ARG HGy 1.0 1.8 4.54 289 213 A 55 TRP HZ2 A 21 ARG HGx 1.0 1.8 5.27 290 213 A 55 TRP HZ2 A 21 ARG HGy 1.0 1.8 5.27 291 214 A 63 LEU HDx% A 21 ARG HGx 1.0 1.8 4.80 292 214 A 63 LEU HDx% A 21 ARG HGy 1.0 1.8 4.80 293 215 A 21 ARG H A 21 ARG HBx 1.0 1.8 3.39 294 215 A 21 ARG H A 21 ARG HBy 1.0 1.8 3.39 295 216 A 21 ARG H A 21 ARG HGx 1.0 1.8 5.37 296 216 A 21 ARG H A 21 ARG HGy 1.0 1.8 5.37 297 217 A 21 ARG H A 55 TRP HH2 1.0 1.8 5.56 298 218 A 21 ARG H A 55 TRP HZ2 1.0 1.8 5.00 299 219 A 22 ASP HA A 25 TYR HBy 1.0 1.8 4.82 300 220 A 22 ASP HA A 25 TYR HBx 1.0 1.8 4.82 301 221 A 25 TYR H A 22 ASP HA 1.0 1.8 5.04 302 222 A 22 ASP HA A 26 GLU H 1.0 1.8 5.48 303 223 A 23 TRP H A 22 ASP HBx 1.0 1.8 3.97 304 223 A 22 ASP HBy A 23 TRP H 1.0 1.8 3.97 305 224 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.39 306 224 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.39 307 225 A 22 ASP H A 23 TRP H 1.0 1.8 3.95 308 226 A 23 TRP HA A 26 GLU HBy 1.0 1.8 5.44 309 227 A 23 TRP HA A 26 GLU HBx 1.0 1.8 5.44 310 228 A 26 GLU H A 23 TRP HA 1.0 1.8 4.95 311 229 A 24 LEU H A 23 TRP HBx 1.0 1.8 3.84 312 229 A 23 TRP HBy A 24 LEU H 1.0 1.8 3.84 313 230 A 41 LEU HDx% A 23 TRP HBx 1.0 1.8 5.12 314 230 A 41 LEU HDx% A 23 TRP HBy 1.0 1.8 5.12 315 231 A 41 LEU HDy% A 23 TRP HBx 1.0 1.8 4.25 316 231 A 41 LEU HDy% A 23 TRP HBy 1.0 1.8 4.25 317 232 A 41 LEU HDy% A 23 TRP HD1 1.0 1.8 4.38 318 233 A 23 TRP HE1 A 37 GLU HBx 1.0 1.8 5.40 319 233 A 23 TRP HE1 A 37 GLU HBy 1.0 1.8 5.40 320 234 A 23 TRP HE1 A 37 GLU HGx 1.0 1.8 4.89 321 234 A 23 TRP HE1 A 37 GLU HGy 1.0 1.8 4.89 322 235 A 41 LEU HDx% A 23 TRP HE1 1.0 1.8 5.39 323 236 A 41 LEU HDy% A 23 TRP HE1 1.0 1.8 5.17 324 237 A 23 TRP HE1 A 41 LEU HG 1.0 1.8 5.86 325 238 A 23 TRP HBy A 23 TRP H 1.0 1.8 3.90 326 239 A 23 TRP H A 23 TRP HBx 1.0 1.8 3.90 327 240 A 23 TRP H A 24 LEU H 1.0 1.8 4.07 328 241 A 41 LEU HDx% A 23 TRP HZ2 1.0 1.8 5.42 329 242 A 24 LEU HA A 24 LEU HDx% 1.0 1.8 3.79 330 243 A 24 LEU HA A 24 LEU HDy% 1.0 1.8 4.82 331 244 A 24 LEU HA A 24 LEU HG 1.0 1.8 4.18 332 245 A 24 LEU HA A 27 HIS H 1.0 1.8 4.84 333 246 A 25 TYR H A 24 LEU HBy 1.0 1.8 4.00 334 246 A 24 LEU HBx A 25 TYR H 1.0 1.8 4.00 335 247 A 55 TRP HZ3 A 24 LEU HBy 1.0 1.8 4.89 336 247 A 55 TRP HZ3 A 24 LEU HBx 1.0 1.8 4.89 337 248 A 63 LEU HDx% A 24 LEU HBy 1.0 1.8 4.83 338 248 A 24 LEU HBx A 63 LEU HDx% 1.0 1.8 4.83 339 249 A 24 LEU HDx% A 24 LEU HBy 1.0 1.8 4.50 340 250 A 24 LEU HDy% A 24 LEU HBy 1.0 1.8 3.98 341 251 A 24 LEU HBx A 24 LEU HDx% 1.0 1.8 4.50 342 252 A 24 LEU HBx A 24 LEU HDy% 1.0 1.8 3.98 343 253 A 24 LEU HDx% A 31 ALA HA 1.0 1.8 5.21 344 254 A 24 LEU HDx% A 31 ALA HB% 1.0 1.8 4.16 345 255 A 55 TRP HZ3 A 24 LEU HDx% 1.0 1.8 4.93 346 256 A 24 LEU HDx% A 59 ALA HB% 1.0 1.8 5.00 347 257 A 24 LEU HDx% A 60 ARG HBx 1.0 1.8 4.61 348 257 A 24 LEU HDx% A 60 ARG HBy 1.0 1.8 4.61 349 258 A 25 TYR H A 24 LEU HDy% 1.0 1.8 5.46 350 259 A 55 TRP HH2 A 24 LEU HDy% 1.0 1.8 4.22 351 260 A 55 TRP HZ2 A 24 LEU HDy% 1.0 1.8 5.40 352 261 A 55 TRP HZ3 A 24 LEU HDy% 1.0 1.8 4.72 353 262 A 24 LEU HDy% A 56 PHE HA 1.0 1.8 5.32 354 263 A 24 LEU HDy% A 59 ALA HB% 1.0 1.8 3.42 355 264 A 24 LEU HDy% A 60 ARG HA 1.0 1.8 3.92 356 265 A 24 LEU HDy% A 60 ARG H 1.0 1.8 4.99 357 266 A 24 LEU HDy% A 63 LEU HBy 1.0 1.8 4.91 358 266 A 24 LEU HDy% A 63 LEU HBx 1.0 1.8 4.91 359 267 A 24 LEU HDy% A 63 LEU HG 1.0 1.8 4.09 360 268 A 24 LEU HDy% A 63 LEU H 1.0 1.8 5.65 361 269 A 24 LEU HDy% A 64 LEU H 1.0 1.8 5.60 362 270 A 25 TYR H A 24 LEU HG 1.0 1.8 5.28 363 271 A 24 LEU H A 24 LEU HBy 1.0 1.8 3.97 364 272 A 24 LEU HBx A 24 LEU H 1.0 1.8 3.97 365 273 A 24 LEU H A 24 LEU HDx% 1.0 1.8 5.07 366 274 A 24 LEU H A 24 LEU HDy% 1.0 1.8 5.09 367 275 A 24 LEU H A 24 LEU HG 1.0 1.8 5.17 368 276 A 24 LEU H A 25 TYR H 1.0 1.8 4.26 369 277 A 24 LEU H A 55 TRP HH2 1.0 1.8 5.49 370 278 A 24 LEU H A 63 LEU HDx% 1.0 1.8 6.05 371 279 A 25 TYR HA A 25 TYR HD% 1.0 1.8 4.48 372 280 A 25 TYR HA A 25 TYR HE% 1.0 1.8 5.39 373 281 A 25 TYR HA A 28 ARG HBx 1.0 1.8 4.41 374 281 A 25 TYR HA A 28 ARG HBy 1.0 1.8 4.41 375 282 A 25 TYR HA A 28 ARG HDx 1.0 1.8 5.15 376 282 A 25 TYR HA A 28 ARG HDy 1.0 1.8 5.15 377 283 A 25 TYR HBy A 26 GLU HGy 1.0 1.8 4.61 378 283 A 25 TYR HBx A 26 GLU HGy 1.0 1.8 4.61 379 283 A 26 GLU HGx A 25 TYR HBy 1.0 1.8 4.61 380 283 A 25 TYR HBx A 26 GLU HGx 1.0 1.8 4.61 381 284 A 63 LEU HDx% A 25 TYR HBy 1.0 1.8 6.05 382 284 A 63 LEU HDx% A 25 TYR HBx 1.0 1.8 6.05 383 285 A 26 GLU H A 25 TYR HBy 1.0 1.8 4.66 384 286 A 26 GLU H A 25 TYR HBx 1.0 1.8 4.66 385 287 A 25 TYR HD% A 26 GLU HGy 1.0 1.8 5.21 386 287 A 25 TYR HD% A 26 GLU HGx 1.0 1.8 5.21 387 288 A 26 GLU H A 25 TYR HD% 1.0 1.8 5.21 388 289 A 63 LEU HDx% A 25 TYR HD% 1.0 1.8 6.00 389 290 A 63 LEU HDy% A 25 TYR HD% 1.0 1.8 5.65 390 291 A 25 TYR H A 25 TYR HBy 1.0 1.8 3.97 391 292 A 25 TYR H A 25 TYR HBx 1.0 1.8 3.97 392 293 A 25 TYR H A 25 TYR HD% 1.0 1.8 5.38 393 294 A 25 TYR H A 26 GLU HGy 1.0 1.8 5.37 394 294 A 25 TYR H A 26 GLU HGx 1.0 1.8 5.37 395 295 A 25 TYR H A 26 GLU H 1.0 1.8 4.15 396 296 A 26 GLU HBy A 27 HIS H 1.0 1.8 4.53 397 297 A 26 GLU HBx A 27 HIS H 1.0 1.8 4.53 398 298 A 26 GLU H A 26 GLU HBy 1.0 1.8 4.07 399 299 A 26 GLU H A 26 GLU HBx 1.0 1.8 4.07 400 300 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.43 401 301 A 26 GLU H A 26 GLU HGx 1.0 1.8 4.43 402 302 A 26 GLU H A 27 HIS H 1.0 1.8 3.75 403 303 A 27 HIS HA A 30 ASN H 1.0 1.8 5.42 404 304 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.74 405 304 A 27 HIS H A 27 HIS HBy 1.0 1.8 3.74 406 305 A 27 HIS H A 28 ARG H 1.0 1.8 3.95 407 306 A 31 ALA HB% A 28 ARG HA 1.0 1.8 4.44 408 307 A 28 ARG HA A 64 LEU HDx% 1.0 1.8 4.37 409 308 A 29 TYR H A 28 ARG HBx 1.0 1.8 4.30 410 308 A 28 ARG HBy A 29 TYR H 1.0 1.8 4.30 411 309 A 64 LEU HDx% A 28 ARG HBx 1.0 1.8 4.53 412 309 A 28 ARG HBy A 64 LEU HDx% 1.0 1.8 4.53 413 310 A 29 TYR H A 28 ARG HGx 1.0 1.8 4.86 414 310 A 29 TYR H A 28 ARG HGy 1.0 1.8 4.86 415 311 A 28 ARG H A 28 ARG HGx 1.0 1.8 4.51 416 311 A 28 ARG H A 28 ARG HGy 1.0 1.8 4.51 417 312 A 28 ARG H A 29 TYR H 1.0 1.8 4.76 418 313 A 29 TYR HA A 29 TYR HD% 1.0 1.8 4.28 419 314 A 29 TYR HA A 68 LEU HDy% 1.0 1.8 6.05 420 315 A 30 ASN H A 29 TYR HBx 1.0 1.8 4.60 421 315 A 30 ASN H A 29 TYR HBy 1.0 1.8 4.60 422 316 A 68 LEU HDy% A 29 TYR HE% 1.0 1.8 4.73 423 317 A 29 TYR H A 29 TYR HBx 1.0 1.8 3.69 424 317 A 29 TYR H A 29 TYR HBy 1.0 1.8 3.69 425 318 A 29 TYR H A 29 TYR HD% 1.0 1.8 4.46 426 319 A 30 ASN H A 29 TYR H 1.0 1.8 3.84 427 320 A 31 ALA HB% A 30 ASN HA 1.0 1.8 5.03 428 321 A 30 ASN HA A 31 ALA H 1.0 1.8 3.82 429 322 A 30 ASN HA A 32 TYR HD% 1.0 1.8 5.20 430 323 A 31 ALA H A 30 ASN HBx 1.0 1.8 4.30 431 323 A 31 ALA H A 30 ASN HBy 1.0 1.8 4.30 432 324 A 31 ALA HB% A 30 ASN H 1.0 1.8 5.24 433 325 A 30 ASN H A 31 ALA H 1.0 1.8 4.61 434 326 A 31 ALA HB% A 32 TYR H 1.0 1.8 4.30 435 327 A 31 ALA HB% A 60 ARG HDx 1.0 1.8 4.43 436 327 A 31 ALA HB% A 60 ARG HDy 1.0 1.8 4.43 437 328 A 31 ALA HB% A 60 ARG HE 1.0 1.8 6.05 438 329 A 31 ALA HB% A 64 LEU HDx% 1.0 1.8 4.61 439 330 A 31 ALA HB% A 64 LEU HDy% 1.0 1.8 4.70 440 331 A 31 ALA H A 32 TYR HD% 1.0 1.8 5.21 441 332 A 31 ALA H A 32 TYR H 1.0 1.8 5.15 442 333 A 32 TYR HD% A 32 TYR HA 1.0 1.8 4.49 443 334 A 32 TYR HA A 33 PRO HDy 1.0 1.8 3.67 444 334 A 32 TYR HA A 33 PRO HDx 1.0 1.8 3.67 445 335 A 32 TYR HD% A 32 TYR H 1.0 1.8 4.85 446 336 A 33 PRO HA A 34 SER H 1.0 1.8 3.83 447 337 A 33 PRO HA A 37 GLU HBx 1.0 1.8 5.20 448 337 A 37 GLU HBy A 33 PRO HA 1.0 1.8 5.20 449 338 A 33 PRO HBy A 38 LYS HDx 1.0 1.8 4.80 450 338 A 38 LYS HDy A 33 PRO HBy 1.0 1.8 4.80 451 338 A 33 PRO HBx A 38 LYS HDy 1.0 1.8 4.80 452 338 A 33 PRO HBx A 38 LYS HDx 1.0 1.8 4.80 453 339 A 34 SER HA A 35 GLU H 1.0 1.8 3.52 454 340 A 35 GLU H A 34 SER HBx 1.0 1.8 3.81 455 340 A 35 GLU H A 34 SER HBy 1.0 1.8 3.81 456 341 A 36 GLN H A 34 SER HBx 1.0 1.8 4.17 457 341 A 34 SER HBy A 36 GLN H 1.0 1.8 4.17 458 342 A 37 GLU H A 34 SER HBx 1.0 1.8 4.33 459 342 A 34 SER HBy A 37 GLU H 1.0 1.8 4.33 460 343 A 37 GLU HBy A 34 SER H 1.0 1.8 4.83 461 344 A 34 SER H A 37 GLU HBx 1.0 1.8 4.83 462 345 A 34 SER H A 37 GLU HGx 1.0 1.8 5.29 463 345 A 37 GLU HGy A 34 SER H 1.0 1.8 5.29 464 346 A 34 SER H A 37 GLU H 1.0 1.8 4.79 465 347 A 35 GLU HA A 38 LYS HBx 1.0 1.8 4.68 466 347 A 35 GLU HA A 38 LYS HBy 1.0 1.8 4.68 467 348 A 35 GLU HA A 38 LYS HDx 1.0 1.8 5.42 468 348 A 38 LYS HDy A 35 GLU HA 1.0 1.8 5.42 469 349 A 35 GLU HA A 38 LYS HEx 1.0 1.8 4.99 470 349 A 35 GLU HA A 38 LYS HEy 1.0 1.8 4.99 471 350 A 35 GLU HA A 38 LYS H 1.0 1.8 5.28 472 351 A 35 GLU HA A 39 ALA H 1.0 1.8 5.28 473 352 A 36 GLN H A 35 GLU HBx 1.0 1.8 3.50 474 352 A 36 GLN H A 35 GLU HBy 1.0 1.8 3.50 475 353 A 36 GLN H A 35 GLU HGx 1.0 1.8 4.93 476 353 A 36 GLN H A 35 GLU HGy 1.0 1.8 4.93 477 354 A 35 GLU H A 35 GLU HBx 1.0 1.8 3.54 478 354 A 35 GLU H A 35 GLU HBy 1.0 1.8 3.54 479 355 A 35 GLU H A 35 GLU HGx 1.0 1.8 4.37 480 355 A 35 GLU H A 35 GLU HGy 1.0 1.8 4.37 481 356 A 35 GLU H A 36 GLN H 1.0 1.8 3.78 482 357 A 36 GLN HA A 36 GLN HE2x 1.0 1.8 4.80 483 357 A 36 GLN HA A 36 GLN HE2y 1.0 1.8 4.80 484 358 A 36 GLN HA A 36 GLN HGx 1.0 1.8 3.85 485 358 A 36 GLN HA A 36 GLN HGy 1.0 1.8 3.85 486 359 A 36 GLN HA A 39 ALA HB% 1.0 1.8 3.59 487 360 A 39 ALA H A 36 GLN HA 1.0 1.8 4.37 488 361 A 36 GLN HBx A 36 GLN HE2x 1.0 1.8 4.99 489 361 A 36 GLN HBy A 36 GLN HE2x 1.0 1.8 4.99 490 361 A 36 GLN HE2y A 36 GLN HBx 1.0 1.8 4.99 491 361 A 36 GLN HE2y A 36 GLN HBy 1.0 1.8 4.99 492 362 A 37 GLU H A 36 GLN HBx 1.0 1.8 3.81 493 362 A 37 GLU H A 36 GLN HBy 1.0 1.8 3.81 494 363 A 37 GLU H A 36 GLN HGx 1.0 1.8 5.03 495 363 A 37 GLU H A 36 GLN HGy 1.0 1.8 5.03 496 364 A 39 ALA HB% A 36 GLN HGx 1.0 1.8 4.72 497 364 A 36 GLN HGy A 39 ALA HB% 1.0 1.8 4.72 498 365 A 36 GLN H A 36 GLN HBx 1.0 1.8 3.36 499 365 A 36 GLN H A 36 GLN HBy 1.0 1.8 3.36 500 366 A 36 GLN H A 36 GLN HGx 1.0 1.8 4.81 501 366 A 36 GLN H A 36 GLN HGy 1.0 1.8 4.81 502 367 A 36 GLN H A 37 GLU H 1.0 1.8 3.94 503 368 A 37 GLU HA A 37 GLU HGx 1.0 1.8 3.73 504 368 A 37 GLU HGy A 37 GLU HA 1.0 1.8 3.73 505 369 A 37 GLU HA A 40 LEU HBx 1.0 1.8 3.93 506 369 A 37 GLU HA A 40 LEU HBy 1.0 1.8 3.93 507 370 A 37 GLU HA A 40 LEU HDx% 1.0 1.8 4.69 508 371 A 37 GLU HA A 40 LEU H 1.0 1.8 4.21 509 372 A 37 GLU HA A 41 LEU H 1.0 1.8 5.16 510 373 A 37 GLU HBy A 38 LYS H 1.0 1.8 4.48 511 374 A 38 LYS H A 37 GLU HBx 1.0 1.8 4.48 512 375 A 38 LYS H A 37 GLU HGx 1.0 1.8 5.36 513 375 A 37 GLU HGy A 38 LYS H 1.0 1.8 5.36 514 376 A 37 GLU H A 37 GLU HGx 1.0 1.8 4.04 515 376 A 37 GLU HGy A 37 GLU H 1.0 1.8 4.04 516 377 A 37 GLU H A 38 LYS H 1.0 1.8 4.00 517 378 A 38 LYS HA A 38 LYS HGx 1.0 1.8 3.86 518 378 A 38 LYS HA A 38 LYS HGy 1.0 1.8 3.86 519 379 A 38 LYS HA A 41 LEU HBx 1.0 1.8 4.29 520 379 A 41 LEU HBy A 38 LYS HA 1.0 1.8 4.29 521 380 A 41 LEU HDx% A 38 LYS HA 1.0 1.8 4.48 522 381 A 41 LEU H A 38 LYS HA 1.0 1.8 5.28 523 382 A 38 LYS HA A 49 THR HG2% 1.0 1.8 5.61 524 383 A 52 VAL HGx% A 38 LYS HA 1.0 1.8 5.12 525 384 A 38 LYS HBy A 38 LYS HEx 1.0 1.8 4.91 526 384 A 38 LYS HBx A 38 LYS HEx 1.0 1.8 4.91 527 384 A 38 LYS HEy A 38 LYS HBx 1.0 1.8 4.91 528 384 A 38 LYS HBy A 38 LYS HEy 1.0 1.8 4.91 529 385 A 39 ALA H A 38 LYS HBx 1.0 1.8 3.98 530 385 A 38 LYS HBy A 39 ALA H 1.0 1.8 3.98 531 386 A 49 THR HG2% A 38 LYS HBx 1.0 1.8 3.61 532 386 A 38 LYS HBy A 49 THR HG2% 1.0 1.8 3.61 533 387 A 49 THR HB A 38 LYS HDx 1.0 1.8 6.05 534 387 A 38 LYS HDy A 49 THR HB 1.0 1.8 6.05 535 388 A 49 THR HG2% A 38 LYS HDx 1.0 1.8 4.20 536 388 A 38 LYS HDy A 49 THR HG2% 1.0 1.8 4.20 537 389 A 49 THR HG2% A 38 LYS HEx 1.0 1.8 5.20 538 389 A 38 LYS HEy A 49 THR HG2% 1.0 1.8 5.20 539 390 A 38 LYS HEy A 38 LYS HGx 1.0 1.8 3.64 540 390 A 38 LYS HEx A 38 LYS HGx 1.0 1.8 3.64 541 390 A 38 LYS HGy A 38 LYS HEx 1.0 1.8 3.64 542 390 A 38 LYS HEy A 38 LYS HGy 1.0 1.8 3.64 543 391 A 39 ALA H A 38 LYS HGx 1.0 1.8 5.17 544 391 A 39 ALA H A 38 LYS HGy 1.0 1.8 5.17 545 392 A 38 LYS H A 38 LYS HBx 1.0 1.8 3.72 546 392 A 38 LYS HBy A 38 LYS H 1.0 1.8 3.72 547 393 A 38 LYS H A 38 LYS HGx 1.0 1.8 4.00 548 393 A 38 LYS H A 38 LYS HGy 1.0 1.8 4.00 549 394 A 38 LYS H A 39 ALA H 1.0 1.8 3.77 550 395 A 39 ALA HA A 42 SER HBx 1.0 1.8 4.60 551 395 A 39 ALA HA A 42 SER HBy 1.0 1.8 4.60 552 396 A 39 ALA HA A 43 GLN H 1.0 1.8 5.28 553 397 A 49 THR HG2% A 39 ALA HA 1.0 1.8 4.67 554 398 A 39 ALA HB% A 40 LEU H 1.0 1.8 3.54 555 399 A 39 ALA H A 39 ALA HB% 1.0 1.8 3.17 556 400 A 39 ALA H A 40 LEU H 1.0 1.8 3.75 557 401 A 39 ALA H A 49 THR HG2% 1.0 1.8 5.19 558 402 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 3.90 559 403 A 40 LEU HA A 43 GLN HBx 1.0 1.8 3.94 560 403 A 40 LEU HA A 43 GLN HBy 1.0 1.8 3.94 561 404 A 43 GLN H A 40 LEU HA 1.0 1.8 4.55 562 405 A 40 LEU HDx% A 40 LEU HBx 1.0 1.8 3.75 563 405 A 40 LEU HBy A 40 LEU HDx% 1.0 1.8 3.75 564 406 A 40 LEU HDy% A 40 LEU HBx 1.0 1.8 3.67 565 406 A 40 LEU HBy A 40 LEU HDy% 1.0 1.8 3.67 566 407 A 41 LEU H A 40 LEU HBx 1.0 1.8 3.95 567 407 A 40 LEU HBy A 41 LEU H 1.0 1.8 3.95 568 408 A 41 LEU H A 40 LEU HDy% 1.0 1.8 4.85 569 409 A 40 LEU HDy% A 44 GLN HE2x 1.0 1.8 5.15 570 410 A 40 LEU HDy% A 44 GLN HE2y 1.0 1.8 5.15 571 411 A 40 LEU HDy% A 44 GLN HGy 1.0 1.8 4.46 572 411 A 44 GLN HGx A 40 LEU HDy% 1.0 1.8 4.46 573 412 A 40 LEU H A 40 LEU HBx 1.0 1.8 3.29 574 412 A 40 LEU HBy A 40 LEU H 1.0 1.8 3.29 575 413 A 40 LEU HDx% A 40 LEU H 1.0 1.8 4.42 576 414 A 40 LEU H A 40 LEU HDy% 1.0 1.8 5.13 577 415 A 40 LEU H A 40 LEU HG 1.0 1.8 4.91 578 416 A 40 LEU H A 41 LEU H 1.0 1.8 3.86 579 417 A 41 LEU HA A 41 LEU HDx% 1.0 1.8 4.93 580 418 A 41 LEU HA A 41 LEU HDy% 1.0 1.8 3.48 581 419 A 41 LEU HA A 44 GLN HBy 1.0 1.8 4.62 582 420 A 41 LEU HA A 44 GLN HBx 1.0 1.8 4.62 583 421 A 45 THR HG2% A 41 LEU HA 1.0 1.8 5.22 584 422 A 45 THR H A 41 LEU HA 1.0 1.8 4.91 585 423 A 41 LEU HDx% A 41 LEU HBx 1.0 1.8 3.73 586 423 A 41 LEU HDx% A 41 LEU HBy 1.0 1.8 3.73 587 424 A 41 LEU HDy% A 41 LEU HBx 1.0 1.8 3.66 588 424 A 41 LEU HDy% A 41 LEU HBy 1.0 1.8 3.66 589 425 A 42 SER H A 41 LEU HBx 1.0 1.8 4.13 590 425 A 41 LEU HBy A 42 SER H 1.0 1.8 4.13 591 426 A 41 LEU HDx% A 52 VAL HGx% 1.0 1.8 4.80 592 427 A 41 LEU HDy% A 42 SER H 1.0 1.8 5.35 593 428 A 41 LEU HDy% A 44 GLN HBx 1.0 1.8 5.17 594 428 A 41 LEU HDy% A 44 GLN HBy 1.0 1.8 5.17 595 429 A 41 LEU HG A 42 SER H 1.0 1.8 5.22 596 430 A 41 LEU HDx% A 41 LEU H 1.0 1.8 4.99 597 431 A 41 LEU HDy% A 41 LEU H 1.0 1.8 5.12 598 432 A 41 LEU HG A 41 LEU H 1.0 1.8 4.08 599 433 A 41 LEU H A 42 SER H 1.0 1.8 4.58 600 434 A 45 THR HG2% A 42 SER HA 1.0 1.8 4.30 601 434 A 42 SER HA A 45 THR HG1 1.0 1.8 4.30 602 435 A 42 SER HA A 47 LEU HBy 1.0 1.8 5.26 603 435 A 42 SER HA A 47 LEU HBx 1.0 1.8 5.26 604 436 A 42 SER HA A 47 LEU H 1.0 1.8 4.39 605 437 A 42 SER HA A 52 VAL HGx% 1.0 1.8 4.94 606 438 A 52 VAL HGy% A 42 SER HA 1.0 1.8 3.94 607 439 A 43 GLN H A 42 SER HBx 1.0 1.8 3.73 608 439 A 42 SER HBy A 43 GLN H 1.0 1.8 3.73 609 440 A 49 THR HG2% A 42 SER HBx 1.0 1.8 4.23 610 440 A 49 THR HG2% A 42 SER HBy 1.0 1.8 4.23 611 441 A 52 VAL HB A 42 SER HBx 1.0 1.8 5.15 612 441 A 42 SER HBy A 52 VAL HB 1.0 1.8 5.15 613 442 A 52 VAL HGx% A 42 SER HBx 1.0 1.8 4.93 614 442 A 52 VAL HGx% A 42 SER HBy 1.0 1.8 4.93 615 443 A 52 VAL HGy% A 42 SER HBx 1.0 1.8 4.25 616 443 A 52 VAL HGy% A 42 SER HBy 1.0 1.8 4.25 617 444 A 42 SER H A 42 SER HBx 1.0 1.8 3.58 618 444 A 42 SER HBy A 42 SER H 1.0 1.8 3.58 619 445 A 43 GLN H A 42 SER H 1.0 1.8 3.83 620 446 A 42 SER H A 52 VAL HB 1.0 1.8 6.05 621 447 A 52 VAL HGx% A 42 SER H 1.0 1.8 5.33 622 448 A 52 VAL HGy% A 42 SER H 1.0 1.8 4.73 623 449 A 43 GLN HA A 43 GLN HE2x 1.0 1.8 5.05 624 449 A 43 GLN HA A 43 GLN HE2y 1.0 1.8 5.05 625 450 A 43 GLN HA A 43 GLN HGy 1.0 1.8 4.39 626 451 A 43 GLN HA A 43 GLN HGx 1.0 1.8 4.39 627 452 A 43 GLN HBx A 43 GLN HE2x 1.0 1.8 4.94 628 452 A 43 GLN HBy A 43 GLN HE2x 1.0 1.8 4.94 629 452 A 43 GLN HE2y A 43 GLN HBx 1.0 1.8 4.94 630 452 A 43 GLN HBy A 43 GLN HE2y 1.0 1.8 4.94 631 453 A 43 GLN HBx A 43 GLN HGy 1.0 1.8 2.43 632 453 A 43 GLN HBy A 43 GLN HGy 1.0 1.8 2.43 633 453 A 43 GLN HGx A 43 GLN HBx 1.0 1.8 2.43 634 453 A 43 GLN HBy A 43 GLN HGx 1.0 1.8 2.43 635 454 A 44 GLN H A 43 GLN HBx 1.0 1.8 4.16 636 454 A 43 GLN HBy A 44 GLN H 1.0 1.8 4.16 637 455 A 43 GLN H A 43 GLN HBx 1.0 1.8 3.38 638 455 A 43 GLN H A 43 GLN HBy 1.0 1.8 3.38 639 456 A 43 GLN H A 43 GLN HGy 1.0 1.8 4.00 640 456 A 43 GLN H A 43 GLN HGx 1.0 1.8 4.00 641 457 A 43 GLN H A 44 GLN H 1.0 1.8 3.77 642 458 A 44 GLN HA A 44 GLN HGy 1.0 1.8 3.71 643 458 A 44 GLN HGx A 44 GLN HA 1.0 1.8 3.71 644 459 A 45 THR HG2% A 44 GLN HBy 1.0 1.8 5.41 645 460 A 45 THR H A 44 GLN HBy 1.0 1.8 4.41 646 461 A 45 THR HG2% A 44 GLN HBx 1.0 1.8 5.41 647 462 A 45 THR H A 44 GLN HBx 1.0 1.8 4.41 648 463 A 44 GLN HGx A 44 GLN HE2x 1.0 1.8 3.53 649 463 A 44 GLN HE2x A 44 GLN HGy 1.0 1.8 3.53 650 463 A 44 GLN HGx A 44 GLN HE2y 1.0 1.8 3.53 651 463 A 44 GLN HE2y A 44 GLN HGy 1.0 1.8 3.53 652 464 A 45 THR H A 44 GLN HGy 1.0 1.8 5.57 653 465 A 44 GLN HGx A 45 THR H 1.0 1.8 5.57 654 466 A 44 GLN H A 44 GLN HGy 1.0 1.8 4.15 655 466 A 44 GLN HGx A 44 GLN H 1.0 1.8 4.15 656 467 A 45 THR H A 44 GLN H 1.0 1.8 4.11 657 468 A 45 THR HG2% A 45 THR HA 1.0 1.8 3.45 658 469 A 47 LEU HDx% A 45 THR HB 1.0 1.8 4.35 659 470 A 47 LEU HDy% A 45 THR HB 1.0 1.8 5.17 660 471 A 45 THR HB A 47 LEU HG 1.0 1.8 4.26 661 472 A 45 THR HG2% A 46 HIS H 1.0 1.8 5.08 662 472 A 45 THR HG1 A 46 HIS H 1.0 1.8 5.08 663 473 A 45 THR HG2% A 47 LEU H 1.0 1.8 4.31 664 473 A 45 THR HG1 A 47 LEU H 1.0 1.8 4.31 665 474 A 45 THR HG2% A 52 VAL HGy% 1.0 1.8 4.66 666 474 A 52 VAL HGy% A 45 THR HG1 1.0 1.8 4.66 667 475 A 45 THR HG2% A 46 HIS H 1.0 1.8 4.83 668 476 A 45 THR HG2% A 45 THR H 1.0 1.8 3.52 669 476 A 45 THR H A 45 THR HG1 1.0 1.8 3.52 670 477 A 45 THR HG2% A 45 THR H 1.0 1.8 3.73 671 478 A 45 THR H A 46 HIS H 1.0 1.8 4.57 672 479 A 45 THR H A 52 VAL HGy% 1.0 1.8 5.94 673 480 A 47 LEU H A 46 HIS HBx 1.0 1.8 4.30 674 480 A 47 LEU H A 46 HIS HBy 1.0 1.8 4.30 675 481 A 47 LEU HDx% A 47 LEU HA 1.0 1.8 5.07 676 482 A 47 LEU HDy% A 47 LEU HA 1.0 1.8 3.43 677 483 A 47 LEU HA A 48 SER H 1.0 1.8 3.49 678 484 A 47 LEU HBy A 51 GLN HBx 1.0 1.8 4.73 679 484 A 47 LEU HBx A 51 GLN HBx 1.0 1.8 4.73 680 484 A 51 GLN HBy A 47 LEU HBy 1.0 1.8 4.73 681 484 A 47 LEU HBx A 51 GLN HBy 1.0 1.8 4.73 682 485 A 47 LEU HBx A 51 GLN HGx 1.0 1.8 5.17 683 485 A 47 LEU HBy A 51 GLN HGx 1.0 1.8 5.17 684 485 A 51 GLN HGy A 47 LEU HBy 1.0 1.8 5.17 685 485 A 47 LEU HBx A 51 GLN HGy 1.0 1.8 5.17 686 486 A 47 LEU HDx% A 47 LEU HBy 1.0 1.8 4.16 687 487 A 47 LEU HDy% A 47 LEU HBy 1.0 1.8 4.07 688 488 A 48 SER H A 47 LEU HBy 1.0 1.8 4.49 689 489 A 51 GLN HBy A 47 LEU HBy 1.0 1.8 5.30 690 489 A 47 LEU HBy A 51 GLN HBx 1.0 1.8 5.30 691 490 A 47 LEU HDx% A 47 LEU HBx 1.0 1.8 4.16 692 491 A 47 LEU HDy% A 47 LEU HBx 1.0 1.8 4.07 693 492 A 47 LEU HBx A 48 SER H 1.0 1.8 4.49 694 493 A 47 LEU HBx A 51 GLN HBy 1.0 1.8 5.30 695 493 A 47 LEU HBx A 51 GLN HBx 1.0 1.8 5.30 696 494 A 47 LEU HDx% A 48 SER H 1.0 1.8 5.30 697 495 A 47 LEU HDx% A 51 GLN HBy 1.0 1.8 5.35 698 496 A 47 LEU HDx% A 51 GLN HBx 1.0 1.8 5.35 699 497 A 47 LEU HDx% A 52 VAL HA 1.0 1.8 5.37 700 498 A 47 LEU HDy% A 48 SER H 1.0 1.8 4.40 701 499 A 47 LEU HDy% A 51 GLN HBy 1.0 1.8 4.85 702 500 A 47 LEU HDy% A 51 GLN HBx 1.0 1.8 4.85 703 501 A 51 GLN HE2x A 47 LEU HDy% 1.0 1.8 4.33 704 501 A 51 GLN HE2y A 47 LEU HDy% 1.0 1.8 4.33 705 502 A 51 GLN HE2x A 47 LEU HDy% 1.0 1.8 5.24 706 503 A 51 GLN HE2y A 47 LEU HDy% 1.0 1.8 5.24 707 504 A 47 LEU HDy% A 51 GLN HGx 1.0 1.8 4.74 708 504 A 47 LEU HDy% A 51 GLN HGy 1.0 1.8 4.74 709 505 A 47 LEU HDx% A 47 LEU H 1.0 1.8 4.71 710 506 A 47 LEU HDy% A 47 LEU H 1.0 1.8 4.74 711 507 A 47 LEU H A 47 LEU HG 1.0 1.8 4.05 712 508 A 47 LEU H A 48 SER H 1.0 1.8 5.28 713 509 A 48 SER HA A 49 THR H 1.0 1.8 3.37 714 510 A 48 SER HA A 50 LEU H 1.0 1.8 4.99 715 511 A 49 THR H A 48 SER HBx 1.0 1.8 3.54 716 511 A 49 THR H A 48 SER HBy 1.0 1.8 3.54 717 512 A 50 LEU H A 48 SER HBx 1.0 1.8 4.23 718 512 A 50 LEU H A 48 SER HBy 1.0 1.8 4.23 719 513 A 51 GLN H A 48 SER HBx 1.0 1.8 5.03 720 513 A 48 SER HBy A 51 GLN H 1.0 1.8 5.03 721 514 A 48 SER H A 48 SER HBx 1.0 1.8 3.75 722 514 A 48 SER H A 48 SER HBy 1.0 1.8 3.75 723 515 A 48 SER H A 49 THR H 1.0 1.8 5.16 724 516 A 48 SER H A 51 GLN HBy 1.0 1.8 5.35 725 517 A 48 SER H A 51 GLN HBx 1.0 1.8 5.35 726 518 A 48 SER H A 51 GLN HGx 1.0 1.8 5.10 727 518 A 48 SER H A 51 GLN HGy 1.0 1.8 5.10 728 519 A 48 SER H A 51 GLN H 1.0 1.8 4.87 729 520 A 49 THR HG2% A 49 THR HA 1.0 1.8 3.90 730 521 A 52 VAL HB A 49 THR HA 1.0 1.8 4.48 731 522 A 52 VAL HGx% A 49 THR HA 1.0 1.8 4.79 732 523 A 52 VAL HGy% A 49 THR HA 1.0 1.8 5.01 733 524 A 49 THR HA A 52 VAL H 1.0 1.8 4.66 734 525 A 49 THR HB A 50 LEU H 1.0 1.8 4.73 735 526 A 49 THR HG2% A 50 LEU H 1.0 1.8 5.15 736 527 A 49 THR HB A 49 THR H 1.0 1.8 3.98 737 528 A 49 THR HG2% A 49 THR H 1.0 1.8 3.78 738 529 A 49 THR H A 50 LEU HBx 1.0 1.8 5.25 739 529 A 49 THR H A 50 LEU HBy 1.0 1.8 5.25 740 530 A 49 THR H A 50 LEU H 1.0 1.8 4.08 741 531 A 50 LEU HA A 53 CYS HBx 1.0 1.8 3.88 742 531 A 50 LEU HA A 53 CYS HBy 1.0 1.8 3.88 743 532 A 50 LEU HA A 53 CYS H 1.0 1.8 4.72 744 533 A 51 GLN H A 50 LEU HBx 1.0 1.8 3.76 745 533 A 51 GLN H A 50 LEU HBy 1.0 1.8 3.76 746 534 A 50 LEU HG A 54 ASN HD2x 1.0 1.8 4.52 747 534 A 50 LEU HG A 54 ASN HD2y 1.0 1.8 4.52 748 535 A 50 LEU H A 50 LEU HBx 1.0 1.8 3.30 749 535 A 50 LEU H A 50 LEU HBy 1.0 1.8 3.30 750 536 A 50 LEU H A 51 GLN H 1.0 1.8 3.83 751 537 A 51 GLN HE2x A 51 GLN HA 1.0 1.8 5.44 752 537 A 51 GLN HE2y A 51 GLN HA 1.0 1.8 5.44 753 538 A 51 GLN HA A 51 GLN HGx 1.0 1.8 3.87 754 538 A 51 GLN HGy A 51 GLN HA 1.0 1.8 3.87 755 539 A 51 GLN HA A 54 ASN HBy 1.0 1.8 5.54 756 540 A 51 GLN HA A 54 ASN HBx 1.0 1.8 5.54 757 541 A 51 GLN HA A 54 ASN HD2x 1.0 1.8 5.15 758 541 A 51 GLN HA A 54 ASN HD2y 1.0 1.8 5.15 759 542 A 51 GLN HA A 54 ASN H 1.0 1.8 4.43 760 543 A 51 GLN HE2x A 51 GLN HBx 1.0 1.8 4.77 761 543 A 51 GLN HE2y A 51 GLN HBx 1.0 1.8 4.77 762 543 A 51 GLN HE2x A 51 GLN HBy 1.0 1.8 4.77 763 543 A 51 GLN HE2y A 51 GLN HBy 1.0 1.8 4.77 764 544 A 51 GLN HE2x A 51 GLN HBx 1.0 1.8 5.50 765 544 A 51 GLN HE2x A 51 GLN HBy 1.0 1.8 5.50 766 545 A 51 GLN HBy A 52 VAL H 1.0 1.8 4.96 767 546 A 52 VAL H A 51 GLN HBx 1.0 1.8 4.96 768 547 A 51 GLN HE2x A 51 GLN HGy 1.0 1.8 3.45 769 547 A 51 GLN HE2y A 51 GLN HGx 1.0 1.8 3.45 770 547 A 51 GLN HE2y A 51 GLN HGy 1.0 1.8 3.45 771 547 A 51 GLN HE2x A 51 GLN HGx 1.0 1.8 3.45 772 548 A 51 GLN HE2x A 51 GLN HGx 1.0 1.8 4.07 773 548 A 51 GLN HE2x A 51 GLN HGy 1.0 1.8 4.07 774 549 A 51 GLN HE2y A 51 GLN HGx 1.0 1.8 4.07 775 549 A 51 GLN HE2y A 51 GLN HGy 1.0 1.8 4.07 776 550 A 52 VAL H A 51 GLN HGx 1.0 1.8 5.17 777 550 A 51 GLN HGy A 52 VAL H 1.0 1.8 5.17 778 551 A 51 GLN H A 51 GLN HGx 1.0 1.8 4.30 779 551 A 51 GLN HGy A 51 GLN H 1.0 1.8 4.30 780 552 A 51 GLN H A 52 VAL H 1.0 1.8 3.93 781 553 A 52 VAL HA A 52 VAL HGx% 1.0 1.8 3.82 782 554 A 52 VAL HA A 52 VAL HGy% 1.0 1.8 3.72 783 555 A 52 VAL HA A 55 TRP HBx 1.0 1.8 5.21 784 555 A 52 VAL HA A 55 TRP HBy 1.0 1.8 5.21 785 556 A 55 TRP H A 52 VAL HA 1.0 1.8 4.58 786 557 A 52 VAL HB A 53 CYS H 1.0 1.8 4.36 787 558 A 52 VAL HGx% A 53 CYS HBx 1.0 1.8 4.64 788 558 A 52 VAL HGx% A 53 CYS HBy 1.0 1.8 4.64 789 559 A 52 VAL HGx% A 53 CYS H 1.0 1.8 4.47 790 560 A 52 VAL HGx% A 54 ASN H 1.0 1.8 5.41 791 561 A 52 VAL HGx% A 56 PHE HD% 1.0 1.8 4.89 792 562 A 52 VAL HGy% A 53 CYS H 1.0 1.8 4.83 793 563 A 52 VAL HB A 52 VAL H 1.0 1.8 3.73 794 564 A 52 VAL HGx% A 52 VAL H 1.0 1.8 4.62 795 565 A 52 VAL HGy% A 52 VAL H 1.0 1.8 4.14 796 566 A 52 VAL H A 53 CYS H 1.0 1.8 3.79 797 567 A 53 CYS HA A 56 PHE HBx 1.0 1.8 4.39 798 567 A 53 CYS HA A 56 PHE HBy 1.0 1.8 4.39 799 568 A 56 PHE HD% A 53 CYS HA 1.0 1.8 5.26 800 569 A 53 CYS HA A 56 PHE H 1.0 1.8 5.25 801 570 A 54 ASN H A 53 CYS HBx 1.0 1.8 3.67 802 570 A 53 CYS HBy A 54 ASN H 1.0 1.8 3.67 803 571 A 57 ILE HD1% A 53 CYS HBx 1.0 1.8 5.16 804 571 A 53 CYS HBy A 57 ILE HD1% 1.0 1.8 5.16 805 572 A 53 CYS H A 53 CYS HBx 1.0 1.8 3.43 806 572 A 53 CYS HBy A 53 CYS H 1.0 1.8 3.43 807 573 A 53 CYS H A 54 ASN H 1.0 1.8 3.64 808 574 A 54 ASN HA A 54 ASN HD2x 1.0 1.8 4.80 809 574 A 54 ASN HA A 54 ASN HD2y 1.0 1.8 4.80 810 575 A 54 ASN HA A 54 ASN HD2x 1.0 1.8 5.46 811 576 A 54 ASN HA A 54 ASN HD2y 1.0 1.8 5.46 812 577 A 54 ASN HA A 57 ILE HB 1.0 1.8 4.08 813 578 A 57 ILE HD1% A 54 ASN HA 1.0 1.8 4.07 814 579 A 54 ASN HA A 57 ILE HG1x 1.0 1.8 4.94 815 579 A 54 ASN HA A 57 ILE HG1y 1.0 1.8 4.94 816 580 A 54 ASN HA A 57 ILE HG2% 1.0 1.8 5.06 817 581 A 54 ASN HA A 57 ILE H 1.0 1.8 4.73 818 582 A 54 ASN HA A 58 ASN H 1.0 1.8 5.13 819 583 A 54 ASN HD2y A 54 ASN HBy 1.0 1.8 3.92 820 583 A 54 ASN HD2x A 54 ASN HBy 1.0 1.8 3.92 821 583 A 54 ASN HD2y A 54 ASN HBx 1.0 1.8 3.92 822 583 A 54 ASN HD2x A 54 ASN HBx 1.0 1.8 3.92 823 584 A 55 TRP H A 54 ASN HBy 1.0 1.8 4.95 824 585 A 57 ILE HD1% A 54 ASN HBy 1.0 1.8 5.69 825 586 A 55 TRP H A 54 ASN HBx 1.0 1.8 4.95 826 587 A 57 ILE HD1% A 54 ASN HBx 1.0 1.8 5.69 827 588 A 57 ILE HD1% A 54 ASN HD2x 1.0 1.8 4.16 828 588 A 57 ILE HD1% A 54 ASN HD2y 1.0 1.8 4.16 829 589 A 57 ILE HD1% A 54 ASN HD2x 1.0 1.8 5.20 830 590 A 57 ILE HD1% A 54 ASN HD2y 1.0 1.8 5.20 831 591 A 54 ASN H A 54 ASN HBy 1.0 1.8 4.15 832 592 A 54 ASN H A 54 ASN HBx 1.0 1.8 4.15 833 593 A 54 ASN H A 54 ASN HD2x 1.0 1.8 5.24 834 593 A 54 ASN H A 54 ASN HD2y 1.0 1.8 5.24 835 594 A 55 TRP H A 54 ASN H 1.0 1.8 4.02 836 595 A 55 TRP HA A 58 ASN HBy 1.0 1.8 5.05 837 596 A 55 TRP HA A 58 ASN HBx 1.0 1.8 5.05 838 597 A 58 ASN H A 55 TRP HA 1.0 1.8 5.16 839 598 A 55 TRP HA A 59 ALA H 1.0 1.8 5.13 840 599 A 55 TRP HE1 A 55 TRP HBx 1.0 1.8 5.33 841 599 A 55 TRP HE1 A 55 TRP HBy 1.0 1.8 5.33 842 600 A 55 TRP HZ3 A 55 TRP HBx 1.0 1.8 5.59 843 600 A 55 TRP HZ3 A 55 TRP HBy 1.0 1.8 5.59 844 601 A 55 TRP HBy A 56 PHE H 1.0 1.8 5.16 845 602 A 56 PHE H A 55 TRP HBx 1.0 1.8 5.16 846 603 A 55 TRP HE3 A 56 PHE HA 1.0 1.8 4.36 847 604 A 55 TRP HE3 A 56 PHE H 1.0 1.8 4.86 848 605 A 55 TRP HE3 A 59 ALA HB% 1.0 1.8 4.79 849 606 A 55 TRP HH2 A 59 ALA HB% 1.0 1.8 5.06 850 607 A 55 TRP HH2 A 63 LEU HDx% 1.0 1.8 5.02 851 608 A 55 TRP H A 55 TRP HBy 1.0 1.8 3.86 852 609 A 55 TRP H A 55 TRP HBx 1.0 1.8 3.86 853 610 A 55 TRP H A 56 PHE H 1.0 1.8 3.71 854 611 A 55 TRP HZ2 A 59 ALA HB% 1.0 1.8 5.04 855 612 A 55 TRP HZ2 A 63 LEU HDx% 1.0 1.8 5.89 856 613 A 55 TRP HZ3 A 56 PHE HA 1.0 1.8 4.82 857 614 A 55 TRP HZ3 A 59 ALA HB% 1.0 1.8 5.15 858 615 A 56 PHE HA A 56 PHE HD% 1.0 1.8 4.46 859 616 A 59 ALA HB% A 56 PHE HA 1.0 1.8 3.84 860 617 A 56 PHE HA A 59 ALA H 1.0 1.8 4.95 861 618 A 57 ILE HG2% A 56 PHE HBx 1.0 1.8 5.59 862 618 A 56 PHE HBy A 57 ILE HG2% 1.0 1.8 5.59 863 619 A 57 ILE H A 56 PHE HBx 1.0 1.8 4.30 864 619 A 56 PHE HBy A 57 ILE H 1.0 1.8 4.30 865 620 A 56 PHE H A 56 PHE HBx 1.0 1.8 3.79 866 620 A 56 PHE HBy A 56 PHE H 1.0 1.8 3.79 867 621 A 56 PHE HD% A 56 PHE H 1.0 1.8 4.72 868 622 A 56 PHE H A 57 ILE H 1.0 1.8 4.28 869 623 A 57 ILE HA A 57 ILE HG1x 1.0 1.8 3.74 870 623 A 57 ILE HG1y A 57 ILE HA 1.0 1.8 3.74 871 624 A 57 ILE HG2% A 57 ILE HA 1.0 1.8 3.64 872 625 A 57 ILE HA A 60 ARG HBx 1.0 1.8 5.03 873 625 A 60 ARG HBy A 57 ILE HA 1.0 1.8 5.03 874 626 A 60 ARG HE A 57 ILE HA 1.0 1.8 5.09 875 627 A 60 ARG H A 57 ILE HA 1.0 1.8 5.33 876 628 A 57 ILE HB A 58 ASN H 1.0 1.8 3.86 877 629 A 57 ILE HG2% A 57 ILE HG1x 1.0 1.8 3.31 878 629 A 57 ILE HG1y A 57 ILE HG2% 1.0 1.8 3.31 879 630 A 57 ILE HG2% A 58 ASN HA 1.0 1.8 4.76 880 631 A 57 ILE HG2% A 58 ASN HBy 1.0 1.8 5.53 881 631 A 57 ILE HG2% A 58 ASN HBx 1.0 1.8 5.53 882 632 A 57 ILE HG2% A 58 ASN H 1.0 1.8 4.54 883 633 A 57 ILE HB A 57 ILE H 1.0 1.8 3.51 884 634 A 57 ILE HD1% A 57 ILE H 1.0 1.8 4.49 885 635 A 57 ILE H A 57 ILE HG1x 1.0 1.8 4.39 886 635 A 57 ILE HG1y A 57 ILE H 1.0 1.8 4.39 887 636 A 57 ILE H A 58 ASN H 1.0 1.8 4.13 888 637 A 58 ASN HA A 61 ARG HBx 1.0 1.8 5.58 889 637 A 58 ASN HA A 61 ARG HBy 1.0 1.8 5.58 890 638 A 58 ASN HA A 61 ARG H 1.0 1.8 4.63 891 639 A 58 ASN HBy A 58 ASN HD2y 1.0 1.8 3.48 892 639 A 58 ASN HBx A 58 ASN HD2y 1.0 1.8 3.48 893 639 A 58 ASN HD2x A 58 ASN HBy 1.0 1.8 3.48 894 639 A 58 ASN HBx A 58 ASN HD2x 1.0 1.8 3.48 895 640 A 59 ALA H A 58 ASN HBy 1.0 1.8 4.00 896 640 A 59 ALA H A 58 ASN HBx 1.0 1.8 4.00 897 641 A 59 ALA HA A 58 ASN HD2y 1.0 1.8 5.13 898 641 A 58 ASN HD2x A 59 ALA HA 1.0 1.8 5.13 899 642 A 58 ASN HD2y A 62 ARG HBy 1.0 1.8 4.74 900 642 A 58 ASN HD2x A 62 ARG HBy 1.0 1.8 4.74 901 642 A 62 ARG HBx A 58 ASN HD2y 1.0 1.8 4.74 902 642 A 58 ASN HD2x A 62 ARG HBx 1.0 1.8 4.74 903 643 A 58 ASN HD2y A 62 ARG HGx 1.0 1.8 5.70 904 643 A 58 ASN HD2x A 62 ARG HGx 1.0 1.8 5.70 905 643 A 62 ARG HGy A 58 ASN HD2y 1.0 1.8 5.70 906 643 A 58 ASN HD2x A 62 ARG HGy 1.0 1.8 5.70 907 644 A 58 ASN H A 58 ASN HBy 1.0 1.8 3.40 908 644 A 58 ASN H A 58 ASN HBx 1.0 1.8 3.40 909 645 A 58 ASN H A 59 ALA H 1.0 1.8 3.90 910 646 A 61 ARG H A 59 ALA HA 1.0 1.8 5.70 911 647 A 59 ALA HA A 62 ARG HBy 1.0 1.8 3.93 912 647 A 59 ALA HA A 62 ARG HBx 1.0 1.8 3.93 913 648 A 59 ALA HA A 62 ARG H 1.0 1.8 4.27 914 649 A 59 ALA HA A 63 LEU HBy 1.0 1.8 5.10 915 649 A 63 LEU HBx A 59 ALA HA 1.0 1.8 5.10 916 650 A 63 LEU HDx% A 59 ALA HA 1.0 1.8 4.46 917 651 A 63 LEU HG A 59 ALA HA 1.0 1.8 4.04 918 652 A 63 LEU H A 59 ALA HA 1.0 1.8 4.36 919 653 A 59 ALA HB% A 60 ARG H 1.0 1.8 4.22 920 654 A 59 ALA HB% A 62 ARG H 1.0 1.8 5.48 921 655 A 63 LEU HDx% A 59 ALA HB% 1.0 1.8 3.90 922 656 A 63 LEU HDy% A 59 ALA HB% 1.0 1.8 4.82 923 657 A 59 ALA HB% A 63 LEU HG 1.0 1.8 4.47 924 658 A 59 ALA HB% A 63 LEU H 1.0 1.8 5.19 925 659 A 60 ARG H A 59 ALA H 1.0 1.8 4.27 926 660 A 60 ARG HA A 60 ARG HGx 1.0 1.8 3.70 927 660 A 60 ARG HA A 60 ARG HGy 1.0 1.8 3.70 928 661 A 60 ARG HA A 64 LEU HBy 1.0 1.8 5.04 929 661 A 60 ARG HA A 64 LEU HBx 1.0 1.8 5.04 930 662 A 60 ARG HA A 64 LEU H 1.0 1.8 4.50 931 663 A 60 ARG HE A 60 ARG HBx 1.0 1.8 4.96 932 663 A 60 ARG HBy A 60 ARG HE 1.0 1.8 4.96 933 664 A 61 ARG H A 60 ARG HBx 1.0 1.8 4.30 934 664 A 60 ARG HBy A 61 ARG H 1.0 1.8 4.30 935 665 A 64 LEU HDx% A 60 ARG HBx 1.0 1.8 5.40 936 665 A 60 ARG HBy A 64 LEU HDx% 1.0 1.8 5.40 937 666 A 64 LEU HDx% A 60 ARG HDx 1.0 1.8 5.03 938 666 A 64 LEU HDx% A 60 ARG HDy 1.0 1.8 5.03 939 667 A 64 LEU HDy% A 60 ARG HDx 1.0 1.8 4.83 940 667 A 60 ARG HDy A 64 LEU HDy% 1.0 1.8 4.83 941 668 A 64 LEU HDx% A 60 ARG HGx 1.0 1.8 3.72 942 668 A 64 LEU HDx% A 60 ARG HGy 1.0 1.8 3.72 943 669 A 64 LEU HDy% A 60 ARG HGx 1.0 1.8 4.31 944 669 A 64 LEU HDy% A 60 ARG HGy 1.0 1.8 4.31 945 670 A 60 ARG H A 60 ARG HGx 1.0 1.8 4.49 946 670 A 60 ARG H A 60 ARG HGy 1.0 1.8 4.49 947 671 A 60 ARG H A 61 ARG H 1.0 1.8 3.96 948 672 A 61 ARG HA A 61 ARG HGx 1.0 1.8 3.89 949 672 A 61 ARG HA A 61 ARG HGy 1.0 1.8 3.89 950 673 A 61 ARG HA A 65 PRO HDx 1.0 1.8 4.48 951 673 A 61 ARG HA A 65 PRO HDy 1.0 1.8 4.48 952 674 A 61 ARG HE A 61 ARG HBx 1.0 1.8 5.17 953 674 A 61 ARG HBy A 61 ARG HE 1.0 1.8 5.17 954 675 A 62 ARG H A 61 ARG HBx 1.0 1.8 4.31 955 675 A 61 ARG HBy A 62 ARG H 1.0 1.8 4.31 956 676 A 61 ARG HE A 61 ARG HGx 1.0 1.8 4.04 957 676 A 61 ARG HGy A 61 ARG HE 1.0 1.8 4.04 958 677 A 62 ARG H A 61 ARG HGx 1.0 1.8 5.38 959 677 A 62 ARG H A 61 ARG HGy 1.0 1.8 5.38 960 678 A 61 ARG H A 61 ARG HBx 1.0 1.8 3.40 961 678 A 61 ARG HBy A 61 ARG H 1.0 1.8 3.40 962 679 A 61 ARG H A 61 ARG HGx 1.0 1.8 4.26 963 679 A 61 ARG H A 61 ARG HGy 1.0 1.8 4.26 964 680 A 61 ARG H A 62 ARG H 1.0 1.8 3.56 965 681 A 62 ARG HA A 62 ARG HDx 1.0 1.8 4.51 966 681 A 62 ARG HA A 62 ARG HDy 1.0 1.8 4.51 967 682 A 62 ARG HA A 62 ARG HGx 1.0 1.8 3.84 968 682 A 62 ARG HGy A 62 ARG HA 1.0 1.8 3.84 969 683 A 62 ARG HA A 65 PRO HDx 1.0 1.8 5.03 970 683 A 65 PRO HDy A 62 ARG HA 1.0 1.8 5.03 971 684 A 63 LEU HDy% A 62 ARG HBy 1.0 1.8 4.81 972 684 A 63 LEU HDy% A 62 ARG HBx 1.0 1.8 4.81 973 685 A 63 LEU H A 62 ARG HBy 1.0 1.8 4.20 974 685 A 63 LEU H A 62 ARG HBx 1.0 1.8 4.20 975 686 A 62 ARG HDy A 62 ARG HBy 1.0 1.8 4.62 976 686 A 62 ARG HBy A 62 ARG HDx 1.0 1.8 4.62 977 687 A 62 ARG HBx A 62 ARG HDy 1.0 1.8 4.62 978 687 A 62 ARG HBx A 62 ARG HDx 1.0 1.8 4.62 979 688 A 62 ARG H A 62 ARG HBy 1.0 1.8 3.40 980 688 A 62 ARG HBx A 62 ARG H 1.0 1.8 3.40 981 689 A 62 ARG H A 62 ARG HGx 1.0 1.8 4.83 982 689 A 62 ARG HGy A 62 ARG H 1.0 1.8 4.83 983 690 A 63 LEU H A 62 ARG H 1.0 1.8 3.71 984 691 A 63 LEU HDy% A 63 LEU HA 1.0 1.8 3.13 985 692 A 63 LEU HA A 66 ASP HBx 1.0 1.8 5.02 986 692 A 63 LEU HA A 66 ASP HBy 1.0 1.8 5.02 987 693 A 63 LEU HA A 66 ASP H 1.0 1.8 5.24 988 694 A 63 LEU HA A 67 MET H 1.0 1.8 5.29 989 695 A 63 LEU HDy% A 63 LEU HBy 1.0 1.8 3.59 990 695 A 63 LEU HDy% A 63 LEU HBx 1.0 1.8 3.59 991 696 A 63 LEU HDx% A 63 LEU HBy 1.0 1.8 3.85 992 697 A 64 LEU H A 63 LEU HBy 1.0 1.8 4.31 993 698 A 63 LEU HDx% A 63 LEU HBx 1.0 1.8 3.85 994 699 A 63 LEU HBx A 64 LEU H 1.0 1.8 4.31 995 700 A 63 LEU H A 63 LEU HBy 1.0 1.8 3.87 996 700 A 63 LEU HBx A 63 LEU H 1.0 1.8 3.87 997 701 A 63 LEU HDx% A 63 LEU H 1.0 1.8 4.88 998 702 A 63 LEU HDy% A 63 LEU H 1.0 1.8 4.66 999 703 A 63 LEU HG A 63 LEU H 1.0 1.8 3.85 1000 704 A 63 LEU H A 64 LEU H 1.0 1.8 3.52 1001 705 A 63 LEU H A 65 PRO HDx 1.0 1.8 4.57 1002 705 A 63 LEU H A 65 PRO HDy 1.0 1.8 4.57 1003 706 A 64 LEU HDx% A 64 LEU HA 1.0 1.8 3.62 1004 707 A 64 LEU HDy% A 64 LEU HA 1.0 1.8 4.96 1005 708 A 67 MET H A 64 LEU HA 1.0 1.8 4.81 1006 709 A 64 LEU HA A 68 LEU HDx% 1.0 1.8 4.85 1007 710 A 64 LEU HA A 68 LEU H 1.0 1.8 5.53 1008 711 A 64 LEU HBy A 65 PRO HDx 1.0 1.8 4.28 1009 711 A 64 LEU HBx A 65 PRO HDx 1.0 1.8 4.28 1010 712 A 64 LEU HBx A 65 PRO HDy 1.0 1.8 4.28 1011 712 A 65 PRO HDy A 64 LEU HBy 1.0 1.8 4.28 1012 713 A 68 LEU HDx% A 64 LEU HBy 1.0 1.8 5.56 1013 713 A 64 LEU HBx A 68 LEU HDx% 1.0 1.8 5.56 1014 714 A 64 LEU HDx% A 64 LEU HBy 1.0 1.8 4.60 1015 715 A 64 LEU HDy% A 64 LEU HBy 1.0 1.8 3.82 1016 716 A 65 PRO HDy A 64 LEU HBy 1.0 1.8 4.39 1017 716 A 64 LEU HBy A 65 PRO HDx 1.0 1.8 4.39 1018 717 A 64 LEU HDx% A 64 LEU HBx 1.0 1.8 4.60 1019 718 A 64 LEU HDy% A 64 LEU HBx 1.0 1.8 3.82 1020 719 A 64 LEU HBx A 65 PRO HDy 1.0 1.8 4.39 1021 719 A 64 LEU HBx A 65 PRO HDx 1.0 1.8 4.39 1022 720 A 64 LEU HDx% A 67 MET HBy 1.0 1.8 5.13 1023 720 A 64 LEU HDx% A 67 MET HBx 1.0 1.8 5.13 1024 721 A 64 LEU HDx% A 68 LEU HDx% 1.0 1.8 4.76 1025 722 A 64 LEU HDx% A 68 LEU HDy% 1.0 1.8 5.37 1026 723 A 64 LEU HDy% A 65 PRO HDx 1.0 1.8 4.96 1027 723 A 64 LEU HDy% A 65 PRO HDy 1.0 1.8 4.96 1028 724 A 64 LEU HDy% A 68 LEU HDx% 1.0 1.8 5.09 1029 725 A 64 LEU H A 64 LEU HBy 1.0 1.8 3.96 1030 726 A 64 LEU H A 64 LEU HBx 1.0 1.8 3.96 1031 727 A 64 LEU H A 64 LEU HDx% 1.0 1.8 4.96 1032 728 A 64 LEU H A 64 LEU HDy% 1.0 1.8 4.38 1033 729 A 64 LEU H A 65 PRO HDx 1.0 1.8 4.30 1034 730 A 64 LEU H A 65 PRO HDy 1.0 1.8 4.30 1035 731 A 65 PRO HA A 68 LEU HBy 1.0 1.8 4.39 1036 731 A 65 PRO HA A 68 LEU HBx 1.0 1.8 4.39 1037 732 A 68 LEU HDx% A 65 PRO HA 1.0 1.8 4.37 1038 733 A 65 PRO HA A 69 ARG HBx 1.0 1.8 5.36 1039 733 A 65 PRO HA A 69 ARG HBy 1.0 1.8 5.36 1040 734 A 65 PRO HA A 69 ARG H 1.0 1.8 4.83 1041 735 A 66 ASP H A 65 PRO HBy 1.0 1.8 3.94 1042 735 A 66 ASP H A 65 PRO HBx 1.0 1.8 3.94 1043 736 A 66 ASP H A 65 PRO HDx 1.0 1.8 4.30 1044 736 A 65 PRO HDy A 66 ASP H 1.0 1.8 4.30 1045 737 A 66 ASP H A 65 PRO HGy 1.0 1.8 4.96 1046 738 A 66 ASP H A 65 PRO HGx 1.0 1.8 4.96 1047 739 A 66 ASP HA A 69 ARG HBx 1.0 1.8 4.31 1048 739 A 69 ARG HBy A 66 ASP HA 1.0 1.8 4.31 1049 740 A 69 ARG H A 66 ASP HA 1.0 1.8 4.79 1050 741 A 66 ASP HBy A 67 MET H 1.0 1.8 4.27 1051 742 A 67 MET H A 66 ASP HBx 1.0 1.8 4.27 1052 743 A 66 ASP H A 66 ASP HBx 1.0 1.8 3.32 1053 743 A 66 ASP HBy A 66 ASP H 1.0 1.8 3.32 1054 744 A 66 ASP H A 67 MET H 1.0 1.8 3.50 1055 745 A 67 MET HA A 67 MET HGx 1.0 1.8 3.86 1056 745 A 67 MET HA A 67 MET HGy 1.0 1.8 3.86 1057 746 A 67 MET HA A 70 LYS HBx 1.0 1.8 3.85 1058 746 A 67 MET HA A 70 LYS HBy 1.0 1.8 3.85 1059 747 A 68 LEU HDy% A 67 MET HBy 1.0 1.8 5.07 1060 747 A 68 LEU HDy% A 67 MET HBx 1.0 1.8 5.07 1061 748 A 68 LEU HG A 67 MET HBy 1.0 1.8 4.99 1062 748 A 67 MET HBx A 68 LEU HG 1.0 1.8 4.99 1063 749 A 69 ARG H A 67 MET HBy 1.0 1.8 5.72 1064 749 A 67 MET HBx A 69 ARG H 1.0 1.8 5.72 1065 750 A 68 LEU H A 67 MET HBy 1.0 1.8 5.09 1066 751 A 68 LEU H A 67 MET HBx 1.0 1.8 5.09 1067 752 A 67 MET H A 67 MET HBy 1.0 1.8 4.29 1068 753 A 67 MET H A 67 MET HBx 1.0 1.8 4.29 1069 754 A 67 MET H A 67 MET HGx 1.0 1.8 4.09 1070 754 A 67 MET H A 67 MET HGy 1.0 1.8 4.09 1071 755 A 67 MET H A 68 LEU H 1.0 1.8 3.74 1072 756 A 68 LEU HDx% A 68 LEU HA 1.0 1.8 5.09 1073 757 A 68 LEU HDy% A 68 LEU HA 1.0 1.8 3.69 1074 758 A 68 LEU HA A 71 ASP HBx 1.0 1.8 5.60 1075 758 A 68 LEU HA A 71 ASP HBy 1.0 1.8 5.60 1076 759 A 68 LEU HA A 71 ASP H 1.0 1.8 5.12 1077 760 A 68 LEU HA A 72 GLY H 1.0 1.8 5.18 1078 761 A 68 LEU HA A 73 LYS H 1.0 1.8 5.20 1079 762 A 69 ARG H A 68 LEU HBy 1.0 1.8 3.97 1080 762 A 68 LEU HBx A 69 ARG H 1.0 1.8 3.97 1081 763 A 68 LEU HDx% A 68 LEU HBy 1.0 1.8 3.89 1082 764 A 68 LEU HDy% A 68 LEU HBy 1.0 1.8 4.55 1083 765 A 68 LEU HDx% A 68 LEU HBx 1.0 1.8 3.89 1084 766 A 68 LEU HDy% A 68 LEU HBx 1.0 1.8 4.55 1085 767 A 69 ARG H A 68 LEU HG 1.0 1.8 5.38 1086 768 A 68 LEU H A 68 LEU HBy 1.0 1.8 3.78 1087 768 A 68 LEU H A 68 LEU HBx 1.0 1.8 3.78 1088 769 A 68 LEU HDx% A 68 LEU H 1.0 1.8 4.95 1089 770 A 68 LEU HDy% A 68 LEU H 1.0 1.8 4.84 1090 771 A 68 LEU H A 68 LEU HG 1.0 1.8 4.10 1091 772 A 69 ARG HA A 69 ARG HDx 1.0 1.8 4.75 1092 772 A 69 ARG HA A 69 ARG HDy 1.0 1.8 4.75 1093 773 A 72 GLY H A 69 ARG HA 1.0 1.8 4.60 1094 774 A 69 ARG HE A 69 ARG HBx 1.0 1.8 5.13 1095 774 A 69 ARG HBy A 69 ARG HE 1.0 1.8 5.13 1096 775 A 70 LYS H A 69 ARG HBx 1.0 1.8 3.83 1097 775 A 69 ARG HBy A 70 LYS H 1.0 1.8 3.83 1098 776 A 70 LYS H A 69 ARG HGx 1.0 1.8 4.62 1099 776 A 70 LYS H A 69 ARG HGy 1.0 1.8 4.62 1100 777 A 69 ARG H A 69 ARG HBx 1.0 1.8 3.56 1101 777 A 69 ARG HBy A 69 ARG H 1.0 1.8 3.56 1102 778 A 69 ARG H A 69 ARG HDx 1.0 1.8 5.40 1103 778 A 69 ARG H A 69 ARG HDy 1.0 1.8 5.40 1104 779 A 69 ARG H A 69 ARG HGx 1.0 1.8 4.57 1105 779 A 69 ARG H A 69 ARG HGy 1.0 1.8 4.57 1106 780 A 69 ARG H A 70 LYS H 1.0 1.8 3.58 1107 781 A 70 LYS HA A 70 LYS HDx 1.0 1.8 4.82 1108 781 A 70 LYS HA A 70 LYS HDy 1.0 1.8 4.82 1109 782 A 70 LYS HBx A 70 LYS HDx 1.0 1.8 3.42 1110 782 A 70 LYS HBy A 70 LYS HDx 1.0 1.8 3.42 1111 782 A 70 LYS HDy A 70 LYS HBx 1.0 1.8 3.42 1112 782 A 70 LYS HBy A 70 LYS HDy 1.0 1.8 3.42 1113 783 A 70 LYS HBy A 71 ASP HBx 1.0 1.8 4.94 1114 783 A 70 LYS HBx A 71 ASP HBx 1.0 1.8 4.94 1115 783 A 71 ASP HBy A 70 LYS HBx 1.0 1.8 4.94 1116 783 A 70 LYS HBy A 71 ASP HBy 1.0 1.8 4.94 1117 784 A 71 ASP H A 70 LYS HBx 1.0 1.8 4.25 1118 784 A 70 LYS HBy A 71 ASP H 1.0 1.8 4.25 1119 785 A 70 LYS H A 70 LYS HBx 1.0 1.8 3.44 1120 785 A 70 LYS HBy A 70 LYS H 1.0 1.8 3.44 1121 786 A 70 LYS H A 70 LYS HGx 1.0 1.8 4.53 1122 786 A 70 LYS H A 70 LYS HGy 1.0 1.8 4.53 1123 787 A 71 ASP H A 70 LYS H 1.0 1.8 3.54 1124 788 A 72 GLY H A 71 ASP HA 1.0 1.8 3.88 1125 789 A 72 GLY H A 71 ASP HBx 1.0 1.8 4.36 1126 789 A 71 ASP HBy A 72 GLY H 1.0 1.8 4.36 1127 790 A 71 ASP H A 71 ASP HBx 1.0 1.8 3.89 1128 790 A 71 ASP HBy A 71 ASP H 1.0 1.8 3.89 1129 791 A 71 ASP H A 72 GLY H 1.0 1.8 3.64 1130 792 A 73 LYS H A 72 GLY HAx 1.0 1.8 3.50 1131 792 A 73 LYS H A 72 GLY HAy 1.0 1.8 3.50 1132 793 A 72 GLY H A 73 LYS H 1.0 1.8 4.16 1133 794 A 73 LYS HA A 73 LYS HDx 1.0 1.8 4.57 1134 794 A 73 LYS HA A 73 LYS HDy 1.0 1.8 4.57 1135 795 A 73 LYS HA A 74 ASP H 1.0 1.8 3.93 1136 796 A 73 LYS HBx A 73 LYS HDx 1.0 1.8 2.61 1137 796 A 73 LYS HDy A 73 LYS HBx 1.0 1.8 2.61 1138 796 A 73 LYS HDy A 73 LYS HBy 1.0 1.8 2.61 1139 796 A 73 LYS HBy A 73 LYS HDx 1.0 1.8 2.61 1140 797 A 74 ASP H A 73 LYS HBx 1.0 1.8 4.21 1141 797 A 74 ASP H A 73 LYS HBy 1.0 1.8 4.21 1142 798 A 73 LYS H A 73 LYS HBx 1.0 1.8 3.55 1143 798 A 73 LYS H A 73 LYS HBy 1.0 1.8 3.55 1144 799 A 73 LYS H A 73 LYS HDx 1.0 1.8 5.39 1145 799 A 73 LYS H A 73 LYS HDy 1.0 1.8 5.39 1146 800 A 73 LYS H A 73 LYS HGx 1.0 1.8 4.47 1147 800 A 73 LYS H A 73 LYS HGy 1.0 1.8 4.47 1148 801 A 73 LYS H A 74 ASP H 1.0 1.8 5.00 1149 802 A 74 ASP HA A 75 PRO HDy 1.0 1.8 3.75 1150 802 A 74 ASP HA A 75 PRO HDx 1.0 1.8 3.75 1151 803 A 74 ASP HBy A 75 PRO HDy 1.0 1.8 4.80 1152 803 A 74 ASP HBx A 75 PRO HDy 1.0 1.8 4.80 1153 803 A 75 PRO HDx A 74 ASP HBx 1.0 1.8 4.80 1154 803 A 75 PRO HDx A 74 ASP HBy 1.0 1.8 4.80 1155 804 A 74 ASP H A 74 ASP HBx 1.0 1.8 3.34 1156 804 A 74 ASP H A 74 ASP HBy 1.0 1.8 3.34 1157 805 A 76 ASN H A 75 PRO HGx 1.0 1.8 5.00 1158 805 A 75 PRO HGy A 76 ASN H 1.0 1.8 5.00 1159 806 A 76 ASN HA A 76 ASN HD2y 1.0 1.8 5.26 1160 806 A 76 ASN HA A 76 ASN HD2x 1.0 1.8 5.26 1161 807 A 76 ASN HA A 77 GLN H 1.0 1.8 3.92 1162 808 A 77 GLN H A 76 ASN HBx 1.0 1.8 4.31 1163 808 A 77 GLN H A 76 ASN HBy 1.0 1.8 4.31 1164 809 A 76 ASN H A 76 ASN HBx 1.0 1.8 3.33 1165 809 A 76 ASN H A 76 ASN HBy 1.0 1.8 3.33 1166 810 A 76 ASN H A 77 GLN H 1.0 1.8 4.39 1167 811 A 78 PHE H A 77 GLN HBx 1.0 1.8 4.39 1168 811 A 77 GLN HBy A 78 PHE H 1.0 1.8 4.39 1169 812 A 78 PHE H A 77 GLN HGx 1.0 1.8 5.35 1170 812 A 78 PHE H A 77 GLN HGy 1.0 1.8 5.35 1171 813 A 77 GLN H A 77 GLN HBx 1.0 1.8 3.59 1172 813 A 77 GLN H A 77 GLN HBy 1.0 1.8 3.59 1173 814 A 78 PHE HA A 78 PHE HD% 1.0 1.8 4.69 1174 815 A 79 THR H A 78 PHE HBx 1.0 1.8 4.49 1175 815 A 78 PHE HBy A 79 THR H 1.0 1.8 4.49 1176 816 A 78 PHE H A 78 PHE HBx 1.0 1.8 3.49 1177 816 A 78 PHE H A 78 PHE HBy 1.0 1.8 3.49 1178 817 A 78 PHE H A 78 PHE HD% 1.0 1.8 4.62 1179 818 A 78 PHE H A 79 THR H 1.0 1.8 4.60 1180 819 A 79 THR HA A 79 THR HG2% 1.0 1.8 4.19 1181 820 A 79 THR HA A 80 ILE H 1.0 1.8 3.40 1182 821 A 80 ILE H A 79 THR HB 1.0 1.8 4.88 1183 822 A 79 THR H A 79 THR HG2% 1.0 1.8 4.37 1184 823 A 79 THR H A 80 ILE H 1.0 1.8 4.62 1185 824 A 80 ILE HA A 81 SER H 1.0 1.8 3.68 1186 825 A 81 SER H A 80 ILE HB 1.0 1.8 4.68 1187 826 A 80 ILE HG2% A 80 ILE HD1% 1.0 1.8 3.10 1188 827 A 81 SER H A 80 ILE HG2% 1.0 1.8 4.47 1189 828 A 80 ILE H A 80 ILE HB 1.0 1.8 4.28 1190 829 A 80 ILE H A 80 ILE HG1x 1.0 1.8 4.27 1191 829 A 80 ILE H A 80 ILE HG1y 1.0 1.8 4.27 1192 830 A 80 ILE H A 80 ILE HG2% 1.0 1.8 4.38 1193 831 A 80 ILE H A 81 SER H 1.0 1.8 4.98 1194 832 A 81 SER HA A 82 ARG H 1.0 1.8 3.55 1195 833 A 82 ARG H A 81 SER HBx 1.0 1.8 4.30 1196 833 A 82 ARG H A 81 SER HBy 1.0 1.8 4.30 1197 834 A 82 ARG HA A 82 ARG HDx 1.0 1.8 5.29 1198 834 A 82 ARG HA A 82 ARG HDy 1.0 1.8 5.29 1199 835 A 82 ARG HA A 83 ARG H 1.0 1.8 3.62 1200 836 A 83 ARG H A 82 ARG HBx 1.0 1.8 4.55 1201 836 A 83 ARG H A 82 ARG HBy 1.0 1.8 4.55 1202 837 A 83 ARG H A 82 ARG HGx 1.0 1.8 5.08 1203 837 A 83 ARG H A 82 ARG HGy 1.0 1.8 5.08 1204 838 A 82 ARG H A 82 ARG HBx 1.0 1.8 3.66 1205 838 A 82 ARG H A 82 ARG HBy 1.0 1.8 3.66 1206 839 A 82 ARG H A 82 ARG HGx 1.0 1.8 4.63 1207 839 A 82 ARG H A 82 ARG HGy 1.0 1.8 4.63 1208 840 A 83 ARG HA A 83 ARG HDy 1.0 1.8 4.99 1209 840 A 83 ARG HA A 83 ARG HDx 1.0 1.8 4.99 1210 841 A 83 ARG HA A 84 GLY H 1.0 1.8 3.49 1211 842 A 84 GLY H A 83 ARG HBx 1.0 1.8 4.13 1212 842 A 84 GLY H A 83 ARG HBy 1.0 1.8 4.13 1213 843 A 84 GLY H A 83 ARG HGx 1.0 1.8 5.20 1214 843 A 84 GLY H A 83 ARG HGy 1.0 1.8 5.20 1215 844 A 83 ARG H A 83 ARG HBx 1.0 1.8 3.77 1216 844 A 83 ARG H A 83 ARG HBy 1.0 1.8 3.77 1217 845 A 83 ARG H A 83 ARG HGx 1.0 1.8 5.38 1218 845 A 83 ARG H A 83 ARG HGy 1.0 1.8 5.38 1219 846 A 85 ALA H A 84 GLY HAx 1.0 1.8 3.38 1220 846 A 84 GLY HAy A 85 ALA H 1.0 1.8 3.38 1221 847 A 84 GLY H A 85 ALA H 1.0 1.8 4.47 1222 848 A 85 ALA HA A 86 LYS H 1.0 1.8 3.36 1223 849 A 85 ALA HB% A 86 LYS HA 1.0 1.8 5.05 1224 850 A 86 LYS H A 85 ALA HB% 1.0 1.8 4.40 1225 851 A 85 ALA H A 85 ALA HB% 1.0 1.8 3.33 1226 852 A 86 LYS HA A 87 ILE H 1.0 1.8 3.28 1227 853 A 87 ILE H A 86 LYS HBx 1.0 1.8 4.30 1228 853 A 87 ILE H A 86 LYS HBy 1.0 1.8 4.30 1229 854 A 87 ILE H A 86 LYS HGx 1.0 1.8 4.65 1230 854 A 87 ILE H A 86 LYS HGy 1.0 1.8 4.65 1231 855 A 86 LYS H A 86 LYS HBx 1.0 1.8 3.60 1232 855 A 86 LYS H A 86 LYS HBy 1.0 1.8 3.60 1233 856 A 86 LYS H A 86 LYS HGx 1.0 1.8 4.18 1234 856 A 86 LYS H A 86 LYS HGy 1.0 1.8 4.18 1235 857 A 87 ILE HA A 88 SER H 1.0 1.8 3.63 1236 858 A 88 SER H A 87 ILE HB 1.0 1.8 5.10 1237 859 A 87 ILE HG2% A 87 ILE HD1% 1.0 1.8 3.45 1238 860 A 88 SER H A 87 ILE HG2% 1.0 1.8 5.10 1239 861 A 87 ILE H A 87 ILE HB 1.0 1.8 3.99 1240 862 A 87 ILE H A 87 ILE HG1x 1.0 1.8 5.24 1241 862 A 87 ILE H A 87 ILE HG1y 1.0 1.8 5.24 1242 863 A 87 ILE H A 87 ILE HG2% 1.0 1.8 4.60 1243 864 A 88 SER HA A 89 GLU H 1.0 1.8 3.56 1244 865 A 89 GLU H A 88 SER HBx 1.0 1.8 4.30 1245 865 A 89 GLU H A 88 SER HBy 1.0 1.8 4.30 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 VAL H A 13 PRO O 1.0 1.7 2.3 2 2 A 13 PRO O A 17 VAL N 1.0 2.7 3.3 3 3 A 18 GLN H A 14 LYS O 1.0 1.7 2.3 4 4 A 14 LYS O A 18 GLN N 1.0 2.7 3.3 5 5 A 19 ILE H A 15 GLU O 1.0 1.7 2.3 6 6 A 15 GLU O A 19 ILE N 1.0 2.7 3.3 7 7 A 20 LEU H A 16 SER O 1.0 1.7 2.3 8 8 A 16 SER O A 20 LEU N 1.0 2.7 3.3 9 9 A 21 ARG H A 17 VAL O 1.0 1.7 2.3 10 10 A 17 VAL O A 21 ARG N 1.0 2.7 3.3 11 11 A 22 ASP H A 18 GLN O 1.0 1.7 2.3 12 12 A 18 GLN O A 22 ASP N 1.0 2.7 3.3 13 13 A 23 TRP H A 19 ILE O 1.0 1.7 2.3 14 14 A 19 ILE O A 23 TRP N 1.0 2.7 3.3 15 15 A 25 TYR H A 21 ARG O 1.0 1.7 2.3 16 16 A 21 ARG O A 25 TYR N 1.0 2.7 3.3 17 17 A 26 GLU H A 22 ASP O 1.0 1.7 2.3 18 18 A 22 ASP O A 26 GLU N 1.0 2.7 3.3 19 19 A 27 HIS H A 23 TRP O 1.0 1.7 2.3 20 20 A 23 TRP O A 27 HIS N 1.0 2.7 3.3 21 21 A 38 LYS H A 34 SER O 1.0 1.7 2.3 22 22 A 34 SER O A 38 LYS N 1.0 2.7 3.3 23 23 A 39 ALA H A 35 GLU O 1.0 1.7 2.3 24 24 A 35 GLU O A 39 ALA N 1.0 2.7 3.3 25 25 A 40 LEU H A 36 GLN O 1.0 1.7 2.3 26 26 A 36 GLN O A 40 LEU N 1.0 2.7 3.3 27 27 A 41 LEU H A 37 GLU O 1.0 1.7 2.3 28 28 A 37 GLU O A 41 LEU N 1.0 2.7 3.3 29 29 A 42 SER H A 38 LYS O 1.0 1.7 2.3 30 30 A 38 LYS O A 42 SER N 1.0 2.7 3.3 31 31 A 43 GLN H A 39 ALA O 1.0 1.7 2.3 32 32 A 39 ALA O A 43 GLN N 1.0 2.7 3.3 33 33 A 44 GLN H A 40 LEU O 1.0 1.7 2.3 34 34 A 40 LEU O A 44 GLN N 1.0 2.7 3.3 35 35 A 52 VAL H A 48 SER O 1.0 1.7 2.3 36 36 A 48 SER O A 52 VAL N 1.0 2.7 3.3 37 37 A 53 CYS H A 49 THR O 1.0 1.7 2.3 38 38 A 49 THR O A 53 CYS N 1.0 2.7 3.3 39 39 A 54 ASN H A 50 LEU O 1.0 1.7 2.3 40 40 A 50 LEU O A 54 ASN N 1.0 2.7 3.3 41 41 A 55 TRP H A 51 GLN O 1.0 1.7 2.3 42 42 A 51 GLN O A 55 TRP N 1.0 2.7 3.3 43 43 A 56 PHE H A 52 VAL O 1.0 1.7 2.3 44 44 A 52 VAL O A 56 PHE N 1.0 2.7 3.3 45 45 A 57 ILE H A 53 CYS O 1.0 1.7 2.3 46 46 A 53 CYS O A 57 ILE N 1.0 2.7 3.3 47 47 A 58 ASN H A 54 ASN O 1.0 1.7 2.3 48 48 A 54 ASN O A 58 ASN N 1.0 2.7 3.3 49 49 A 59 ALA H A 55 TRP O 1.0 1.7 2.3 50 50 A 55 TRP O A 59 ALA N 1.0 2.7 3.3 51 51 A 60 ARG H A 56 PHE O 1.0 1.7 2.3 52 52 A 56 PHE O A 60 ARG N 1.0 2.7 3.3 53 53 A 61 ARG H A 57 ILE O 1.0 1.7 2.3 54 54 A 57 ILE O A 61 ARG N 1.0 2.7 3.3 55 55 A 62 ARG H A 58 ASN O 1.0 1.7 2.3 56 56 A 58 ASN O A 62 ARG N 1.0 2.7 3.3 57 57 A 63 LEU H A 59 ALA O 1.0 1.7 2.3 58 58 A 59 ALA O A 63 LEU N 1.0 2.7 3.3 59 59 A 64 LEU H A 60 ARG O 1.0 1.7 2.3 60 60 A 60 ARG O A 64 LEU N 1.0 2.7 3.3 61 61 A 67 MET H A 63 LEU O 1.0 1.7 2.3 62 62 A 63 LEU O A 67 MET N 1.0 2.7 3.3 63 63 A 68 LEU H A 64 LEU O 1.0 1.7 2.3 64 64 A 64 LEU O A 68 LEU N 1.0 2.7 3.3 65 65 A 69 ARG H A 65 PRO O 1.0 1.7 2.3 66 66 A 65 PRO O A 69 ARG N 1.0 2.7 3.3 67 67 A 70 LYS H A 66 ASP O 1.0 1.7 2.3 68 68 A 66 ASP O A 70 LYS N 1.0 2.7 3.3 69 69 A 71 ASP H A 67 MET O 1.0 1.7 2.3 70 70 A 67 MET O A 71 ASP N 1.0 2.7 3.3 71 71 A 72 GLY H A 68 LEU O 1.0 1.7 2.3 72 72 A 68 LEU O A 72 GLY N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 11 MET C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -112.9 -53.3 PHI 2 2 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 PRO N 1.0 107.6 172.0 PSI 3 3 A 12 LEU C A 13 PRO N A 13 PRO CA A 13 PRO C 1.0 -78.8 -38.8 PHI 4 4 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 LYS N 1.0 125.0 165.0 PSI 5 5 A 13 PRO C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -71.4 -31.4 PHI 6 6 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 GLU N 1.0 -64.2 -23.2 PSI 7 7 A 14 LYS C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -81.6 -41.6 PHI 8 8 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 SER N 1.0 -63.3 -23.3 PSI 9 9 A 15 GLU C A 16 SER N A 16 SER CA A 16 SER C 1.0 -84.1 -44.1 PHI 10 10 A 16 SER N A 16 SER CA A 16 SER C A 17 VAL N 1.0 -62.9 -22.9 PSI 11 11 A 16 SER C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -85.3 -45.3 PHI 12 12 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 GLN N 1.0 -60.6 -20.6 PSI 13 13 A 17 VAL C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -84.0 -44.0 PHI 14 14 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 ILE N 1.0 -58.5 -18.5 PSI 15 15 A 18 GLN C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -84.6 -44.6 PHI 16 16 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 LEU N 1.0 -62.1 -22.1 PSI 17 17 A 19 ILE C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -86.7 -46.7 PHI 18 18 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 ARG N 1.0 -55.5 -15.5 PSI 19 19 A 20 LEU C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -84.7 -44.7 PHI 20 20 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 ASP N 1.0 -59.1 -19.1 PSI 21 21 A 21 ARG C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -87.3 -47.3 PHI 22 22 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 TRP N 1.0 -57.2 -16.8 PSI 23 23 A 22 ASP C A 23 TRP N A 23 TRP CA A 23 TRP C 1.0 -84.1 -44.1 PHI 24 24 A 23 TRP N A 23 TRP CA A 23 TRP C A 24 LEU N 1.0 -67.2 -19.8 PSI 25 25 A 23 TRP C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -83.1 -43.1 PHI 26 26 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 TYR N 1.0 -62.9 -22.9 PSI 27 27 A 24 LEU C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -78.4 -38.4 PHI 28 28 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 GLU N 1.0 -63.8 -23.8 PSI 29 29 A 25 TYR C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -88.6 -48.6 PHI 30 30 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 HIS N 1.0 -58.3 -18.3 PSI 31 31 A 34 SER C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -80.9 -40.9 PHI 32 32 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 GLN N 1.0 -59.8 -19.8 PSI 33 33 A 35 GLU C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -86.1 -46.1 PHI 34 34 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 GLU N 1.0 -59.0 -19.0 PSI 35 35 A 36 GLN C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -87.1 -47.1 PHI 36 36 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 LYS N 1.0 -62.3 -22.3 PSI 37 37 A 37 GLU C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -82.9 -42.9 PHI 38 38 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ALA N 1.0 -60.3 -20.3 PSI 39 39 A 38 LYS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -83.2 -43.2 PHI 40 40 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 LEU N 1.0 -58.9 -18.9 PSI 41 41 A 39 ALA C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -85.4 -45.4 PHI 42 42 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 LEU N 1.0 -63.7 -23.7 PSI 43 43 A 40 LEU C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -85.6 -45.6 PHI 44 44 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 SER N 1.0 -60.0 -20.0 PSI 45 45 A 41 LEU C A 42 SER N A 42 SER CA A 42 SER C 1.0 -87.0 -47.0 PHI 46 46 A 42 SER N A 42 SER CA A 42 SER C A 43 GLN N 1.0 -59.7 -19.7 PSI 47 47 A 42 SER C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -87.3 -47.3 PHI 48 48 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 GLN N 1.0 -62.1 -16.9 PSI 49 49 A 43 GLN C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -87.4 -47.4 PHI 50 50 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 THR N 1.0 -66.5 -4.3 PSI 51 51 A 48 SER C A 49 THR N A 49 THR CA A 49 THR C 1.0 -80.5 -40.5 PHI 52 52 A 49 THR N A 49 THR CA A 49 THR C A 50 LEU N 1.0 -57.2 -17.2 PSI 53 53 A 49 THR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -83.4 -43.4 PHI 54 54 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 GLN N 1.0 -63.3 -23.3 PSI 55 55 A 50 LEU C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -83.9 -43.9 PHI 56 56 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 VAL N 1.0 -60.9 -20.9 PSI 57 57 A 51 GLN C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -85.3 -45.3 PHI 58 58 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 CYS N 1.0 -61.7 -21.7 PSI 59 59 A 52 VAL C A 53 CYS N A 53 CYS CA A 53 CYS C 1.0 -79.9 -39.9 PHI 60 60 A 53 CYS N A 53 CYS CA A 53 CYS C A 54 ASN N 1.0 -64.5 -24.5 PSI 61 61 A 53 CYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -84.0 -44.0 PHI 62 62 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 TRP N 1.0 -60.9 -20.9 PSI 63 63 A 54 ASN C A 55 TRP N A 55 TRP CA A 55 TRP C 1.0 -85.9 -45.9 PHI 64 64 A 55 TRP N A 55 TRP CA A 55 TRP C A 56 PHE N 1.0 -64.9 -24.9 PSI 65 65 A 55 TRP C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -83.3 -43.3 PHI 66 66 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 ILE N 1.0 -61.1 -21.1 PSI 67 67 A 56 PHE C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -83.5 -43.5 PHI 68 68 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ASN N 1.0 -60.6 -20.6 PSI 69 69 A 57 ILE C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -83.9 -43.9 PHI 70 70 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 ALA N 1.0 -61.5 -21.5 PSI 71 71 A 58 ASN C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -84.8 -44.8 PHI 72 72 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ARG N 1.0 -61.9 -21.9 PSI 73 73 A 59 ALA C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -81.3 -41.3 PHI 74 74 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 ARG N 1.0 -60.1 -20.1 PSI 75 75 A 60 ARG C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -101.3 -54.3 PHI 76 76 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 ARG N 1.0 -63.4 -3.8 PSI 77 77 A 61 ARG C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -125.6 -45.4 PHI 78 78 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 LEU N 1.0 -73.1 12.9 PSI 79 79 A 62 ARG C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -113.0 -36.6 PHI 80 80 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 LEU N 1.0 -71.1 6.7 PSI 81 81 A 64 LEU C A 65 PRO N A 65 PRO CA A 65 PRO C 1.0 -76.7 -36.7 PHI 82 82 A 65 PRO N A 65 PRO CA A 65 PRO C A 66 ASP N 1.0 -57.7 -10.9 PSI 83 83 A 65 PRO C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -84.9 -44.9 PHI 84 84 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 MET N 1.0 -55.9 -15.9 PSI 85 85 A 66 ASP C A 67 MET N A 67 MET CA A 67 MET C 1.0 -85.0 -45.0 PHI 86 86 A 67 MET N A 67 MET CA A 67 MET C A 68 LEU N 1.0 -63.6 -23.6 PSI 87 87 A 67 MET C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -84.0 -44.0 PHI 88 88 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 ARG N 1.0 -65.7 -11.5 PSI 89 89 A 68 LEU C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -80.6 -40.6 PHI 90 90 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 LYS N 1.0 -61.6 -12.0 PSI 91 91 A 69 ARG C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -84.5 -44.5 PHI 92 92 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 ASP N 1.0 -57.2 -6.8 PSI stop_ save_ save_Nnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2498.350 2 1H 9351.144 3 1H 15243.902 stop_ save_ save_Cnoesy_aliph.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14108.625 2 1H 10201.248 3 1H 15243.902 stop_ save_ save_Cnoesy_arom.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 6413.526 2 1H 10201.248 3 1H 12755.102 stop_ save_ save_4D_ccnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3124.146 2 13C 3124.146 3 1H 4197.272 4 1H 8000.000 stop_ save_ save_Nus_nnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nus_nnoesy.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2498.350 2 1H 9351.145 3 1H 11904.762 stop_ save_