data_nef_c15139_2jo6 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 -2 GLN start . . 2 A -1 GLY middle . false 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 SER middle . . 6 A 3 GLN middle . . 7 A 4 TRP middle . . 8 A 5 LYS middle . . 9 A 6 ASP middle . . 10 A 7 ILE middle . . 11 A 8 CYS middle . . 12 A 9 LYS middle . . 13 A 10 ILE middle . . 14 A 11 ASP middle . . 15 A 12 ASP middle . . 16 A 13 ILE middle . . 17 A 14 LEU middle . . 18 A 15 PRO middle . false 19 A 16 GLU middle . . 20 A 17 THR middle . . 21 A 18 GLY middle . false 22 A 19 VAL middle . . 23 A 20 CYS middle . . 24 A 21 ALA middle . . 25 A 22 LEU middle . . 26 A 23 LEU middle . . 27 A 24 GLY middle . false 28 A 25 ASP middle . . 29 A 26 GLU middle . . 30 A 27 GLN middle . . 31 A 28 VAL middle . . 32 A 29 ALA middle . . 33 A 30 ILE middle . . 34 A 31 PHE middle . . 35 A 32 ARG middle . . 36 A 33 PRO middle . false 37 A 34 TYR middle . . 38 A 35 HIS middle . . 39 A 36 SER middle . . 40 A 37 ASP middle . . 41 A 38 GLN middle . . 42 A 39 VAL middle . . 43 A 40 PHE middle . . 44 A 41 ALA middle . . 45 A 42 ILE middle . . 46 A 43 SER middle . . 47 A 44 ASN middle . . 48 A 45 ILE middle . . 49 A 46 ASP middle . . 50 A 47 PRO middle . false 51 A 48 PHE middle . . 52 A 49 PHE middle . . 53 A 50 GLU middle . . 54 A 51 SER middle . . 55 A 52 SER middle . . 56 A 53 VAL middle . . 57 A 54 LEU middle . . 58 A 55 SER middle . . 59 A 56 ARG middle . . 60 A 57 GLY middle . false 61 A 58 LEU middle . . 62 A 59 ILE middle . . 63 A 60 ALA middle . . 64 A 61 GLU middle . . 65 A 62 HIS middle . . 66 A 63 GLN middle . . 67 A 64 GLY middle . false 68 A 65 GLU middle . . 69 A 66 LEU middle . . 70 A 67 TRP middle . . 71 A 68 VAL middle . . 72 A 69 ALA middle . . 73 A 70 SER middle . . 74 A 71 PRO middle . false 75 A 72 LEU middle . . 76 A 73 LYS middle . . 77 A 74 LYS middle . . 78 A 75 GLN middle . . 79 A 76 ARG middle . . 80 A 77 PHE middle . . 81 A 78 ARG middle . . 82 A 79 LEU middle . . 83 A 80 SER middle . . 84 A 81 ASP middle . . 85 A 82 GLY middle . false 86 A 83 LEU middle . . 87 A 84 CYS middle . . 88 A 85 MET middle . . 89 A 86 GLU middle . . 90 A 87 ASP middle . . 91 A 88 GLU middle . . 92 A 89 GLN middle . . 93 A 90 PHE middle . . 94 A 91 SER middle . . 95 A 92 VAL middle . . 96 A 93 LYS middle . . 97 A 94 HIS middle . . 98 A 95 TYR middle . . 99 A 96 GLU middle . . 100 A 97 ALA middle . . 101 A 98 ARG middle . . 102 A 99 VAL middle . . 103 A 100 LYS middle . . 104 A 101 ASP middle . . 105 A 102 GLY middle . false 106 A 103 VAL middle . . 107 A 104 VAL middle . . 108 A 105 GLN middle . . 109 A 106 LEU middle . . 110 A 107 ARG middle . . 111 A 108 GLY middle . false 112 A 109 GLY middle . false 113 A 110 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.48 0.02 A 1 MET HB2 H 1 1.97 0.02 A 1 MET HB3 H 1 1.97 0.02 A 1 MET HGx H 1 2.40 0.02 A 1 MET HGy H 1 2.49 0.02 A 1 MET C C 13 176.0 0.2 A 1 MET CA C 13 55.4 0.2 A 1 MET CB C 13 32.4 0.2 A 1 MET CG C 13 32.0 0.2 A 2 SER H H 1 8.36 0.02 A 2 SER HA H 1 4.40 0.02 A 2 SER HBx H 1 3.80 0.02 A 2 SER HBy H 1 3.88 0.02 A 2 SER C C 13 174.1 0.2 A 2 SER CA C 13 58.2 0.2 A 2 SER CB C 13 63.7 0.2 A 2 SER N N 15 117.0 0.2 A 3 GLN H H 1 8.28 0.02 A 3 GLN HA H 1 4.32 0.02 A 3 GLN HBx H 1 1.86 0.02 A 3 GLN HBy H 1 2.06 0.02 A 3 GLN HE21 H 1 7.54 0.02 A 3 GLN HE22 H 1 6.91 0.02 A 3 GLN HG2 H 1 2.36 0.02 A 3 GLN HG3 H 1 2.36 0.02 A 3 GLN C C 13 175.5 0.2 A 3 GLN CA C 13 55.4 0.2 A 3 GLN CB C 13 30.1 0.2 A 3 GLN CD C 13 180.4 0.2 A 3 GLN CG C 13 33.8 0.2 A 3 GLN N N 15 121.8 0.2 A 3 GLN NE2 N 15 112.9 0.2 A 4 TRP H H 1 8.17 0.02 A 4 TRP HA H 1 4.47 0.02 A 4 TRP HBx H 1 2.81 0.02 A 4 TRP HBy H 1 2.87 0.02 A 4 TRP HD1 H 1 7.25 0.02 A 4 TRP HE1 H 1 10.04 0.02 A 4 TRP HE3 H 1 6.99 0.02 A 4 TRP HH2 H 1 6.92 0.02 A 4 TRP HZ2 H 1 7.35 0.02 A 4 TRP HZ3 H 1 6.77 0.02 A 4 TRP C C 13 176.2 0.2 A 4 TRP CA C 13 57.6 0.2 A 4 TRP CB C 13 30.3 0.2 A 4 TRP CD1 C 13 128.2 0.2 A 4 TRP CE3 C 13 119.8 0.2 A 4 TRP CH2 C 13 123.7 0.2 A 4 TRP CZ2 C 13 114.5 0.2 A 4 TRP CZ3 C 13 121.9 0.2 A 4 TRP N N 15 122.3 0.2 A 4 TRP NE1 N 15 129.5 0.2 A 5 LYS H H 1 9.37 0.02 A 5 LYS HA H 1 4.69 0.02 A 5 LYS HBx H 1 1.74 0.02 A 5 LYS HBy H 1 1.77 0.02 A 5 LYS HDx H 1 1.61 0.02 A 5 LYS HDy H 1 1.69 0.02 A 5 LYS HE2 H 1 3.01 0.02 A 5 LYS HE3 H 1 3.01 0.02 A 5 LYS HG2 H 1 1.43 0.02 A 5 LYS HG3 H 1 1.43 0.02 A 5 LYS C C 13 175.6 0.2 A 5 LYS CA C 13 54.2 0.2 A 5 LYS CB C 13 34.7 0.2 A 5 LYS CD C 13 28.9 0.2 A 5 LYS CE C 13 42.4 0.2 A 5 LYS CG C 13 24.6 0.2 A 5 LYS N N 15 125.1 0.2 A 6 ASP H H 1 8.73 0.02 A 6 ASP HA H 1 4.50 0.02 A 6 ASP HBx H 1 2.37 0.02 A 6 ASP HBy H 1 2.65 0.02 A 6 ASP C C 13 176.2 0.2 A 6 ASP CA C 13 55.4 0.2 A 6 ASP CB C 13 40.7 0.2 A 6 ASP N N 15 125.4 0.2 A 7 ILE H H 1 9.30 0.02 A 7 ILE HA H 1 4.30 0.02 A 7 ILE HB H 1 1.84 0.02 A 7 ILE HD1% H 1 0.58 0.02 A 7 ILE HG1x H 1 1.02 0.02 A 7 ILE HG1y H 1 1.86 0.02 A 7 ILE HG2% H 1 0.67 0.02 A 7 ILE C C 13 175.5 0.2 A 7 ILE CA C 13 60.0 0.2 A 7 ILE CB C 13 37.7 0.2 A 7 ILE CD1 C 13 8.8 0.2 A 7 ILE CG1 C 13 26.6 0.2 A 7 ILE CG2 C 13 17.4 0.2 A 7 ILE N N 15 122.9 0.2 A 8 CYS H H 1 7.51 0.02 A 8 CYS HA H 1 4.88 0.02 A 8 CYS HBx H 1 3.02 0.02 A 8 CYS HBy H 1 3.64 0.02 A 8 CYS C C 13 172.3 0.2 A 8 CYS CA C 13 55.7 0.2 A 8 CYS CB C 13 28.8 0.2 A 8 CYS N N 15 111.4 0.2 A 9 LYS H H 1 8.92 0.02 A 9 LYS HA H 1 4.88 0.02 A 9 LYS HBx H 1 1.72 0.02 A 9 LYS HBy H 1 2.08 0.02 A 9 LYS HD2 H 1 1.69 0.02 A 9 LYS HD3 H 1 1.69 0.02 A 9 LYS HE2 H 1 3.00 0.02 A 9 LYS HE3 H 1 3.00 0.02 A 9 LYS HGx H 1 1.45 0.02 A 9 LYS HGy H 1 1.61 0.02 A 9 LYS C C 13 179.4 0.2 A 9 LYS CA C 13 55.7 0.2 A 9 LYS CB C 13 32.1 0.2 A 9 LYS CD C 13 28.6 0.2 A 9 LYS CE C 13 41.7 0.2 A 9 LYS CG C 13 25.0 0.2 A 9 LYS N N 15 120.1 0.2 A 10 ILE H H 1 8.64 0.02 A 10 ILE HA H 1 3.99 0.02 A 10 ILE HB H 1 1.44 0.02 A 10 ILE HD1% H 1 0.75 0.02 A 10 ILE HG1x H 1 1.07 0.02 A 10 ILE HG1y H 1 1.41 0.02 A 10 ILE HG2% H 1 0.97 0.02 A 10 ILE C C 13 174.9 0.2 A 10 ILE CA C 13 61.0 0.2 A 10 ILE CB C 13 37.8 0.2 A 10 ILE CD1 C 13 14.2 0.2 A 10 ILE CG1 C 13 29.0 0.2 A 10 ILE CG2 C 13 18.5 0.2 A 10 ILE N N 15 123.7 0.2 A 11 ASP H H 1 7.60 0.02 A 11 ASP HA H 1 4.35 0.02 A 11 ASP HBy H 1 2.73 0.02 A 11 ASP HBx H 1 2.36 0.02 A 11 ASP C C 13 176.5 0.2 A 11 ASP CA C 13 55.4 0.2 A 11 ASP CB C 13 40.4 0.2 A 11 ASP N N 15 115.8 0.2 A 12 ASP H H 1 7.60 0.02 A 12 ASP HA H 1 4.49 0.02 A 12 ASP HBx H 1 2.81 0.02 A 12 ASP HBy H 1 2.91 0.02 A 12 ASP C C 13 175.6 0.2 A 12 ASP CA C 13 55.5 0.2 A 12 ASP CB C 13 40.9 0.2 A 12 ASP N N 15 116.8 0.2 A 13 ILE H H 1 7.70 0.02 A 13 ILE HA H 1 4.00 0.02 A 13 ILE HB H 1 1.78 0.02 A 13 ILE HD1% H 1 0.55 0.02 A 13 ILE HG1x H 1 0.66 0.02 A 13 ILE HG1y H 1 1.41 0.02 A 13 ILE HG2% H 1 0.70 0.02 A 13 ILE C C 13 174.1 0.2 A 13 ILE CA C 13 60.5 0.2 A 13 ILE CB C 13 38.2 0.2 A 13 ILE CD1 C 13 14.3 0.2 A 13 ILE CG1 C 13 26.0 0.2 A 13 ILE CG2 C 13 18.4 0.2 A 13 ILE N N 15 120.9 0.2 A 14 LEU H H 1 7.97 0.02 A 14 LEU HA H 1 4.37 0.02 A 14 LEU HBx H 1 1.47 0.02 A 14 LEU HBy H 1 1.63 0.02 A 14 LEU HD1% H 1 0.95 0.02 A 14 LEU HD2% H 1 0.90 0.02 A 14 LEU HG H 1 1.77 0.02 A 14 LEU CA C 13 53.8 0.2 A 14 LEU CB C 13 40.5 0.2 A 14 LEU CD1 C 13 25.1 0.02 A 14 LEU CD2 C 13 23.5 0.02 A 14 LEU CG C 13 27.2 0.2 A 14 LEU N N 15 127.8 0.2 A 15 PRO HA H 1 4.08 0.02 A 15 PRO HBx H 1 1.30 0.02 A 15 PRO HBy H 1 1.50 0.02 A 15 PRO HDx H 1 3.45 0.02 A 15 PRO HDy H 1 3.93 0.02 A 15 PRO HGx H 1 1.51 0.02 A 15 PRO HGy H 1 1.78 0.02 A 15 PRO C C 13 175.7 0.2 A 15 PRO CA C 13 64.3 0.2 A 15 PRO CB C 13 31.6 0.2 A 15 PRO CD C 13 50.4 0.2 A 15 PRO CG C 13 28.2 0.2 A 16 GLU H H 1 8.93 0.02 A 16 GLU HA H 1 3.66 0.02 A 16 GLU HBx H 1 2.31 0.02 A 16 GLU HBy H 1 2.54 0.02 A 16 GLU HGx H 1 1.90 0.02 A 16 GLU HGy H 1 2.33 0.02 A 16 GLU C C 13 175.5 0.2 A 16 GLU CA C 13 58.3 0.2 A 16 GLU CB C 13 27.3 0.2 A 16 GLU CG C 13 37.1 0.2 A 16 GLU N N 15 113.7 0.2 A 17 THR H H 1 7.79 0.02 A 17 THR HA H 1 5.08 0.02 A 17 THR HB H 1 4.40 0.02 A 17 THR HG1 H 1 6.46 0.02 A 17 THR HG2% H 1 1.14 0.02 A 17 THR C C 13 172.1 0.2 A 17 THR CA C 13 60.7 0.2 A 17 THR CB C 13 73.1 0.2 A 17 THR CG2 C 13 21.6 0.2 A 17 THR N N 15 110.0 0.2 A 18 GLY H H 1 8.08 0.02 A 18 GLY HAx H 1 3.07 0.02 A 18 GLY HAy H 1 5.27 0.02 A 18 GLY C C 13 173.4 0.2 A 18 GLY CA C 13 44.6 0.2 A 18 GLY N N 15 103.7 0.2 A 19 VAL H H 1 8.52 0.02 A 19 VAL HA H 1 4.57 0.02 A 19 VAL HB H 1 2.04 0.02 A 19 VAL HG1% H 1 0.87 0.02 A 19 VAL HG2% H 1 0.68 0.02 A 19 VAL C C 13 172.9 0.2 A 19 VAL CA C 13 58.9 0.2 A 19 VAL CB C 13 35.9 0.2 A 19 VAL CG1 C 13 22.0 0.02 A 19 VAL CG2 C 13 18.9 0.02 A 19 VAL N N 15 112.9 0.2 A 20 CYS H H 1 8.29 0.02 A 20 CYS HA H 1 5.25 0.02 A 20 CYS HBx H 1 2.48 0.02 A 20 CYS HBy H 1 2.71 0.02 A 20 CYS C C 13 173.5 0.2 A 20 CYS CA C 13 56.3 0.2 A 20 CYS CB C 13 27.6 0.2 A 20 CYS N N 15 120.7 0.2 A 21 ALA H H 1 9.59 0.02 A 21 ALA HA H 1 4.58 0.02 A 21 ALA HB% H 1 1.09 0.02 A 21 ALA C C 13 174.4 0.2 A 21 ALA CA C 13 50.2 0.2 A 21 ALA CB C 13 23.4 0.2 A 21 ALA N N 15 132.5 0.2 A 22 LEU H H 1 8.10 0.02 A 22 LEU HA H 1 4.86 0.02 A 22 LEU HB2 H 1 1.45 0.02 A 22 LEU HB3 H 1 1.45 0.02 A 22 LEU HD1% H 1 0.75 0.02 A 22 LEU HD2% H 1 0.69 0.02 A 22 LEU HG H 1 1.43 0.02 A 22 LEU C C 13 175.8 0.2 A 22 LEU CA C 13 53.8 0.2 A 22 LEU CB C 13 43.6 0.2 A 22 LEU CD1 C 13 24.6 0.02 A 22 LEU CD2 C 13 24.4 0.02 A 22 LEU CG C 13 27.1 0.2 A 22 LEU N N 15 120.7 0.2 A 23 LEU H H 1 8.66 0.02 A 23 LEU HA H 1 4.41 0.02 A 23 LEU HBx H 1 0.76 0.02 A 23 LEU HBy H 1 1.62 0.02 A 23 LEU HD1% H 1 0.74 0.02 A 23 LEU HD2% H 1 0.70 0.02 A 23 LEU HG H 1 1.31 0.02 A 23 LEU C C 13 176.6 0.2 A 23 LEU CA C 13 53.1 0.2 A 23 LEU CB C 13 43.4 0.2 A 23 LEU CD1 C 13 23.8 0.02 A 23 LEU CD2 C 13 26.1 0.02 A 23 LEU CG C 13 27.2 0.2 A 23 LEU N N 15 125.8 0.2 A 24 GLY H H 1 8.91 0.02 A 24 GLY HAx H 1 3.56 0.02 A 24 GLY HAy H 1 4.00 0.02 A 24 GLY C C 13 173.8 0.2 A 24 GLY CA C 13 47.3 0.2 A 24 GLY N N 15 118.3 0.2 A 25 ASP H H 1 8.80 0.02 A 25 ASP HA H 1 4.69 0.02 A 25 ASP HBx H 1 2.68 0.02 A 25 ASP HBy H 1 2.72 0.02 A 25 ASP C C 13 176.1 0.2 A 25 ASP CA C 13 53.9 0.2 A 25 ASP CB C 13 41.3 0.2 A 25 ASP N N 15 126.6 0.2 A 26 GLU H H 1 8.10 0.02 A 26 GLU HA H 1 4.44 0.02 A 26 GLU HBx H 1 1.93 0.02 A 26 GLU HBy H 1 2.12 0.02 A 26 GLU HGx H 1 2.28 0.02 A 26 GLU HGy H 1 2.46 0.02 A 26 GLU C C 13 174.8 0.2 A 26 GLU CA C 13 55.8 0.2 A 26 GLU CB C 13 30.6 0.2 A 26 GLU CG C 13 36.9 0.2 A 26 GLU N N 15 120.4 0.2 A 27 GLN H H 1 8.64 0.02 A 27 GLN HA H 1 4.51 0.02 A 27 GLN HBx H 1 1.79 0.02 A 27 GLN HBy H 1 1.82 0.02 A 27 GLN HE21 H 1 7.63 0.02 A 27 GLN HE22 H 1 6.98 0.02 A 27 GLN HGx H 1 2.04 0.02 A 27 GLN HGy H 1 2.35 0.02 A 27 GLN C C 13 175.8 0.2 A 27 GLN CA C 13 55.7 0.2 A 27 GLN CB C 13 29.3 0.2 A 27 GLN CG C 13 33.9 0.2 A 27 GLN N N 15 121.3 0.2 A 27 GLN NE2 N 15 113.5 0.2 A 28 VAL H H 1 9.28 0.02 A 28 VAL HA H 1 4.04 0.02 A 28 VAL HB H 1 1.37 0.02 A 28 VAL HG1% H 1 0.26 0.02 A 28 VAL HG2% H 1 -0.06 0.02 A 28 VAL C C 13 172.9 0.2 A 28 VAL CA C 13 61.9 0.2 A 28 VAL CB C 13 34.8 0.2 A 28 VAL CG1 C 13 22.0 0.02 A 28 VAL CG2 C 13 19.6 0.02 A 28 VAL N N 15 128.6 0.2 A 29 ALA H H 1 9.44 0.02 A 29 ALA HA H 1 4.68 0.02 A 29 ALA HB% H 1 1.14 0.02 A 29 ALA C C 13 175.2 0.2 A 29 ALA CA C 13 50.5 0.2 A 29 ALA CB C 13 20.2 0.2 A 29 ALA N N 15 130.4 0.2 A 30 ILE H H 1 8.59 0.02 A 30 ILE HA H 1 4.68 0.02 A 30 ILE HB H 1 1.47 0.02 A 30 ILE HD1% H 1 0.57 0.02 A 30 ILE HG1x H 1 0.57 0.02 A 30 ILE HG1y H 1 1.44 0.02 A 30 ILE HG2% H 1 0.57 0.02 A 30 ILE C C 13 174.8 0.2 A 30 ILE CA C 13 59.9 0.2 A 30 ILE CB C 13 39.3 0.2 A 30 ILE CD1 C 13 15.7 0.2 A 30 ILE CG1 C 13 27.4 0.2 A 30 ILE CG2 C 13 18.1 0.2 A 30 ILE N N 15 120.6 0.2 A 31 PHE H H 1 9.43 0.02 A 31 PHE HA H 1 5.07 0.02 A 31 PHE HBx H 1 2.70 0.02 A 31 PHE HBy H 1 2.73 0.02 A 31 PHE HD1 H 1 6.96 0.02 A 31 PHE HD2 H 1 6.96 0.02 A 31 PHE C C 13 174.8 0.2 A 31 PHE CA C 13 57.2 0.2 A 31 PHE CB C 13 43.4 0.2 A 31 PHE CD1 C 13 131.8 0.02 A 31 PHE CD2 C 13 131.8 0.02 A 31 PHE N N 15 121.8 0.2 A 32 ARG H H 1 8.45 0.02 A 32 ARG HA H 1 5.47 0.02 A 32 ARG HBx H 1 1.23 0.02 A 32 ARG HBy H 1 2.15 0.02 A 32 ARG HDx H 1 2.90 0.02 A 32 ARG HDy H 1 2.94 0.02 A 32 ARG HE H 1 7.02 0.02 A 32 ARG HGx H 1 1.62 0.02 A 32 ARG HGy H 1 2.32 0.02 A 32 ARG HH11 H 1 6.01 0.02 A 32 ARG HH12 H 1 6.01 0.02 A 32 ARG CA C 13 52.0 0.2 A 32 ARG CB C 13 33.2 0.2 A 32 ARG CD C 13 45.5 0.2 A 32 ARG CG C 13 26.6 0.2 A 32 ARG N N 15 123.0 0.2 A 32 ARG NE N 15 84.3 0.2 A 32 ARG NH1 N 15 67.6 0.02 A 33 PRO HA H 1 3.91 0.02 A 33 PRO HBx H 1 0.80 0.02 A 33 PRO HBy H 1 1.74 0.02 A 33 PRO HDx H 1 3.65 0.02 A 33 PRO HDy H 1 3.91 0.02 A 33 PRO HGx H 1 1.44 0.02 A 33 PRO HGy H 1 1.71 0.02 A 33 PRO C C 13 174.3 0.2 A 33 PRO CA C 13 64.6 0.2 A 33 PRO CB C 13 32.8 0.2 A 33 PRO CD C 13 49.9 0.2 A 33 PRO CG C 13 27.5 0.2 A 34 TYR H H 1 9.00 0.02 A 34 TYR HA H 1 5.25 0.02 A 34 TYR HBx H 1 3.00 0.02 A 34 TYR HBy H 1 3.45 0.02 A 34 TYR HD1 H 1 7.17 0.02 A 34 TYR HD2 H 1 7.17 0.02 A 34 TYR HE1 H 1 6.78 0.02 A 34 TYR HE2 H 1 6.78 0.02 A 34 TYR C C 13 175.0 0.2 A 34 TYR CA C 13 54.2 0.2 A 34 TYR CB C 13 41.0 0.2 A 34 TYR CD1 C 13 133.7 0.02 A 34 TYR CD2 C 13 133.7 0.02 A 34 TYR CE1 C 13 117.4 0.02 A 34 TYR CE2 C 13 117.4 0.02 A 34 TYR N N 15 115.5 0.2 A 35 HIS H H 1 8.70 0.02 A 35 HIS HA H 1 4.49 0.02 A 35 HIS HBx H 1 3.02 0.02 A 35 HIS HBy H 1 3.27 0.02 A 35 HIS HD2 H 1 7.09 0.02 A 35 HIS HE1 H 1 7.85 0.02 A 35 HIS C C 13 175.8 0.2 A 35 HIS CA C 13 56.4 0.2 A 35 HIS CB C 13 28.6 0.2 A 35 HIS CD2 C 13 119.1 0.2 A 35 HIS CE1 C 13 137.9 0.2 A 35 HIS N N 15 119.0 0.2 A 36 SER H H 1 7.89 0.02 A 36 SER HA H 1 4.77 0.02 A 36 SER HBx H 1 3.93 0.02 A 36 SER HBy H 1 4.24 0.02 A 36 SER C C 13 173.8 0.2 A 36 SER CA C 13 57.0 0.2 A 36 SER CB C 13 64.7 0.2 A 36 SER N N 15 115.5 0.2 A 37 ASP H H 1 8.54 0.02 A 37 ASP HA H 1 4.54 0.02 A 37 ASP HB2 H 1 2.68 0.02 A 37 ASP HB3 H 1 2.68 0.02 A 37 ASP C C 13 174.7 0.2 A 37 ASP CA C 13 53.8 0.2 A 37 ASP CB C 13 39.6 0.2 A 37 ASP N N 15 119.4 0.2 A 38 GLN H H 1 7.49 0.02 A 38 GLN HA H 1 4.14 0.02 A 38 GLN HB2 H 1 2.08 0.02 A 38 GLN HB3 H 1 2.08 0.02 A 38 GLN HE21 H 1 7.30 0.02 A 38 GLN HE22 H 1 6.98 0.02 A 38 GLN HG2 H 1 2.20 0.02 A 38 GLN HG3 H 1 2.20 0.02 A 38 GLN C C 13 175.5 0.2 A 38 GLN CA C 13 57.1 0.2 A 38 GLN CB C 13 29.4 0.2 A 38 GLN CD C 13 179.9 0.2 A 38 GLN CG C 13 34.2 0.2 A 38 GLN N N 15 118.7 0.2 A 38 GLN NE2 N 15 112.6 0.2 A 39 VAL H H 1 7.80 0.02 A 39 VAL HA H 1 5.60 0.02 A 39 VAL HB H 1 1.76 0.02 A 39 VAL HG1% H 1 0.65 0.02 A 39 VAL HG2% H 1 0.58 0.02 A 39 VAL C C 13 174.2 0.2 A 39 VAL CA C 13 58.2 0.2 A 39 VAL CB C 13 36.5 0.2 A 39 VAL CG1 C 13 22.1 0.02 A 39 VAL CG2 C 13 18.1 0.02 A 39 VAL N N 15 116.1 0.2 A 40 PHE H H 1 8.48 0.02 A 40 PHE HA H 1 4.87 0.02 A 40 PHE HBx H 1 2.53 0.02 A 40 PHE HBy H 1 3.35 0.02 A 40 PHE HD1 H 1 7.05 0.02 A 40 PHE HD2 H 1 7.05 0.02 A 40 PHE HE1 H 1 7.19 0.02 A 40 PHE HE2 H 1 7.19 0.02 A 40 PHE C C 13 173.9 0.2 A 40 PHE CA C 13 56.8 0.2 A 40 PHE CB C 13 45.3 0.2 A 40 PHE CD1 C 13 132.0 0.02 A 40 PHE CD2 C 13 132.0 0.02 A 40 PHE CE1 C 13 130.8 0.02 A 40 PHE CE2 C 13 130.8 0.02 A 40 PHE N N 15 117.2 0.2 A 41 ALA H H 1 9.52 0.02 A 41 ALA HA H 1 6.20 0.02 A 41 ALA HB% H 1 1.16 0.02 A 41 ALA C C 13 176.3 0.2 A 41 ALA CA C 13 50.9 0.2 A 41 ALA CB C 13 24.1 0.2 A 41 ALA N N 15 125.1 0.2 A 42 ILE H H 1 8.97 0.02 A 42 ILE HA H 1 5.58 0.02 A 42 ILE HB H 1 2.18 0.02 A 42 ILE HD1% H 1 0.80 0.02 A 42 ILE HG1x H 1 1.07 0.02 A 42 ILE HG1y H 1 1.82 0.02 A 42 ILE HG2% H 1 1.14 0.02 A 42 ILE C C 13 174.6 0.2 A 42 ILE CA C 13 59.3 0.2 A 42 ILE CB C 13 44.3 0.2 A 42 ILE CD1 C 13 14.1 0.2 A 42 ILE CG1 C 13 25.1 0.2 A 42 ILE CG2 C 13 19.2 0.2 A 42 ILE N N 15 117.1 0.2 A 43 SER H H 1 8.46 0.02 A 43 SER HA H 1 4.35 0.02 A 43 SER HBx H 1 3.80 0.02 A 43 SER HBy H 1 4.29 0.02 A 43 SER C C 13 172.1 0.2 A 43 SER CA C 13 59.5 0.2 A 43 SER CB C 13 64.9 0.2 A 43 SER N N 15 112.4 0.2 A 44 ASN H H 1 7.99 0.02 A 44 ASN HA H 1 4.94 0.02 A 44 ASN HBx H 1 2.01 0.02 A 44 ASN HBy H 1 2.18 0.02 A 44 ASN HD2y H 1 7.94 0.02 A 44 ASN HD2x H 1 7.35 0.02 A 44 ASN C C 13 175.8 0.2 A 44 ASN CA C 13 53.8 0.2 A 44 ASN CB C 13 40.6 0.2 A 44 ASN N N 15 117.8 0.2 A 44 ASN ND2 N 15 117.3 0.2 A 45 ILE H H 1 8.19 0.02 A 45 ILE HA H 1 4.10 0.02 A 45 ILE HB H 1 2.06 0.02 A 45 ILE HD1% H 1 0.76 0.02 A 45 ILE HG1x H 1 1.26 0.02 A 45 ILE HG1y H 1 1.44 0.02 A 45 ILE HG2% H 1 0.61 0.02 A 45 ILE C C 13 175.2 0.2 A 45 ILE CA C 13 59.4 0.2 A 45 ILE CB C 13 36.5 0.2 A 45 ILE CD1 C 13 11.0 0.2 A 45 ILE CG1 C 13 27.4 0.2 A 45 ILE CG2 C 13 17.2 0.2 A 45 ILE N N 15 118.3 0.2 A 46 ASP H H 1 8.72 0.02 A 46 ASP HA H 1 4.53 0.02 A 46 ASP HBx H 1 2.55 0.02 A 46 ASP HBy H 1 2.99 0.02 A 46 ASP CA C 13 51.4 0.2 A 46 ASP CB C 13 42.9 0.2 A 46 ASP N N 15 128.6 0.2 A 47 PRO HA H 1 4.50 0.02 A 47 PRO HBx H 1 1.99 0.02 A 47 PRO HBy H 1 2.24 0.02 A 47 PRO HD2 H 1 4.01 0.02 A 47 PRO HD3 H 1 4.01 0.02 A 47 PRO HGy H 1 2.89 0.02 A 47 PRO HGx H 1 1.93 0.02 A 47 PRO C C 13 177.8 0.2 A 47 PRO CA C 13 63.7 0.2 A 47 PRO CB C 13 32.2 0.2 A 47 PRO CD C 13 51.0 0.2 A 47 PRO CG C 13 26.8 0.2 A 48 PHE H H 1 9.27 0.02 A 48 PHE HA H 1 3.98 0.02 A 48 PHE HBx H 1 2.35 0.02 A 48 PHE HBy H 1 3.40 0.02 A 48 PHE HD1 H 1 7.06 0.02 A 48 PHE HD2 H 1 7.06 0.02 A 48 PHE C C 13 177.1 0.2 A 48 PHE CA C 13 61.4 0.2 A 48 PHE CB C 13 37.9 0.2 A 48 PHE CD1 C 13 131.1 0.02 A 48 PHE CD2 C 13 131.1 0.02 A 48 PHE N N 15 121.8 0.2 A 49 PHE H H 1 7.44 0.02 A 49 PHE HA H 1 4.56 0.02 A 49 PHE HBx H 1 2.24 0.02 A 49 PHE HBy H 1 3.39 0.02 A 49 PHE HD1 H 1 7.41 0.02 A 49 PHE HD2 H 1 7.41 0.02 A 49 PHE HE1 H 1 7.39 0.02 A 49 PHE HE2 H 1 7.39 0.02 A 49 PHE HZ H 1 7.18 0.02 A 49 PHE C C 13 176.1 0.2 A 49 PHE CA C 13 58.3 0.2 A 49 PHE CB C 13 42.0 0.2 A 49 PHE CD1 C 13 133.0 0.02 A 49 PHE CD2 C 13 133.0 0.02 A 49 PHE CE1 C 13 131.5 0.02 A 49 PHE CE2 C 13 131.5 0.02 A 49 PHE CZ C 13 129.4 0.2 A 49 PHE N N 15 114.5 0.2 A 50 GLU H H 1 8.59 0.02 A 50 GLU HA H 1 3.78 0.02 A 50 GLU HBx H 1 2.08 0.02 A 50 GLU HBy H 1 2.14 0.02 A 50 GLU HG2 H 1 2.13 0.02 A 50 GLU HG3 H 1 2.13 0.02 A 50 GLU C C 13 175.0 0.2 A 50 GLU CA C 13 57.3 0.2 A 50 GLU CB C 13 27.1 0.2 A 50 GLU CG C 13 36.5 0.2 A 50 GLU N N 15 120.3 0.2 A 51 SER H H 1 7.10 0.02 A 51 SER HA H 1 4.91 0.02 A 51 SER HBx H 1 3.54 0.02 A 51 SER HBy H 1 3.67 0.02 A 51 SER CA C 13 56.5 0.2 A 51 SER CB C 13 66.1 0.2 A 51 SER N N 15 110.3 0.2 A 52 SER HA H 1 4.55 0.02 A 52 SER HBx H 1 3.61 0.02 A 52 SER HBy H 1 4.17 0.02 A 52 SER C C 13 173.5 0.2 A 52 SER CA C 13 56.7 0.2 A 52 SER CB C 13 62.1 0.2 A 53 VAL H H 1 7.59 0.02 A 53 VAL HA H 1 4.90 0.02 A 53 VAL HB H 1 2.38 0.02 A 53 VAL HG1% H 1 0.83 0.02 A 53 VAL HG2% H 1 0.84 0.02 A 53 VAL C C 13 176.8 0.2 A 53 VAL CA C 13 61.3 0.2 A 53 VAL CB C 13 36.2 0.2 A 53 VAL CG1 C 13 21.6 0.02 A 53 VAL CG2 C 13 18.7 0.02 A 53 VAL N N 15 117.4 0.2 A 54 LEU H H 1 8.69 0.02 A 54 LEU HA H 1 3.93 0.02 A 54 LEU HBx H 1 1.33 0.02 A 54 LEU HBy H 1 2.02 0.02 A 54 LEU HD1% H 1 0.58 0.02 A 54 LEU HD2% H 1 0.98 0.02 A 54 LEU HG H 1 1.60 0.02 A 54 LEU C C 13 179.5 0.2 A 54 LEU CA C 13 60.0 0.2 A 54 LEU CB C 13 40.8 0.2 A 54 LEU CD1 C 13 24.8 0.02 A 54 LEU CD2 C 13 23.7 0.02 A 54 LEU CG C 13 27.5 0.2 A 54 LEU N N 15 121.1 0.2 A 55 SER H H 1 9.75 0.02 A 55 SER HA H 1 3.80 0.02 A 55 SER HBx H 1 3.17 0.02 A 55 SER HBy H 1 3.43 0.02 A 55 SER C C 13 174.1 0.2 A 55 SER CA C 13 61.6 0.2 A 55 SER CB C 13 61.9 0.2 A 55 SER N N 15 113.4 0.2 A 56 ARG H H 1 7.51 0.02 A 56 ARG HA H 1 4.56 0.02 A 56 ARG HBx H 1 1.84 0.02 A 56 ARG HBy H 1 2.14 0.02 A 56 ARG HD2 H 1 3.24 0.02 A 56 ARG HD3 H 1 3.24 0.02 A 56 ARG HG2 H 1 1.70 0.02 A 56 ARG HG3 H 1 1.70 0.02 A 56 ARG C C 13 177.5 0.2 A 56 ARG CA C 13 55.4 0.2 A 56 ARG CB C 13 30.4 0.2 A 56 ARG CD C 13 43.8 0.2 A 56 ARG CG C 13 27.5 0.2 A 56 ARG N N 15 118.4 0.2 A 57 GLY H H 1 8.55 0.02 A 57 GLY HA2 H 1 4.02 0.02 A 57 GLY HA3 H 1 4.02 0.02 A 57 GLY C C 13 171.2 0.2 A 57 GLY CA C 13 45.4 0.2 A 57 GLY N N 15 108.6 0.2 A 58 LEU H H 1 7.74 0.02 A 58 LEU HA H 1 4.64 0.02 A 58 LEU HBx H 1 1.60 0.02 A 58 LEU HBy H 1 1.66 0.02 A 58 LEU HD1% H 1 0.98 0.02 A 58 LEU HD2% H 1 0.94 0.02 A 58 LEU HG H 1 1.67 0.02 A 58 LEU C C 13 177.0 0.2 A 58 LEU CA C 13 54.2 0.2 A 58 LEU CB C 13 43.7 0.2 A 58 LEU CD1 C 13 24.7 0.02 A 58 LEU CD2 C 13 24.2 0.02 A 58 LEU CG C 13 27.1 0.2 A 58 LEU N N 15 119.1 0.2 A 59 ILE H H 1 8.78 0.02 A 59 ILE HA H 1 4.66 0.02 A 59 ILE HB H 1 1.64 0.02 A 59 ILE HD1% H 1 0.55 0.02 A 59 ILE HG1y H 1 1.55 0.02 A 59 ILE HG1x H 1 0.46 0.02 A 59 ILE HG2% H 1 0.61 0.02 A 59 ILE C C 13 175.5 0.2 A 59 ILE CA C 13 60.6 0.2 A 59 ILE CB C 13 38.7 0.2 A 59 ILE CD1 C 13 13.8 0.2 A 59 ILE CG1 C 13 27.5 0.2 A 59 ILE CG2 C 13 18.7 0.2 A 59 ILE N N 15 126.5 0.2 A 60 ALA H H 1 9.11 0.02 A 60 ALA HA H 1 4.59 0.02 A 60 ALA HB% H 1 1.28 0.02 A 60 ALA C C 13 175.0 0.2 A 60 ALA CA C 13 51.3 0.2 A 60 ALA CB C 13 23.1 0.2 A 60 ALA N N 15 129.3 0.2 A 61 GLU H H 1 8.46 0.02 A 61 GLU HA H 1 5.07 0.02 A 61 GLU HBx H 1 1.78 0.02 A 61 GLU HBy H 1 1.93 0.02 A 61 GLU HGx H 1 1.96 0.02 A 61 GLU HGy H 1 2.08 0.02 A 61 GLU C C 13 176.0 0.2 A 61 GLU CA C 13 55.1 0.2 A 61 GLU CB C 13 31.2 0.2 A 61 GLU CG C 13 36.6 0.2 A 61 GLU N N 15 121.5 0.2 A 62 HIS H H 1 9.31 0.02 A 62 HIS HA H 1 4.74 0.02 A 62 HIS HBx H 1 2.55 0.02 A 62 HIS HBy H 1 2.69 0.02 A 62 HIS HD2 H 1 6.98 0.02 A 62 HIS HE1 H 1 7.57 0.02 A 62 HIS CA C 13 56.4 0.2 A 62 HIS CB C 13 32.6 0.2 A 62 HIS CD2 C 13 119.7 0.2 A 62 HIS CE1 C 13 138.8 0.2 A 62 HIS N N 15 123.5 0.2 A 63 GLN HA H 1 3.87 0.02 A 63 GLN HBx H 1 2.07 0.02 A 63 GLN HBy H 1 2.27 0.02 A 63 GLN HE21 H 1 7.52 0.02 A 63 GLN HE22 H 1 6.82 0.02 A 63 GLN HGx H 1 2.00 0.02 A 63 GLN HGy H 1 2.12 0.02 A 63 GLN C C 13 176.0 0.2 A 63 GLN CA C 13 56.6 0.2 A 63 GLN CB C 13 26.8 0.2 A 63 GLN CD C 13 180.7 0.2 A 63 GLN CG C 13 34.0 0.2 A 63 GLN NE2 N 15 111.8 0.2 A 64 GLY H H 1 8.97 0.02 A 64 GLY HAx H 1 3.68 0.02 A 64 GLY HAy H 1 4.14 0.02 A 64 GLY C C 13 173.8 0.2 A 64 GLY CA C 13 45.6 0.2 A 64 GLY N N 15 104.2 0.2 A 65 GLU H H 1 7.85 0.02 A 65 GLU HA H 1 4.81 0.02 A 65 GLU HBx H 1 1.75 0.02 A 65 GLU HBy H 1 1.98 0.02 A 65 GLU HGx H 1 2.18 0.02 A 65 GLU HGy H 1 2.26 0.02 A 65 GLU C C 13 174.4 0.2 A 65 GLU CA C 13 54.1 0.2 A 65 GLU CB C 13 34.0 0.2 A 65 GLU CG C 13 36.7 0.2 A 65 GLU N N 15 118.8 0.2 A 66 LEU H H 1 8.03 0.02 A 66 LEU HA H 1 4.92 0.02 A 66 LEU HBx H 1 0.80 0.02 A 66 LEU HBy H 1 1.36 0.02 A 66 LEU HD1% H 1 0.57 0.02 A 66 LEU HD2% H 1 0.61 0.02 A 66 LEU HG H 1 1.57 0.02 A 66 LEU C C 13 177.1 0.2 A 66 LEU CA C 13 54.3 0.2 A 66 LEU CB C 13 44.5 0.2 A 66 LEU CD1 C 13 26.4 0.02 A 66 LEU CD2 C 13 22.3 0.02 A 66 LEU CG C 13 26.5 0.2 A 66 LEU N N 15 119.0 0.2 A 67 TRP H H 1 8.98 0.02 A 67 TRP HA H 1 5.14 0.02 A 67 TRP HBx H 1 2.74 0.02 A 67 TRP HBy H 1 2.99 0.02 A 67 TRP HD1 H 1 7.56 0.02 A 67 TRP HE1 H 1 10.06 0.02 A 67 TRP HE3 H 1 7.14 0.02 A 67 TRP HH2 H 1 7.00 0.02 A 67 TRP HZ2 H 1 7.52 0.02 A 67 TRP HZ3 H 1 7.02 0.02 A 67 TRP C C 13 174.4 0.2 A 67 TRP CA C 13 55.1 0.2 A 67 TRP CB C 13 31.8 0.2 A 67 TRP CD1 C 13 129.1 0.2 A 67 TRP CE3 C 13 120.4 0.2 A 67 TRP CH2 C 13 123.7 0.2 A 67 TRP CZ2 C 13 114.8 0.2 A 67 TRP CZ3 C 13 123.2 0.2 A 67 TRP N N 15 122.2 0.2 A 67 TRP NE1 N 15 130.7 0.2 A 68 VAL H H 1 9.49 0.02 A 68 VAL HA H 1 4.99 0.02 A 68 VAL HB H 1 1.16 0.02 A 68 VAL HG1% H 1 0.97 0.02 A 68 VAL HG2% H 1 0.76 0.02 A 68 VAL C C 13 173.0 0.2 A 68 VAL CA C 13 58.5 0.2 A 68 VAL CB C 13 34.3 0.2 A 68 VAL CG1 C 13 20.1 0.02 A 68 VAL CG2 C 13 22.0 0.02 A 68 VAL N N 15 120.9 0.2 A 69 ALA H H 1 8.55 0.02 A 69 ALA HA H 1 5.28 0.02 A 69 ALA HB% H 1 1.18 0.02 A 69 ALA C C 13 178.0 0.2 A 69 ALA CA C 13 49.2 0.2 A 69 ALA CB C 13 19.7 0.2 A 69 ALA N N 15 130.0 0.2 A 70 SER H H 1 9.47 0.02 A 70 SER HA H 1 4.54 0.02 A 70 SER HBx H 1 4.16 0.02 A 70 SER HBy H 1 4.35 0.02 A 70 SER CA C 13 55.7 0.2 A 70 SER CB C 13 64.4 0.2 A 70 SER N N 15 118.1 0.2 A 71 PRO HA H 1 4.54 0.02 A 71 PRO HBx H 1 1.94 0.02 A 71 PRO HBy H 1 2.28 0.02 A 71 PRO HDx H 1 3.61 0.02 A 71 PRO HDy H 1 3.99 0.02 A 71 PRO HGx H 1 1.87 0.02 A 71 PRO HGy H 1 1.96 0.02 A 71 PRO C C 13 176.7 0.2 A 71 PRO CA C 13 64.0 0.2 A 71 PRO CB C 13 32.3 0.2 A 71 PRO CD C 13 51.1 0.2 A 71 PRO CG C 13 27.5 0.2 A 72 LEU H H 1 7.85 0.02 A 72 LEU HA H 1 4.33 0.02 A 72 LEU HBx H 1 0.79 0.02 A 72 LEU HBy H 1 1.92 0.02 A 72 LEU HD1% H 1 0.72 0.02 A 72 LEU HD2% H 1 0.56 0.02 A 72 LEU HG H 1 1.39 0.02 A 72 LEU CA C 13 56.2 0.2 A 72 LEU CB C 13 38.5 0.2 A 72 LEU CD1 C 13 26.2 0.02 A 72 LEU CD2 C 13 21.6 0.02 A 72 LEU CG C 13 27.0 0.2 A 72 LEU N N 15 119.3 0.2 A 73 LYS HA H 1 4.47 0.02 A 73 LYS HBx H 1 1.95 0.02 A 73 LYS HBy H 1 2.03 0.02 A 73 LYS HD2 H 1 1.64 0.02 A 73 LYS HD3 H 1 1.64 0.02 A 73 LYS HE2 H 1 2.93 0.02 A 73 LYS HE3 H 1 2.93 0.02 A 73 LYS HGx H 1 1.23 0.02 A 73 LYS HGy H 1 1.60 0.02 A 73 LYS C C 13 176.6 0.2 A 73 LYS CA C 13 54.6 0.2 A 73 LYS CB C 13 31.7 0.2 A 73 LYS CD C 13 28.4 0.2 A 73 LYS CE C 13 42.1 0.2 A 73 LYS CG C 13 25.6 0.2 A 74 LYS H H 1 7.24 0.02 A 74 LYS HA H 1 4.44 0.02 A 74 LYS HB2 H 1 1.91 0.02 A 74 LYS HB3 H 1 1.91 0.02 A 74 LYS HDx H 1 1.51 0.02 A 74 LYS HDy H 1 1.63 0.02 A 74 LYS HE2 H 1 2.87 0.02 A 74 LYS HE3 H 1 2.87 0.02 A 74 LYS HG2 H 1 1.24 0.02 A 74 LYS HG3 H 1 1.24 0.02 A 74 LYS C C 13 175.5 0.2 A 74 LYS CA C 13 57.8 0.2 A 74 LYS CB C 13 28.6 0.2 A 74 LYS CD C 13 29.0 0.2 A 74 LYS CE C 13 42.0 0.2 A 74 LYS CG C 13 25.0 0.2 A 74 LYS N N 15 110.9 0.2 A 75 GLN H H 1 8.08 0.02 A 75 GLN HA H 1 4.03 0.02 A 75 GLN HBx H 1 1.47 0.02 A 75 GLN HBy H 1 1.82 0.02 A 75 GLN HE2x H 1 5.24 0.02 A 75 GLN HE2y H 1 6.19 0.02 A 75 GLN HG2 H 1 1.80 0.02 A 75 GLN HG3 H 1 1.80 0.02 A 75 GLN C C 13 174.5 0.2 A 75 GLN CA C 13 58.4 0.2 A 75 GLN CB C 13 27.4 0.2 A 75 GLN CG C 13 34.1 0.2 A 75 GLN N N 15 119.1 0.2 A 75 GLN NE2 N 15 106.9 0.2 A 76 ARG H H 1 9.80 0.02 A 76 ARG HA H 1 5.31 0.02 A 76 ARG HBx H 1 1.51 0.02 A 76 ARG HBy H 1 1.59 0.02 A 76 ARG HDx H 1 2.76 0.02 A 76 ARG HDy H 1 2.98 0.02 A 76 ARG HE H 1 7.71 0.02 A 76 ARG HGx H 1 1.32 0.02 A 76 ARG HGy H 1 1.47 0.02 A 76 ARG C C 13 175.8 0.2 A 76 ARG CA C 13 55.3 0.2 A 76 ARG CB C 13 33.1 0.2 A 76 ARG CD C 13 42.0 0.2 A 76 ARG CG C 13 28.0 0.2 A 76 ARG N N 15 122.8 0.2 A 76 ARG NE N 15 84.7 0.2 A 77 PHE H H 1 9.22 0.02 A 77 PHE HA H 1 5.63 0.02 A 77 PHE HBx H 1 2.67 0.02 A 77 PHE HBy H 1 2.77 0.02 A 77 PHE HD1 H 1 7.35 0.02 A 77 PHE HD2 H 1 7.35 0.02 A 77 PHE HE1 H 1 7.37 0.02 A 77 PHE HE2 H 1 7.37 0.02 A 77 PHE HZ H 1 7.18 0.02 A 77 PHE C C 13 175.3 0.2 A 77 PHE CA C 13 55.8 0.2 A 77 PHE CB C 13 41.3 0.2 A 77 PHE CD1 C 13 131.7 0.02 A 77 PHE CD2 C 13 131.7 0.02 A 77 PHE CE1 C 13 132.4 0.02 A 77 PHE CE2 C 13 132.4 0.02 A 77 PHE CZ C 13 129.4 0.2 A 77 PHE N N 15 119.4 0.2 A 78 ARG H H 1 9.87 0.02 A 78 ARG HA H 1 3.49 0.02 A 78 ARG HBx H 1 0.06 0.02 A 78 ARG HBy H 1 1.86 0.02 A 78 ARG HDx H 1 2.12 0.02 A 78 ARG HDy H 1 2.71 0.02 A 78 ARG HE H 1 7.65 0.02 A 78 ARG HGy H 1 1.47 0.02 A 78 ARG HGx H 1 0.48 0.02 A 78 ARG HH11 H 1 6.68 0.02 A 78 ARG HH12 H 1 6.68 0.02 A 78 ARG C C 13 177.4 0.2 A 78 ARG CA C 13 58.1 0.2 A 78 ARG CB C 13 30.5 0.2 A 78 ARG CD C 13 43.9 0.2 A 78 ARG CG C 13 25.7 0.2 A 78 ARG N N 15 130.1 0.2 A 78 ARG NE N 15 82.7 0.2 A 78 ARG NH1 N 15 72.4 0.02 A 79 LEU H H 1 7.86 0.02 A 79 LEU HA H 1 3.79 0.02 A 79 LEU HBx H 1 0.80 0.02 A 79 LEU HBy H 1 0.88 0.02 A 79 LEU HD1% H 1 0.21 0.02 A 79 LEU HD2% H 1 0.23 0.02 A 79 LEU HG H 1 1.03 0.02 A 79 LEU C C 13 177.5 0.2 A 79 LEU CA C 13 57.6 0.2 A 79 LEU CB C 13 39.6 0.2 A 79 LEU CD1 C 13 25.3 0.02 A 79 LEU CD2 C 13 23.0 0.02 A 79 LEU CG C 13 27.1 0.2 A 79 LEU N N 15 125.3 0.2 A 80 SER H H 1 8.00 0.02 A 80 SER HA H 1 4.20 0.02 A 80 SER HBx H 1 3.71 0.02 A 80 SER HBy H 1 3.90 0.02 A 80 SER C C 13 176.6 0.2 A 80 SER CA C 13 60.1 0.2 A 80 SER CB C 13 62.5 0.2 A 80 SER N N 15 109.7 0.2 A 81 ASP H H 1 7.10 0.02 A 81 ASP HA H 1 4.09 0.02 A 81 ASP HBx H 1 2.34 0.02 A 81 ASP HBy H 1 2.78 0.02 A 81 ASP C C 13 175.9 0.2 A 81 ASP CA C 13 53.5 0.2 A 81 ASP CB C 13 41.9 0.2 A 81 ASP N N 15 117.3 0.2 A 82 GLY H H 1 8.86 0.02 A 82 GLY HAx H 1 3.59 0.02 A 82 GLY HAy H 1 4.81 0.02 A 82 GLY C C 13 173.7 0.2 A 82 GLY CA C 13 45.9 0.2 A 82 GLY N N 15 111.3 0.2 A 83 LEU H H 1 7.43 0.02 A 83 LEU HA H 1 4.29 0.02 A 83 LEU HBx H 1 1.57 0.02 A 83 LEU HBy H 1 1.67 0.02 A 83 LEU HD1% H 1 1.03 0.02 A 83 LEU HD2% H 1 1.01 0.02 A 83 LEU HG H 1 1.47 0.02 A 83 LEU C C 13 176.6 0.2 A 83 LEU CA C 13 56.2 0.2 A 83 LEU CB C 13 43.1 0.2 A 83 LEU CD1 C 13 23.7 0.02 A 83 LEU CD2 C 13 26.0 0.02 A 83 LEU CG C 13 27.0 0.2 A 83 LEU N N 15 120.8 0.2 A 84 CYS H H 1 8.08 0.02 A 84 CYS HA H 1 5.29 0.02 A 84 CYS HBx H 1 3.07 0.02 A 84 CYS HBy H 1 3.13 0.02 A 84 CYS C C 13 175.3 0.2 A 84 CYS CA C 13 56.6 0.2 A 84 CYS CB C 13 27.8 0.2 A 84 CYS N N 15 126.3 0.2 A 85 MET H H 1 8.76 0.02 A 85 MET HA H 1 3.63 0.02 A 85 MET HBx H 1 1.57 0.02 A 85 MET HBy H 1 1.66 0.02 A 85 MET HE% H 1 0.27 0.02 A 85 MET HG2 H 1 1.84 0.02 A 85 MET HG3 H 1 1.84 0.02 A 85 MET C C 13 177.5 0.2 A 85 MET CA C 13 58.8 0.2 A 85 MET CB C 13 33.8 0.2 A 85 MET CE C 13 14.6 0.2 A 85 MET CG C 13 30.6 0.2 A 85 MET N N 15 130.5 0.2 A 86 GLU H H 1 9.16 0.02 A 86 GLU HA H 1 3.77 0.02 A 86 GLU HB2 H 1 1.84 0.02 A 86 GLU HB3 H 1 1.84 0.02 A 86 GLU HGx H 1 2.12 0.02 A 86 GLU HGy H 1 2.42 0.02 A 86 GLU C C 13 177.5 0.2 A 86 GLU CA C 13 60.9 0.2 A 86 GLU CB C 13 29.3 0.2 A 86 GLU CG C 13 38.7 0.2 A 86 GLU N N 15 119.2 0.2 A 87 ASP H H 1 7.08 0.02 A 87 ASP HA H 1 4.59 0.02 A 87 ASP HBx H 1 2.88 0.02 A 87 ASP HBy H 1 2.95 0.02 A 87 ASP CA C 13 54.7 0.2 A 87 ASP CB C 13 41.8 0.2 A 87 ASP N N 15 115.8 0.2 A 88 GLU H H 1 9.34 0.02 A 88 GLU HA H 1 4.29 0.02 A 88 GLU HB2 H 1 2.21 0.02 A 88 GLU HB3 H 1 2.21 0.02 A 88 GLU HG2 H 1 2.37 0.02 A 88 GLU HG3 H 1 2.37 0.02 A 88 GLU C C 13 178.9 0.2 A 88 GLU CA C 13 59.0 0.2 A 88 GLU CB C 13 29.1 0.2 A 88 GLU CG C 13 35.7 0.2 A 88 GLU N N 15 127.4 0.2 A 89 GLN H H 1 8.92 0.02 A 89 GLN HA H 1 4.17 0.02 A 89 GLN HBx H 1 1.86 0.02 A 89 GLN HBy H 1 2.04 0.02 A 89 GLN HE21 H 1 7.87 0.02 A 89 GLN HE22 H 1 6.81 0.02 A 89 GLN HG2 H 1 2.18 0.02 A 89 GLN HG3 H 1 2.18 0.02 A 89 GLN C C 13 176.6 0.2 A 89 GLN CA C 13 57.8 0.2 A 89 GLN CB C 13 28.4 0.2 A 89 GLN CD C 13 180.4 0.2 A 89 GLN CG C 13 34.2 0.2 A 89 GLN N N 15 120.4 0.2 A 89 GLN NE2 N 15 113.6 0.2 A 90 PHE H H 1 8.15 0.02 A 90 PHE HA H 1 4.43 0.02 A 90 PHE HBx H 1 2.77 0.02 A 90 PHE HBy H 1 3.17 0.02 A 90 PHE HD1 H 1 6.56 0.02 A 90 PHE HD2 H 1 6.56 0.02 A 90 PHE HE1 H 1 7.10 0.02 A 90 PHE HE2 H 1 7.10 0.02 A 90 PHE HZ H 1 7.34 0.02 A 90 PHE C C 13 172.6 0.2 A 90 PHE CA C 13 57.8 0.2 A 90 PHE CB C 13 39.3 0.2 A 90 PHE CD1 C 13 131.2 0.02 A 90 PHE CD2 C 13 131.2 0.02 A 90 PHE CE1 C 13 131.1 0.02 A 90 PHE CE2 C 13 131.1 0.02 A 90 PHE CZ C 13 131.5 0.2 A 90 PHE N N 15 119.7 0.2 A 91 SER H H 1 7.02 0.02 A 91 SER HA H 1 4.87 0.02 A 91 SER HBx H 1 3.82 0.02 A 91 SER HBy H 1 4.32 0.02 A 91 SER HG H 1 6.28 0.02 A 91 SER C C 13 174.1 0.2 A 91 SER CA C 13 60.9 0.2 A 91 SER CB C 13 63.6 0.2 A 91 SER N N 15 112.7 0.2 A 92 VAL H H 1 9.12 0.02 A 92 VAL HA H 1 4.81 0.02 A 92 VAL HB H 1 2.36 0.02 A 92 VAL HG1% H 1 0.96 0.02 A 92 VAL HG2% H 1 1.01 0.02 A 92 VAL C C 13 175.7 0.2 A 92 VAL CA C 13 59.2 0.2 A 92 VAL CB C 13 35.7 0.2 A 92 VAL CG1 C 13 22.1 0.02 A 92 VAL CG2 C 13 19.2 0.02 A 92 VAL N N 15 116.9 0.2 A 93 LYS H H 1 8.39 0.02 A 93 LYS HA H 1 4.01 0.02 A 93 LYS HBy H 1 1.65 0.02 A 93 LYS HBx H 1 1.49 0.02 A 93 LYS HD2 H 1 1.57 0.02 A 93 LYS HD3 H 1 1.57 0.02 A 93 LYS HEx H 1 2.62 0.02 A 93 LYS HEy H 1 2.77 0.02 A 93 LYS HGx H 1 0.88 0.02 A 93 LYS HGy H 1 1.30 0.02 A 93 LYS C C 13 174.8 0.2 A 93 LYS CA C 13 57.7 0.2 A 93 LYS CB C 13 34.0 0.2 A 93 LYS CD C 13 29.6 0.2 A 93 LYS CE C 13 42.1 0.2 A 93 LYS CG C 13 25.5 0.2 A 93 LYS N N 15 120.3 0.2 A 94 HIS H H 1 8.03 0.02 A 94 HIS HA H 1 5.06 0.02 A 94 HIS HBx H 1 2.85 0.02 A 94 HIS HBy H 1 3.17 0.02 A 94 HIS HD2 H 1 7.17 0.02 A 94 HIS HE1 H 1 8.36 0.02 A 94 HIS C C 13 172.6 0.2 A 94 HIS CA C 13 54.7 0.2 A 94 HIS CB C 13 31.4 0.2 A 94 HIS CD2 C 13 121.8 0.2 A 94 HIS CE1 C 13 137.7 0.2 A 94 HIS N N 15 121.0 0.2 A 95 TYR H H 1 7.61 0.02 A 95 TYR HA H 1 4.41 0.02 A 95 TYR HBx H 1 2.24 0.02 A 95 TYR HBy H 1 2.81 0.02 A 95 TYR HD1 H 1 6.63 0.02 A 95 TYR HD2 H 1 6.63 0.02 A 95 TYR HE1 H 1 6.46 0.02 A 95 TYR HE2 H 1 6.46 0.02 A 95 TYR C C 13 173.6 0.2 A 95 TYR CA C 13 56.4 0.2 A 95 TYR CB C 13 40.9 0.2 A 95 TYR CD1 C 13 133.2 0.02 A 95 TYR CD2 C 13 133.2 0.02 A 95 TYR CE1 C 13 117.3 0.02 A 95 TYR CE2 C 13 117.3 0.02 A 95 TYR N N 15 121.8 0.2 A 96 GLU H H 1 8.48 0.02 A 96 GLU HA H 1 4.42 0.02 A 96 GLU HBx H 1 1.70 0.02 A 96 GLU HBy H 1 2.05 0.02 A 96 GLU HG2 H 1 2.35 0.02 A 96 GLU HG3 H 1 2.35 0.02 A 96 GLU C C 13 174.3 0.2 A 96 GLU CA C 13 56.6 0.2 A 96 GLU CB C 13 30.7 0.2 A 96 GLU CG C 13 36.9 0.2 A 96 GLU N N 15 122.2 0.2 A 97 ALA H H 1 8.42 0.02 A 97 ALA HA H 1 5.94 0.02 A 97 ALA HB% H 1 1.18 0.02 A 97 ALA C C 13 176.1 0.2 A 97 ALA CA C 13 50.4 0.2 A 97 ALA CB C 13 23.7 0.2 A 97 ALA N N 15 124.1 0.2 A 98 ARG H H 1 9.00 0.02 A 98 ARG HA H 1 4.64 0.02 A 98 ARG HB2 H 1 1.53 0.02 A 98 ARG HB3 H 1 1.53 0.02 A 98 ARG HDx H 1 1.60 0.02 A 98 ARG HDy H 1 2.27 0.02 A 98 ARG HE H 1 6.31 0.02 A 98 ARG HGx H 1 0.51 0.02 A 98 ARG HGy H 1 0.67 0.02 A 98 ARG C C 13 172.1 0.2 A 98 ARG CA C 13 54.2 0.2 A 98 ARG CB C 13 32.8 0.2 A 98 ARG CD C 13 42.9 0.2 A 98 ARG CG C 13 24.6 0.2 A 98 ARG N N 15 118.4 0.2 A 98 ARG NE N 15 84.3 0.2 A 99 VAL H H 1 8.33 0.02 A 99 VAL HA H 1 4.72 0.02 A 99 VAL HB H 1 1.84 0.02 A 99 VAL HG1% H 1 0.61 0.02 A 99 VAL HG2% H 1 0.90 0.02 A 99 VAL C C 13 175.2 0.2 A 99 VAL CA C 13 61.1 0.2 A 99 VAL CB C 13 32.7 0.2 A 99 VAL CG1 C 13 21.4 0.02 A 99 VAL CG2 C 13 23.5 0.02 A 99 VAL N N 15 119.5 0.2 A 100 LYS H H 1 9.07 0.02 A 100 LYS HA H 1 4.46 0.02 A 100 LYS HBx H 1 1.02 0.02 A 100 LYS HBy H 1 1.49 0.02 A 100 LYS HDx H 1 1.37 0.02 A 100 LYS HDy H 1 1.45 0.02 A 100 LYS HE2 H 1 2.81 0.02 A 100 LYS HE3 H 1 2.81 0.02 A 100 LYS HGx H 1 1.03 0.02 A 100 LYS HGy H 1 1.12 0.02 A 100 LYS C C 13 175.7 0.2 A 100 LYS CA C 13 54.3 0.2 A 100 LYS CB C 13 34.8 0.2 A 100 LYS CD C 13 28.9 0.2 A 100 LYS CE C 13 42.0 0.2 A 100 LYS CG C 13 24.6 0.2 A 100 LYS N N 15 130.2 0.2 A 101 ASP H H 1 9.56 0.02 A 101 ASP HA H 1 4.21 0.02 A 101 ASP HBx H 1 2.57 0.02 A 101 ASP HBy H 1 2.82 0.02 A 101 ASP C C 13 175.8 0.2 A 101 ASP CA C 13 55.5 0.2 A 101 ASP CB C 13 39.7 0.2 A 101 ASP N N 15 130.6 0.2 A 102 GLY H H 1 8.26 0.02 A 102 GLY HAx H 1 3.45 0.02 A 102 GLY HAy H 1 4.17 0.02 A 102 GLY C C 13 173.3 0.2 A 102 GLY CA C 13 45.3 0.2 A 102 GLY N N 15 101.9 0.2 A 103 VAL H H 1 7.90 0.02 A 103 VAL HA H 1 4.27 0.02 A 103 VAL HB H 1 2.05 0.02 A 103 VAL HG1% H 1 0.82 0.02 A 103 VAL HG2% H 1 0.83 0.02 A 103 VAL C C 13 175.1 0.2 A 103 VAL CA C 13 62.1 0.2 A 103 VAL CB C 13 34.1 0.2 A 103 VAL CG1 C 13 20.4 0.02 A 103 VAL CG2 C 13 21.8 0.02 A 103 VAL N N 15 123.8 0.2 A 104 VAL H H 1 9.29 0.02 A 104 VAL HA H 1 4.22 0.02 A 104 VAL HB H 1 2.21 0.02 A 104 VAL HG1% H 1 0.73 0.02 A 104 VAL HG2% H 1 0.74 0.02 A 104 VAL C C 13 174.3 0.2 A 104 VAL CA C 13 62.7 0.2 A 104 VAL CB C 13 31.5 0.2 A 104 VAL CG1 C 13 21.2 0.02 A 104 VAL CG2 C 13 22.6 0.02 A 104 VAL N N 15 127.3 0.2 A 105 GLN H H 1 9.41 0.02 A 105 GLN HA H 1 5.72 0.02 A 105 GLN HBx H 1 1.76 0.02 A 105 GLN HBy H 1 1.90 0.02 A 105 GLN HE21 H 1 7.92 0.02 A 105 GLN HE22 H 1 6.48 0.02 A 105 GLN HGx H 1 2.16 0.02 A 105 GLN HGy H 1 2.32 0.02 A 105 GLN C C 13 174.9 0.2 A 105 GLN CA C 13 53.4 0.2 A 105 GLN CB C 13 34.6 0.2 A 105 GLN CD C 13 178.9 0.2 A 105 GLN CG C 13 33.2 0.2 A 105 GLN N N 15 126.5 0.2 A 105 GLN NE2 N 15 111.6 0.2 A 106 LEU H H 1 8.53 0.02 A 106 LEU HA H 1 5.76 0.02 A 106 LEU HB2 H 1 1.44 0.02 A 106 LEU HB3 H 1 1.44 0.02 A 106 LEU HD1% H 1 0.60 0.02 A 106 LEU HD2% H 1 0.71 0.02 A 106 LEU HG H 1 1.56 0.02 A 106 LEU C C 13 176.3 0.2 A 106 LEU CA C 13 52.8 0.2 A 106 LEU CB C 13 48.9 0.2 A 106 LEU CD1 C 13 25.7 0.02 A 106 LEU CD2 C 13 24.9 0.02 A 106 LEU CG C 13 27.5 0.2 A 106 LEU N N 15 118.9 0.2 A 107 ARG H H 1 8.31 0.02 A 107 ARG HA H 1 4.23 0.02 A 107 ARG HBx H 1 0.48 0.02 A 107 ARG HBy H 1 1.07 0.02 A 107 ARG HDx H 1 1.36 0.02 A 107 ARG HDy H 1 2.22 0.02 A 107 ARG HE H 1 6.35 0.02 A 107 ARG HG2 H 1 0.47 0.02 A 107 ARG HG3 H 1 0.47 0.02 A 107 ARG C C 13 174.8 0.2 A 107 ARG CA C 13 55.7 0.2 A 107 ARG CB C 13 31.9 0.2 A 107 ARG CD C 13 43.1 0.2 A 107 ARG CG C 13 25.5 0.2 A 107 ARG N N 15 119.9 0.2 A 107 ARG NE N 15 85.0 0.2 A 108 GLY H H 1 8.39 0.02 A 108 GLY HAx H 1 3.88 0.02 A 108 GLY HAy H 1 4.13 0.02 A 108 GLY C C 13 173.5 0.2 A 108 GLY CA C 13 45.0 0.2 A 108 GLY N N 15 110.0 0.2 A 109 GLY H H 1 8.28 0.02 A 109 GLY HAx H 1 3.85 0.02 A 109 GLY HAy H 1 3.95 0.02 A 109 GLY C C 13 173.2 0.2 A 109 GLY CA C 13 45.1 0.2 A 109 GLY N N 15 108.4 0.2 A 110 SER H H 1 8.01 0.02 A 110 SER HA H 1 4.23 0.02 A 110 SER HB2 H 1 3.80 0.02 A 110 SER HB3 H 1 3.80 0.02 A 110 SER CA C 13 59.9 0.2 A 110 SER CB C 13 64.8 0.2 A 110 SER N N 15 121.4 0.2 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 noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 SER HA A 107 ARG HBx 1.0 1.8 5.0 2 1 A 2 SER HA A 107 ARG HBy 1.0 1.8 5.0 3 2 A 2 SER HA A 107 ARG HDy 1.0 1.8 5.0 4 3 A 2 SER HA A 107 ARG HDx 1.0 1.8 5.0 5 4 A 2 SER HA A 107 ARG HG2 1.0 1.8 5.0 6 4 A 2 SER HA A 107 ARG HG3 1.0 1.8 5.0 7 5 A 107 ARG HBy A 2 SER HBy 1.0 1.8 5.0 8 5 A 2 SER HBy A 107 ARG HBx 1.0 1.8 5.0 9 6 A 107 ARG HBy A 2 SER HBx 1.0 1.8 5.0 10 6 A 2 SER HBx A 107 ARG HBx 1.0 1.8 5.0 11 7 A 2 SER HBx A 107 ARG HG2 1.0 1.8 5.0 12 7 A 2 SER HBy A 107 ARG HG2 1.0 1.8 5.0 13 7 A 107 ARG HG3 A 2 SER HBy 1.0 1.8 5.0 14 7 A 107 ARG HG3 A 2 SER HBx 1.0 1.8 5.0 15 8 A 4 TRP H A 2 SER HBy 1.0 1.8 5.0 16 8 A 2 SER HBx A 4 TRP H 1.0 1.8 5.0 17 9 A 4 TRP H A 3 GLN HA 1.0 1.8 2.9 18 10 A 4 TRP HA A 105 GLN HBy 1.0 1.8 5.0 19 10 A 4 TRP HA A 105 GLN HBx 1.0 1.8 5.0 20 11 A 4 TRP HA A 106 LEU H 1.0 1.8 5.0 21 12 A 4 TRP HA A 107 ARG HA 1.0 1.8 5.0 22 13 A 4 TRP HA A 107 ARG HBx 1.0 1.8 5.0 23 13 A 107 ARG HBy A 4 TRP HA 1.0 1.8 5.0 24 14 A 4 TRP HA A 107 ARG HDy 1.0 1.8 5.0 25 14 A 4 TRP HA A 107 ARG HDx 1.0 1.8 5.0 26 15 A 4 TRP HA A 107 ARG HG2 1.0 1.8 5.0 27 15 A 107 ARG HG3 A 4 TRP HA 1.0 1.8 5.0 28 16 A 4 TRP HA A 108 GLY H 1.0 1.8 5.0 29 17 A 4 TRP HA A 5 LYS H 1.0 1.8 2.9 30 18 A 105 GLN HBx A 4 TRP HBy 1.0 1.8 5.0 31 18 A 4 TRP HBy A 105 GLN HBy 1.0 1.8 5.0 32 19 A 105 GLN HBx A 4 TRP HBx 1.0 1.8 5.0 33 19 A 4 TRP HBx A 105 GLN HBy 1.0 1.8 5.0 34 20 A 105 GLN HA A 4 TRP HBy 1.0 1.8 5.0 35 20 A 4 TRP HBx A 105 GLN HA 1.0 1.8 5.0 36 21 A 105 GLN HE21 A 4 TRP HBy 1.0 1.8 5.0 37 21 A 4 TRP HBx A 105 GLN HE22 1.0 1.8 5.0 38 21 A 4 TRP HBx A 105 GLN HE21 1.0 1.8 5.0 39 21 A 105 GLN HE22 A 4 TRP HBy 1.0 1.8 5.0 40 22 A 106 LEU H A 4 TRP HBy 1.0 1.8 5.0 41 22 A 106 LEU H A 4 TRP HBx 1.0 1.8 5.0 42 23 A 4 TRP HD1 A 107 ARG HDy 1.0 1.8 5.0 43 23 A 107 ARG HDx A 4 TRP HD1 1.0 1.8 5.0 44 24 A 4 TRP HE1 A 107 ARG HBx 1.0 1.8 5.0 45 24 A 107 ARG HBy A 4 TRP HE1 1.0 1.8 5.0 46 25 A 4 TRP HE1 A 107 ARG HDy 1.0 1.8 5.0 47 26 A 107 ARG HDx A 4 TRP HE1 1.0 1.8 5.0 48 27 A 4 TRP HE1 A 107 ARG HE 1.0 1.8 5.0 49 28 A 4 TRP HE3 A 105 GLN HBy 1.0 1.8 5.0 50 29 A 105 GLN HBx A 4 TRP HE3 1.0 1.8 5.0 51 30 A 4 TRP HE3 A 106 LEU HA 1.0 1.8 5.0 52 31 A 107 ARG HA A 4 TRP HE3 1.0 1.8 5.0 53 32 A 107 ARG HBy A 4 TRP HE3 1.0 1.8 5.0 54 33 A 4 TRP HE3 A 107 ARG HBx 1.0 1.8 5.0 55 34 A 4 TRP HE3 A 107 ARG H 1.0 1.8 5.0 56 35 A 4 TRP HE3 A 97 ALA HA 1.0 1.8 5.0 57 36 A 4 TRP HE3 A 98 ARG HGx 1.0 1.8 5.0 58 36 A 4 TRP HE3 A 98 ARG HGy 1.0 1.8 5.0 59 37 A 4 TRP HH2 A 96 GLU HBy 1.0 1.8 5.0 60 38 A 4 TRP HH2 A 96 GLU HBx 1.0 1.8 5.0 61 39 A 4 TRP HH2 A 96 GLU HG2 1.0 1.8 5.0 62 39 A 4 TRP HH2 A 96 GLU HG3 1.0 1.8 5.0 63 40 A 97 ALA HA A 4 TRP HH2 1.0 1.8 5.0 64 41 A 4 TRP HH2 A 97 ALA H 1.0 1.8 5.0 65 42 A 4 TRP HH2 A 98 ARG HDx 1.0 1.8 5.0 66 42 A 4 TRP HH2 A 98 ARG HDy 1.0 1.8 5.0 67 43 A 4 TRP H A 107 ARG HBx 1.0 1.8 5.0 68 43 A 107 ARG HBy A 4 TRP H 1.0 1.8 5.0 69 44 A 4 TRP H A 107 ARG HDy 1.0 1.8 5.0 70 44 A 4 TRP H A 107 ARG HDx 1.0 1.8 5.0 71 45 A 4 TRP HZ2 A 107 ARG HDy 1.0 1.8 5.0 72 46 A 107 ARG HDx A 4 TRP HZ2 1.0 1.8 5.0 73 47 A 4 TRP HZ2 A 107 ARG HG2 1.0 1.8 5.0 74 47 A 107 ARG HG3 A 4 TRP HZ2 1.0 1.8 5.0 75 48 A 4 TRP HZ2 A 96 GLU HBx 1.0 1.8 5.0 76 48 A 4 TRP HZ2 A 96 GLU HBy 1.0 1.8 5.0 77 49 A 4 TRP HZ2 A 98 ARG HDx 1.0 1.8 5.0 78 49 A 98 ARG HDy A 4 TRP HZ2 1.0 1.8 5.0 79 50 A 106 LEU HA A 4 TRP HZ3 1.0 1.8 5.0 80 51 A 107 ARG H A 4 TRP HZ3 1.0 1.8 5.0 81 52 A 4 TRP HZ3 A 96 GLU HBx 1.0 1.8 5.0 82 52 A 96 GLU HBy A 4 TRP HZ3 1.0 1.8 5.0 83 53 A 97 ALA HA A 4 TRP HZ3 1.0 1.8 5.0 84 54 A 4 TRP HZ3 A 97 ALA HB% 1.0 1.8 5.0 85 55 A 97 ALA H A 4 TRP HZ3 1.0 1.8 5.0 86 56 A 4 TRP HZ3 A 98 ARG HGx 1.0 1.8 5.0 87 56 A 98 ARG HGy A 4 TRP HZ3 1.0 1.8 5.0 88 57 A 4 TRP HZ3 A 98 ARG H 1.0 1.8 5.0 89 58 A 5 LYS HA A 6 ASP H 1.0 1.8 2.9 90 59 A 5 LYS HA A 7 ILE HD1% 1.0 1.8 5.0 91 60 A 23 LEU HD1% A 5 LYS HBy 1.0 1.8 5.0 92 61 A 23 LEU HD1% A 5 LYS HBx 1.0 1.8 5.0 93 62 A 106 LEU H A 5 LYS HBy 1.0 1.8 5.0 94 62 A 106 LEU H A 5 LYS HBx 1.0 1.8 5.0 95 63 A 7 ILE HD1% A 5 LYS HBy 1.0 1.8 5.0 96 63 A 7 ILE HD1% A 5 LYS HBx 1.0 1.8 5.0 97 64 A 23 LEU HA A 5 LYS HDx 1.0 1.8 5.0 98 64 A 5 LYS HDy A 23 LEU HA 1.0 1.8 5.0 99 65 A 7 ILE HD1% A 5 LYS HDx 1.0 1.8 5.0 100 65 A 7 ILE HD1% A 5 LYS HDy 1.0 1.8 5.0 101 66 A 7 ILE HD1% A 5 LYS HE2 1.0 1.8 5.0 102 66 A 7 ILE HD1% A 5 LYS HE3 1.0 1.8 5.0 103 67 A 23 LEU HA A 5 LYS HG2 1.0 1.8 5.0 104 67 A 23 LEU HA A 5 LYS HG3 1.0 1.8 5.0 105 68 A 7 ILE HD1% A 5 LYS HG2 1.0 1.8 5.0 106 68 A 7 ILE HD1% A 5 LYS HG3 1.0 1.8 5.0 107 69 A 5 LYS H A 105 GLN HA 1.0 1.8 5.0 108 70 A 106 LEU H A 5 LYS H 1.0 1.8 5.0 109 71 A 107 ARG HA A 5 LYS H 1.0 1.8 5.0 110 72 A 5 LYS H A 107 ARG HBx 1.0 1.8 5.0 111 72 A 107 ARG HBy A 5 LYS H 1.0 1.8 5.0 112 73 A 5 LYS H A 23 LEU HD1% 1.0 1.8 5.0 113 74 A 6 ASP HA A 103 VAL HG1% 1.0 1.8 5.0 114 75 A 105 GLN HA A 6 ASP HA 1.0 1.8 5.0 115 76 A 6 ASP HA A 105 GLN HE22 1.0 1.8 5.0 116 76 A 6 ASP HA A 105 GLN HE21 1.0 1.8 5.0 117 77 A 6 ASP HA A 105 GLN HGx 1.0 1.8 5.0 118 77 A 6 ASP HA A 105 GLN HGy 1.0 1.8 5.0 119 78 A 106 LEU H A 6 ASP HA 1.0 1.8 5.0 120 79 A 6 ASP HA A 7 ILE H 1.0 1.8 2.9 121 80 A 6 ASP HA A 8 CYS H 1.0 1.8 5.0 122 81 A 103 VAL HG1% A 6 ASP HBx 1.0 1.8 5.0 123 81 A 103 VAL HG1% A 6 ASP HBy 1.0 1.8 5.0 124 82 A 6 ASP H A 105 GLN HE21 1.0 1.8 5.0 125 83 A 6 ASP H A 105 GLN HE22 1.0 1.8 5.0 126 84 A 6 ASP H A 7 ILE HD1% 1.0 1.8 5.0 127 85 A 7 ILE HB A 104 VAL HB 1.0 1.8 5.0 128 86 A 7 ILE HB A 104 VAL HG1% 1.0 1.8 5.0 129 87 A 7 ILE HB A 104 VAL H 1.0 1.8 5.0 130 88 A 105 GLN HA A 7 ILE HB 1.0 1.8 5.0 131 89 A 7 ILE HB A 21 ALA HB% 1.0 1.8 5.0 132 90 A 7 ILE HB A 30 ILE HD1% 1.0 1.8 5.0 133 91 A 7 ILE HD1% A 104 VAL HB 1.0 1.8 5.0 134 92 A 7 ILE HD1% A 104 VAL HG1% 1.0 1.8 5.0 135 93 A 105 GLN HA A 7 ILE HD1% 1.0 1.8 5.0 136 94 A 7 ILE HD1% A 106 LEU HB2 1.0 1.8 5.0 137 94 A 7 ILE HD1% A 106 LEU HB3 1.0 1.8 5.0 138 95 A 7 ILE HD1% A 106 LEU HD1% 1.0 1.8 5.0 139 96 A 7 ILE HD1% A 106 LEU HG 1.0 1.8 5.0 140 97 A 7 ILE HD1% A 21 ALA HA 1.0 1.8 5.0 141 98 A 7 ILE HD1% A 21 ALA HB% 1.0 1.8 5.0 142 99 A 7 ILE HD1% A 22 LEU H 1.0 1.8 5.0 143 100 A 7 ILE HD1% A 23 LEU HA 1.0 1.8 5.0 144 101 A 7 ILE HD1% A 23 LEU HD1% 1.0 1.8 5.0 145 102 A 7 ILE HD1% A 28 VAL HG1% 1.0 1.8 5.0 146 103 A 7 ILE HD1% A 28 VAL HG2% 1.0 1.8 5.0 147 104 A 7 ILE HD1% A 30 ILE HD1% 1.0 1.8 5.0 148 105 A 104 VAL HG1% A 7 ILE HG1y 1.0 1.8 5.0 149 106 A 105 GLN HA A 7 ILE HG1y 1.0 1.8 5.0 150 107 A 106 LEU H A 7 ILE HG1y 1.0 1.8 5.0 151 108 A 30 ILE HD1% A 7 ILE HG1y 1.0 1.8 5.0 152 109 A 104 VAL HG1% A 7 ILE HG1x 1.0 1.8 5.0 153 110 A 105 GLN HA A 7 ILE HG1x 1.0 1.8 5.0 154 111 A 106 LEU H A 7 ILE HG1x 1.0 1.8 5.0 155 112 A 30 ILE HD1% A 7 ILE HG1x 1.0 1.8 5.0 156 113 A 105 GLN HA A 7 ILE HG1x 1.0 1.8 5.0 157 113 A 105 GLN HA A 7 ILE HG1y 1.0 1.8 5.0 158 114 A 106 LEU HA A 7 ILE HG1x 1.0 1.8 5.0 159 114 A 106 LEU HA A 7 ILE HG1y 1.0 1.8 5.0 160 115 A 104 VAL HB A 7 ILE HG2% 1.0 1.8 5.0 161 116 A 21 ALA HA A 7 ILE HG2% 1.0 1.8 5.0 162 117 A 21 ALA HB% A 7 ILE HG2% 1.0 1.8 5.0 163 118 A 22 LEU H A 7 ILE HG2% 1.0 1.8 5.0 164 119 A 7 ILE HG2% A 8 CYS HA 1.0 1.8 5.0 165 120 A 7 ILE HG2% A 8 CYS HBy 1.0 1.8 5.0 166 121 A 7 ILE HG2% A 8 CYS HBx 1.0 1.8 5.0 167 122 A 103 VAL HG1% A 7 ILE H 1.0 1.8 5.0 168 123 A 7 ILE H A 104 VAL HB 1.0 1.8 5.0 169 124 A 105 GLN HA A 7 ILE H 1.0 1.8 5.0 170 125 A 7 ILE H A 30 ILE HD1% 1.0 1.8 5.0 171 126 A 7 ILE H A 8 CYS H 1.0 1.8 3.5 172 127 A 12 ASP H A 8 CYS HBy 1.0 1.8 5.0 173 127 A 8 CYS HBx A 12 ASP H 1.0 1.8 5.0 174 128 A 8 CYS H A 103 VAL HA 1.0 1.8 5.0 175 129 A 8 CYS H A 104 VAL HB 1.0 1.8 5.0 176 130 A 8 CYS H A 104 VAL HG1% 1.0 1.8 5.0 177 131 A 8 CYS H A 104 VAL HG2% 1.0 1.8 5.0 178 132 A 8 CYS H A 104 VAL H 1.0 1.8 5.0 179 133 A 9 LYS HA A 103 VAL HG2% 1.0 1.8 5.0 180 134 A 104 VAL H A 9 LYS HA 1.0 1.8 5.0 181 135 A 9 LYS HA A 10 ILE H 1.0 1.8 3.5 182 136 A 12 ASP H A 9 LYS HA 1.0 1.8 5.0 183 137 A 11 ASP HBy A 9 LYS HBy 1.0 1.8 5.0 184 137 A 9 LYS HBy A 11 ASP HBx 1.0 1.8 5.0 185 138 A 11 ASP H A 9 LYS HBy 1.0 1.8 5.0 186 139 A 12 ASP H A 9 LYS HBy 1.0 1.8 5.0 187 140 A 11 ASP HBy A 9 LYS HBx 1.0 1.8 5.0 188 140 A 9 LYS HBx A 11 ASP HBx 1.0 1.8 5.0 189 141 A 11 ASP H A 9 LYS HBx 1.0 1.8 5.0 190 142 A 12 ASP H A 9 LYS HBx 1.0 1.8 5.0 191 143 A 103 VAL HA A 9 LYS HBy 1.0 1.8 5.0 192 143 A 103 VAL HA A 9 LYS HBx 1.0 1.8 5.0 193 144 A 104 VAL H A 9 LYS HBy 1.0 1.8 5.0 194 144 A 104 VAL H A 9 LYS HBx 1.0 1.8 5.0 195 145 A 11 ASP HA A 9 LYS HBy 1.0 1.8 5.0 196 145 A 9 LYS HBx A 11 ASP HA 1.0 1.8 5.0 197 146 A 103 VAL HA A 9 LYS HD2 1.0 1.8 5.0 198 146 A 103 VAL HA A 9 LYS HD3 1.0 1.8 5.0 199 147 A 103 VAL HG1% A 9 LYS HD2 1.0 1.8 5.0 200 147 A 103 VAL HG1% A 9 LYS HD3 1.0 1.8 5.0 201 148 A 103 VAL HG2% A 9 LYS HD2 1.0 1.8 5.0 202 148 A 103 VAL HG2% A 9 LYS HD3 1.0 1.8 5.0 203 149 A 9 LYS HD2 A 11 ASP HBx 1.0 1.8 5.0 204 149 A 9 LYS HD3 A 11 ASP HBx 1.0 1.8 5.0 205 150 A 11 ASP HBy A 9 LYS HD2 1.0 1.8 5.0 206 150 A 11 ASP HBy A 9 LYS HD3 1.0 1.8 5.0 207 151 A 11 ASP H A 9 LYS HD2 1.0 1.8 5.0 208 151 A 11 ASP H A 9 LYS HD3 1.0 1.8 5.0 209 152 A 103 VAL HG2% A 9 LYS HE2 1.0 1.8 5.0 210 152 A 103 VAL HG2% A 9 LYS HE3 1.0 1.8 5.0 211 153 A 103 VAL HA A 9 LYS HGx 1.0 1.8 5.0 212 153 A 103 VAL HA A 9 LYS HGy 1.0 1.8 5.0 213 154 A 103 VAL HG2% A 9 LYS HGx 1.0 1.8 5.0 214 154 A 103 VAL HG2% A 9 LYS HGy 1.0 1.8 5.0 215 155 A 104 VAL H A 9 LYS HGx 1.0 1.8 5.0 216 155 A 104 VAL H A 9 LYS HGy 1.0 1.8 5.0 217 156 A 11 ASP H A 9 LYS HGx 1.0 1.8 5.0 218 156 A 11 ASP H A 9 LYS HGy 1.0 1.8 5.0 219 157 A 103 VAL HA A 9 LYS H 1.0 1.8 5.0 220 158 A 104 VAL H A 9 LYS H 1.0 1.8 5.0 221 159 A 11 ASP H A 9 LYS H 1.0 1.8 5.0 222 160 A 9 LYS H A 12 ASP HBy 1.0 1.8 5.0 223 161 A 9 LYS H A 12 ASP HBx 1.0 1.8 5.0 224 162 A 12 ASP H A 9 LYS H 1.0 1.8 5.0 225 163 A 104 VAL HG2% A 10 ILE HA 1.0 1.8 5.0 226 164 A 104 VAL H A 10 ILE HA 1.0 1.8 5.0 227 165 A 10 ILE HA A 32 ARG HDx 1.0 1.8 5.0 228 165 A 10 ILE HA A 32 ARG HDy 1.0 1.8 5.0 229 166 A 10 ILE HA A 39 VAL HG1% 1.0 1.8 5.0 230 167 A 10 ILE HB A 102 GLY HAy 1.0 1.8 5.0 231 167 A 10 ILE HB A 102 GLY HAx 1.0 1.8 5.0 232 168 A 104 VAL HG2% A 10 ILE HB 1.0 1.8 5.0 233 169 A 10 ILE HB A 99 VAL HG1% 1.0 1.8 5.0 234 170 A 10 ILE HB A 99 VAL HG2% 1.0 1.8 5.0 235 171 A 10 ILE HD1% A 104 VAL HA 1.0 1.8 5.0 236 172 A 104 VAL HG2% A 10 ILE HD1% 1.0 1.8 5.0 237 173 A 10 ILE HD1% A 13 ILE HB 1.0 1.8 5.0 238 174 A 10 ILE HD1% A 32 ARG HDx 1.0 1.8 5.0 239 174 A 32 ARG HDy A 10 ILE HD1% 1.0 1.8 5.0 240 175 A 10 ILE HD1% A 32 ARG HE 1.0 1.8 5.0 241 176 A 10 ILE HD1% A 32 ARG HGx 1.0 1.8 5.0 242 176 A 10 ILE HD1% A 32 ARG HGy 1.0 1.8 5.0 243 177 A 10 ILE HD1% A 37 ASP HB2 1.0 1.8 5.0 244 177 A 10 ILE HD1% A 37 ASP HB3 1.0 1.8 5.0 245 178 A 99 VAL HG1% A 10 ILE HD1% 1.0 1.8 5.0 246 179 A 99 VAL HG2% A 10 ILE HD1% 1.0 1.8 5.0 247 180 A 104 VAL HG2% A 10 ILE HG1y 1.0 1.8 5.0 248 181 A 37 ASP HA A 10 ILE HG1y 1.0 1.8 5.0 249 182 A 99 VAL HG1% A 10 ILE HG1y 1.0 1.8 5.0 250 183 A 104 VAL HG2% A 10 ILE HG1x 1.0 1.8 5.0 251 184 A 37 ASP HA A 10 ILE HG1x 1.0 1.8 5.0 252 185 A 99 VAL HG1% A 10 ILE HG1x 1.0 1.8 5.0 253 186 A 104 VAL HG2% A 10 ILE HG1x 1.0 1.8 5.0 254 186 A 104 VAL HG2% A 10 ILE HG1y 1.0 1.8 5.0 255 187 A 10 ILE HG2% A 102 GLY HAy 1.0 1.8 5.0 256 188 A 102 GLY HAx A 10 ILE HG2% 1.0 1.8 5.0 257 189 A 10 ILE HG2% A 102 GLY H 1.0 1.8 5.0 258 190 A 103 VAL HA A 10 ILE HG2% 1.0 1.8 5.0 259 191 A 104 VAL HG2% A 10 ILE HG2% 1.0 1.8 5.0 260 192 A 12 ASP H A 10 ILE HG2% 1.0 1.8 5.0 261 193 A 37 ASP HA A 10 ILE HG2% 1.0 1.8 5.0 262 194 A 10 ILE H A 102 GLY HAy 1.0 1.8 5.0 263 195 A 10 ILE H A 102 GLY HAx 1.0 1.8 5.0 264 196 A 103 VAL HA A 10 ILE H 1.0 1.8 5.0 265 197 A 10 ILE H A 103 VAL H 1.0 1.8 5.0 266 198 A 104 VAL HG2% A 10 ILE H 1.0 1.8 5.0 267 199 A 104 VAL H A 10 ILE H 1.0 1.8 5.0 268 200 A 10 ILE H A 11 ASP HBx 1.0 1.8 5.0 269 200 A 10 ILE H A 11 ASP HBy 1.0 1.8 5.0 270 201 A 10 ILE H A 99 VAL HG1% 1.0 1.8 5.0 271 202 A 11 ASP HA A 13 ILE H 1.0 1.8 5.0 272 203 A 104 VAL HG2% A 11 ASP H 1.0 1.8 5.0 273 204 A 13 ILE H A 12 ASP HA 1.0 1.8 3.5 274 205 A 13 ILE HA A 14 LEU H 1.0 1.8 2.9 275 206 A 13 ILE HA A 17 THR HG1 1.0 1.8 5.0 276 207 A 13 ILE HA A 17 THR HG2% 1.0 1.8 5.0 277 208 A 13 ILE HA A 19 VAL HG1% 1.0 1.8 5.0 278 209 A 104 VAL HB A 13 ILE HD1% 1.0 1.8 5.0 279 210 A 13 ILE HD1% A 19 VAL H 1.0 1.8 5.0 280 211 A 13 ILE HG2% A 17 THR HB 1.0 1.8 5.0 281 212 A 17 THR HG1 A 13 ILE HG2% 1.0 1.8 5.0 282 213 A 17 THR HG2% A 13 ILE HG2% 1.0 1.8 5.0 283 214 A 13 ILE HG2% A 18 GLY HAy 1.0 1.8 5.0 284 215 A 13 ILE HG2% A 18 GLY HAx 1.0 1.8 5.0 285 216 A 13 ILE HG2% A 18 GLY H 1.0 1.8 5.0 286 217 A 13 ILE HG2% A 32 ARG H 1.0 1.8 5.0 287 218 A 17 THR HG1 A 14 LEU HBy 1.0 1.8 5.0 288 219 A 17 THR HG2% A 14 LEU HBy 1.0 1.8 5.0 289 220 A 17 THR HG1 A 14 LEU HBx 1.0 1.8 5.0 290 221 A 17 THR HG2% A 14 LEU HBx 1.0 1.8 5.0 291 222 A 17 THR HG1 A 14 LEU HD1% 1.0 1.8 5.0 292 223 A 17 THR HG1 A 14 LEU HG 1.0 1.8 5.0 293 224 A 17 THR HG2% A 14 LEU HG 1.0 1.8 5.0 294 225 A 14 LEU H A 17 THR HG1 1.0 1.8 5.0 295 226 A 15 PRO HA A 16 GLU H 1.0 1.8 2.9 296 227 A 15 PRO HA A 17 THR H 1.0 1.8 5.0 297 228 A 15 PRO HA A 32 ARG HDx 1.0 1.8 5.0 298 228 A 32 ARG HDy A 15 PRO HA 1.0 1.8 5.0 299 229 A 15 PRO HA A 32 ARG HGx 1.0 1.8 5.0 300 229 A 32 ARG HGy A 15 PRO HA 1.0 1.8 5.0 301 230 A 15 PRO HA A 35 HIS HA 1.0 1.8 5.0 302 231 A 35 HIS HA A 15 PRO HBx 1.0 1.8 5.0 303 231 A 35 HIS HA A 15 PRO HBy 1.0 1.8 5.0 304 232 A 15 PRO HBx A 35 HIS HBx 1.0 1.8 5.0 305 232 A 15 PRO HBy A 35 HIS HBx 1.0 1.8 5.0 306 232 A 35 HIS HBy A 15 PRO HBx 1.0 1.8 5.0 307 232 A 15 PRO HBy A 35 HIS HBy 1.0 1.8 5.0 308 233 A 35 HIS HE1 A 15 PRO HBx 1.0 1.8 5.0 309 233 A 15 PRO HBy A 35 HIS HE1 1.0 1.8 5.0 310 234 A 35 HIS HA A 15 PRO HGy 1.0 1.8 5.0 311 235 A 35 HIS HA A 15 PRO HGx 1.0 1.8 5.0 312 236 A 35 HIS HE1 A 15 PRO HGx 1.0 1.8 5.0 313 236 A 35 HIS HE1 A 15 PRO HGy 1.0 1.8 5.0 314 237 A 17 THR H A 16 GLU HA 1.0 1.8 3.5 315 238 A 16 GLU HA A 33 PRO HA 1.0 1.8 5.0 316 239 A 16 GLU HA A 59 ILE HD1% 1.0 1.8 5.0 317 240 A 34 TYR HA A 16 GLU HGx 1.0 1.8 5.0 318 240 A 16 GLU HGy A 34 TYR HA 1.0 1.8 5.0 319 241 A 16 GLU H A 17 THR H 1.0 1.8 3.5 320 242 A 16 GLU H A 32 ARG HDx 1.0 1.8 5.0 321 242 A 32 ARG HDy A 16 GLU H 1.0 1.8 5.0 322 243 A 16 GLU H A 33 PRO HA 1.0 1.8 5.0 323 244 A 16 GLU H A 59 ILE HD1% 1.0 1.8 5.0 324 245 A 18 GLY H A 17 THR HA 1.0 1.8 2.9 325 246 A 59 ILE HD1% A 17 THR HA 1.0 1.8 5.0 326 247 A 17 THR H A 32 ARG HBx 1.0 1.8 5.0 327 247 A 17 THR H A 32 ARG HBy 1.0 1.8 5.0 328 248 A 17 THR H A 32 ARG HDx 1.0 1.8 5.0 329 248 A 32 ARG HDy A 17 THR H 1.0 1.8 5.0 330 249 A 32 ARG H A 17 THR H 1.0 1.8 5.0 331 250 A 17 THR H A 33 PRO HA 1.0 1.8 5.0 332 251 A 17 THR H A 59 ILE HD1% 1.0 1.8 5.0 333 252 A 19 VAL H A 18 GLY HAy 1.0 1.8 3.5 334 253 A 31 PHE HA A 18 GLY HAy 1.0 1.8 5.0 335 254 A 32 ARG H A 18 GLY HAy 1.0 1.8 5.0 336 255 A 19 VAL H A 18 GLY HAx 1.0 1.8 3.5 337 256 A 31 PHE HA A 18 GLY HAx 1.0 1.8 5.0 338 257 A 32 ARG H A 18 GLY HAx 1.0 1.8 5.0 339 258 A 31 PHE HD% A 18 GLY HAy 1.0 1.8 5.0 340 258 A 18 GLY HAx A 31 PHE HD% 1.0 1.8 5.0 341 259 A 31 PHE H A 18 GLY HAy 1.0 1.8 5.0 342 259 A 18 GLY HAx A 31 PHE H 1.0 1.8 5.0 343 260 A 19 VAL HG1% A 18 GLY H 1.0 1.8 5.0 344 261 A 18 GLY H A 31 PHE HD% 1.0 1.8 5.0 345 262 A 18 GLY H A 32 ARG H 1.0 1.8 5.0 346 263 A 19 VAL HA A 20 CYS H 1.0 1.8 2.9 347 264 A 19 VAL HA A 55 SER HBx 1.0 1.8 5.0 348 264 A 19 VAL HA A 55 SER HBy 1.0 1.8 5.0 349 265 A 31 PHE HA A 19 VAL HG2% 1.0 1.8 5.0 350 266 A 19 VAL H A 30 ILE HB 1.0 1.8 5.0 351 267 A 19 VAL H A 31 PHE HA 1.0 1.8 5.0 352 268 A 19 VAL H A 31 PHE HD% 1.0 1.8 5.0 353 269 A 19 VAL H A 55 SER HA 1.0 1.8 5.0 354 270 A 19 VAL H A 55 SER HBx 1.0 1.8 5.0 355 270 A 19 VAL H A 55 SER HBy 1.0 1.8 5.0 356 271 A 20 CYS HA A 21 ALA H 1.0 1.8 3.5 357 272 A 20 CYS HA A 29 ALA HA 1.0 1.8 5.0 358 273 A 20 CYS HA A 30 ILE H 1.0 1.8 5.0 359 274 A 21 ALA HA A 22 LEU H 1.0 1.8 2.9 360 275 A 30 ILE HD1% A 21 ALA HA 1.0 1.8 5.0 361 276 A 21 ALA HB% A 28 VAL HG1% 1.0 1.8 5.0 362 277 A 21 ALA HB% A 28 VAL HG2% 1.0 1.8 5.0 363 278 A 21 ALA HB% A 28 VAL H 1.0 1.8 5.0 364 279 A 21 ALA H A 28 VAL HB 1.0 1.8 5.0 365 280 A 21 ALA H A 28 VAL H 1.0 1.8 5.0 366 281 A 21 ALA H A 29 ALA HA 1.0 1.8 5.0 367 282 A 30 ILE HD1% A 21 ALA H 1.0 1.8 5.0 368 283 A 22 LEU HA A 23 LEU H 1.0 1.8 2.9 369 284 A 22 LEU HA A 27 GLN HA 1.0 1.8 5.0 370 285 A 28 VAL HG2% A 22 LEU HA 1.0 1.8 5.0 371 286 A 28 VAL H A 22 LEU HA 1.0 1.8 5.0 372 287 A 27 GLN HA A 22 LEU HB2 1.0 1.8 5.0 373 287 A 27 GLN HA A 22 LEU HB3 1.0 1.8 5.0 374 288 A 22 LEU HD1% A 25 ASP HA 1.0 1.8 5.0 375 289 A 22 LEU HD2% A 26 GLU H 1.0 1.8 5.0 376 290 A 27 GLN HA A 22 LEU HD2% 1.0 1.8 5.0 377 291 A 28 VAL H A 22 LEU HD2% 1.0 1.8 5.0 378 292 A 27 GLN HA A 22 LEU HG 1.0 1.8 5.0 379 293 A 23 LEU HA A 106 LEU HD1% 1.0 1.8 5.0 380 294 A 23 LEU HA A 28 VAL HG2% 1.0 1.8 5.0 381 295 A 28 VAL HG1% A 23 LEU HBy 1.0 1.8 5.0 382 296 A 28 VAL HG2% A 23 LEU HBy 1.0 1.8 5.0 383 297 A 28 VAL HG1% A 23 LEU HBx 1.0 1.8 5.0 384 298 A 28 VAL HG2% A 23 LEU HBx 1.0 1.8 5.0 385 299 A 106 LEU HD1% A 23 LEU HBy 1.0 1.8 5.0 386 299 A 106 LEU HD1% A 23 LEU HBx 1.0 1.8 5.0 387 300 A 26 GLU H A 23 LEU HBy 1.0 1.8 5.0 388 300 A 26 GLU H A 23 LEU HBx 1.0 1.8 5.0 389 301 A 107 ARG HA A 23 LEU HD1% 1.0 1.8 5.0 390 302 A 108 GLY H A 23 LEU HD1% 1.0 1.8 5.0 391 303 A 23 LEU HD1% A 28 VAL HG2% 1.0 1.8 5.0 392 304 A 23 LEU HD1% A 95 TYR HE% 1.0 1.8 5.0 393 305 A 107 ARG HA A 23 LEU HD2% 1.0 1.8 5.0 394 306 A 108 GLY H A 23 LEU HD2% 1.0 1.8 5.0 395 307 A 23 LEU HD2% A 109 GLY HAx 1.0 1.8 5.0 396 307 A 23 LEU HD2% A 109 GLY HAy 1.0 1.8 5.0 397 308 A 23 LEU HD2% A 109 GLY H 1.0 1.8 5.0 398 309 A 28 VAL HG1% A 23 LEU HD2% 1.0 1.8 5.0 399 310 A 28 VAL HG2% A 23 LEU HD2% 1.0 1.8 5.0 400 311 A 23 LEU HD2% A 95 TYR HD% 1.0 1.8 5.0 401 312 A 95 TYR HE% A 23 LEU HD2% 1.0 1.8 5.0 402 313 A 28 VAL HG2% A 23 LEU HG 1.0 1.8 5.0 403 314 A 23 LEU H A 26 GLU H 1.0 1.8 5.0 404 315 A 28 VAL HG2% A 23 LEU H 1.0 1.8 5.0 405 316 A 24 GLY HAy A 25 ASP H 1.0 1.8 3.5 406 317 A 26 GLU H A 24 GLY HAy 1.0 1.8 5.0 407 318 A 25 ASP H A 24 GLY HAx 1.0 1.8 3.5 408 319 A 26 GLU H A 24 GLY HAx 1.0 1.8 5.0 409 320 A 26 GLU H A 25 ASP H 1.0 1.8 2.5 410 321 A 26 GLU HA A 27 GLN H 1.0 1.8 3.5 411 322 A 28 VAL HG2% A 26 GLU HBy 1.0 1.8 5.0 412 323 A 28 VAL HG2% A 26 GLU HBx 1.0 1.8 5.0 413 324 A 28 VAL H A 27 GLN HA 1.0 1.8 2.9 414 325 A 27 GLN HA A 44 ASN HD2x 1.0 1.8 5.0 415 325 A 27 GLN HA A 44 ASN HD2y 1.0 1.8 5.0 416 326 A 44 ASN H A 27 GLN HBx 1.0 1.8 5.0 417 326 A 27 GLN HBy A 44 ASN H 1.0 1.8 5.0 418 327 A 45 ILE HD1% A 27 GLN HBx 1.0 1.8 5.0 419 327 A 27 GLN HBy A 45 ILE HD1% 1.0 1.8 5.0 420 328 A 45 ILE HD1% A 27 GLN HE21 1.0 1.8 5.0 421 329 A 45 ILE HD1% A 27 GLN HE22 1.0 1.8 5.0 422 330 A 45 ILE HD1% A 27 GLN HGy 1.0 1.8 5.0 423 331 A 45 ILE HD1% A 27 GLN HGx 1.0 1.8 5.0 424 332 A 28 VAL HG2% A 27 GLN H 1.0 1.8 5.0 425 333 A 28 VAL HA A 29 ALA H 1.0 1.8 3.5 426 334 A 28 VAL HA A 43 SER HA 1.0 1.8 5.0 427 335 A 44 ASN H A 28 VAL HA 1.0 1.8 5.0 428 336 A 106 LEU HD1% A 28 VAL HB 1.0 1.8 5.0 429 337 A 28 VAL HB A 106 LEU HD2% 1.0 1.8 5.0 430 338 A 30 ILE HD1% A 28 VAL HB 1.0 1.8 5.0 431 339 A 106 LEU HD1% A 28 VAL HG1% 1.0 1.8 5.0 432 340 A 28 VAL HG1% A 106 LEU HD2% 1.0 1.8 5.0 433 341 A 28 VAL HG1% A 30 ILE HA 1.0 1.8 5.0 434 342 A 30 ILE HD1% A 28 VAL HG1% 1.0 1.8 5.0 435 343 A 28 VAL HG1% A 41 ALA HA 1.0 1.8 5.0 436 344 A 28 VAL HG1% A 41 ALA HB% 1.0 1.8 5.0 437 345 A 28 VAL HG1% A 41 ALA H 1.0 1.8 5.0 438 346 A 28 VAL HG1% A 42 ILE HA 1.0 1.8 5.0 439 347 A 28 VAL HG1% A 43 SER HA 1.0 1.8 5.0 440 348 A 28 VAL HG1% A 95 TYR HBy 1.0 1.8 5.0 441 349 A 28 VAL HG1% A 95 TYR HBx 1.0 1.8 5.0 442 350 A 28 VAL HG1% A 95 TYR HD% 1.0 1.8 5.0 443 351 A 28 VAL HG1% A 95 TYR HE% 1.0 1.8 5.0 444 352 A 106 LEU HD1% A 28 VAL HG2% 1.0 1.8 5.0 445 353 A 28 VAL HG2% A 106 LEU HD2% 1.0 1.8 5.0 446 354 A 30 ILE HD1% A 28 VAL HG2% 1.0 1.8 5.0 447 355 A 28 VAL HG2% A 30 ILE HG1x 1.0 1.8 5.0 448 355 A 28 VAL HG2% A 30 ILE HG1y 1.0 1.8 5.0 449 356 A 28 VAL HG2% A 43 SER HA 1.0 1.8 5.0 450 357 A 28 VAL HG2% A 95 TYR HD% 1.0 1.8 5.0 451 358 A 28 VAL HG2% A 95 TYR HE% 1.0 1.8 5.0 452 359 A 29 ALA HB% A 42 ILE H 1.0 1.8 5.0 453 360 A 29 ALA HB% A 44 ASN HA 1.0 1.8 5.0 454 361 A 55 SER HA A 29 ALA HB% 1.0 1.8 5.0 455 362 A 29 ALA HB% A 55 SER HBx 1.0 1.8 5.0 456 362 A 55 SER HBy A 29 ALA HB% 1.0 1.8 5.0 457 363 A 29 ALA H A 42 ILE HG1x 1.0 1.8 5.0 458 363 A 29 ALA H A 42 ILE HG1y 1.0 1.8 5.0 459 364 A 29 ALA H A 42 ILE H 1.0 1.8 5.0 460 365 A 29 ALA H A 44 ASN HA 1.0 1.8 5.0 461 366 A 29 ALA H A 44 ASN HBy 1.0 1.8 5.0 462 367 A 29 ALA H A 44 ASN HBx 1.0 1.8 5.0 463 368 A 44 ASN H A 29 ALA H 1.0 1.8 5.0 464 369 A 31 PHE H A 30 ILE HA 1.0 1.8 2.9 465 370 A 30 ILE HA A 40 PHE H 1.0 1.8 5.0 466 371 A 30 ILE HA A 41 ALA HA 1.0 1.8 4.0 467 372 A 30 ILE HA A 41 ALA HB% 1.0 1.8 5.0 468 373 A 30 ILE HA A 42 ILE H 1.0 1.8 5.0 469 374 A 104 VAL HB A 30 ILE HD1% 1.0 1.8 5.0 470 375 A 104 VAL HG1% A 30 ILE HD1% 1.0 1.8 5.0 471 376 A 30 ILE HD1% A 106 LEU HD1% 1.0 1.8 5.0 472 377 A 40 PHE H A 30 ILE HG2% 1.0 1.8 5.0 473 378 A 41 ALA HA A 30 ILE HG2% 1.0 1.8 5.0 474 379 A 30 ILE H A 55 SER HBx 1.0 1.8 5.0 475 379 A 55 SER HBy A 30 ILE H 1.0 1.8 5.0 476 380 A 32 ARG H A 31 PHE HA 1.0 1.8 2.9 477 381 A 40 PHE H A 31 PHE HBx 1.0 1.8 5.0 478 381 A 40 PHE H A 31 PHE HBy 1.0 1.8 5.0 479 382 A 31 PHE HD% A 79 LEU HD1% 1.0 1.8 5.0 480 383 A 31 PHE HD% A 79 LEU HD2% 1.0 1.8 5.0 481 384 A 31 PHE H A 39 VAL HB 1.0 1.8 5.0 482 385 A 31 PHE H A 40 PHE HBy 1.0 1.8 5.0 483 385 A 31 PHE H A 40 PHE HBx 1.0 1.8 5.0 484 386 A 31 PHE H A 40 PHE H 1.0 1.8 5.0 485 387 A 31 PHE H A 41 ALA HA 1.0 1.8 5.0 486 388 A 31 PHE H A 79 LEU HD2% 1.0 1.8 5.0 487 389 A 32 ARG HA A 33 PRO HDy 1.0 1.8 5.0 488 390 A 32 ARG HA A 33 PRO HDx 1.0 1.8 5.0 489 391 A 32 ARG HA A 33 PRO HGy 1.0 1.8 5.0 490 392 A 32 ARG HA A 33 PRO HGx 1.0 1.8 5.0 491 393 A 32 ARG HA A 34 TYR H 1.0 1.8 5.0 492 394 A 32 ARG HA A 39 VAL HA 1.0 1.8 5.0 493 395 A 39 VAL HG1% A 32 ARG HA 1.0 1.8 5.0 494 396 A 40 PHE H A 32 ARG HA 1.0 1.8 5.0 495 397 A 32 ARG HE A 36 SER H 1.0 1.8 5.0 496 398 A 32 ARG HE A 37 ASP HA 1.0 1.8 5.0 497 399 A 32 ARG HE A 38 GLN H 1.0 1.8 5.0 498 400 A 34 TYR H A 32 ARG HGx 1.0 1.8 5.0 499 400 A 32 ARG HGy A 34 TYR H 1.0 1.8 5.0 500 401 A 35 HIS HA A 32 ARG HH1% 1.0 1.8 5.0 501 401 A 35 HIS HA A 32 ARG HH2% 1.0 1.8 5.0 502 402 A 36 SER H A 32 ARG HH1% 1.0 1.8 5.0 503 402 A 36 SER H A 32 ARG HH2% 1.0 1.8 5.0 504 403 A 37 ASP HA A 32 ARG HH1% 1.0 1.8 5.0 505 403 A 37 ASP HA A 32 ARG HH2% 1.0 1.8 5.0 506 404 A 32 ARG H A 33 PRO HDy 1.0 1.8 5.0 507 405 A 32 ARG H A 33 PRO HDx 1.0 1.8 5.0 508 406 A 32 ARG H A 59 ILE HD1% 1.0 1.8 5.0 509 407 A 33 PRO HA A 59 ILE HD1% 1.0 1.8 5.0 510 408 A 33 PRO HA A 59 ILE HG2% 1.0 1.8 5.0 511 409 A 33 PRO HA A 66 LEU HD1% 1.0 1.8 5.0 512 410 A 59 ILE HD1% A 33 PRO HBy 1.0 1.8 5.0 513 411 A 59 ILE HG2% A 33 PRO HBy 1.0 1.8 5.0 514 412 A 66 LEU HD1% A 33 PRO HBy 1.0 1.8 5.0 515 413 A 59 ILE HD1% A 33 PRO HBx 1.0 1.8 5.0 516 414 A 59 ILE HG2% A 33 PRO HBx 1.0 1.8 5.0 517 415 A 66 LEU HD1% A 33 PRO HBx 1.0 1.8 5.0 518 416 A 66 LEU HD2% A 33 PRO HBy 1.0 1.8 5.0 519 416 A 33 PRO HBx A 66 LEU HD2% 1.0 1.8 5.0 520 417 A 79 LEU HD1% A 33 PRO HBy 1.0 1.8 5.0 521 417 A 79 LEU HD1% A 33 PRO HBx 1.0 1.8 5.0 522 418 A 39 VAL HA A 33 PRO HDy 1.0 1.8 5.0 523 419 A 40 PHE HD% A 33 PRO HDy 1.0 1.8 5.0 524 420 A 40 PHE H A 33 PRO HDy 1.0 1.8 5.0 525 421 A 39 VAL HA A 33 PRO HDx 1.0 1.8 5.0 526 422 A 40 PHE HD% A 33 PRO HDx 1.0 1.8 5.0 527 423 A 40 PHE H A 33 PRO HDx 1.0 1.8 5.0 528 424 A 33 PRO HDx A 38 GLN HB2 1.0 1.8 5.0 529 424 A 33 PRO HDy A 38 GLN HB2 1.0 1.8 5.0 530 424 A 38 GLN HB3 A 33 PRO HDy 1.0 1.8 5.0 531 424 A 33 PRO HDx A 38 GLN HB3 1.0 1.8 5.0 532 425 A 39 VAL HG1% A 33 PRO HDy 1.0 1.8 5.0 533 425 A 39 VAL HG1% A 33 PRO HDx 1.0 1.8 5.0 534 426 A 40 PHE HE% A 33 PRO HDy 1.0 1.8 5.0 535 426 A 33 PRO HDx A 40 PHE HE% 1.0 1.8 5.0 536 427 A 59 ILE HD1% A 33 PRO HDy 1.0 1.8 5.0 537 427 A 59 ILE HD1% A 33 PRO HDx 1.0 1.8 5.0 538 428 A 79 LEU HD1% A 33 PRO HDy 1.0 1.8 5.0 539 428 A 79 LEU HD1% A 33 PRO HDx 1.0 1.8 5.0 540 429 A 40 PHE HD% A 33 PRO HGx 1.0 1.8 5.0 541 429 A 40 PHE HD% A 33 PRO HGy 1.0 1.8 5.0 542 430 A 40 PHE HE% A 33 PRO HGx 1.0 1.8 5.0 543 430 A 40 PHE HE% A 33 PRO HGy 1.0 1.8 5.0 544 431 A 66 LEU HD1% A 33 PRO HGx 1.0 1.8 5.0 545 431 A 66 LEU HD1% A 33 PRO HGy 1.0 1.8 5.0 546 432 A 79 LEU HD1% A 33 PRO HGx 1.0 1.8 5.0 547 432 A 79 LEU HD1% A 33 PRO HGy 1.0 1.8 5.0 548 433 A 34 TYR HA A 35 HIS H 1.0 1.8 3.5 549 434 A 34 TYR HA A 36 SER H 1.0 1.8 5.0 550 435 A 36 SER H A 34 TYR HBy 1.0 1.8 5.0 551 436 A 36 SER H A 34 TYR HBx 1.0 1.8 5.0 552 437 A 38 GLN H A 34 TYR HBy 1.0 1.8 5.0 553 437 A 38 GLN H A 34 TYR HBx 1.0 1.8 5.0 554 438 A 34 TYR HD% A 38 GLN HB2 1.0 1.8 5.0 555 438 A 38 GLN HB3 A 34 TYR HD% 1.0 1.8 5.0 556 439 A 34 TYR HD% A 38 GLN HG2 1.0 1.8 5.0 557 439 A 34 TYR HD% A 38 GLN HG3 1.0 1.8 5.0 558 440 A 66 LEU HD1% A 34 TYR HD% 1.0 1.8 5.0 559 441 A 66 LEU HD2% A 34 TYR HD% 1.0 1.8 5.0 560 442 A 34 TYR HE% A 38 GLN HB2 1.0 1.8 5.0 561 442 A 38 GLN HB3 A 34 TYR HE% 1.0 1.8 5.0 562 443 A 40 PHE HE% A 34 TYR HE% 1.0 1.8 5.0 563 444 A 66 LEU HD1% A 34 TYR HE% 1.0 1.8 5.0 564 445 A 66 LEU HD2% A 34 TYR HE% 1.0 1.8 5.0 565 446 A 34 TYR H A 36 SER H 1.0 1.8 5.0 566 447 A 34 TYR H A 38 GLN HB2 1.0 1.8 5.0 567 447 A 34 TYR H A 38 GLN HB3 1.0 1.8 5.0 568 448 A 34 TYR H A 66 LEU HD1% 1.0 1.8 5.0 569 449 A 35 HIS HA A 36 SER H 1.0 1.8 3.5 570 450 A 36 SER HA A 37 ASP H 1.0 1.8 3.5 571 451 A 38 GLN H A 36 SER HBy 1.0 1.8 5.0 572 452 A 38 GLN H A 36 SER HBx 1.0 1.8 5.0 573 453 A 36 SER H A 38 GLN H 1.0 1.8 5.0 574 454 A 37 ASP HA A 99 VAL HB 1.0 1.8 5.0 575 455 A 99 VAL HG2% A 37 ASP HA 1.0 1.8 5.0 576 456 A 99 VAL HB A 37 ASP HB2 1.0 1.8 5.0 577 456 A 37 ASP HB3 A 99 VAL HB 1.0 1.8 5.0 578 457 A 99 VAL HG1% A 37 ASP HB2 1.0 1.8 5.0 579 457 A 99 VAL HG1% A 37 ASP HB3 1.0 1.8 5.0 580 458 A 99 VAL HG2% A 37 ASP HB2 1.0 1.8 5.0 581 458 A 99 VAL HG2% A 37 ASP HB3 1.0 1.8 5.0 582 459 A 38 GLN HA A 39 VAL H 1.0 1.8 2.9 583 460 A 99 VAL HG2% A 38 GLN HA 1.0 1.8 5.0 584 461 A 40 PHE HE% A 38 GLN HG2 1.0 1.8 5.0 585 461 A 40 PHE HE% A 38 GLN HG3 1.0 1.8 5.0 586 462 A 40 PHE H A 39 VAL HA 1.0 1.8 3.5 587 463 A 97 ALA HB% A 39 VAL HB 1.0 1.8 5.0 588 464 A 99 VAL HG2% A 39 VAL HB 1.0 1.8 5.0 589 465 A 97 ALA HB% A 39 VAL HG2% 1.0 1.8 5.0 590 466 A 39 VAL HG2% A 98 ARG HA 1.0 1.8 5.0 591 467 A 99 VAL HG2% A 39 VAL HG2% 1.0 1.8 5.0 592 468 A 40 PHE HD% A 39 VAL H 1.0 1.8 5.0 593 469 A 97 ALA HB% A 39 VAL H 1.0 1.8 5.0 594 470 A 39 VAL H A 98 ARG HA 1.0 1.8 5.0 595 471 A 99 VAL HG2% A 39 VAL H 1.0 1.8 5.0 596 472 A 41 ALA H A 40 PHE HA 1.0 1.8 2.9 597 473 A 97 ALA HB% A 40 PHE HA 1.0 1.8 5.0 598 474 A 79 LEU HBy A 40 PHE HBy 1.0 1.8 5.0 599 474 A 40 PHE HBy A 79 LEU HBx 1.0 1.8 5.0 600 475 A 79 LEU HD1% A 40 PHE HBy 1.0 1.8 5.0 601 476 A 79 LEU HD2% A 40 PHE HBy 1.0 1.8 5.0 602 477 A 40 PHE HBx A 79 LEU HBy 1.0 1.8 5.0 603 477 A 40 PHE HBx A 79 LEU HBx 1.0 1.8 5.0 604 478 A 79 LEU HD1% A 40 PHE HBx 1.0 1.8 5.0 605 479 A 79 LEU HD2% A 40 PHE HBx 1.0 1.8 5.0 606 480 A 79 LEU HA A 40 PHE HBy 1.0 1.8 5.0 607 480 A 40 PHE HBx A 79 LEU HA 1.0 1.8 5.0 608 481 A 40 PHE HD% A 79 LEU HBx 1.0 1.8 5.0 609 481 A 40 PHE HD% A 79 LEU HBy 1.0 1.8 5.0 610 482 A 79 LEU HD1% A 40 PHE HD% 1.0 1.8 5.0 611 483 A 79 LEU HD2% A 40 PHE HD% 1.0 1.8 5.0 612 484 A 40 PHE HD% A 80 SER HA 1.0 1.8 5.0 613 485 A 40 PHE HE% A 80 SER HBx 1.0 1.8 5.0 614 485 A 40 PHE HE% A 80 SER HBy 1.0 1.8 5.0 615 486 A 40 PHE H A 79 LEU HD2% 1.0 1.8 5.0 616 487 A 97 ALA HB% A 40 PHE H 1.0 1.8 5.0 617 488 A 106 LEU HD2% A 41 ALA HA 1.0 1.8 5.0 618 489 A 41 ALA HA A 42 ILE H 1.0 1.8 2.9 619 490 A 106 LEU HD1% A 41 ALA HB% 1.0 1.8 5.0 620 491 A 41 ALA HB% A 95 TYR HBy 1.0 1.8 5.0 621 492 A 41 ALA HB% A 95 TYR HBx 1.0 1.8 5.0 622 493 A 95 TYR HD% A 41 ALA HB% 1.0 1.8 5.0 623 494 A 95 TYR HE% A 41 ALA HB% 1.0 1.8 5.0 624 495 A 41 ALA HB% A 95 TYR H 1.0 1.8 5.0 625 496 A 106 LEU HD2% A 41 ALA H 1.0 1.8 5.0 626 497 A 41 ALA H A 95 TYR HBy 1.0 1.8 5.0 627 497 A 41 ALA H A 95 TYR HBx 1.0 1.8 5.0 628 498 A 41 ALA H A 95 TYR H 1.0 1.8 5.0 629 499 A 97 ALA HB% A 41 ALA H 1.0 1.8 5.0 630 500 A 42 ILE HA A 43 SER H 1.0 1.8 3.5 631 501 A 42 ILE HA A 92 VAL HG2% 1.0 1.8 5.0 632 502 A 42 ILE HA A 94 HIS HA 1.0 1.8 5.0 633 503 A 42 ILE HA A 94 HIS HBy 1.0 1.8 5.0 634 503 A 42 ILE HA A 94 HIS HBx 1.0 1.8 5.0 635 504 A 95 TYR HD% A 42 ILE HA 1.0 1.8 5.0 636 505 A 95 TYR HE% A 42 ILE HA 1.0 1.8 5.0 637 506 A 42 ILE HA A 95 TYR H 1.0 1.8 5.0 638 507 A 92 VAL HG2% A 42 ILE HB 1.0 1.8 5.0 639 508 A 94 HIS HA A 42 ILE HB 1.0 1.8 5.0 640 509 A 42 ILE HD1% A 54 LEU HD1% 1.0 1.8 5.0 641 510 A 42 ILE HD1% A 68 VAL HG1% 1.0 1.8 5.0 642 511 A 79 LEU HA A 42 ILE HD1% 1.0 1.8 5.0 643 512 A 79 LEU HD2% A 42 ILE HD1% 1.0 1.8 5.0 644 513 A 79 LEU HA A 42 ILE HG1x 1.0 1.8 5.0 645 513 A 42 ILE HG1y A 79 LEU HA 1.0 1.8 5.0 646 514 A 79 LEU HA A 42 ILE HG2% 1.0 1.8 5.0 647 515 A 79 LEU HD2% A 42 ILE HG2% 1.0 1.8 5.0 648 516 A 42 ILE HG2% A 82 GLY HAy 1.0 1.8 5.0 649 517 A 42 ILE HG2% A 82 GLY HAx 1.0 1.8 5.0 650 518 A 42 ILE HG2% A 82 GLY H 1.0 1.8 5.0 651 519 A 94 HIS HA A 42 ILE HG2% 1.0 1.8 5.0 652 520 A 42 ILE HG2% A 94 HIS HBy 1.0 1.8 5.0 653 521 A 94 HIS HBx A 42 ILE HG2% 1.0 1.8 5.0 654 522 A 42 ILE HG2% A 94 HIS HD2 1.0 1.8 5.0 655 523 A 95 TYR H A 42 ILE HG2% 1.0 1.8 5.0 656 524 A 44 ASN H A 43 SER HA 1.0 1.8 3.5 657 525 A 95 TYR HD% A 43 SER HA 1.0 1.8 5.0 658 526 A 95 TYR HE% A 43 SER HA 1.0 1.8 5.0 659 527 A 92 VAL HB A 43 SER HBy 1.0 1.8 5.0 660 528 A 93 LYS H A 43 SER HBy 1.0 1.8 5.0 661 529 A 95 TYR HE% A 43 SER HBy 1.0 1.8 5.0 662 530 A 92 VAL HB A 43 SER HBx 1.0 1.8 5.0 663 531 A 92 VAL HG2% A 43 SER HBy 1.0 1.8 5.0 664 531 A 92 VAL HG2% A 43 SER HBx 1.0 1.8 5.0 665 532 A 93 LYS H A 43 SER HBx 1.0 1.8 5.0 666 533 A 95 TYR HE% A 43 SER HBx 1.0 1.8 5.0 667 534 A 45 ILE H A 43 SER HBy 1.0 1.8 5.0 668 534 A 43 SER HBx A 45 ILE H 1.0 1.8 5.0 669 535 A 43 SER HBy A 93 LYS HBx 1.0 1.8 5.0 670 535 A 43 SER HBx A 93 LYS HBx 1.0 1.8 5.0 671 535 A 93 LYS HBy A 43 SER HBy 1.0 1.8 5.0 672 535 A 43 SER HBx A 93 LYS HBy 1.0 1.8 5.0 673 536 A 43 SER H A 92 VAL HG2% 1.0 1.8 5.0 674 537 A 43 SER H A 93 LYS HBx 1.0 1.8 5.0 675 537 A 43 SER H A 93 LYS HBy 1.0 1.8 5.0 676 538 A 43 SER H A 94 HIS HA 1.0 1.8 5.0 677 539 A 95 TYR HE% A 43 SER H 1.0 1.8 5.0 678 540 A 44 ASN HA A 54 LEU HBx 1.0 1.8 5.0 679 540 A 44 ASN HA A 54 LEU HBy 1.0 1.8 5.0 680 541 A 44 ASN HA A 54 LEU HD1% 1.0 1.8 5.0 681 542 A 45 ILE HD1% A 44 ASN HBy 1.0 1.8 5.0 682 542 A 45 ILE HD1% A 44 ASN HBx 1.0 1.8 5.0 683 543 A 45 ILE HD1% A 44 ASN HD2x 1.0 1.8 5.0 684 543 A 44 ASN HD2y A 45 ILE HD1% 1.0 1.8 5.0 685 544 A 44 ASN H A 45 ILE HG1x 1.0 1.8 5.0 686 544 A 44 ASN H A 45 ILE HG1y 1.0 1.8 5.0 687 545 A 95 TYR HE% A 44 ASN H 1.0 1.8 5.0 688 546 A 45 ILE HA A 46 ASP H 1.0 1.8 3.5 689 547 A 45 ILE HA A 52 SER HA 1.0 1.8 4.0 690 548 A 45 ILE HA A 53 VAL H 1.0 1.8 5.0 691 549 A 45 ILE HD1% A 52 SER HA 1.0 1.8 5.0 692 550 A 45 ILE HD1% A 52 SER HBy 1.0 1.8 5.0 693 551 A 45 ILE HD1% A 52 SER HBx 1.0 1.8 5.0 694 552 A 52 SER HA A 45 ILE HG1x 1.0 1.8 5.0 695 552 A 45 ILE HG1y A 52 SER HA 1.0 1.8 5.0 696 553 A 45 ILE HG2% A 47 PRO HA 1.0 1.8 5.0 697 554 A 45 ILE HG2% A 50 GLU HA 1.0 1.8 5.0 698 555 A 45 ILE HG2% A 50 GLU HBx 1.0 1.8 5.0 699 555 A 45 ILE HG2% A 50 GLU HBy 1.0 1.8 5.0 700 556 A 45 ILE HG2% A 51 SER H 1.0 1.8 5.0 701 557 A 52 SER HA A 45 ILE HG2% 1.0 1.8 5.0 702 558 A 54 LEU HD1% A 46 ASP HA 1.0 1.8 5.0 703 559 A 46 ASP HA A 54 LEU HD2% 1.0 1.8 5.0 704 560 A 46 ASP HA A 92 VAL HG1% 1.0 1.8 5.0 705 561 A 51 SER H A 46 ASP HBy 1.0 1.8 5.0 706 562 A 51 SER H A 46 ASP HBx 1.0 1.8 5.0 707 563 A 49 PHE H A 46 ASP HBy 1.0 1.8 5.0 708 563 A 46 ASP HBx A 49 PHE H 1.0 1.8 5.0 709 564 A 46 ASP H A 51 SER H 1.0 1.8 5.0 710 565 A 46 ASP H A 52 SER HA 1.0 1.8 5.0 711 566 A 47 PRO HA A 49 PHE H 1.0 1.8 5.0 712 567 A 47 PRO HA A 50 GLU H 1.0 1.8 5.0 713 568 A 92 VAL HG1% A 47 PRO HBx 1.0 1.8 5.0 714 568 A 92 VAL HG1% A 47 PRO HBy 1.0 1.8 5.0 715 569 A 54 LEU HD1% A 47 PRO HD2 1.0 1.8 5.0 716 569 A 54 LEU HD1% A 47 PRO HD3 1.0 1.8 5.0 717 570 A 92 VAL HG1% A 47 PRO HD2 1.0 1.8 5.0 718 570 A 92 VAL HG1% A 47 PRO HD3 1.0 1.8 5.0 719 571 A 92 VAL HG1% A 47 PRO HGx 1.0 1.8 5.0 720 572 A 92 VAL HG1% A 47 PRO HGy 1.0 1.8 5.0 721 573 A 50 GLU H A 48 PHE H 1.0 1.8 5.0 722 574 A 49 PHE HE% A 73 LYS HBy 1.0 1.8 5.0 723 575 A 49 PHE HE% A 73 LYS HBx 1.0 1.8 5.0 724 576 A 49 PHE HE% A 73 LYS HD2 1.0 1.8 5.0 725 576 A 49 PHE HE% A 73 LYS HD3 1.0 1.8 5.0 726 577 A 49 PHE HE% A 73 LYS HGy 1.0 1.8 5.0 727 578 A 49 PHE HE% A 73 LYS HGx 1.0 1.8 5.0 728 579 A 73 LYS HBy A 49 PHE HZ 1.0 1.8 5.0 729 580 A 73 LYS HBx A 49 PHE HZ 1.0 1.8 5.0 730 581 A 49 PHE HZ A 73 LYS HD2 1.0 1.8 5.0 731 581 A 73 LYS HD3 A 49 PHE HZ 1.0 1.8 5.0 732 582 A 73 LYS HGy A 49 PHE HZ 1.0 1.8 5.0 733 583 A 73 LYS HGx A 49 PHE HZ 1.0 1.8 5.0 734 584 A 50 GLU HA A 51 SER H 1.0 1.8 3.5 735 585 A 72 LEU HD1% A 51 SER HBx 1.0 1.8 5.0 736 585 A 51 SER HBy A 72 LEU HD1% 1.0 1.8 5.0 737 586 A 72 LEU HD2% A 51 SER HBx 1.0 1.8 5.0 738 586 A 51 SER HBy A 72 LEU HD2% 1.0 1.8 5.0 739 587 A 52 SER HA A 53 VAL H 1.0 1.8 3.5 740 588 A 53 VAL HA A 54 LEU H 1.0 1.8 3.5 741 589 A 72 LEU HD1% A 53 VAL HG2% 1.0 1.8 5.0 742 590 A 72 LEU HD2% A 53 VAL HG2% 1.0 1.8 5.0 743 591 A 54 LEU HA A 56 ARG H 1.0 1.8 5.0 744 592 A 54 LEU HD1% A 92 VAL HG1% 1.0 1.8 5.0 745 593 A 92 VAL HG2% A 54 LEU HD1% 1.0 1.8 5.0 746 594 A 56 ARG HA A 57 GLY H 1.0 1.8 3.5 747 595 A 58 LEU H A 57 GLY HA3 1.0 1.8 3.5 748 596 A 58 LEU H A 57 GLY HA2 1.0 1.8 3.5 749 597 A 68 VAL HG2% A 57 GLY HA3 1.0 1.8 5.0 750 597 A 57 GLY HA2 A 68 VAL HG2% 1.0 1.8 5.0 751 598 A 57 GLY HA3 A 71 PRO HDx 1.0 1.8 5.0 752 598 A 57 GLY HA2 A 71 PRO HDx 1.0 1.8 5.0 753 598 A 71 PRO HDy A 57 GLY HA3 1.0 1.8 5.0 754 598 A 57 GLY HA2 A 71 PRO HDy 1.0 1.8 5.0 755 599 A 57 GLY HA2 A 71 PRO HGx 1.0 1.8 5.0 756 599 A 57 GLY HA3 A 71 PRO HGx 1.0 1.8 5.0 757 599 A 71 PRO HGy A 57 GLY HA3 1.0 1.8 5.0 758 599 A 57 GLY HA2 A 71 PRO HGy 1.0 1.8 5.0 759 600 A 57 GLY H A 68 VAL HG2% 1.0 1.8 5.0 760 601 A 58 LEU HA A 59 ILE H 1.0 1.8 3.5 761 602 A 69 ALA H A 58 LEU HBx 1.0 1.8 5.0 762 602 A 58 LEU HBy A 69 ALA H 1.0 1.8 5.0 763 603 A 69 ALA H A 58 LEU HD2% 1.0 1.8 5.0 764 604 A 58 LEU HD2% A 71 PRO HA 1.0 1.8 5.0 765 605 A 58 LEU H A 68 VAL HG2% 1.0 1.8 5.0 766 606 A 58 LEU H A 69 ALA HB% 1.0 1.8 5.0 767 607 A 58 LEU H A 69 ALA H 1.0 1.8 5.0 768 608 A 59 ILE HA A 60 ALA H 1.0 1.8 2.9 769 609 A 59 ILE HA A 68 VAL HA 1.0 1.8 5.0 770 610 A 68 VAL HG1% A 59 ILE HA 1.0 1.8 5.0 771 611 A 69 ALA H A 59 ILE HA 1.0 1.8 5.0 772 612 A 59 ILE HD1% A 68 VAL HA 1.0 1.8 5.0 773 613 A 59 ILE HD1% A 79 LEU HD1% 1.0 1.8 5.0 774 614 A 59 ILE HD1% A 79 LEU HD2% 1.0 1.8 5.0 775 615 A 68 VAL HA A 59 ILE HG1y 1.0 1.8 5.0 776 615 A 68 VAL HA A 59 ILE HG1x 1.0 1.8 5.0 777 616 A 69 ALA H A 59 ILE HG1y 1.0 1.8 5.0 778 616 A 69 ALA H A 59 ILE HG1x 1.0 1.8 5.0 779 617 A 59 ILE HG2% A 66 LEU HA 1.0 1.8 5.0 780 618 A 59 ILE HG2% A 67 TRP H 1.0 1.8 5.0 781 619 A 59 ILE HG2% A 68 VAL HA 1.0 1.8 5.0 782 620 A 59 ILE HG2% A 68 VAL H 1.0 1.8 5.0 783 621 A 79 LEU HD1% A 59 ILE HG2% 1.0 1.8 5.0 784 622 A 79 LEU HD2% A 59 ILE HG2% 1.0 1.8 5.0 785 623 A 68 VAL HG2% A 59 ILE H 1.0 1.8 5.0 786 624 A 60 ALA HA A 61 GLU H 1.0 1.8 2.9 787 625 A 66 LEU HD2% A 60 ALA HA 1.0 1.8 5.0 788 626 A 60 ALA HB% A 67 TRP HBx 1.0 1.8 5.0 789 626 A 60 ALA HB% A 67 TRP HBy 1.0 1.8 5.0 790 627 A 68 VAL HA A 60 ALA HB% 1.0 1.8 5.0 791 628 A 60 ALA H A 67 TRP HBx 1.0 1.8 5.0 792 628 A 60 ALA H A 67 TRP HBy 1.0 1.8 5.0 793 629 A 60 ALA H A 67 TRP H 1.0 1.8 5.0 794 630 A 60 ALA H A 68 VAL HA 1.0 1.8 5.0 795 631 A 61 GLU HA A 62 HIS H 1.0 1.8 2.9 796 632 A 66 LEU HA A 61 GLU HA 1.0 1.8 5.0 797 633 A 61 GLU HA A 67 TRP HD1 1.0 1.8 5.0 798 634 A 67 TRP H A 61 GLU HA 1.0 1.8 5.0 799 635 A 64 GLY H A 61 GLU HBx 1.0 1.8 5.0 800 635 A 61 GLU HBy A 64 GLY H 1.0 1.8 5.0 801 636 A 64 GLY HAy A 61 GLU HGy 1.0 1.8 5.0 802 636 A 61 GLU HGy A 64 GLY HAx 1.0 1.8 5.0 803 637 A 64 GLY H A 61 GLU HGy 1.0 1.8 5.0 804 638 A 65 GLU H A 61 GLU HGy 1.0 1.8 5.0 805 639 A 64 GLY HAy A 61 GLU HGx 1.0 1.8 5.0 806 639 A 61 GLU HGx A 64 GLY HAx 1.0 1.8 5.0 807 640 A 64 GLY H A 61 GLU HGx 1.0 1.8 5.0 808 641 A 65 GLU H A 61 GLU HGx 1.0 1.8 5.0 809 642 A 66 LEU HA A 61 GLU HGx 1.0 1.8 5.0 810 642 A 66 LEU HA A 61 GLU HGy 1.0 1.8 5.0 811 643 A 66 LEU HD2% A 61 GLU H 1.0 1.8 5.0 812 644 A 67 TRP HD1 A 62 HIS HBy 1.0 1.8 5.0 813 645 A 67 TRP HE1 A 62 HIS HBy 1.0 1.8 5.0 814 646 A 67 TRP HD1 A 62 HIS HBx 1.0 1.8 5.0 815 647 A 67 TRP HE1 A 62 HIS HBx 1.0 1.8 5.0 816 648 A 65 GLU H A 62 HIS HBy 1.0 1.8 5.0 817 648 A 65 GLU H A 62 HIS HBx 1.0 1.8 5.0 818 649 A 62 HIS H A 64 GLY H 1.0 1.8 5.0 819 650 A 62 HIS H A 65 GLU H 1.0 1.8 5.0 820 651 A 66 LEU HA A 62 HIS H 1.0 1.8 5.0 821 652 A 62 HIS H A 67 TRP HD1 1.0 1.8 5.0 822 653 A 62 HIS H A 67 TRP HE1 1.0 1.8 5.0 823 654 A 64 GLY H A 63 GLN HA 1.0 1.8 3.5 824 655 A 65 GLU H A 63 GLN HA 1.0 1.8 5.0 825 656 A 64 GLY H A 65 GLU H 1.0 1.8 3.5 826 657 A 65 GLU HA A 66 LEU H 1.0 1.8 2.9 827 658 A 67 TRP HE1 A 65 GLU HBy 1.0 1.8 5.0 828 659 A 67 TRP HE1 A 65 GLU HBx 1.0 1.8 5.0 829 660 A 65 GLU HBy A 78 ARG HDy 1.0 1.8 5.0 830 660 A 65 GLU HBx A 78 ARG HDy 1.0 1.8 5.0 831 660 A 78 ARG HDx A 65 GLU HBx 1.0 1.8 5.0 832 660 A 65 GLU HBy A 78 ARG HDx 1.0 1.8 5.0 833 661 A 67 TRP HE1 A 65 GLU HGy 1.0 1.8 5.0 834 662 A 67 TRP HE1 A 65 GLU HGx 1.0 1.8 5.0 835 663 A 65 GLU H A 67 TRP HE1 1.0 1.8 5.0 836 664 A 66 LEU HA A 67 TRP H 1.0 1.8 3.5 837 665 A 79 LEU HD1% A 66 LEU HA 1.0 1.8 5.0 838 666 A 79 LEU HD1% A 66 LEU HBy 1.0 1.8 5.0 839 667 A 79 LEU HD1% A 66 LEU HBx 1.0 1.8 5.0 840 668 A 79 LEU HD1% A 66 LEU H 1.0 1.8 5.0 841 669 A 68 VAL H A 67 TRP HA 1.0 1.8 3.5 842 670 A 67 TRP HA A 78 ARG HA 1.0 1.8 5.0 843 671 A 79 LEU HD1% A 67 TRP HA 1.0 1.8 5.0 844 672 A 79 LEU HD2% A 67 TRP HA 1.0 1.8 5.0 845 673 A 67 TRP HA A 79 LEU HG 1.0 1.8 5.0 846 674 A 67 TRP HA A 79 LEU H 1.0 1.8 5.0 847 675 A 76 ARG HA A 67 TRP HBx 1.0 1.8 5.0 848 675 A 67 TRP HBy A 76 ARG HA 1.0 1.8 5.0 849 676 A 78 ARG HA A 67 TRP HBx 1.0 1.8 5.0 850 676 A 67 TRP HBy A 78 ARG HA 1.0 1.8 5.0 851 677 A 67 TRP HE3 A 76 ARG HBx 1.0 1.8 5.0 852 677 A 67 TRP HE3 A 76 ARG HBy 1.0 1.8 5.0 853 678 A 67 TRP HE3 A 77 PHE HA 1.0 1.8 5.0 854 679 A 67 TRP HE3 A 77 PHE H 1.0 1.8 5.0 855 680 A 78 ARG HA A 67 TRP HE3 1.0 1.8 5.0 856 681 A 67 TRP HE3 A 78 ARG H 1.0 1.8 5.0 857 682 A 67 TRP HH2 A 83 LEU HD2% 1.0 1.8 5.0 858 683 A 67 TRP HH2 A 85 MET HA 1.0 1.8 5.0 859 684 A 67 TRP HH2 A 85 MET HBx 1.0 1.8 5.0 860 684 A 67 TRP HH2 A 85 MET HBy 1.0 1.8 5.0 861 685 A 67 TRP HH2 A 85 MET HE% 1.0 1.8 5.0 862 686 A 67 TRP HZ2 A 78 ARG HDy 1.0 1.8 5.0 863 687 A 78 ARG HDx A 67 TRP HZ2 1.0 1.8 5.0 864 688 A 83 LEU HD2% A 67 TRP HZ2 1.0 1.8 5.0 865 689 A 85 MET HE% A 67 TRP HZ2 1.0 1.8 5.0 866 690 A 67 TRP HZ3 A 78 ARG HBx 1.0 1.8 5.0 867 690 A 67 TRP HZ3 A 78 ARG HBy 1.0 1.8 5.0 868 691 A 78 ARG H A 67 TRP HZ3 1.0 1.8 5.0 869 692 A 85 MET HA A 67 TRP HZ3 1.0 1.8 5.0 870 693 A 67 TRP HZ3 A 85 MET H 1.0 1.8 5.0 871 694 A 69 ALA H A 68 VAL HA 1.0 1.8 2.9 872 695 A 79 LEU HD2% A 68 VAL HA 1.0 1.8 5.0 873 696 A 79 LEU HD1% A 68 VAL HB 1.0 1.8 5.0 874 697 A 79 LEU HD2% A 68 VAL HB 1.0 1.8 5.0 875 698 A 68 VAL HG1% A 77 PHE H 1.0 1.8 5.0 876 699 A 68 VAL HG1% A 78 ARG H 1.0 1.8 5.0 877 700 A 79 LEU HD1% A 68 VAL HG1% 1.0 1.8 5.0 878 701 A 79 LEU HD2% A 68 VAL HG1% 1.0 1.8 5.0 879 702 A 68 VAL H A 77 PHE H 1.0 1.8 5.0 880 703 A 68 VAL H A 78 ARG HA 1.0 1.8 5.0 881 704 A 79 LEU HD1% A 68 VAL H 1.0 1.8 5.0 882 705 A 79 LEU HD2% A 68 VAL H 1.0 1.8 5.0 883 706 A 68 VAL H A 79 LEU HG 1.0 1.8 5.0 884 707 A 69 ALA HA A 70 SER H 1.0 1.8 3.5 885 708 A 76 ARG HA A 69 ALA HA 1.0 1.8 5.0 886 709 A 77 PHE H A 69 ALA HA 1.0 1.8 5.0 887 710 A 69 ALA HB% A 74 LYS HA 1.0 1.8 5.0 888 711 A 69 ALA HB% A 76 ARG HA 1.0 1.8 5.0 889 712 A 72 LEU H A 70 SER HBx 1.0 1.8 5.0 890 712 A 70 SER HBy A 72 LEU H 1.0 1.8 5.0 891 713 A 74 LYS H A 70 SER HBx 1.0 1.8 5.0 892 713 A 70 SER HBy A 74 LYS H 1.0 1.8 5.0 893 714 A 70 SER H A 75 GLN H 1.0 1.8 5.0 894 715 A 76 ARG HA A 70 SER H 1.0 1.8 5.0 895 716 A 75 GLN HA A 76 ARG H 1.0 1.8 3.5 896 717 A 76 ARG HA A 77 PHE H 1.0 1.8 3.5 897 718 A 85 MET H A 76 ARG H 1.0 1.8 5.0 898 719 A 76 ARG H A 86 GLU H 1.0 1.8 5.0 899 720 A 77 PHE HA A 78 ARG H 1.0 1.8 2.9 900 721 A 77 PHE HA A 84 CYS HA 1.0 1.8 5.0 901 722 A 77 PHE HA A 85 MET H 1.0 1.8 5.0 902 723 A 92 VAL HG1% A 77 PHE HE% 1.0 1.8 5.0 903 724 A 92 VAL HG2% A 77 PHE HE% 1.0 1.8 5.0 904 725 A 78 ARG HA A 79 LEU H 1.0 1.8 2.9 905 726 A 78 ARG HA A 80 SER H 1.0 1.8 5.0 906 727 A 78 ARG HBy A 83 LEU H 1.0 1.8 5.0 907 728 A 83 LEU H A 78 ARG HBx 1.0 1.8 5.0 908 729 A 80 SER H A 78 ARG HBx 1.0 1.8 5.0 909 729 A 78 ARG HBy A 80 SER H 1.0 1.8 5.0 910 730 A 81 ASP H A 78 ARG HBx 1.0 1.8 5.0 911 730 A 78 ARG HBy A 81 ASP H 1.0 1.8 5.0 912 731 A 82 GLY H A 78 ARG HBx 1.0 1.8 5.0 913 731 A 82 GLY H A 78 ARG HBy 1.0 1.8 5.0 914 732 A 80 SER H A 78 ARG HDy 1.0 1.8 5.0 915 732 A 78 ARG HDx A 80 SER H 1.0 1.8 5.0 916 733 A 81 ASP H A 78 ARG HDy 1.0 1.8 5.0 917 733 A 78 ARG HDx A 81 ASP H 1.0 1.8 5.0 918 734 A 80 SER H A 78 ARG HE 1.0 1.8 5.0 919 735 A 81 ASP H A 78 ARG HE 1.0 1.8 5.0 920 736 A 82 GLY H A 78 ARG HE 1.0 1.8 5.0 921 737 A 83 LEU HD2% A 78 ARG HE 1.0 1.8 5.0 922 738 A 80 SER H A 78 ARG HGx 1.0 1.8 5.0 923 739 A 81 ASP H A 78 ARG HGx 1.0 1.8 5.0 924 740 A 80 SER H A 78 ARG HGy 1.0 1.8 5.0 925 741 A 81 ASP H A 78 ARG HGy 1.0 1.8 5.0 926 742 A 81 ASP H A 78 ARG HH1% 1.0 1.8 5.0 927 742 A 81 ASP H A 78 ARG HH2% 1.0 1.8 5.0 928 743 A 83 LEU HD2% A 78 ARG HH1% 1.0 1.8 5.0 929 743 A 83 LEU HD2% A 78 ARG HH2% 1.0 1.8 5.0 930 744 A 83 LEU H A 78 ARG HH1% 1.0 1.8 5.0 931 744 A 83 LEU H A 78 ARG HH2% 1.0 1.8 5.0 932 745 A 78 ARG H A 83 LEU H 1.0 1.8 5.0 933 746 A 78 ARG H A 84 CYS HA 1.0 1.8 5.0 934 747 A 79 LEU HA A 82 GLY H 1.0 1.8 5.0 935 748 A 80 SER H A 81 ASP H 1.0 1.8 3.5 936 749 A 82 GLY H A 80 SER H 1.0 1.8 5.0 937 750 A 81 ASP HA A 94 HIS HBy 1.0 1.8 5.0 938 751 A 94 HIS HBx A 81 ASP HA 1.0 1.8 5.0 939 752 A 83 LEU H A 81 ASP HBx 1.0 1.8 5.0 940 752 A 83 LEU H A 81 ASP HBy 1.0 1.8 5.0 941 753 A 82 GLY H A 81 ASP H 1.0 1.8 2.5 942 754 A 83 LEU H A 81 ASP H 1.0 1.8 5.0 943 755 A 92 VAL HG2% A 82 GLY HAy 1.0 1.8 5.0 944 756 A 92 VAL HG2% A 82 GLY HAx 1.0 1.8 5.0 945 757 A 82 GLY H A 83 LEU H 1.0 1.8 3.5 946 758 A 82 GLY H A 94 HIS HBy 1.0 1.8 5.0 947 758 A 94 HIS HBx A 82 GLY H 1.0 1.8 5.0 948 759 A 83 LEU HA A 84 CYS H 1.0 1.8 3.5 949 760 A 83 LEU HA A 91 SER HA 1.0 1.8 5.0 950 761 A 83 LEU HA A 91 SER HBy 1.0 1.8 5.0 951 762 A 83 LEU HA A 91 SER HBx 1.0 1.8 5.0 952 763 A 83 LEU HA A 91 SER HG 1.0 1.8 5.0 953 764 A 83 LEU HA A 92 VAL H 1.0 1.8 5.0 954 765 A 83 LEU HD1% A 88 GLU HA 1.0 1.8 5.0 955 766 A 83 LEU HD1% A 88 GLU HB2 1.0 1.8 5.0 956 766 A 83 LEU HD1% A 88 GLU HB3 1.0 1.8 5.0 957 767 A 83 LEU HD1% A 88 GLU HG2 1.0 1.8 5.0 958 767 A 83 LEU HD1% A 88 GLU HG3 1.0 1.8 5.0 959 768 A 83 LEU HD1% A 91 SER HBy 1.0 1.8 5.0 960 768 A 83 LEU HD1% A 91 SER HBx 1.0 1.8 5.0 961 769 A 91 SER HG A 83 LEU HD1% 1.0 1.8 5.0 962 770 A 83 LEU HD1% A 91 SER H 1.0 1.8 5.0 963 771 A 83 LEU HD2% A 85 MET HA 1.0 1.8 5.0 964 772 A 83 LEU HD2% A 85 MET HG2 1.0 1.8 5.0 965 772 A 83 LEU HD2% A 85 MET HG3 1.0 1.8 5.0 966 773 A 83 LEU HD2% A 85 MET H 1.0 1.8 5.0 967 774 A 83 LEU HD2% A 88 GLU HB2 1.0 1.8 5.0 968 774 A 83 LEU HD2% A 88 GLU HB3 1.0 1.8 5.0 969 775 A 83 LEU HD2% A 88 GLU HG2 1.0 1.8 5.0 970 775 A 83 LEU HD2% A 88 GLU HG3 1.0 1.8 5.0 971 776 A 88 GLU HA A 83 LEU HG 1.0 1.8 5.0 972 777 A 83 LEU H A 91 SER HBy 1.0 1.8 5.0 973 777 A 83 LEU H A 91 SER HBx 1.0 1.8 5.0 974 778 A 85 MET H A 84 CYS HA 1.0 1.8 3.5 975 779 A 86 GLU H A 84 CYS HA 1.0 1.8 5.0 976 780 A 84 CYS HA A 87 ASP H 1.0 1.8 5.0 977 781 A 84 CYS HBx A 87 ASP HBx 1.0 1.8 5.0 978 781 A 84 CYS HBy A 87 ASP HBx 1.0 1.8 5.0 979 781 A 87 ASP HBy A 84 CYS HBx 1.0 1.8 5.0 980 781 A 84 CYS HBy A 87 ASP HBy 1.0 1.8 5.0 981 782 A 87 ASP H A 84 CYS HBx 1.0 1.8 5.0 982 782 A 87 ASP H A 84 CYS HBy 1.0 1.8 5.0 983 783 A 88 GLU HA A 84 CYS HBx 1.0 1.8 5.0 984 783 A 88 GLU HA A 84 CYS HBy 1.0 1.8 5.0 985 784 A 91 SER H A 84 CYS HBx 1.0 1.8 5.0 986 784 A 91 SER H A 84 CYS HBy 1.0 1.8 5.0 987 785 A 84 CYS H A 87 ASP HBx 1.0 1.8 5.0 988 785 A 84 CYS H A 87 ASP HBy 1.0 1.8 5.0 989 786 A 84 CYS H A 88 GLU HA 1.0 1.8 5.0 990 787 A 84 CYS H A 91 SER HA 1.0 1.8 5.0 991 788 A 84 CYS H A 91 SER HBy 1.0 1.8 5.0 992 788 A 84 CYS H A 91 SER HBx 1.0 1.8 5.0 993 789 A 84 CYS H A 91 SER HG 1.0 1.8 5.0 994 790 A 84 CYS H A 92 VAL H 1.0 1.8 5.0 995 791 A 85 MET HA A 87 ASP H 1.0 1.8 5.0 996 792 A 85 MET H A 87 ASP H 1.0 1.8 5.0 997 793 A 86 GLU H A 87 ASP H 1.0 1.8 3.5 998 794 A 87 ASP HA A 88 GLU H 1.0 1.8 3.5 999 795 A 87 ASP HA A 89 GLN H 1.0 1.8 5.0 1000 796 A 87 ASP HA A 90 PHE H 1.0 1.8 5.0 1001 797 A 91 SER H A 87 ASP HBx 1.0 1.8 5.0 1002 797 A 91 SER H A 87 ASP HBy 1.0 1.8 5.0 1003 798 A 88 GLU HA A 90 PHE H 1.0 1.8 5.0 1004 799 A 91 SER HG A 88 GLU HA 1.0 1.8 5.0 1005 800 A 88 GLU HA A 91 SER H 1.0 1.8 5.0 1006 801 A 89 GLN H A 90 PHE H 1.0 1.8 3.5 1007 802 A 90 PHE H A 91 SER HBy 1.0 1.8 5.0 1008 802 A 91 SER HBx A 90 PHE H 1.0 1.8 5.0 1009 803 A 91 SER HG A 90 PHE H 1.0 1.8 5.0 1010 804 A 93 LYS HA A 94 HIS H 1.0 1.8 3.5 1011 805 A 95 TYR HE% A 93 LYS HBx 1.0 1.8 5.0 1012 806 A 95 TYR HE% A 93 LYS HBy 1.0 1.8 5.0 1013 807 A 95 TYR HE% A 93 LYS HD2 1.0 1.8 5.0 1014 807 A 95 TYR HE% A 93 LYS HD3 1.0 1.8 5.0 1015 808 A 95 TYR HE% A 93 LYS HEx 1.0 1.8 5.0 1016 808 A 95 TYR HE% A 93 LYS HEy 1.0 1.8 5.0 1017 809 A 95 TYR HE% A 93 LYS HGy 1.0 1.8 5.0 1018 810 A 95 TYR HE% A 93 LYS HGx 1.0 1.8 5.0 1019 811 A 95 TYR H A 94 HIS HA 1.0 1.8 3.5 1020 812 A 94 HIS HE1 A 96 GLU HA 1.0 1.8 5.0 1021 813 A 94 HIS HE1 A 96 GLU HG2 1.0 1.8 5.0 1022 813 A 96 GLU HG3 A 94 HIS HE1 1.0 1.8 5.0 1023 814 A 95 TYR HA A 108 GLY HAy 1.0 1.8 5.0 1024 815 A 95 TYR HA A 108 GLY HAx 1.0 1.8 5.0 1025 816 A 95 TYR HA A 96 GLU H 1.0 1.8 3.5 1026 817 A 106 LEU HD1% A 95 TYR HBy 1.0 1.8 5.0 1027 818 A 106 LEU HD1% A 95 TYR HBx 1.0 1.8 5.0 1028 819 A 107 ARG H A 95 TYR HBy 1.0 1.8 5.0 1029 819 A 107 ARG H A 95 TYR HBx 1.0 1.8 5.0 1030 820 A 95 TYR HBx A 108 GLY HAy 1.0 1.8 5.0 1031 820 A 95 TYR HBy A 108 GLY HAy 1.0 1.8 5.0 1032 820 A 108 GLY HAx A 95 TYR HBy 1.0 1.8 5.0 1033 820 A 95 TYR HBx A 108 GLY HAx 1.0 1.8 5.0 1034 821 A 108 GLY H A 95 TYR HBy 1.0 1.8 5.0 1035 821 A 108 GLY H A 95 TYR HBx 1.0 1.8 5.0 1036 822 A 106 LEU HD1% A 95 TYR HD% 1.0 1.8 5.0 1037 823 A 95 TYR HD% A 108 GLY HAy 1.0 1.8 5.0 1038 824 A 95 TYR HD% A 108 GLY HAx 1.0 1.8 5.0 1039 825 A 95 TYR HE% A 108 GLY HAy 1.0 1.8 5.0 1040 825 A 95 TYR HE% A 108 GLY HAx 1.0 1.8 5.0 1041 826 A 95 TYR HE% A 109 GLY H 1.0 1.8 5.0 1042 827 A 97 ALA H A 96 GLU HA 1.0 1.8 2.9 1043 828 A 107 ARG HBy A 96 GLU HBy 1.0 1.8 5.0 1044 829 A 96 GLU HBy A 107 ARG HBx 1.0 1.8 5.0 1045 830 A 107 ARG HG3 A 96 GLU HBy 1.0 1.8 5.0 1046 830 A 96 GLU HBy A 107 ARG HG2 1.0 1.8 5.0 1047 831 A 107 ARG HBy A 96 GLU HBx 1.0 1.8 5.0 1048 832 A 96 GLU HBx A 107 ARG HBx 1.0 1.8 5.0 1049 833 A 107 ARG HG3 A 96 GLU HBx 1.0 1.8 5.0 1050 833 A 96 GLU HBx A 107 ARG HG2 1.0 1.8 5.0 1051 834 A 107 ARG HA A 96 GLU HBx 1.0 1.8 5.0 1052 834 A 107 ARG HA A 96 GLU HBy 1.0 1.8 5.0 1053 835 A 96 GLU HBy A 107 ARG HDy 1.0 1.8 5.0 1054 835 A 96 GLU HBx A 107 ARG HDy 1.0 1.8 5.0 1055 835 A 107 ARG HDx A 96 GLU HBx 1.0 1.8 5.0 1056 835 A 107 ARG HDx A 96 GLU HBy 1.0 1.8 5.0 1057 836 A 107 ARG H A 96 GLU HBx 1.0 1.8 5.0 1058 836 A 107 ARG H A 96 GLU HBy 1.0 1.8 5.0 1059 837 A 106 LEU HD2% A 96 GLU H 1.0 1.8 5.0 1060 838 A 96 GLU H A 107 ARG HBx 1.0 1.8 5.0 1061 838 A 107 ARG HBy A 96 GLU H 1.0 1.8 5.0 1062 839 A 96 GLU H A 107 ARG HG2 1.0 1.8 5.0 1063 839 A 107 ARG HG3 A 96 GLU H 1.0 1.8 5.0 1064 840 A 107 ARG H A 96 GLU H 1.0 1.8 5.0 1065 841 A 96 GLU H A 108 GLY HAy 1.0 1.8 5.0 1066 842 A 96 GLU H A 108 GLY HAx 1.0 1.8 5.0 1067 843 A 97 ALA HA A 104 VAL HG1% 1.0 1.8 5.0 1068 844 A 106 LEU HA A 97 ALA HA 1.0 1.8 4.0 1069 845 A 97 ALA HA A 106 LEU HD2% 1.0 1.8 5.0 1070 846 A 107 ARG H A 97 ALA HA 1.0 1.8 5.0 1071 847 A 97 ALA HA A 98 ARG H 1.0 1.8 2.9 1072 848 A 97 ALA HB% A 104 VAL HG1% 1.0 1.8 5.0 1073 849 A 97 ALA HB% A 105 GLN H 1.0 1.8 5.0 1074 850 A 106 LEU HA A 97 ALA HB% 1.0 1.8 5.0 1075 851 A 98 ARG HA A 99 VAL H 1.0 1.8 3.5 1076 852 A 98 ARG HE A 100 LYS HBy 1.0 1.8 5.0 1077 853 A 98 ARG HE A 100 LYS HBx 1.0 1.8 5.0 1078 854 A 98 ARG HE A 100 LYS HDy 1.0 1.8 5.0 1079 855 A 98 ARG HE A 100 LYS HDx 1.0 1.8 5.0 1080 856 A 98 ARG HE A 100 LYS H 1.0 1.8 5.0 1081 857 A 98 ARG HE A 105 GLN HBy 1.0 1.8 5.0 1082 857 A 105 GLN HBx A 98 ARG HE 1.0 1.8 5.0 1083 858 A 98 ARG H A 104 VAL HG1% 1.0 1.8 5.0 1084 859 A 98 ARG H A 105 GLN HBy 1.0 1.8 5.0 1085 860 A 105 GLN HBx A 98 ARG H 1.0 1.8 5.0 1086 861 A 98 ARG H A 105 GLN H 1.0 1.8 5.0 1087 862 A 106 LEU HA A 98 ARG H 1.0 1.8 5.0 1088 863 A 98 ARG H A 106 LEU HD2% 1.0 1.8 5.0 1089 864 A 100 LYS H A 99 VAL HA 1.0 1.8 2.9 1090 865 A 103 VAL H A 99 VAL HA 1.0 1.8 5.0 1091 866 A 104 VAL HA A 99 VAL HA 1.0 1.8 5.0 1092 867 A 105 GLN H A 99 VAL HA 1.0 1.8 5.0 1093 868 A 102 GLY H A 99 VAL HB 1.0 1.8 5.0 1094 869 A 99 VAL HG1% A 102 GLY HAy 1.0 1.8 5.0 1095 870 A 102 GLY HAx A 99 VAL HG1% 1.0 1.8 5.0 1096 871 A 99 VAL HG1% A 102 GLY H 1.0 1.8 5.0 1097 872 A 99 VAL HG1% A 103 VAL H 1.0 1.8 5.0 1098 873 A 99 VAL HG1% A 104 VAL HA 1.0 1.8 5.0 1099 874 A 99 VAL HG2% A 104 VAL HA 1.0 1.8 5.0 1100 875 A 99 VAL HG2% A 105 GLN H 1.0 1.8 5.0 1101 876 A 105 GLN H A 99 VAL H 1.0 1.8 5.0 1102 877 A 102 GLY H A 100 LYS HA 1.0 1.8 5.0 1103 878 A 103 VAL H A 100 LYS HA 1.0 1.8 5.0 1104 879 A 103 VAL H A 100 LYS HBy 1.0 1.8 5.0 1105 880 A 105 GLN HE22 A 100 LYS HBy 1.0 1.8 5.0 1106 881 A 103 VAL H A 100 LYS HBx 1.0 1.8 5.0 1107 882 A 105 GLN HE22 A 100 LYS HBx 1.0 1.8 5.0 1108 883 A 105 GLN HE21 A 100 LYS HBy 1.0 1.8 5.0 1109 883 A 105 GLN HE21 A 100 LYS HBx 1.0 1.8 5.0 1110 884 A 105 GLN H A 100 LYS HBy 1.0 1.8 5.0 1111 884 A 105 GLN H A 100 LYS HBx 1.0 1.8 5.0 1112 885 A 105 GLN HE21 A 100 LYS HDy 1.0 1.8 5.0 1113 886 A 105 GLN HE22 A 100 LYS HDy 1.0 1.8 5.0 1114 887 A 105 GLN HE21 A 100 LYS HDx 1.0 1.8 5.0 1115 888 A 105 GLN HE22 A 100 LYS HDx 1.0 1.8 5.0 1116 889 A 105 GLN HE21 A 100 LYS HE2 1.0 1.8 5.0 1117 889 A 105 GLN HE21 A 100 LYS HE3 1.0 1.8 5.0 1118 890 A 105 GLN HE22 A 100 LYS HE2 1.0 1.8 5.0 1119 890 A 105 GLN HE22 A 100 LYS HE3 1.0 1.8 5.0 1120 891 A 103 VAL H A 100 LYS HGx 1.0 1.8 5.0 1121 891 A 103 VAL H A 100 LYS HGy 1.0 1.8 5.0 1122 892 A 102 GLY H A 100 LYS H 1.0 1.8 5.0 1123 893 A 100 LYS H A 103 VAL HB 1.0 1.8 5.0 1124 894 A 103 VAL H A 100 LYS H 1.0 1.8 5.0 1125 895 A 104 VAL HA A 100 LYS H 1.0 1.8 5.0 1126 896 A 100 LYS H A 105 GLN HGx 1.0 1.8 5.0 1127 896 A 105 GLN HGy A 100 LYS H 1.0 1.8 5.0 1128 897 A 103 VAL H A 101 ASP HA 1.0 1.8 5.0 1129 898 A 103 VAL HG2% A 101 ASP HBy 1.0 1.8 5.0 1130 899 A 103 VAL HG2% A 101 ASP HBx 1.0 1.8 5.0 1131 900 A 102 GLY H A 103 VAL HB 1.0 1.8 5.0 1132 901 A 104 VAL H A 103 VAL HA 1.0 1.8 2.9 1133 902 A 105 GLN HA A 103 VAL HG1% 1.0 1.8 5.0 1134 903 A 103 VAL HG1% A 105 GLN HE21 1.0 1.8 5.0 1135 904 A 103 VAL HG1% A 105 GLN HE22 1.0 1.8 5.0 1136 905 A 103 VAL HG1% A 105 GLN HGx 1.0 1.8 5.0 1137 905 A 103 VAL HG1% A 105 GLN HGy 1.0 1.8 5.0 1138 906 A 103 VAL H A 105 GLN HGx 1.0 1.8 5.0 1139 906 A 105 GLN HGy A 103 VAL H 1.0 1.8 5.0 1140 907 A 104 VAL HA A 105 GLN H 1.0 1.8 2.9 1141 908 A 106 LEU H A 105 GLN HA 1.0 1.8 3.5 1142 909 A 106 LEU HA A 107 ARG H 1.0 1.8 2.9 1143 910 A 107 ARG HA A 108 GLY H 1.0 1.8 2.9 1144 911 A 109 GLY H A 108 GLY HAy 1.0 1.8 3.5 1145 912 A 109 GLY H A 108 GLY HAx 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 LYS H A 106 LEU C 1.0 2.9 3.4 2 2 A 5 LYS H A 106 LEU O 1.0 1.7 2.3 3 3 A 106 LEU O A 5 LYS N 1.0 2.7 3.2 4 4 A 17 THR H A 32 ARG C 1.0 2.9 3.4 5 5 A 17 THR H A 32 ARG O 1.0 1.7 2.3 6 6 A 32 ARG O A 17 THR N 1.0 2.7 3.2 7 7 A 19 VAL H A 30 ILE C 1.0 2.9 3.4 8 8 A 19 VAL H A 30 ILE O 1.0 1.7 2.3 9 9 A 30 ILE O A 19 VAL N 1.0 2.7 3.2 10 10 A 21 ALA H A 28 VAL C 1.0 2.9 3.4 11 11 A 21 ALA H A 28 VAL O 1.0 1.7 2.3 12 12 A 28 VAL O A 21 ALA N 1.0 2.7 3.2 13 13 A 28 VAL H A 21 ALA C 1.0 2.9 3.4 14 14 A 28 VAL H A 21 ALA O 1.0 1.7 2.3 15 15 A 21 ALA O A 28 VAL N 1.0 2.7 3.2 16 16 A 29 ALA H A 42 ILE C 1.0 2.9 3.4 17 17 A 29 ALA H A 42 ILE O 1.0 1.7 2.3 18 18 A 42 ILE O A 29 ALA N 1.0 2.7 3.2 19 19 A 30 ILE H A 19 VAL C 1.0 2.9 3.4 20 20 A 30 ILE H A 19 VAL O 1.0 1.7 2.3 21 21 A 19 VAL O A 30 ILE N 1.0 2.7 3.2 22 22 A 31 PHE H A 40 PHE C 1.0 2.9 3.4 23 23 A 31 PHE H A 40 PHE O 1.0 1.7 2.3 24 24 A 40 PHE O A 31 PHE N 1.0 2.7 3.2 25 25 A 32 ARG H A 17 THR C 1.0 2.9 3.4 26 26 A 32 ARG H A 17 THR O 1.0 1.7 2.3 27 27 A 17 THR O A 32 ARG N 1.0 2.7 3.2 28 28 A 40 PHE H A 31 PHE C 1.0 2.9 3.4 29 29 A 40 PHE H A 31 PHE O 1.0 1.7 2.3 30 30 A 31 PHE O A 40 PHE N 1.0 2.7 3.2 31 31 A 42 ILE H A 29 ALA C 1.0 2.9 3.4 32 32 A 42 ILE H A 29 ALA O 1.0 1.7 2.3 33 33 A 29 ALA O A 42 ILE N 1.0 2.7 3.2 34 34 A 60 ALA H A 67 TRP C 1.0 2.9 3.4 35 35 A 60 ALA H A 67 TRP O 1.0 1.7 2.3 36 36 A 67 TRP O A 60 ALA N 1.0 2.7 3.2 37 37 A 67 TRP H A 60 ALA C 1.0 2.9 3.4 38 38 A 67 TRP H A 60 ALA O 1.0 1.7 2.3 39 39 A 60 ALA O A 67 TRP N 1.0 2.7 3.2 40 40 A 68 VAL H A 77 PHE C 1.0 2.9 3.4 41 41 A 68 VAL H A 77 PHE O 1.0 1.7 2.3 42 42 A 77 PHE O A 68 VAL N 1.0 2.7 3.2 43 43 A 69 ALA H A 58 LEU C 1.0 2.9 3.4 44 44 A 69 ALA H A 58 LEU O 1.0 1.7 2.3 45 45 A 58 LEU O A 69 ALA N 1.0 2.7 3.2 46 46 A 77 PHE H A 68 VAL C 1.0 2.9 3.4 47 47 A 77 PHE H A 68 VAL O 1.0 1.7 2.3 48 48 A 68 VAL O A 77 PHE N 1.0 2.7 3.2 49 49 A 85 MET H A 76 ARG C 1.0 2.9 3.4 50 50 A 85 MET H A 76 ARG O 1.0 1.7 2.3 51 51 A 76 ARG O A 85 MET N 1.0 2.7 3.2 52 52 A 95 TYR H A 41 ALA C 1.0 2.9 3.4 53 53 A 95 TYR H A 41 ALA O 1.0 1.7 2.3 54 54 A 41 ALA O A 95 TYR N 1.0 2.7 3.2 55 55 A 96 GLU H A 107 ARG C 1.0 2.9 3.4 56 56 A 96 GLU H A 107 ARG O 1.0 1.7 2.3 57 57 A 107 ARG O A 96 GLU N 1.0 2.7 3.2 58 58 A 98 ARG H A 105 GLN C 1.0 2.9 3.4 59 59 A 98 ARG H A 105 GLN O 1.0 1.7 2.3 60 60 A 105 GLN O A 98 ARG N 1.0 2.7 3.2 61 61 A 105 GLN H A 98 ARG C 1.0 2.9 3.4 62 62 A 105 GLN H A 98 ARG O 1.0 1.7 2.3 63 63 A 98 ARG O A 105 GLN N 1.0 2.7 3.2 64 64 A 106 LEU H A 5 LYS C 1.0 2.9 3.4 65 65 A 106 LEU H A 5 LYS O 1.0 1.7 2.3 66 66 A 5 LYS O A 106 LEU N 1.0 2.7 3.2 67 67 A 107 ARG H A 96 GLU C 1.0 2.9 3.4 68 68 A 107 ARG H A 96 GLU O 1.0 1.7 2.3 69 69 A 96 GLU O A 107 ARG N 1.0 2.7 3.2 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 4 TRP C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -131.69 -71.69 PHI 2 2 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 ASP N 1.0 100.00 180.00 PSI 3 3 A 5 LYS C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -115.65 -55.65 PHI 4 4 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 ILE N 1.0 94.19 174.19 PSI 5 5 A 11 ASP C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -116.53 -56.53 PHI 6 6 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -58.58 21.42 PSI 7 7 A 13 ILE C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -108.71 -48.71 PHI 8 8 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 PRO N 1.0 101.39 181.39 PSI 9 9 A 15 PRO C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 29.95 89.95 PHI 10 10 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 THR N 1.0 -5.45 74.55 PSI 11 11 A 18 GLY C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -156.40 -96.40 PHI 12 12 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 CYS N 1.0 116.80 196.80 PSI 13 13 A 19 VAL C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -137.41 -77.41 PHI 14 14 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ALA N 1.0 85.48 165.48 PSI 15 15 A 20 CYS C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -158.03 -98.03 PHI 16 16 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 LEU N 1.0 106.42 186.42 PSI 17 17 A 21 ALA C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -145.44 -85.44 PHI 18 18 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 LEU N 1.0 94.86 174.86 PSI 19 19 A 22 LEU C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -149.34 -89.34 PHI 20 20 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLY N 1.0 83.19 163.19 PSI 21 21 A 23 LEU C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 37.55 97.55 PHI 22 22 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 ASP N 1.0 -159.71 -79.71 PSI 23 23 A 24 GLY C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -129.45 -69.45 PHI 24 24 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 GLU N 1.0 -44.42 35.58 PSI 25 25 A 26 GLU C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -117.82 -57.82 PHI 26 26 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 VAL N 1.0 83.95 163.95 PSI 27 27 A 27 GLN C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -145.85 -85.85 PHI 28 28 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ALA N 1.0 90.32 170.32 PSI 29 29 A 28 VAL C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -134.93 -74.93 PHI 30 30 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ILE N 1.0 91.05 171.05 PSI 31 31 A 29 ALA C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -131.69 -71.69 PHI 32 32 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 PHE N 1.0 94.77 174.77 PSI 33 33 A 30 ILE C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -148.11 -88.11 PHI 34 34 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 ARG N 1.0 103.16 183.16 PSI 35 35 A 31 PHE C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -157.52 -97.52 PHI 36 36 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 PRO N 1.0 100.27 180.27 PSI 37 37 A 33 PRO C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -150.12 -90.12 PHI 38 38 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 HIS N 1.0 116.72 196.72 PSI 39 39 A 38 GLN C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -161.06 -101.06 PHI 40 40 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 PHE N 1.0 114.00 194.00 PSI 41 41 A 39 VAL C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -161.18 -101.18 PHI 42 42 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 ALA N 1.0 101.29 181.29 PSI 43 43 A 40 PHE C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -156.11 -96.11 PHI 44 44 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 ILE N 1.0 101.48 181.48 PSI 45 45 A 41 ALA C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -164.05 -104.05 PHI 46 46 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 SER N 1.0 107.09 187.09 PSI 47 47 A 44 ASN C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -127.47 -67.47 PHI 48 48 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 ASP N 1.0 86.19 166.19 PSI 49 49 A 45 ILE C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -117.51 -57.51 PHI 50 50 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 PRO N 1.0 95.62 175.62 PSI 51 51 A 47 PRO C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -91.45 -31.45 PHI 52 52 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 PHE N 1.0 -67.27 12.73 PSI 53 53 A 48 PHE C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -125.83 -65.83 PHI 54 54 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 GLU N 1.0 -50.99 29.01 PSI 55 55 A 50 GLU C A 51 SER N A 51 SER CA A 51 SER C 1.0 -162.51 -102.51 PHI 56 56 A 51 SER N A 51 SER CA A 51 SER C A 52 SER N 1.0 114.18 194.18 PSI 57 57 A 52 SER C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -128.42 -68.42 PHI 58 58 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 LEU N 1.0 124.53 204.53 PSI 59 59 A 53 VAL C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -92.21 -32.21 PHI 60 60 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 SER N 1.0 -78.18 1.82 PSI 61 61 A 54 LEU C A 55 SER N A 55 SER CA A 55 SER C 1.0 -92.62 -32.62 PHI 62 62 A 55 SER N A 55 SER CA A 55 SER C A 56 ARG N 1.0 -78.20 1.80 PSI 63 63 A 55 SER C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -130.40 -70.40 PHI 64 64 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 GLY N 1.0 -39.37 40.63 PSI 65 65 A 56 ARG C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 -194.92 -134.92 PHI 66 66 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 LEU N 1.0 84.61 164.61 PSI 67 67 A 57 GLY C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -127.56 -67.56 PHI 68 68 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ILE N 1.0 85.63 165.63 PSI 69 69 A 58 LEU C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -134.84 -74.84 PHI 70 70 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 ALA N 1.0 87.95 167.95 PSI 71 71 A 59 ILE C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -156.00 -96.00 PHI 72 72 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLU N 1.0 107.96 187.96 PSI 73 73 A 60 ALA C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -133.18 -73.18 PHI 74 74 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 HIS N 1.0 93.11 173.11 PSI 75 75 A 64 GLY C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -148.70 -88.70 PHI 76 76 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 LEU N 1.0 113.32 193.32 PSI 77 77 A 65 GLU C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -134.60 -74.60 PHI 78 78 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 TRP N 1.0 90.57 170.57 PSI 79 79 A 66 LEU C A 67 TRP N A 67 TRP CA A 67 TRP C 1.0 -153.60 -93.60 PHI 80 80 A 67 TRP N A 67 TRP CA A 67 TRP C A 68 VAL N 1.0 105.83 185.83 PSI 81 81 A 67 TRP C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -156.64 -96.64 PHI 82 82 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ALA N 1.0 105.48 185.48 PSI 83 83 A 68 VAL C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -136.84 -76.84 PHI 84 84 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 SER N 1.0 86.47 166.47 PSI 85 85 A 69 ALA C A 70 SER N A 70 SER CA A 70 SER C 1.0 -138.12 -78.12 PHI 86 86 A 70 SER N A 70 SER CA A 70 SER C A 71 PRO N 1.0 106.93 186.93 PSI 87 87 A 75 GLN C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -155.91 -95.91 PHI 88 88 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 PHE N 1.0 104.91 184.91 PSI 89 89 A 76 ARG C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -155.63 -95.63 PHI 90 90 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 ARG N 1.0 82.92 162.92 PSI 91 91 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -95.51 -35.51 PHI 92 92 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 SER N 1.0 -74.44 5.56 PSI 93 93 A 79 LEU C A 80 SER N A 80 SER CA A 80 SER C 1.0 -96.89 -36.89 PHI 94 94 A 80 SER N A 80 SER CA A 80 SER C A 81 ASP N 1.0 -77.15 2.85 PSI 95 95 A 82 GLY C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -102.17 -42.17 PHI 96 96 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 CYS N 1.0 96.44 176.44 PSI 97 97 A 83 LEU C A 84 CYS N A 84 CYS CA A 84 CYS C 1.0 -128.75 -68.75 PHI 98 98 A 84 CYS N A 84 CYS CA A 84 CYS C A 85 MET N 1.0 85.30 165.30 PSI 99 99 A 84 CYS C A 85 MET N A 85 MET CA A 85 MET C 1.0 -89.23 -29.23 PHI 100 100 A 85 MET N A 85 MET CA A 85 MET C A 86 GLU N 1.0 -72.23 7.77 PSI 101 101 A 85 MET C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -92.57 -32.57 PHI 102 102 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 ASP N 1.0 -76.54 3.46 PSI 103 103 A 86 GLU C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -106.96 -46.96 PHI 104 104 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 GLU N 1.0 -70.07 9.93 PSI 105 105 A 87 ASP C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -94.07 -34.07 PHI 106 106 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 GLN N 1.0 -70.33 9.67 PSI 107 107 A 88 GLU C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -104.53 -44.53 PHI 108 108 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 PHE N 1.0 -60.21 19.79 PSI 109 109 A 91 SER C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -150.89 -90.89 PHI 110 110 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 LYS N 1.0 115.71 195.71 PSI 111 111 A 93 LYS C A 94 HIS N A 94 HIS CA A 94 HIS C 1.0 -144.84 -84.84 PHI 112 112 A 94 HIS N A 94 HIS CA A 94 HIS C A 95 TYR N 1.0 92.48 172.48 PSI 113 113 A 94 HIS C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -152.99 -92.99 PHI 114 114 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 GLU N 1.0 89.04 169.04 PSI 115 115 A 96 GLU C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -161.47 -101.47 PHI 116 116 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 ARG N 1.0 115.52 195.52 PSI 117 117 A 97 ALA C A 98 ARG N A 98 ARG CA A 98 ARG C 1.0 -178.36 -118.36 PHI 118 118 A 98 ARG N A 98 ARG CA A 98 ARG C A 99 VAL N 1.0 111.61 191.61 PSI 119 119 A 98 ARG C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -140.80 -80.80 PHI 120 120 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 LYS N 1.0 86.01 166.01 PSI 121 121 A 99 VAL C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -143.35 -83.35 PHI 122 122 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ASP N 1.0 78.45 158.45 PSI 123 123 A 100 LYS C A 101 ASP N A 101 ASP CA A 101 ASP C 1.0 20.16 80.16 PHI 124 124 A 101 ASP N A 101 ASP CA A 101 ASP C A 102 GLY N 1.0 3.32 83.32 PSI 125 125 A 101 ASP C A 102 GLY N A 102 GLY CA A 102 GLY C 1.0 52.25 112.25 PHI 126 126 A 102 GLY N A 102 GLY CA A 102 GLY C A 103 VAL N 1.0 -40.03 39.97 PSI 127 127 A 102 GLY C A 103 VAL N A 103 VAL CA A 103 VAL C 1.0 -131.87 -71.87 PHI 128 128 A 103 VAL N A 103 VAL CA A 103 VAL C A 104 VAL N 1.0 94.36 174.36 PSI 129 129 A 103 VAL C A 104 VAL N A 104 VAL CA A 104 VAL C 1.0 -134.47 -74.47 PHI 130 130 A 104 VAL N A 104 VAL CA A 104 VAL C A 105 GLN N 1.0 86.73 166.73 PSI 131 131 A 104 VAL C A 105 GLN N A 105 GLN CA A 105 GLN C 1.0 -155.40 -95.40 PHI 132 132 A 105 GLN N A 105 GLN CA A 105 GLN C A 106 LEU N 1.0 117.18 197.18 PSI 133 133 A 105 GLN C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -168.15 -108.15 PHI 134 134 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 ARG N 1.0 106.04 186.04 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 12001.2 2 1H 8542.97 3 15N 2699.97 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 12001 2 1H 8543 3 13C 4523 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 12001 2 1H 8543 3 13C 5653 stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8000 2 1H 4202 3 13C 3124 stop_ save_