data_nef_c18156_2lna save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 LYS middle . . 13 A 13 ARG middle . . 14 A 14 SER middle . . 15 A 15 GLY middle . false 16 A 16 ARG middle . . 17 A 17 GLU middle . . 18 A 18 ILE middle . . 19 A 19 THR middle . . 20 A 20 TRP middle . . 21 A 21 LYS middle . . 22 A 22 ASP middle . . 23 A 23 PHE middle . . 24 A 24 VAL middle . . 25 A 25 ASN middle . . 26 A 26 ASN middle . . 27 A 27 TYR middle . . 28 A 28 LEU middle . . 29 A 29 SER middle . . 30 A 30 LYS middle . . 31 A 31 GLY middle . false 32 A 32 VAL middle . . 33 A 33 VAL middle . . 34 A 34 ASP middle . . 35 A 35 ARG middle . . 36 A 36 LEU middle . . 37 A 37 GLU middle . . 38 A 38 VAL middle . . 39 A 39 VAL middle . . 40 A 40 ASN middle . . 41 A 41 LYS middle . . 42 A 42 ARG middle . . 43 A 43 PHE middle . . 44 A 44 VAL middle . . 45 A 45 ARG middle . . 46 A 46 VAL middle . . 47 A 47 THR middle . . 48 A 48 PHE middle . . 49 A 49 THR middle . . 50 A 50 PRO middle . false 51 A 51 GLY middle . false 52 A 52 LYS middle . . 53 A 53 THR middle . . 54 A 54 PRO middle . false 55 A 55 VAL middle . . 56 A 56 ASP middle . . 57 A 57 GLY middle . false 58 A 58 GLN middle . . 59 A 59 TYR middle . . 60 A 60 VAL middle . . 61 A 61 TRP middle . . 62 A 62 PHE middle . . 63 A 63 ASN middle . . 64 A 64 ILE middle . . 65 A 65 GLY middle . false 66 A 66 SER middle . . 67 A 67 VAL middle . . 68 A 68 ASP middle . . 69 A 69 THR middle . . 70 A 70 PHE middle . . 71 A 71 GLU middle . . 72 A 72 ARG middle . . 73 A 73 ASN middle . . 74 A 74 LEU middle . . 75 A 75 GLU middle . . 76 A 76 THR middle . . 77 A 77 LEU middle . . 78 A 78 GLN middle . . 79 A 79 GLN middle . . 80 A 80 GLU middle . . 81 A 81 LEU middle . . 82 A 82 GLY middle . false 83 A 83 ILE middle . . 84 A 84 GLU middle . . 85 A 85 GLY middle . false 86 A 86 GLU middle . . 87 A 87 ASN middle . . 88 A 88 ARG middle . . 89 A 89 VAL middle . . 90 A 90 PRO middle . false 91 A 91 VAL middle . . 92 A 92 VAL middle . . 93 A 93 TYR middle . . 94 A 94 ILE middle . . 95 A 95 ALA middle . . 96 A 96 GLU middle . . 97 A 97 SER middle . . 98 A 98 ASP middle . . 99 A 99 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY HAx H 1 3.80 0.02 A 2 GLY HAy H 1 3.80 0.02 A 2 GLY CA C 13 43.5 0.2 A 10 HIS HA H 1 4.59 0.02 A 10 HIS HBx H 1 3.10 0.02 A 10 HIS HBy H 1 3.10 0.02 A 10 HIS C C 13 175.5 0.2 A 10 HIS CA C 13 56.5 0.2 A 10 HIS CB C 13 30.2 0.2 A 11 MET H H 1 8.21 0.02 A 11 MET HA H 1 4.29 0.02 A 11 MET HBx H 1 1.85 0.02 A 11 MET HBy H 1 1.85 0.02 A 11 MET HGx H 1 2.33 0.02 A 11 MET HGy H 1 2.33 0.02 A 11 MET C C 13 176.3 0.2 A 11 MET CA C 13 55.9 0.2 A 11 MET CB C 13 32.7 0.2 A 11 MET CG C 13 31.9 0.2 A 11 MET N N 15 120.9 0.2 A 12 LYS H H 1 8.30 0.02 A 12 LYS HA H 1 4.13 0.02 A 12 LYS HBx H 1 1.66 0.02 A 12 LYS HBy H 1 1.66 0.02 A 12 LYS HDx H 1 1.46 0.02 A 12 LYS HDy H 1 1.46 0.02 A 12 LYS HEx H 1 2.70 0.02 A 12 LYS HEy H 1 2.70 0.02 A 12 LYS HGx H 1 1.15 0.02 A 12 LYS HGy H 1 1.23 0.02 A 12 LYS C C 13 176.7 0.2 A 12 LYS CA C 13 56.8 0.2 A 12 LYS CB C 13 32.8 0.2 A 12 LYS CD C 13 29.2 0.2 A 12 LYS CE C 13 41.9 0.2 A 12 LYS CG C 13 24.7 0.2 A 12 LYS N N 15 122.1 0.2 A 13 ARG H H 1 8.16 0.02 A 13 ARG HA H 1 4.27 0.02 A 13 ARG HBx H 1 1.63 0.02 A 13 ARG HBy H 1 1.63 0.02 A 13 ARG HDx H 1 2.60 0.02 A 13 ARG HDy H 1 2.66 0.02 A 13 ARG HGx H 1 1.36 0.02 A 13 ARG HGy H 1 1.44 0.02 A 13 ARG C C 13 176.2 0.2 A 13 ARG CA C 13 56.2 0.2 A 13 ARG CB C 13 30.8 0.2 A 13 ARG CD C 13 43.0 0.2 A 13 ARG CG C 13 27.0 0.2 A 13 ARG N N 15 121.5 0.2 A 14 SER H H 1 8.16 0.02 A 14 SER HA H 1 4.53 0.02 A 14 SER HBx H 1 3.86 0.02 A 14 SER HBy H 1 3.86 0.02 A 14 SER C C 13 173.6 0.2 A 14 SER CA C 13 58.3 0.2 A 14 SER CB C 13 64.1 0.2 A 14 SER N N 15 116.7 0.2 A 15 GLY H H 1 8.10 0.02 A 15 GLY HAx H 1 3.57 0.02 A 15 GLY HAy H 1 4.09 0.02 A 15 GLY C C 13 173.0 0.2 A 15 GLY CA C 13 44.7 0.2 A 15 GLY N N 15 109.3 0.2 A 16 ARG H H 1 8.46 0.02 A 16 ARG HA H 1 4.53 0.02 A 16 ARG HBx H 1 1.71 0.02 A 16 ARG HBy H 1 1.82 0.02 A 16 ARG HDx H 1 3.20 0.02 A 16 ARG HDy H 1 3.20 0.02 A 16 ARG HE H 1 7.29 0.02 A 16 ARG HGx H 1 1.50 0.02 A 16 ARG HGy H 1 1.57 0.02 A 16 ARG C C 13 173.2 0.2 A 16 ARG CA C 13 55.3 0.2 A 16 ARG CB C 13 32.9 0.2 A 16 ARG CD C 13 43.5 0.2 A 16 ARG CG C 13 27.4 0.2 A 16 ARG N N 15 122.3 0.2 A 16 ARG NE N 15 84.9 0.2 A 17 GLU H H 1 8.19 0.02 A 17 GLU HA H 1 3.22 0.02 A 17 GLU HBx H 1 1.21 0.02 A 17 GLU HBy H 1 1.48 0.02 A 17 GLU HGx H 1 0.69 0.02 A 17 GLU HGy H 1 1.70 0.02 A 17 GLU C C 13 177.0 0.2 A 17 GLU CA C 13 55.0 0.2 A 17 GLU CB C 13 30.1 0.2 A 17 GLU CG C 13 35.1 0.2 A 17 GLU N N 15 126.8 0.2 A 18 ILE H H 1 8.87 0.02 A 18 ILE HA H 1 4.96 0.02 A 18 ILE HB H 1 2.29 0.02 A 18 ILE HD1% H 1 0.88 0.02 A 18 ILE HG1x H 1 1.06 0.02 A 18 ILE HG1y H 1 1.44 0.02 A 18 ILE HG2% H 1 0.97 0.02 A 18 ILE C C 13 174.6 0.2 A 18 ILE CA C 13 59.2 0.2 A 18 ILE CB C 13 41.9 0.2 A 18 ILE CD1 C 13 15.4 0.2 A 18 ILE CG1 C 13 25.4 0.2 A 18 ILE CG2 C 13 17.5 0.2 A 18 ILE N N 15 122.6 0.2 A 19 THR H H 1 8.14 0.02 A 19 THR HA H 1 4.76 0.02 A 19 THR HB H 1 4.76 0.02 A 19 THR HG1 H 1 5.17 0.02 A 19 THR HG2% H 1 1.36 0.02 A 19 THR C C 13 175.4 0.2 A 19 THR CA C 13 59.8 0.2 A 19 THR CB C 13 72.1 0.2 A 19 THR CG2 C 13 21.8 0.2 A 19 THR N N 15 108.7 0.2 A 20 TRP H H 1 9.06 0.02 A 20 TRP HA H 1 3.90 0.02 A 20 TRP HBx H 1 3.22 0.02 A 20 TRP HBy H 1 3.43 0.02 A 20 TRP HD1 H 1 7.20 0.02 A 20 TRP HE1 H 1 10.34 0.02 A 20 TRP HH2 H 1 6.98 0.02 A 20 TRP HZ2 H 1 7.30 0.02 A 20 TRP HZ3 H 1 7.21 0.02 A 20 TRP C C 13 176.6 0.2 A 20 TRP CA C 13 60.0 0.2 A 20 TRP CB C 13 29.3 0.2 A 20 TRP CD1 C 13 127.9 0.2 A 20 TRP CH2 C 13 122.3 0.2 A 20 TRP CZ2 C 13 114.7 0.2 A 20 TRP CZ3 C 13 121.2 0.2 A 20 TRP N N 15 121.9 0.2 A 20 TRP NE1 N 15 129.6 0.2 A 21 LYS H H 1 8.32 0.02 A 21 LYS HA H 1 3.66 0.02 A 21 LYS HBx H 1 1.69 0.02 A 21 LYS HBy H 1 1.88 0.02 A 21 LYS HDx H 1 1.70 0.02 A 21 LYS HDy H 1 1.70 0.02 A 21 LYS HEx H 1 3.01 0.02 A 21 LYS HEy H 1 3.01 0.02 A 21 LYS HGx H 1 1.41 0.02 A 21 LYS HGy H 1 1.52 0.02 A 21 LYS C C 13 178.2 0.2 A 21 LYS CA C 13 59.7 0.2 A 21 LYS CB C 13 32.2 0.2 A 21 LYS CD C 13 29.3 0.2 A 21 LYS CE C 13 42.0 0.2 A 21 LYS CG C 13 25.0 0.2 A 21 LYS N N 15 116.9 0.2 A 22 ASP H H 1 7.67 0.02 A 22 ASP HA H 1 4.27 0.02 A 22 ASP HBx H 1 2.82 0.02 A 22 ASP HBy H 1 2.93 0.02 A 22 ASP C C 13 178.5 0.2 A 22 ASP CA C 13 57.0 0.2 A 22 ASP CB C 13 41.3 0.2 A 22 ASP N N 15 119.0 0.2 A 23 PHE H H 1 8.43 0.02 A 23 PHE HA H 1 4.25 0.02 A 23 PHE HBx H 1 2.77 0.02 A 23 PHE HBy H 1 2.98 0.02 A 23 PHE HDx H 1 6.61 0.02 A 23 PHE HDy H 1 6.61 0.02 A 23 PHE HEx H 1 7.11 0.02 A 23 PHE HEy H 1 7.11 0.02 A 23 PHE HZ H 1 7.23 0.02 A 23 PHE C C 13 177.5 0.2 A 23 PHE CA C 13 60.8 0.2 A 23 PHE CB C 13 37.6 0.2 A 23 PHE CDx C 13 132.9 0.2 A 23 PHE CDy C 13 132.9 0.2 A 23 PHE CEx C 13 130.5 0.2 A 23 PHE CEy C 13 130.5 0.2 A 23 PHE CZ C 13 129.4 0.2 A 23 PHE N N 15 120.0 0.2 A 24 VAL H H 1 8.25 0.02 A 24 VAL HA H 1 2.73 0.02 A 24 VAL HB H 1 1.66 0.02 A 24 VAL HG1% H 1 0.64 0.02 A 24 VAL HG2% H 1 0.05 0.02 A 24 VAL C C 13 178.2 0.2 A 24 VAL CA C 13 66.9 0.2 A 24 VAL CB C 13 32.1 0.2 A 24 VAL CG1 C 13 21.4 0.2 A 24 VAL CG2 C 13 22.0 0.2 A 24 VAL N N 15 120.7 0.2 A 25 ASN H H 1 8.26 0.02 A 25 ASN HA H 1 4.20 0.02 A 25 ASN HBx H 1 2.60 0.02 A 25 ASN HBy H 1 2.70 0.02 A 25 ASN HD21 H 1 7.54 0.02 A 25 ASN HD22 H 1 6.90 0.02 A 25 ASN C C 13 176.2 0.2 A 25 ASN CA C 13 56.0 0.2 A 25 ASN CB C 13 38.7 0.2 A 25 ASN CG C 13 175.9 0.2 A 25 ASN N N 15 116.7 0.2 A 25 ASN ND2 N 15 111.9 0.2 A 26 ASN H H 1 8.49 0.02 A 26 ASN HA H 1 4.60 0.02 A 26 ASN HBx H 1 2.00 0.02 A 26 ASN HBy H 1 2.35 0.02 A 26 ASN HD21 H 1 7.61 0.02 A 26 ASN HD22 H 1 6.92 0.02 A 26 ASN C C 13 174.5 0.2 A 26 ASN CA C 13 53.6 0.2 A 26 ASN CB C 13 38.8 0.2 A 26 ASN CG C 13 176.8 0.2 A 26 ASN N N 15 112.3 0.2 A 26 ASN ND2 N 15 113.7 0.2 A 27 TYR H H 1 7.00 0.02 A 27 TYR HA H 1 4.83 0.02 A 27 TYR HBx H 1 2.69 0.02 A 27 TYR HBy H 1 3.02 0.02 A 27 TYR HDx H 1 7.14 0.02 A 27 TYR HDy H 1 7.14 0.02 A 27 TYR HEx H 1 6.80 0.02 A 27 TYR HEy H 1 6.80 0.02 A 27 TYR C C 13 176.5 0.2 A 27 TYR CA C 13 58.2 0.2 A 27 TYR CB C 13 39.3 0.2 A 27 TYR CDx C 13 133.2 0.2 A 27 TYR CDy C 13 133.2 0.2 A 27 TYR CEx C 13 118.2 0.2 A 27 TYR CEy C 13 118.2 0.2 A 27 TYR N N 15 113.7 0.2 A 28 LEU H H 1 8.18 0.02 A 28 LEU HA H 1 3.83 0.02 A 28 LEU HBx H 1 0.47 0.02 A 28 LEU HBy H 1 1.36 0.02 A 28 LEU HD1% H 1 0.90 0.02 A 28 LEU HD2% H 1 0.73 0.02 A 28 LEU HG H 1 1.37 0.02 A 28 LEU C C 13 179.7 0.2 A 28 LEU CA C 13 58.3 0.2 A 28 LEU CB C 13 41.4 0.2 A 28 LEU CD1 C 13 22.9 0.2 A 28 LEU CD2 C 13 26.5 0.2 A 28 LEU CG C 13 26.9 0.2 A 28 LEU N N 15 122.7 0.2 A 29 SER H H 1 7.94 0.02 A 29 SER HA H 1 4.12 0.02 A 29 SER HBx H 1 3.82 0.02 A 29 SER HBy H 1 3.98 0.02 A 29 SER C C 13 174.0 0.2 A 29 SER CA C 13 60.3 0.2 A 29 SER CB C 13 63.1 0.2 A 29 SER N N 15 109.3 0.2 A 30 LYS H H 1 6.68 0.02 A 30 LYS HA H 1 4.46 0.02 A 30 LYS HBx H 1 1.57 0.02 A 30 LYS HBy H 1 2.05 0.02 A 30 LYS HDx H 1 1.55 0.02 A 30 LYS HDy H 1 1.55 0.02 A 30 LYS HEx H 1 2.98 0.02 A 30 LYS HEy H 1 2.98 0.02 A 30 LYS HGx H 1 1.15 0.02 A 30 LYS HGy H 1 1.35 0.02 A 30 LYS C C 13 177.2 0.2 A 30 LYS CA C 13 54.8 0.2 A 30 LYS CB C 13 33.0 0.2 A 30 LYS CD C 13 28.0 0.2 A 30 LYS CE C 13 42.4 0.2 A 30 LYS CG C 13 24.9 0.2 A 30 LYS N N 15 117.2 0.2 A 31 GLY H H 1 7.66 0.02 A 31 GLY HAx H 1 4.05 0.02 A 31 GLY HAy H 1 4.14 0.02 A 31 GLY C C 13 175.7 0.2 A 31 GLY CA C 13 47.4 0.2 A 31 GLY N N 15 107.1 0.2 A 32 VAL H H 1 6.91 0.02 A 32 VAL HA H 1 4.63 0.02 A 32 VAL HB H 1 2.77 0.02 A 32 VAL HG1% H 1 0.95 0.02 A 32 VAL HG2% H 1 1.15 0.02 A 32 VAL C C 13 174.8 0.2 A 32 VAL CA C 13 60.8 0.2 A 32 VAL CB C 13 32.1 0.2 A 32 VAL CG1 C 13 21.6 0.2 A 32 VAL CG2 C 13 19.1 0.2 A 32 VAL N N 15 107.3 0.2 A 33 VAL H H 1 8.18 0.02 A 33 VAL HA H 1 4.00 0.02 A 33 VAL HB H 1 2.33 0.02 A 33 VAL HG1% H 1 0.98 0.02 A 33 VAL HG2% H 1 0.89 0.02 A 33 VAL C C 13 174.5 0.2 A 33 VAL CA C 13 63.3 0.2 A 33 VAL CB C 13 32.1 0.2 A 33 VAL CG1 C 13 22.8 0.2 A 33 VAL CG2 C 13 23.1 0.2 A 33 VAL N N 15 122.0 0.2 A 34 ASP H H 1 9.15 0.02 A 34 ASP HA H 1 4.76 0.02 A 34 ASP HBx H 1 2.27 0.02 A 34 ASP HBy H 1 2.40 0.02 A 34 ASP C C 13 175.4 0.2 A 34 ASP CA C 13 55.3 0.2 A 34 ASP CB C 13 43.6 0.2 A 34 ASP N N 15 128.2 0.2 A 35 ARG H H 1 7.44 0.02 A 35 ARG HA H 1 4.62 0.02 A 35 ARG HBx H 1 1.73 0.02 A 35 ARG HBy H 1 1.81 0.02 A 35 ARG HDx H 1 3.01 0.02 A 35 ARG HDy H 1 3.08 0.02 A 35 ARG HE H 1 7.39 0.02 A 35 ARG HGx H 1 1.35 0.02 A 35 ARG HGy H 1 1.48 0.02 A 35 ARG C C 13 172.9 0.2 A 35 ARG CA C 13 55.3 0.2 A 35 ARG CB C 13 33.1 0.2 A 35 ARG CD C 13 43.9 0.2 A 35 ARG CG C 13 26.5 0.2 A 35 ARG N N 15 112.2 0.2 A 35 ARG NE N 15 84.5 0.2 A 36 LEU H H 1 8.41 0.02 A 36 LEU HA H 1 5.02 0.02 A 36 LEU HBx H 1 1.17 0.02 A 36 LEU HBy H 1 1.95 0.02 A 36 LEU HD1% H 1 1.19 0.02 A 36 LEU HD2% H 1 1.04 0.02 A 36 LEU HG H 1 1.70 0.02 A 36 LEU C C 13 174.8 0.2 A 36 LEU CA C 13 53.0 0.2 A 36 LEU CB C 13 43.9 0.2 A 36 LEU CD1 C 13 27.2 0.2 A 36 LEU CD2 C 13 25.6 0.2 A 36 LEU CG C 13 26.6 0.2 A 36 LEU N N 15 120.4 0.2 A 37 GLU H H 1 8.47 0.02 A 37 GLU HA H 1 4.93 0.02 A 37 GLU HBx H 1 1.45 0.02 A 37 GLU HBy H 1 1.80 0.02 A 37 GLU HGx H 1 1.81 0.02 A 37 GLU HGy H 1 2.02 0.02 A 37 GLU C C 13 174.4 0.2 A 37 GLU CA C 13 53.3 0.2 A 37 GLU CB C 13 31.7 0.2 A 37 GLU CG C 13 36.2 0.2 A 37 GLU N N 15 120.8 0.2 A 38 VAL H H 1 9.13 0.02 A 38 VAL HA H 1 4.01 0.02 A 38 VAL HB H 1 1.62 0.02 A 38 VAL HG1% H 1 0.54 0.02 A 38 VAL HG2% H 1 0.38 0.02 A 38 VAL C C 13 175.5 0.2 A 38 VAL CA C 13 61.4 0.2 A 38 VAL CB C 13 30.8 0.2 A 38 VAL CG1 C 13 21.1 0.2 A 38 VAL CG2 C 13 21.0 0.2 A 38 VAL N N 15 125.6 0.2 A 39 VAL H H 1 9.04 0.02 A 39 VAL HA H 1 4.18 0.02 A 39 VAL HB H 1 0.30 0.02 A 39 VAL HG1% H 1 0.46 0.02 A 39 VAL HG2% H 1 0.23 0.02 A 39 VAL C C 13 175.6 0.2 A 39 VAL CA C 13 61.7 0.2 A 39 VAL CB C 13 30.8 0.2 A 39 VAL CG1 C 13 21.9 0.2 A 39 VAL CG2 C 13 19.9 0.2 A 39 VAL N N 15 131.7 0.2 A 40 ASN H H 1 9.06 0.02 A 40 ASN HA H 1 4.46 0.02 A 40 ASN HBx H 1 2.83 0.02 A 40 ASN HBy H 1 3.14 0.02 A 40 ASN HD21 H 1 7.55 0.02 A 40 ASN HD22 H 1 7.41 0.02 A 40 ASN C C 13 173.3 0.2 A 40 ASN CA C 13 54.1 0.2 A 40 ASN CB C 13 37.0 0.2 A 40 ASN CG C 13 178.2 0.2 A 40 ASN N N 15 125.0 0.2 A 40 ASN ND2 N 15 112.7 0.2 A 41 LYS H H 1 9.25 0.02 A 41 LYS HA H 1 3.24 0.02 A 41 LYS HBx H 1 1.97 0.02 A 41 LYS HBy H 1 2.04 0.02 A 41 LYS HDx H 1 1.64 0.02 A 41 LYS HDy H 1 1.72 0.02 A 41 LYS HEx H 1 2.92 0.02 A 41 LYS HEy H 1 2.92 0.02 A 41 LYS HGx H 1 1.19 0.02 A 41 LYS HGy H 1 1.46 0.02 A 41 LYS C C 13 175.0 0.2 A 41 LYS CA C 13 58.3 0.2 A 41 LYS CB C 13 30.6 0.2 A 41 LYS CD C 13 29.5 0.2 A 41 LYS CE C 13 42.3 0.2 A 41 LYS CG C 13 25.9 0.2 A 41 LYS N N 15 109.9 0.2 A 42 ARG H H 1 8.11 0.02 A 42 ARG HA H 1 4.71 0.02 A 42 ARG HBx H 1 1.74 0.02 A 42 ARG HBy H 1 1.89 0.02 A 42 ARG HDx H 1 3.30 0.02 A 42 ARG HDy H 1 3.30 0.02 A 42 ARG HE H 1 6.84 0.02 A 42 ARG HGx H 1 1.73 0.02 A 42 ARG HGy H 1 1.80 0.02 A 42 ARG C C 13 174.9 0.2 A 42 ARG CA C 13 57.2 0.2 A 42 ARG CB C 13 34.2 0.2 A 42 ARG CD C 13 43.4 0.2 A 42 ARG CG C 13 27.5 0.2 A 42 ARG N N 15 115.8 0.2 A 43 PHE H H 1 7.61 0.02 A 43 PHE HA H 1 5.16 0.02 A 43 PHE HBx H 1 3.08 0.02 A 43 PHE HBy H 1 3.30 0.02 A 43 PHE HDx H 1 6.85 0.02 A 43 PHE HDy H 1 6.85 0.02 A 43 PHE HEx H 1 6.95 0.02 A 43 PHE HEy H 1 6.95 0.02 A 43 PHE HZ H 1 6.95 0.02 A 43 PHE C C 13 171.2 0.2 A 43 PHE CA C 13 55.7 0.2 A 43 PHE CB C 13 41.1 0.2 A 43 PHE CDx C 13 132.3 0.2 A 43 PHE CDy C 13 132.3 0.2 A 43 PHE CEx C 13 130.4 0.2 A 43 PHE CEy C 13 130.4 0.2 A 43 PHE CZ C 13 129.9 0.2 A 43 PHE N N 15 115.1 0.2 A 44 VAL H H 1 9.03 0.02 A 44 VAL HA H 1 4.59 0.02 A 44 VAL HB H 1 0.04 0.02 A 44 VAL HG1% H 1 0.24 0.02 A 44 VAL HG2% H 1 -0.15 0.02 A 44 VAL C C 13 174.6 0.2 A 44 VAL CA C 13 59.8 0.2 A 44 VAL CB C 13 32.9 0.2 A 44 VAL CG1 C 13 23.4 0.2 A 44 VAL CG2 C 13 22.1 0.2 A 44 VAL N N 15 121.2 0.2 A 45 ARG H H 1 9.32 0.02 A 45 ARG HA H 1 4.96 0.02 A 45 ARG HBx H 1 1.62 0.02 A 45 ARG HBy H 1 1.73 0.02 A 45 ARG HDx H 1 2.60 0.02 A 45 ARG HDy H 1 2.76 0.02 A 45 ARG HE H 1 6.75 0.02 A 45 ARG HGx H 1 1.40 0.02 A 45 ARG HGy H 1 1.47 0.02 A 45 ARG C C 13 175.4 0.2 A 45 ARG CA C 13 55.0 0.2 A 45 ARG CB C 13 33.2 0.2 A 45 ARG CD C 13 43.5 0.2 A 45 ARG CG C 13 28.1 0.2 A 45 ARG N N 15 125.0 0.2 A 45 ARG NE N 15 82.9 0.2 A 46 VAL H H 1 8.77 0.02 A 46 VAL HA H 1 4.11 0.02 A 46 VAL HB H 1 1.99 0.02 A 46 VAL HG1% H 1 0.52 0.02 A 46 VAL HG2% H 1 0.81 0.02 A 46 VAL C C 13 174.7 0.2 A 46 VAL CA C 13 62.2 0.2 A 46 VAL CB C 13 33.1 0.2 A 46 VAL CG1 C 13 22.5 0.2 A 46 VAL CG2 C 13 22.0 0.2 A 46 VAL N N 15 127.2 0.2 A 47 THR H H 1 8.11 0.02 A 47 THR HA H 1 4.70 0.02 A 47 THR HB H 1 4.14 0.02 A 47 THR HG2% H 1 1.22 0.02 A 47 THR C C 13 174.5 0.2 A 47 THR CA C 13 61.3 0.2 A 47 THR CB C 13 69.8 0.2 A 47 THR CG2 C 13 21.5 0.2 A 47 THR N N 15 120.8 0.2 A 48 PHE H H 1 9.00 0.02 A 48 PHE HA H 1 5.35 0.02 A 48 PHE HBx H 1 2.95 0.02 A 48 PHE HBy H 1 3.24 0.02 A 48 PHE HDx H 1 7.40 0.02 A 48 PHE HDy H 1 7.40 0.02 A 48 PHE HEx H 1 7.14 0.02 A 48 PHE HEy H 1 7.14 0.02 A 48 PHE HZ H 1 6.72 0.02 A 48 PHE C C 13 176.0 0.2 A 48 PHE CA C 13 57.3 0.2 A 48 PHE CB C 13 41.4 0.2 A 48 PHE CDx C 13 132.2 0.2 A 48 PHE CDy C 13 132.2 0.2 A 48 PHE CEx C 13 131.0 0.2 A 48 PHE CEy C 13 131.0 0.2 A 48 PHE CZ C 13 129.0 0.2 A 48 PHE N N 15 125.7 0.2 A 49 THR H H 1 8.62 0.02 A 49 THR HA H 1 4.33 0.02 A 49 THR HB H 1 3.99 0.02 A 49 THR HG2% H 1 1.31 0.02 A 49 THR CA C 13 61.2 0.2 A 49 THR CB C 13 69.4 0.2 A 49 THR CG2 C 13 21.8 0.2 A 49 THR N N 15 118.9 0.2 A 50 PRO HA H 1 4.36 0.02 A 50 PRO HBx H 1 1.96 0.02 A 50 PRO HBy H 1 2.36 0.02 A 50 PRO HDx H 1 3.73 0.02 A 50 PRO HDy H 1 4.02 0.02 A 50 PRO HGx H 1 2.05 0.02 A 50 PRO HGy H 1 2.17 0.02 A 50 PRO C C 13 177.7 0.2 A 50 PRO CA C 13 64.5 0.2 A 50 PRO CB C 13 31.8 0.2 A 50 PRO CD C 13 51.4 0.2 A 50 PRO CG C 13 27.9 0.2 A 51 GLY H H 1 8.88 0.02 A 51 GLY HAx H 1 3.88 0.02 A 51 GLY HAy H 1 4.24 0.02 A 51 GLY C C 13 175.2 0.2 A 51 GLY CA C 13 45.4 0.2 A 51 GLY N N 15 111.3 0.2 A 52 LYS H H 1 8.11 0.02 A 52 LYS HA H 1 4.57 0.02 A 52 LYS HBx H 1 1.95 0.02 A 52 LYS HBy H 1 2.08 0.02 A 52 LYS HDx H 1 1.61 0.02 A 52 LYS HDy H 1 1.71 0.02 A 52 LYS HEx H 1 2.98 0.02 A 52 LYS HEy H 1 2.98 0.02 A 52 LYS HGx H 1 1.30 0.02 A 52 LYS HGy H 1 1.39 0.02 A 52 LYS C C 13 175.8 0.2 A 52 LYS CA C 13 54.8 0.2 A 52 LYS CB C 13 32.6 0.2 A 52 LYS CD C 13 28.8 0.2 A 52 LYS CE C 13 42.3 0.2 A 52 LYS CG C 13 25.0 0.2 A 52 LYS N N 15 118.9 0.2 A 53 THR H H 1 7.70 0.02 A 53 THR HA H 1 4.18 0.02 A 53 THR HB H 1 4.11 0.02 A 53 THR HG2% H 1 1.20 0.02 A 53 THR CA C 13 60.4 0.2 A 53 THR CB C 13 69.1 0.2 A 53 THR CG2 C 13 21.5 0.2 A 53 THR N N 15 114.7 0.2 A 54 PRO HA H 1 4.41 0.02 A 54 PRO HBx H 1 1.94 0.02 A 54 PRO HBy H 1 2.28 0.02 A 54 PRO HDx H 1 3.09 0.02 A 54 PRO HDy H 1 3.23 0.02 A 54 PRO HGx H 1 1.71 0.02 A 54 PRO HGy H 1 1.80 0.02 A 54 PRO C C 13 177.5 0.2 A 54 PRO CA C 13 63.2 0.2 A 54 PRO CB C 13 32.3 0.2 A 54 PRO CD C 13 50.7 0.2 A 54 PRO CG C 13 27.7 0.2 A 55 VAL H H 1 8.19 0.02 A 55 VAL HA H 1 4.00 0.02 A 55 VAL HB H 1 2.09 0.02 A 55 VAL HG1% H 1 0.94 0.02 A 55 VAL HG2% H 1 0.94 0.02 A 55 VAL C C 13 176.0 0.2 A 55 VAL CA C 13 63.3 0.2 A 55 VAL CB C 13 32.4 0.2 A 55 VAL CG1 C 13 20.9 0.2 A 55 VAL CG2 C 13 20.7 0.2 A 55 VAL N N 15 119.3 0.2 A 56 ASP H H 1 8.17 0.02 A 56 ASP HA H 1 4.57 0.02 A 56 ASP HBx H 1 2.67 0.02 A 56 ASP HBy H 1 2.80 0.02 A 56 ASP C C 13 177.0 0.2 A 56 ASP CA C 13 54.3 0.2 A 56 ASP CB C 13 40.7 0.2 A 56 ASP N N 15 120.3 0.2 A 57 GLY H H 1 8.11 0.02 A 57 GLY HAx H 1 3.88 0.02 A 57 GLY HAy H 1 4.00 0.02 A 57 GLY C C 13 173.7 0.2 A 57 GLY CA C 13 45.8 0.2 A 57 GLY N N 15 108.3 0.2 A 58 GLN H H 1 8.07 0.02 A 58 GLN HA H 1 4.50 0.02 A 58 GLN HBx H 1 2.00 0.02 A 58 GLN HBy H 1 2.00 0.02 A 58 GLN HE21 H 1 7.47 0.02 A 58 GLN HE22 H 1 6.84 0.02 A 58 GLN HGx H 1 2.22 0.02 A 58 GLN HGy H 1 2.22 0.02 A 58 GLN C C 13 175.7 0.2 A 58 GLN CA C 13 56.2 0.2 A 58 GLN CB C 13 30.2 0.2 A 58 GLN CD C 13 180.2 0.2 A 58 GLN CG C 13 34.2 0.2 A 58 GLN N N 15 118.9 0.2 A 58 GLN NE2 N 15 111.8 0.2 A 59 TYR H H 1 8.11 0.02 A 59 TYR HA H 1 5.13 0.02 A 59 TYR HBx H 1 3.16 0.02 A 59 TYR HBy H 1 3.16 0.02 A 59 TYR HDx H 1 7.14 0.02 A 59 TYR HDy H 1 7.14 0.02 A 59 TYR HEx H 1 6.68 0.02 A 59 TYR HEy H 1 6.68 0.02 A 59 TYR C C 13 177.5 0.2 A 59 TYR CA C 13 56.7 0.2 A 59 TYR CB C 13 39.3 0.2 A 59 TYR CDx C 13 133.5 0.2 A 59 TYR CDy C 13 133.5 0.2 A 59 TYR CEx C 13 118.2 0.2 A 59 TYR CEy C 13 118.2 0.2 A 59 TYR N N 15 118.8 0.2 A 60 VAL H H 1 8.25 0.02 A 60 VAL HA H 1 5.50 0.02 A 60 VAL HB H 1 2.26 0.02 A 60 VAL HG1% H 1 1.06 0.02 A 60 VAL HG2% H 1 0.82 0.02 A 60 VAL C C 13 174.7 0.2 A 60 VAL CA C 13 60.0 0.2 A 60 VAL CB C 13 35.0 0.2 A 60 VAL CG1 C 13 22.2 0.2 A 60 VAL CG2 C 13 19.7 0.2 A 60 VAL N N 15 115.6 0.2 A 61 TRP H H 1 8.50 0.02 A 61 TRP HA H 1 5.92 0.02 A 61 TRP HBx H 1 3.06 0.02 A 61 TRP HBy H 1 3.45 0.02 A 61 TRP HD1 H 1 6.69 0.02 A 61 TRP HE1 H 1 9.65 0.02 A 61 TRP HE3 H 1 7.14 0.02 A 61 TRP HH2 H 1 6.99 0.02 A 61 TRP HZ2 H 1 7.32 0.02 A 61 TRP HZ3 H 1 6.92 0.02 A 61 TRP C C 13 172.7 0.2 A 61 TRP CA C 13 55.0 0.2 A 61 TRP CB C 13 32.9 0.2 A 61 TRP CD1 C 13 126.7 0.2 A 61 TRP CE3 C 13 119.9 0.2 A 61 TRP CH2 C 13 124.5 0.2 A 61 TRP CZ2 C 13 114.7 0.2 A 61 TRP CZ3 C 13 121.4 0.2 A 61 TRP N N 15 120.8 0.2 A 61 TRP NE1 N 15 128.8 0.2 A 62 PHE H H 1 8.70 0.02 A 62 PHE HA H 1 5.04 0.02 A 62 PHE HBx H 1 3.07 0.02 A 62 PHE HBy H 1 3.07 0.02 A 62 PHE HDx H 1 6.85 0.02 A 62 PHE HDy H 1 6.85 0.02 A 62 PHE HEx H 1 6.47 0.02 A 62 PHE HEy H 1 6.47 0.02 A 62 PHE HZ H 1 6.60 0.02 A 62 PHE C C 13 174.8 0.2 A 62 PHE CA C 13 55.4 0.2 A 62 PHE CB C 13 41.9 0.2 A 62 PHE CDx C 13 132.5 0.2 A 62 PHE CDy C 13 132.5 0.2 A 62 PHE CEx C 13 130.1 0.2 A 62 PHE CEy C 13 130.1 0.2 A 62 PHE CZ C 13 127.8 0.2 A 62 PHE N N 15 112.1 0.2 A 63 ASN H H 1 9.34 0.02 A 63 ASN HA H 1 5.16 0.02 A 63 ASN HBx H 1 2.91 0.02 A 63 ASN HBy H 1 2.91 0.02 A 63 ASN HD21 H 1 7.59 0.02 A 63 ASN HD22 H 1 7.07 0.02 A 63 ASN C C 13 175.8 0.2 A 63 ASN CA C 13 54.1 0.2 A 63 ASN CB C 13 40.6 0.2 A 63 ASN CG C 13 175.5 0.2 A 63 ASN N N 15 120.8 0.2 A 63 ASN ND2 N 15 114.0 0.2 A 64 ILE H H 1 7.82 0.02 A 64 ILE HA H 1 4.65 0.02 A 64 ILE HB H 1 1.63 0.02 A 64 ILE HD1% H 1 0.24 0.02 A 64 ILE HG1x H 1 0.42 0.02 A 64 ILE HG1y H 1 1.20 0.02 A 64 ILE HG2% H 1 0.75 0.02 A 64 ILE C C 13 175.3 0.2 A 64 ILE CA C 13 60.1 0.2 A 64 ILE CB C 13 42.1 0.2 A 64 ILE CD1 C 13 14.1 0.2 A 64 ILE CG1 C 13 25.6 0.2 A 64 ILE CG2 C 13 19.8 0.2 A 64 ILE N N 15 113.4 0.2 A 65 GLY H H 1 8.57 0.02 A 65 GLY HAx H 1 3.83 0.02 A 65 GLY HAy H 1 4.10 0.02 A 65 GLY C C 13 174.3 0.2 A 65 GLY CA C 13 45.8 0.2 A 65 GLY N N 15 110.7 0.2 A 66 SER H H 1 7.68 0.02 A 66 SER HA H 1 4.73 0.02 A 66 SER HBx H 1 3.95 0.02 A 66 SER HBy H 1 4.15 0.02 A 66 SER C C 13 175.5 0.2 A 66 SER CA C 13 56.8 0.2 A 66 SER CB C 13 64.5 0.2 A 66 SER N N 15 113.8 0.2 A 67 VAL H H 1 9.15 0.02 A 67 VAL HA H 1 3.82 0.02 A 67 VAL HB H 1 2.20 0.02 A 67 VAL HG1% H 1 1.12 0.02 A 67 VAL HG2% H 1 1.08 0.02 A 67 VAL C C 13 176.7 0.2 A 67 VAL CA C 13 66.6 0.2 A 67 VAL CB C 13 31.7 0.2 A 67 VAL CG1 C 13 21.9 0.2 A 67 VAL CG2 C 13 22.6 0.2 A 67 VAL N N 15 127.0 0.2 A 68 ASP H H 1 8.32 0.02 A 68 ASP HA H 1 4.45 0.02 A 68 ASP HBx H 1 2.64 0.02 A 68 ASP HBy H 1 2.64 0.02 A 68 ASP C C 13 178.7 0.2 A 68 ASP CA C 13 57.3 0.2 A 68 ASP CB C 13 40.7 0.2 A 68 ASP N N 15 118.8 0.2 A 69 THR H H 1 7.71 0.02 A 69 THR HA H 1 3.91 0.02 A 69 THR HB H 1 4.12 0.02 A 69 THR HG2% H 1 1.20 0.02 A 69 THR C C 13 175.5 0.2 A 69 THR CA C 13 65.6 0.2 A 69 THR CB C 13 68.9 0.2 A 69 THR CG2 C 13 22.3 0.2 A 69 THR N N 15 114.5 0.2 A 70 PHE H H 1 7.68 0.02 A 70 PHE HA H 1 4.32 0.02 A 70 PHE HBx H 1 3.17 0.02 A 70 PHE HBy H 1 3.35 0.02 A 70 PHE HDx H 1 7.31 0.02 A 70 PHE HDy H 1 7.31 0.02 A 70 PHE HEx H 1 7.31 0.02 A 70 PHE HEy H 1 7.31 0.02 A 70 PHE HZ H 1 7.09 0.02 A 70 PHE C C 13 176.0 0.2 A 70 PHE CA C 13 60.5 0.2 A 70 PHE CB C 13 39.1 0.2 A 70 PHE CDx C 13 132.7 0.2 A 70 PHE CDy C 13 132.7 0.2 A 70 PHE CEx C 13 130.2 0.2 A 70 PHE CEy C 13 130.2 0.2 A 70 PHE CZ C 13 129.2 0.2 A 70 PHE N N 15 122.8 0.2 A 71 GLU H H 1 8.66 0.02 A 71 GLU HA H 1 3.37 0.02 A 71 GLU HBx H 1 2.01 0.02 A 71 GLU HBy H 1 2.12 0.02 A 71 GLU HGx H 1 2.21 0.02 A 71 GLU HGy H 1 2.72 0.02 A 71 GLU C C 13 179.9 0.2 A 71 GLU CA C 13 60.2 0.2 A 71 GLU CB C 13 29.2 0.2 A 71 GLU CG C 13 37.3 0.2 A 71 GLU N N 15 118.4 0.2 A 72 ARG H H 1 7.96 0.02 A 72 ARG HA H 1 4.16 0.02 A 72 ARG HBx H 1 1.92 0.02 A 72 ARG HBy H 1 1.92 0.02 A 72 ARG HDx H 1 3.25 0.02 A 72 ARG HDy H 1 3.25 0.02 A 72 ARG HGx H 1 1.72 0.02 A 72 ARG HGy H 1 1.78 0.02 A 72 ARG C C 13 179.2 0.2 A 72 ARG CA C 13 59.1 0.2 A 72 ARG CB C 13 30.1 0.2 A 72 ARG CD C 13 43.5 0.2 A 72 ARG CG C 13 27.3 0.2 A 72 ARG N N 15 119.5 0.2 A 73 ASN H H 1 8.61 0.02 A 73 ASN HA H 1 4.51 0.02 A 73 ASN HBx H 1 2.63 0.02 A 73 ASN HBy H 1 2.78 0.02 A 73 ASN HD21 H 1 7.17 0.02 A 73 ASN HD22 H 1 6.76 0.02 A 73 ASN C C 13 178.1 0.2 A 73 ASN CA C 13 55.5 0.2 A 73 ASN CB C 13 37.4 0.2 A 73 ASN CG C 13 175.8 0.2 A 73 ASN N N 15 119.9 0.2 A 73 ASN ND2 N 15 110.2 0.2 A 74 LEU H H 1 8.72 0.02 A 74 LEU HA H 1 4.25 0.02 A 74 LEU HBx H 1 1.28 0.02 A 74 LEU HBy H 1 1.69 0.02 A 74 LEU HD1% H 1 1.02 0.02 A 74 LEU HD2% H 1 0.84 0.02 A 74 LEU HG H 1 1.61 0.02 A 74 LEU C C 13 179.1 0.2 A 74 LEU CA C 13 58.3 0.2 A 74 LEU CB C 13 41.8 0.2 A 74 LEU CD1 C 13 23.7 0.2 A 74 LEU CD2 C 13 26.4 0.2 A 74 LEU CG C 13 26.9 0.2 A 74 LEU N N 15 121.9 0.2 A 75 GLU H H 1 8.07 0.02 A 75 GLU HA H 1 4.11 0.02 A 75 GLU HBx H 1 2.20 0.02 A 75 GLU HBy H 1 2.20 0.02 A 75 GLU HGx H 1 2.34 0.02 A 75 GLU HGy H 1 2.34 0.02 A 75 GLU C C 13 178.9 0.2 A 75 GLU CA C 13 59.9 0.2 A 75 GLU CB C 13 29.3 0.2 A 75 GLU CG C 13 35.7 0.2 A 75 GLU N N 15 120.7 0.2 A 76 THR H H 1 8.40 0.02 A 76 THR HA H 1 4.00 0.02 A 76 THR HB H 1 4.33 0.02 A 76 THR HG2% H 1 1.34 0.02 A 76 THR C C 13 176.6 0.2 A 76 THR CA C 13 66.5 0.2 A 76 THR CB C 13 69.0 0.2 A 76 THR CG2 C 13 21.8 0.2 A 76 THR N N 15 115.7 0.2 A 77 LEU H H 1 8.33 0.02 A 77 LEU HA H 1 4.26 0.02 A 77 LEU HBx H 1 1.67 0.02 A 77 LEU HBy H 1 2.06 0.02 A 77 LEU HD1% H 1 1.00 0.02 A 77 LEU HD2% H 1 0.98 0.02 A 77 LEU HG H 1 1.79 0.02 A 77 LEU C C 13 179.2 0.2 A 77 LEU CA C 13 57.3 0.2 A 77 LEU CB C 13 41.9 0.2 A 77 LEU CD1 C 13 25.3 0.2 A 77 LEU CD2 C 13 25.2 0.2 A 77 LEU CG C 13 27.7 0.2 A 77 LEU N N 15 122.2 0.2 A 78 GLN H H 1 8.20 0.02 A 78 GLN HA H 1 3.88 0.02 A 78 GLN HBx H 1 2.21 0.02 A 78 GLN HBy H 1 2.29 0.02 A 78 GLN HE2x H 1 6.38 0.02 A 78 GLN HE2y H 1 7.63 0.02 A 78 GLN HGx H 1 1.96 0.02 A 78 GLN HGy H 1 2.90 0.02 A 78 GLN C C 13 177.6 0.2 A 78 GLN CA C 13 61.3 0.2 A 78 GLN CB C 13 29.4 0.2 A 78 GLN CD C 13 177.9 0.2 A 78 GLN CG C 13 38.1 0.2 A 78 GLN N N 15 115.7 0.2 A 78 GLN NE2 N 15 107.9 0.2 A 79 GLN H H 1 7.98 0.02 A 79 GLN HA H 1 4.14 0.02 A 79 GLN HBx H 1 2.27 0.02 A 79 GLN HBy H 1 2.33 0.02 A 79 GLN HE21 H 1 7.70 0.02 A 79 GLN HE22 H 1 6.86 0.02 A 79 GLN HGx H 1 2.44 0.02 A 79 GLN HGy H 1 2.59 0.02 A 79 GLN C C 13 180.0 0.2 A 79 GLN CA C 13 59.2 0.2 A 79 GLN CB C 13 28.2 0.2 A 79 GLN CD C 13 180.2 0.2 A 79 GLN CG C 13 33.8 0.2 A 79 GLN N N 15 118.4 0.2 A 79 GLN NE2 N 15 111.9 0.2 A 80 GLU H H 1 8.40 0.02 A 80 GLU HA H 1 4.05 0.02 A 80 GLU HBx H 1 2.13 0.02 A 80 GLU HBy H 1 2.29 0.02 A 80 GLU HGx H 1 2.30 0.02 A 80 GLU HGy H 1 2.52 0.02 A 80 GLU C C 13 178.8 0.2 A 80 GLU CA C 13 59.3 0.2 A 80 GLU CB C 13 29.6 0.2 A 80 GLU CG C 13 36.4 0.2 A 80 GLU N N 15 121.7 0.2 A 81 LEU H H 1 8.12 0.02 A 81 LEU HA H 1 4.30 0.02 A 81 LEU HBx H 1 1.64 0.02 A 81 LEU HBy H 1 1.79 0.02 A 81 LEU HD1% H 1 0.69 0.02 A 81 LEU HD2% H 1 0.86 0.02 A 81 LEU HG H 1 1.87 0.02 A 81 LEU C C 13 177.4 0.2 A 81 LEU CA C 13 55.1 0.2 A 81 LEU CB C 13 42.8 0.2 A 81 LEU CD1 C 13 25.7 0.2 A 81 LEU CD2 C 13 22.2 0.2 A 81 LEU CG C 13 26.8 0.2 A 81 LEU N N 15 117.2 0.2 A 82 GLY H H 1 7.84 0.02 A 82 GLY HAx H 1 3.88 0.02 A 82 GLY HAy H 1 4.00 0.02 A 82 GLY C C 13 174.6 0.2 A 82 GLY CA C 13 46.3 0.2 A 82 GLY N N 15 108.9 0.2 A 83 ILE H H 1 8.25 0.02 A 83 ILE HA H 1 4.00 0.02 A 83 ILE HB H 1 1.70 0.02 A 83 ILE HD1% H 1 0.87 0.02 A 83 ILE HG1x H 1 1.05 0.02 A 83 ILE HG1y H 1 1.51 0.02 A 83 ILE HG2% H 1 0.81 0.02 A 83 ILE C C 13 175.3 0.2 A 83 ILE CA C 13 61.5 0.2 A 83 ILE CB C 13 37.8 0.2 A 83 ILE CD1 C 13 13.3 0.2 A 83 ILE CG1 C 13 27.1 0.2 A 83 ILE CG2 C 13 18.2 0.2 A 83 ILE N N 15 121.9 0.2 A 84 GLU H H 1 8.76 0.02 A 84 GLU HA H 1 4.50 0.02 A 84 GLU HBx H 1 1.91 0.02 A 84 GLU HBy H 1 2.12 0.02 A 84 GLU HGx H 1 2.22 0.02 A 84 GLU HGy H 1 2.22 0.02 A 84 GLU C C 13 177.4 0.2 A 84 GLU CA C 13 55.3 0.2 A 84 GLU CB C 13 32.6 0.2 A 84 GLU CG C 13 35.9 0.2 A 84 GLU N N 15 126.6 0.2 A 85 GLY H H 1 8.87 0.02 A 85 GLY HAx H 1 3.72 0.02 A 85 GLY HAy H 1 3.97 0.02 A 85 GLY C C 13 176.6 0.2 A 85 GLY CA C 13 47.4 0.2 A 85 GLY N N 15 109.4 0.2 A 86 GLU H H 1 9.24 0.02 A 86 GLU HA H 1 4.25 0.02 A 86 GLU HBx H 1 2.02 0.02 A 86 GLU HBy H 1 2.14 0.02 A 86 GLU HGx H 1 2.32 0.02 A 86 GLU HGy H 1 2.32 0.02 A 86 GLU C C 13 176.2 0.2 A 86 GLU CA C 13 57.8 0.2 A 86 GLU CB C 13 29.1 0.2 A 86 GLU CG C 13 36.0 0.2 A 86 GLU N N 15 123.9 0.2 A 87 ASN H H 1 8.05 0.02 A 87 ASN HA H 1 4.83 0.02 A 87 ASN HBx H 1 2.79 0.02 A 87 ASN HBy H 1 3.00 0.02 A 87 ASN HD21 H 1 7.78 0.02 A 87 ASN HD22 H 1 7.09 0.02 A 87 ASN C C 13 174.6 0.2 A 87 ASN CA C 13 53.2 0.2 A 87 ASN CB C 13 39.4 0.2 A 87 ASN CG C 13 177.1 0.2 A 87 ASN N N 15 115.9 0.2 A 87 ASN ND2 N 15 113.8 0.2 A 88 ARG H H 1 7.23 0.02 A 88 ARG HA H 1 4.05 0.02 A 88 ARG HBx H 1 1.76 0.02 A 88 ARG HBy H 1 1.89 0.02 A 88 ARG HDx H 1 3.21 0.02 A 88 ARG HDy H 1 3.21 0.02 A 88 ARG HE H 1 7.27 0.02 A 88 ARG HGx H 1 1.44 0.02 A 88 ARG HGy H 1 1.64 0.02 A 88 ARG C C 13 176.6 0.2 A 88 ARG CA C 13 56.6 0.2 A 88 ARG CB C 13 30.6 0.2 A 88 ARG CD C 13 43.5 0.2 A 88 ARG CG C 13 28.4 0.2 A 88 ARG N N 15 119.3 0.2 A 88 ARG NE N 15 83.8 0.2 A 89 VAL H H 1 8.78 0.02 A 89 VAL HA H 1 4.29 0.02 A 89 VAL HB H 1 1.99 0.02 A 89 VAL HG1% H 1 0.94 0.02 A 89 VAL HG2% H 1 1.02 0.02 A 89 VAL CA C 13 60.0 0.2 A 89 VAL CB C 13 33.1 0.2 A 89 VAL CG1 C 13 22.0 0.2 A 89 VAL CG2 C 13 21.5 0.2 A 89 VAL N N 15 124.7 0.2 A 90 PRO HA H 1 4.51 0.02 A 90 PRO HBx H 1 1.84 0.02 A 90 PRO HBy H 1 2.31 0.02 A 90 PRO HDx H 1 4.04 0.02 A 90 PRO HDy H 1 4.12 0.02 A 90 PRO HGx H 1 2.02 0.02 A 90 PRO HGy H 1 2.19 0.02 A 90 PRO C C 13 175.1 0.2 A 90 PRO CA C 13 63.1 0.2 A 90 PRO CB C 13 32.6 0.2 A 90 PRO CD C 13 51.5 0.2 A 90 PRO CG C 13 27.9 0.2 A 91 VAL H H 1 8.03 0.02 A 91 VAL HA H 1 4.81 0.02 A 91 VAL HB H 1 1.94 0.02 A 91 VAL HG1% H 1 0.70 0.02 A 91 VAL HG2% H 1 0.97 0.02 A 91 VAL C C 13 176.1 0.2 A 91 VAL CA C 13 61.3 0.2 A 91 VAL CB C 13 34.2 0.2 A 91 VAL CG1 C 13 22.4 0.2 A 91 VAL CG2 C 13 22.2 0.2 A 91 VAL N N 15 121.6 0.2 A 92 VAL H H 1 8.64 0.02 A 92 VAL HA H 1 4.54 0.02 A 92 VAL HB H 1 1.97 0.02 A 92 VAL HG1% H 1 0.92 0.02 A 92 VAL HG2% H 1 0.86 0.02 A 92 VAL C C 13 173.6 0.2 A 92 VAL CA C 13 59.7 0.2 A 92 VAL CB C 13 34.9 0.2 A 92 VAL CG1 C 13 21.2 0.2 A 92 VAL CG2 C 13 20.2 0.2 A 92 VAL N N 15 124.8 0.2 A 93 TYR H H 1 8.80 0.02 A 93 TYR HA H 1 4.93 0.02 A 93 TYR HBx H 1 2.88 0.02 A 93 TYR HBy H 1 2.88 0.02 A 93 TYR HDx H 1 7.15 0.02 A 93 TYR HDy H 1 7.15 0.02 A 93 TYR HEx H 1 6.72 0.02 A 93 TYR HEy H 1 6.72 0.02 A 93 TYR C C 13 175.7 0.2 A 93 TYR CA C 13 57.4 0.2 A 93 TYR CB C 13 38.5 0.2 A 93 TYR CDx C 13 132.7 0.2 A 93 TYR CDy C 13 132.7 0.2 A 93 TYR CEx C 13 118.6 0.2 A 93 TYR CEy C 13 118.6 0.2 A 93 TYR N N 15 124.7 0.2 A 94 ILE H H 1 9.00 0.02 A 94 ILE HA H 1 4.51 0.02 A 94 ILE HB H 1 1.70 0.02 A 94 ILE HD1% H 1 0.65 0.02 A 94 ILE HG1x H 1 0.90 0.02 A 94 ILE HG1y H 1 1.18 0.02 A 94 ILE HG2% H 1 0.78 0.02 A 94 ILE C C 13 173.7 0.2 A 94 ILE CA C 13 59.2 0.2 A 94 ILE CB C 13 41.5 0.2 A 94 ILE CD1 C 13 12.8 0.2 A 94 ILE CG1 C 13 26.9 0.2 A 94 ILE CG2 C 13 17.8 0.2 A 94 ILE N N 15 123.1 0.2 A 95 ALA H H 1 8.45 0.02 A 95 ALA HA H 1 4.99 0.02 A 95 ALA HB% H 1 1.35 0.02 A 95 ALA C C 13 177.0 0.2 A 95 ALA CA C 13 50.5 0.2 A 95 ALA CB C 13 20.4 0.2 A 95 ALA N N 15 128.0 0.2 A 96 GLU H H 1 8.85 0.02 A 96 GLU HA H 1 4.52 0.02 A 96 GLU HBx H 1 1.72 0.02 A 96 GLU HBy H 1 1.91 0.02 A 96 GLU HGx H 1 2.11 0.02 A 96 GLU HGy H 1 2.11 0.02 A 96 GLU C C 13 176.0 0.2 A 96 GLU CA C 13 55.5 0.2 A 96 GLU CB C 13 32.8 0.2 A 96 GLU CG C 13 36.5 0.2 A 96 GLU N N 15 122.2 0.2 A 97 SER H H 1 8.65 0.02 A 97 SER HA H 1 4.43 0.02 A 97 SER HBx H 1 3.85 0.02 A 97 SER HBy H 1 3.85 0.02 A 97 SER C C 13 174.2 0.2 A 97 SER CA C 13 58.5 0.2 A 97 SER CB C 13 63.8 0.2 A 97 SER N N 15 118.6 0.2 A 98 ASP H H 1 8.50 0.02 A 98 ASP HA H 1 4.67 0.02 A 98 ASP HBx H 1 2.60 0.02 A 98 ASP HBy H 1 2.69 0.02 A 98 ASP C C 13 175.5 0.2 A 98 ASP CA C 13 54.4 0.2 A 98 ASP CB C 13 41.4 0.2 A 98 ASP N N 15 123.2 0.2 A 99 GLY H H 1 7.90 0.02 A 99 GLY HAx H 1 3.71 0.02 A 99 GLY HAy H 1 3.71 0.02 A 99 GLY CA C 13 46.3 0.2 A 99 GLY N N 15 114.8 0.2 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 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 11 MET H A 11 MET HGx 1.0 1.8 5.0 2 1 A 11 MET H A 11 MET HGy 1.0 1.8 5.0 3 2 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.0 4 3 A 12 LYS H A 12 LYS HGx 1.0 1.8 5.0 5 4 A 13 ARG HDy A 13 ARG HBx 1.0 1.8 5.0 6 4 A 13 ARG HBy A 13 ARG HDy 1.0 1.8 5.0 7 5 A 13 ARG HDx A 13 ARG HBx 1.0 1.8 5.0 8 5 A 13 ARG HBy A 13 ARG HDx 1.0 1.8 5.0 9 6 A 13 ARG H A 13 ARG HGx 1.0 1.8 5.0 10 6 A 13 ARG H A 13 ARG HGy 1.0 1.8 5.0 11 7 A 14 SER HA A 15 GLY H 1.0 1.8 3.5 12 8 A 59 TYR HD% A 15 GLY HAx 1.0 1.8 6.0 13 8 A 15 GLY HAy A 59 TYR HD% 1.0 1.8 6.0 14 9 A 61 TRP HD1 A 15 GLY HAx 1.0 1.8 5.0 15 9 A 15 GLY HAy A 61 TRP HD1 1.0 1.8 5.0 16 10 A 61 TRP HE1 A 15 GLY HAx 1.0 1.8 6.0 17 10 A 15 GLY HAy A 61 TRP HE1 1.0 1.8 6.0 18 11 A 15 GLY H A 16 ARG H 1.0 1.8 5.0 19 12 A 15 GLY H A 61 TRP HD1 1.0 1.8 6.0 20 13 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.0 21 13 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.0 22 14 A 16 ARG HA A 17 GLU H 1.0 1.8 3.5 23 15 A 61 TRP HE1 A 16 ARG HA 1.0 1.8 6.0 24 16 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 3.5 25 16 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 3.5 26 16 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 3.5 27 16 A 16 ARG HDy A 16 ARG HBy 1.0 1.8 3.5 28 17 A 60 VAL HA A 16 ARG HBx 1.0 1.8 5.0 29 17 A 16 ARG HBy A 60 VAL HA 1.0 1.8 5.0 30 18 A 60 VAL HG1% A 16 ARG HBx 1.0 1.8 5.0 31 18 A 16 ARG HBy A 60 VAL HG1% 1.0 1.8 5.0 32 19 A 17 GLU H A 16 ARG HBy 1.0 1.8 5.0 33 20 A 17 GLU H A 16 ARG HBx 1.0 1.8 5.0 34 21 A 18 ILE HG2% A 16 ARG HDx 1.0 1.8 5.0 35 21 A 16 ARG HDy A 18 ILE HG2% 1.0 1.8 5.0 36 22 A 17 GLU H A 16 ARG HGx 1.0 1.8 5.0 37 22 A 17 GLU H A 16 ARG HGy 1.0 1.8 5.0 38 23 A 18 ILE HG2% A 16 ARG HGx 1.0 1.8 5.0 39 23 A 18 ILE HG2% A 16 ARG HGy 1.0 1.8 5.0 40 24 A 60 VAL HG1% A 16 ARG HGx 1.0 1.8 5.0 41 24 A 60 VAL HG1% A 16 ARG HGy 1.0 1.8 5.0 42 25 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.0 43 25 A 16 ARG H A 16 ARG HGy 1.0 1.8 5.0 44 26 A 16 ARG H A 59 TYR H 1.0 1.8 6.0 45 27 A 16 ARG H A 60 VAL HA 1.0 1.8 5.0 46 28 A 16 ARG H A 60 VAL HG1% 1.0 1.8 5.0 47 29 A 61 TRP HD1 A 16 ARG H 1.0 1.8 5.0 48 30 A 61 TRP HE1 A 16 ARG H 1.0 1.8 6.0 49 31 A 18 ILE HG2% A 17 GLU HA 1.0 1.8 5.0 50 32 A 17 GLU HA A 18 ILE H 1.0 1.8 3.5 51 33 A 61 TRP HE1 A 17 GLU HA 1.0 1.8 6.0 52 34 A 17 GLU HA A 61 TRP H 1.0 1.8 5.0 53 35 A 61 TRP HE1 A 17 GLU HBy 1.0 1.8 5.0 54 35 A 61 TRP HE1 A 17 GLU HBx 1.0 1.8 5.0 55 36 A 61 TRP HZ2 A 17 GLU HBy 1.0 1.8 5.0 56 36 A 17 GLU HBx A 61 TRP HZ2 1.0 1.8 5.0 57 37 A 18 ILE H A 17 GLU HBy 1.0 1.8 5.0 58 38 A 18 ILE H A 17 GLU HBx 1.0 1.8 5.0 59 39 A 18 ILE H A 17 GLU HGx 1.0 1.8 5.0 60 39 A 18 ILE H A 17 GLU HGy 1.0 1.8 5.0 61 40 A 17 GLU HGy A 62 PHE HA 1.0 1.8 5.0 62 41 A 62 PHE HA A 17 GLU HGx 1.0 1.8 5.0 63 42 A 17 GLU H A 17 GLU HBy 1.0 1.8 3.5 64 43 A 17 GLU H A 17 GLU HBx 1.0 1.8 3.5 65 44 A 17 GLU H A 17 GLU HGx 1.0 1.8 5.0 66 44 A 17 GLU H A 17 GLU HGy 1.0 1.8 5.0 67 45 A 17 GLU H A 18 ILE H 1.0 1.8 5.0 68 46 A 61 TRP HE1 A 17 GLU H 1.0 1.8 5.0 69 47 A 18 ILE HA A 18 ILE HD1% 1.0 1.8 5.0 70 48 A 18 ILE HG2% A 18 ILE HA 1.0 1.8 3.5 71 49 A 18 ILE HA A 19 THR HG2% 1.0 1.8 5.0 72 50 A 18 ILE HA A 19 THR H 1.0 1.8 3.5 73 51 A 19 THR H A 18 ILE HB 1.0 1.8 3.5 74 52 A 18 ILE HB A 22 ASP HBy 1.0 1.8 5.0 75 52 A 18 ILE HB A 22 ASP HBx 1.0 1.8 5.0 76 53 A 18 ILE HB A 22 ASP H 1.0 1.8 6.0 77 54 A 18 ILE HD1% A 19 THR H 1.0 1.8 5.0 78 55 A 18 ILE HD1% A 22 ASP HBy 1.0 1.8 5.0 79 56 A 18 ILE HD1% A 22 ASP HBx 1.0 1.8 5.0 80 57 A 18 ILE HD1% A 22 ASP H 1.0 1.8 6.0 81 58 A 18 ILE HD1% A 23 PHE HA 1.0 1.8 5.0 82 59 A 18 ILE HD1% A 23 PHE HBy 1.0 1.8 5.0 83 60 A 18 ILE HD1% A 23 PHE HBx 1.0 1.8 5.0 84 61 A 18 ILE HD1% A 23 PHE HD% 1.0 1.8 5.0 85 62 A 18 ILE HD1% A 23 PHE H 1.0 1.8 5.0 86 63 A 18 ILE HD1% A 24 VAL H 1.0 1.8 6.0 87 64 A 18 ILE HD1% A 27 TYR HD% 1.0 1.8 5.0 88 65 A 18 ILE HD1% A 27 TYR HE% 1.0 1.8 3.5 89 66 A 18 ILE HD1% A 60 VAL HB 1.0 1.8 5.0 90 67 A 60 VAL HG1% A 18 ILE HD1% 1.0 1.8 5.0 91 68 A 18 ILE HD1% A 62 PHE HBx 1.0 1.8 6.0 92 68 A 18 ILE HD1% A 62 PHE HBy 1.0 1.8 6.0 93 69 A 18 ILE HD1% A 62 PHE HD% 1.0 1.8 5.0 94 70 A 18 ILE HD1% A 62 PHE HE% 1.0 1.8 6.0 95 71 A 18 ILE HD1% A 62 PHE HZ 1.0 1.8 6.0 96 72 A 19 THR H A 18 ILE HG1x 1.0 1.8 5.0 97 72 A 19 THR H A 18 ILE HG1y 1.0 1.8 5.0 98 73 A 18 ILE HG1x A 23 PHE HBy 1.0 1.8 6.0 99 73 A 18 ILE HG1y A 23 PHE HBy 1.0 1.8 6.0 100 73 A 23 PHE HBx A 18 ILE HG1x 1.0 1.8 6.0 101 73 A 18 ILE HG1y A 23 PHE HBx 1.0 1.8 6.0 102 74 A 60 VAL HB A 18 ILE HG1x 1.0 1.8 5.0 103 74 A 60 VAL HB A 18 ILE HG1y 1.0 1.8 5.0 104 75 A 62 PHE HE% A 18 ILE HG1x 1.0 1.8 5.0 105 75 A 62 PHE HE% A 18 ILE HG1y 1.0 1.8 5.0 106 76 A 61 TRP H A 18 ILE HG1y 1.0 1.8 5.0 107 77 A 62 PHE HBy A 18 ILE HG1y 1.0 1.8 6.0 108 77 A 18 ILE HG1y A 62 PHE HBx 1.0 1.8 6.0 109 78 A 62 PHE HD% A 18 ILE HG1y 1.0 1.8 5.0 110 79 A 61 TRP H A 18 ILE HG1x 1.0 1.8 5.0 111 80 A 62 PHE HBy A 18 ILE HG1x 1.0 1.8 6.0 112 80 A 18 ILE HG1x A 62 PHE HBx 1.0 1.8 6.0 113 81 A 62 PHE HD% A 18 ILE HG1x 1.0 1.8 5.0 114 82 A 18 ILE HG2% A 18 ILE HD1% 1.0 1.8 5.0 115 83 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.8 3.5 116 83 A 18 ILE HG2% A 18 ILE HG1y 1.0 1.8 3.5 117 84 A 18 ILE HG2% A 19 THR H 1.0 1.8 5.0 118 85 A 18 ILE HG2% A 27 TYR HE% 1.0 1.8 5.0 119 86 A 18 ILE HG2% A 60 VAL HB 1.0 1.8 5.0 120 87 A 60 VAL HG1% A 18 ILE HG2% 1.0 1.8 5.0 121 88 A 18 ILE HG2% A 61 TRP H 1.0 1.8 5.0 122 89 A 18 ILE HG2% A 62 PHE HD% 1.0 1.8 6.0 123 90 A 18 ILE H A 18 ILE HD1% 1.0 1.8 5.0 124 91 A 18 ILE H A 18 ILE HG1y 1.0 1.8 5.0 125 92 A 18 ILE H A 18 ILE HG1x 1.0 1.8 5.0 126 93 A 18 ILE H A 19 THR H 1.0 1.8 6.0 127 94 A 18 ILE H A 61 TRP H 1.0 1.8 5.0 128 95 A 18 ILE H A 62 PHE HA 1.0 1.8 5.0 129 96 A 18 ILE H A 62 PHE HBx 1.0 1.8 6.0 130 96 A 18 ILE H A 62 PHE HBy 1.0 1.8 6.0 131 97 A 18 ILE H A 62 PHE HD% 1.0 1.8 6.0 132 98 A 19 THR HG2% A 19 THR HA 1.0 1.8 3.5 133 99 A 19 THR HA A 20 TRP H 1.0 1.8 2.7 134 100 A 22 ASP H A 19 THR HB 1.0 1.8 5.0 135 101 A 19 THR HG1 A 22 ASP HBy 1.0 1.8 6.0 136 101 A 22 ASP HBx A 19 THR HG1 1.0 1.8 6.0 137 102 A 22 ASP H A 19 THR HG1 1.0 1.8 5.0 138 103 A 19 THR HG2% A 19 THR HG1 1.0 1.8 5.0 139 104 A 19 THR HG2% A 20 TRP H 1.0 1.8 5.0 140 105 A 19 THR HG2% A 21 LYS H 1.0 1.8 5.0 141 106 A 19 THR HG2% A 22 ASP H 1.0 1.8 5.0 142 107 A 19 THR H A 19 THR HG1 1.0 1.8 5.0 143 108 A 19 THR HG2% A 19 THR H 1.0 1.8 3.5 144 109 A 19 THR H A 20 TRP H 1.0 1.8 5.0 145 110 A 19 THR H A 22 ASP HBy 1.0 1.8 3.5 146 110 A 19 THR H A 22 ASP HBx 1.0 1.8 3.5 147 111 A 19 THR H A 22 ASP H 1.0 1.8 5.0 148 112 A 19 THR H A 23 PHE H 1.0 1.8 5.0 149 113 A 20 TRP HA A 20 TRP HE3 1.0 1.8 5.0 150 114 A 20 TRP HA A 23 PHE HBy 1.0 1.8 5.0 151 115 A 23 PHE HBx A 20 TRP HA 1.0 1.8 5.0 152 116 A 23 PHE HD% A 20 TRP HA 1.0 1.8 5.0 153 117 A 23 PHE H A 20 TRP HA 1.0 1.8 5.0 154 118 A 24 VAL H A 20 TRP HA 1.0 1.8 5.0 155 119 A 20 TRP HE1 A 20 TRP HBx 1.0 1.8 6.0 156 119 A 20 TRP HBy A 20 TRP HE1 1.0 1.8 6.0 157 120 A 20 TRP HBy A 20 TRP HD1 1.0 1.8 5.0 158 121 A 21 LYS H A 20 TRP HBy 1.0 1.8 5.0 159 122 A 20 TRP HD1 A 20 TRP HBx 1.0 1.8 5.0 160 123 A 21 LYS H A 20 TRP HBx 1.0 1.8 5.0 161 124 A 20 TRP HD1 A 21 LYS HA 1.0 1.8 5.0 162 125 A 20 TRP HD1 A 21 LYS HBx 1.0 1.8 5.0 163 125 A 20 TRP HD1 A 21 LYS HBy 1.0 1.8 5.0 164 126 A 21 LYS H A 20 TRP HD1 1.0 1.8 5.0 165 127 A 20 TRP HD1 A 24 VAL HG2% 1.0 1.8 5.0 166 128 A 20 TRP HE1 A 24 VAL HG1% 1.0 1.8 5.0 167 129 A 20 TRP HE1 A 24 VAL HG2% 1.0 1.8 5.0 168 130 A 20 TRP HE1 A 73 ASN HBx 1.0 1.8 5.0 169 130 A 20 TRP HE1 A 73 ASN HBy 1.0 1.8 5.0 170 131 A 20 TRP HE1 A 77 LEU HD2% 1.0 1.8 5.0 171 132 A 23 PHE HD% A 20 TRP HE3 1.0 1.8 5.0 172 133 A 20 TRP HE3 A 24 VAL HG2% 1.0 1.8 5.0 173 134 A 62 PHE HE% A 20 TRP HE3 1.0 1.8 5.0 174 135 A 62 PHE HZ A 20 TRP HE3 1.0 1.8 6.0 175 136 A 20 TRP HH2 A 74 LEU HA 1.0 1.8 5.0 176 137 A 20 TRP HH2 A 74 LEU HBy 1.0 1.8 6.0 177 138 A 20 TRP HH2 A 74 LEU HBx 1.0 1.8 6.0 178 139 A 20 TRP HH2 A 74 LEU HD1% 1.0 1.8 5.0 179 140 A 20 TRP HH2 A 74 LEU H 1.0 1.8 5.0 180 141 A 20 TRP HH2 A 77 LEU HBx 1.0 1.8 6.0 181 141 A 20 TRP HH2 A 77 LEU HBy 1.0 1.8 6.0 182 142 A 20 TRP H A 20 TRP HBy 1.0 1.8 3.5 183 143 A 20 TRP H A 20 TRP HBx 1.0 1.8 3.5 184 144 A 20 TRP H A 20 TRP HD1 1.0 1.8 5.0 185 145 A 20 TRP H A 21 LYS H 1.0 1.8 3.5 186 146 A 22 ASP H A 20 TRP H 1.0 1.8 5.0 187 147 A 24 VAL HG2% A 20 TRP HZ2 1.0 1.8 5.0 188 148 A 73 ASN HBy A 20 TRP HZ2 1.0 1.8 5.0 189 149 A 20 TRP HZ2 A 73 ASN HBx 1.0 1.8 5.0 190 150 A 74 LEU HA A 20 TRP HZ2 1.0 1.8 5.0 191 151 A 20 TRP HZ2 A 74 LEU HBx 1.0 1.8 6.0 192 151 A 20 TRP HZ2 A 74 LEU HBy 1.0 1.8 6.0 193 152 A 74 LEU HD1% A 20 TRP HZ2 1.0 1.8 5.0 194 153 A 74 LEU H A 20 TRP HZ2 1.0 1.8 5.0 195 154 A 20 TRP HZ2 A 77 LEU HBx 1.0 1.8 5.0 196 154 A 77 LEU HBy A 20 TRP HZ2 1.0 1.8 5.0 197 155 A 77 LEU HD2% A 20 TRP HZ2 1.0 1.8 5.0 198 156 A 24 VAL HG2% A 20 TRP HZ3 1.0 1.8 5.0 199 157 A 20 TRP HZ3 A 36 LEU HD1% 1.0 1.8 5.0 200 158 A 62 PHE HE% A 20 TRP HZ3 1.0 1.8 5.0 201 159 A 62 PHE HZ A 20 TRP HZ3 1.0 1.8 6.0 202 160 A 74 LEU HD1% A 20 TRP HZ3 1.0 1.8 5.0 203 161 A 21 LYS HA A 21 LYS HDx 1.0 1.8 5.0 204 161 A 21 LYS HA A 21 LYS HDy 1.0 1.8 5.0 205 162 A 21 LYS HA A 24 VAL HB 1.0 1.8 5.0 206 163 A 21 LYS HA A 24 VAL HG1% 1.0 1.8 5.0 207 164 A 21 LYS HA A 24 VAL HG2% 1.0 1.8 5.0 208 165 A 24 VAL H A 21 LYS HA 1.0 1.8 5.0 209 166 A 21 LYS HA A 25 ASN H 1.0 1.8 5.0 210 167 A 21 LYS HBx A 21 LYS HDx 1.0 1.8 3.5 211 167 A 21 LYS HBy A 21 LYS HDx 1.0 1.8 3.5 212 167 A 21 LYS HDy A 21 LYS HBx 1.0 1.8 3.5 213 167 A 21 LYS HBy A 21 LYS HDy 1.0 1.8 3.5 214 168 A 21 LYS HBx A 21 LYS HEx 1.0 1.8 5.0 215 168 A 21 LYS HBy A 21 LYS HEx 1.0 1.8 5.0 216 168 A 21 LYS HEy A 21 LYS HBx 1.0 1.8 5.0 217 168 A 21 LYS HBy A 21 LYS HEy 1.0 1.8 5.0 218 169 A 22 ASP H A 21 LYS HBx 1.0 1.8 3.5 219 169 A 22 ASP H A 21 LYS HBy 1.0 1.8 3.5 220 170 A 25 ASN HD21 A 21 LYS HDx 1.0 1.8 6.0 221 170 A 21 LYS HDy A 25 ASN HD21 1.0 1.8 6.0 222 171 A 25 ASN HD22 A 21 LYS HDx 1.0 1.8 6.0 223 171 A 21 LYS HDy A 25 ASN HD22 1.0 1.8 6.0 224 172 A 25 ASN HD21 A 21 LYS HEx 1.0 1.8 6.0 225 172 A 21 LYS HEy A 25 ASN HD21 1.0 1.8 6.0 226 173 A 25 ASN HD22 A 21 LYS HEx 1.0 1.8 6.0 227 173 A 21 LYS HEy A 25 ASN HD22 1.0 1.8 6.0 228 174 A 22 ASP H A 21 LYS HGy 1.0 1.8 5.0 229 174 A 22 ASP H A 21 LYS HGx 1.0 1.8 5.0 230 175 A 25 ASN HD22 A 21 LYS HGx 1.0 1.8 5.0 231 175 A 25 ASN HD22 A 21 LYS HGy 1.0 1.8 5.0 232 175 A 25 ASN HD21 A 21 LYS HGy 1.0 1.8 5.0 233 175 A 25 ASN HD21 A 21 LYS HGx 1.0 1.8 5.0 234 176 A 25 ASN HD21 A 21 LYS HGy 1.0 1.8 6.0 235 177 A 25 ASN HD22 A 21 LYS HGy 1.0 1.8 6.0 236 178 A 25 ASN HD21 A 21 LYS HGx 1.0 1.8 6.0 237 179 A 25 ASN HD22 A 21 LYS HGx 1.0 1.8 6.0 238 180 A 21 LYS H A 21 LYS HBx 1.0 1.8 3.5 239 180 A 21 LYS H A 21 LYS HBy 1.0 1.8 3.5 240 181 A 21 LYS H A 21 LYS HDx 1.0 1.8 5.0 241 181 A 21 LYS H A 21 LYS HDy 1.0 1.8 5.0 242 182 A 21 LYS H A 21 LYS HGy 1.0 1.8 5.0 243 183 A 21 LYS H A 21 LYS HGx 1.0 1.8 5.0 244 184 A 22 ASP H A 21 LYS H 1.0 1.8 3.5 245 185 A 24 VAL H A 22 ASP HA 1.0 1.8 5.0 246 186 A 25 ASN H A 22 ASP HA 1.0 1.8 5.0 247 187 A 22 ASP HA A 26 ASN HD21 1.0 1.8 5.0 248 187 A 22 ASP HA A 26 ASN HD22 1.0 1.8 5.0 249 188 A 23 PHE H A 22 ASP HBy 1.0 1.8 3.5 250 188 A 22 ASP HBx A 23 PHE H 1.0 1.8 3.5 251 189 A 22 ASP HBx A 26 ASN HD21 1.0 1.8 5.0 252 189 A 22 ASP HBy A 26 ASN HD21 1.0 1.8 5.0 253 189 A 26 ASN HD22 A 22 ASP HBy 1.0 1.8 5.0 254 189 A 22 ASP HBx A 26 ASN HD22 1.0 1.8 5.0 255 190 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.5 256 190 A 22 ASP HBx A 22 ASP H 1.0 1.8 3.5 257 191 A 22 ASP H A 23 PHE H 1.0 1.8 3.5 258 192 A 22 ASP H A 24 VAL H 1.0 1.8 5.0 259 193 A 23 PHE HA A 23 PHE HD% 1.0 1.8 5.0 260 194 A 23 PHE HA A 26 ASN HBx 1.0 1.8 5.0 261 194 A 23 PHE HA A 26 ASN HBy 1.0 1.8 5.0 262 195 A 23 PHE HA A 26 ASN H 1.0 1.8 5.0 263 196 A 23 PHE HA A 27 TYR HBy 1.0 1.8 5.0 264 196 A 23 PHE HA A 27 TYR HBx 1.0 1.8 5.0 265 197 A 23 PHE HA A 27 TYR HD% 1.0 1.8 3.5 266 198 A 23 PHE HA A 27 TYR HE% 1.0 1.8 5.0 267 199 A 23 PHE HA A 27 TYR H 1.0 1.8 5.0 268 200 A 23 PHE HA A 28 LEU H 1.0 1.8 5.0 269 201 A 27 TYR HD% A 23 PHE HBy 1.0 1.8 5.0 270 201 A 27 TYR HD% A 23 PHE HBx 1.0 1.8 5.0 271 202 A 24 VAL HG2% A 23 PHE HBy 1.0 1.8 6.0 272 203 A 24 VAL H A 23 PHE HBy 1.0 1.8 5.0 273 204 A 23 PHE HBx A 24 VAL HG2% 1.0 1.8 6.0 274 205 A 24 VAL H A 23 PHE HBx 1.0 1.8 5.0 275 206 A 23 PHE HD% A 24 VAL HA 1.0 1.8 6.0 276 207 A 23 PHE HD% A 24 VAL HG2% 1.0 1.8 5.0 277 208 A 23 PHE HD% A 24 VAL H 1.0 1.8 5.0 278 209 A 23 PHE HD% A 27 TYR HBy 1.0 1.8 5.0 279 209 A 23 PHE HD% A 27 TYR HBx 1.0 1.8 5.0 280 210 A 23 PHE HD% A 27 TYR HD% 1.0 1.8 5.0 281 211 A 23 PHE HD% A 28 LEU HD1% 1.0 1.8 5.0 282 212 A 23 PHE HD% A 28 LEU H 1.0 1.8 5.0 283 213 A 23 PHE HD% A 33 VAL HG2% 1.0 1.8 6.0 284 214 A 23 PHE HD% A 46 VAL HG1% 1.0 1.8 5.0 285 215 A 23 PHE HD% A 46 VAL HG2% 1.0 1.8 5.0 286 216 A 24 VAL HA A 23 PHE HE% 1.0 1.8 6.0 287 217 A 24 VAL HG2% A 23 PHE HE% 1.0 1.8 5.0 288 218 A 23 PHE HE% A 27 TYR HBy 1.0 1.8 5.0 289 218 A 27 TYR HBx A 23 PHE HE% 1.0 1.8 5.0 290 219 A 23 PHE HE% A 28 LEU HBx 1.0 1.8 6.0 291 219 A 23 PHE HE% A 28 LEU HBy 1.0 1.8 6.0 292 220 A 28 LEU HD1% A 23 PHE HE% 1.0 1.8 5.0 293 221 A 23 PHE HE% A 28 LEU HD2% 1.0 1.8 5.0 294 222 A 28 LEU H A 23 PHE HE% 1.0 1.8 5.0 295 223 A 23 PHE HE% A 33 VAL HG1% 1.0 1.8 5.0 296 224 A 33 VAL HG2% A 23 PHE HE% 1.0 1.8 5.0 297 225 A 36 LEU HD1% A 23 PHE HE% 1.0 1.8 6.0 298 226 A 23 PHE HE% A 36 LEU HD2% 1.0 1.8 5.0 299 227 A 23 PHE HE% A 46 VAL HB 1.0 1.8 6.0 300 228 A 46 VAL HG1% A 23 PHE HE% 1.0 1.8 5.0 301 229 A 46 VAL HG2% A 23 PHE HE% 1.0 1.8 5.0 302 230 A 23 PHE H A 23 PHE HBy 1.0 1.8 3.5 303 231 A 23 PHE H A 23 PHE HBx 1.0 1.8 3.5 304 232 A 23 PHE HD% A 23 PHE H 1.0 1.8 5.0 305 233 A 23 PHE H A 24 VAL HG2% 1.0 1.8 5.0 306 234 A 23 PHE H A 24 VAL H 1.0 1.8 3.5 307 235 A 23 PHE H A 27 TYR HD% 1.0 1.8 5.0 308 236 A 28 LEU HD1% A 23 PHE HZ 1.0 1.8 5.0 309 237 A 33 VAL HG1% A 23 PHE HZ 1.0 1.8 6.0 310 238 A 33 VAL HG2% A 23 PHE HZ 1.0 1.8 5.0 311 239 A 36 LEU HD1% A 23 PHE HZ 1.0 1.8 5.0 312 240 A 36 LEU HD2% A 23 PHE HZ 1.0 1.8 5.0 313 241 A 24 VAL HG1% A 24 VAL HA 1.0 1.8 3.5 314 242 A 24 VAL HG2% A 24 VAL HA 1.0 1.8 3.5 315 243 A 24 VAL HA A 28 LEU HA 1.0 1.8 6.0 316 244 A 24 VAL HA A 28 LEU HBy 1.0 1.8 5.0 317 245 A 24 VAL HA A 28 LEU HBx 1.0 1.8 5.0 318 246 A 24 VAL HA A 28 LEU HD2% 1.0 1.8 5.0 319 247 A 28 LEU H A 24 VAL HA 1.0 1.8 5.0 320 248 A 24 VAL HA A 29 SER H 1.0 1.8 5.0 321 249 A 24 VAL HB A 25 ASN HD21 1.0 1.8 6.0 322 250 A 24 VAL HB A 25 ASN HD22 1.0 1.8 6.0 323 251 A 24 VAL HB A 25 ASN H 1.0 1.8 3.5 324 252 A 24 VAL HB A 28 LEU HD2% 1.0 1.8 6.0 325 253 A 24 VAL HG1% A 25 ASN HA 1.0 1.8 5.0 326 254 A 24 VAL HG1% A 25 ASN H 1.0 1.8 5.0 327 255 A 24 VAL HG1% A 77 LEU HD2% 1.0 1.8 3.5 328 256 A 24 VAL HG2% A 25 ASN H 1.0 1.8 5.0 329 257 A 24 VAL HG2% A 28 LEU HBx 1.0 1.8 5.0 330 257 A 24 VAL HG2% A 28 LEU HBy 1.0 1.8 5.0 331 258 A 24 VAL HG2% A 28 LEU HD2% 1.0 1.8 5.0 332 259 A 24 VAL HG2% A 28 LEU HG 1.0 1.8 6.0 333 260 A 24 VAL HG2% A 28 LEU H 1.0 1.8 5.0 334 261 A 24 VAL HG2% A 74 LEU HA 1.0 1.8 6.0 335 262 A 24 VAL HG2% A 77 LEU HD2% 1.0 1.8 3.5 336 263 A 24 VAL H A 24 VAL HB 1.0 1.8 3.5 337 264 A 24 VAL H A 24 VAL HG1% 1.0 1.8 5.0 338 265 A 24 VAL H A 24 VAL HG2% 1.0 1.8 3.5 339 266 A 24 VAL H A 27 TYR H 1.0 1.8 5.0 340 267 A 24 VAL H A 29 SER H 1.0 1.8 6.0 341 268 A 24 VAL H A 77 LEU HD2% 1.0 1.8 6.0 342 269 A 25 ASN HD22 A 25 ASN HBx 1.0 1.8 3.5 343 269 A 25 ASN HD21 A 25 ASN HBy 1.0 1.8 3.5 344 269 A 25 ASN HD21 A 25 ASN HBx 1.0 1.8 3.5 345 269 A 25 ASN HD22 A 25 ASN HBy 1.0 1.8 3.5 346 270 A 26 ASN H A 25 ASN HBy 1.0 1.8 5.0 347 271 A 26 ASN H A 25 ASN HBx 1.0 1.8 5.0 348 272 A 25 ASN H A 25 ASN HBx 1.0 1.8 3.5 349 272 A 25 ASN H A 25 ASN HBy 1.0 1.8 3.5 350 273 A 25 ASN H A 25 ASN HD21 1.0 1.8 5.0 351 274 A 25 ASN H A 25 ASN HD22 1.0 1.8 5.0 352 275 A 25 ASN H A 26 ASN H 1.0 1.8 3.5 353 276 A 25 ASN H A 27 TYR H 1.0 1.8 6.0 354 277 A 25 ASN H A 29 SER H 1.0 1.8 5.0 355 278 A 26 ASN HA A 30 LYS HBy 1.0 1.8 6.0 356 278 A 26 ASN HA A 30 LYS HBx 1.0 1.8 6.0 357 279 A 26 ASN HA A 30 LYS HDx 1.0 1.8 6.0 358 279 A 26 ASN HA A 30 LYS HDy 1.0 1.8 6.0 359 280 A 26 ASN HA A 30 LYS HEx 1.0 1.8 5.0 360 280 A 26 ASN HA A 30 LYS HEy 1.0 1.8 5.0 361 281 A 26 ASN HA A 30 LYS HGx 1.0 1.8 5.0 362 281 A 26 ASN HA A 30 LYS HGy 1.0 1.8 5.0 363 282 A 26 ASN HBy A 26 ASN HD21 1.0 1.8 3.5 364 282 A 26 ASN HBx A 26 ASN HD21 1.0 1.8 3.5 365 282 A 26 ASN HD22 A 26 ASN HBx 1.0 1.8 3.5 366 282 A 26 ASN HD22 A 26 ASN HBy 1.0 1.8 3.5 367 283 A 27 TYR HD% A 26 ASN HBy 1.0 1.8 5.0 368 284 A 27 TYR HE% A 26 ASN HBy 1.0 1.8 5.0 369 285 A 26 ASN HBy A 27 TYR H 1.0 1.8 5.0 370 286 A 27 TYR HD% A 26 ASN HBx 1.0 1.8 5.0 371 287 A 27 TYR HE% A 26 ASN HBx 1.0 1.8 5.0 372 288 A 27 TYR H A 26 ASN HBx 1.0 1.8 5.0 373 289 A 26 ASN H A 26 ASN HBx 1.0 1.8 3.5 374 289 A 26 ASN HBy A 26 ASN H 1.0 1.8 3.5 375 290 A 26 ASN H A 26 ASN HD21 1.0 1.8 5.0 376 290 A 26 ASN HD22 A 26 ASN H 1.0 1.8 5.0 377 291 A 27 TYR HD% A 26 ASN H 1.0 1.8 5.0 378 292 A 26 ASN H A 27 TYR H 1.0 1.8 3.5 379 293 A 27 TYR HD% A 27 TYR HA 1.0 1.8 3.5 380 294 A 27 TYR HA A 30 LYS HDx 1.0 1.8 6.0 381 294 A 30 LYS HDy A 27 TYR HA 1.0 1.8 6.0 382 295 A 27 TYR HA A 30 LYS H 1.0 1.8 5.0 383 296 A 27 TYR HA A 32 VAL HG2% 1.0 1.8 3.5 384 297 A 28 LEU HA A 27 TYR HBy 1.0 1.8 6.0 385 297 A 27 TYR HBx A 28 LEU HA 1.0 1.8 6.0 386 298 A 28 LEU H A 27 TYR HBy 1.0 1.8 3.5 387 298 A 27 TYR HBx A 28 LEU H 1.0 1.8 3.5 388 299 A 33 VAL HG2% A 27 TYR HBy 1.0 1.8 3.5 389 299 A 27 TYR HBx A 33 VAL HG2% 1.0 1.8 3.5 390 300 A 32 VAL HG2% A 27 TYR HBy 1.0 1.8 5.0 391 301 A 27 TYR HBx A 32 VAL HG2% 1.0 1.8 5.0 392 302 A 27 TYR HD% A 28 LEU H 1.0 1.8 5.0 393 303 A 27 TYR HD% A 32 VAL HG1% 1.0 1.8 5.0 394 304 A 27 TYR HD% A 32 VAL HG2% 1.0 1.8 3.5 395 305 A 27 TYR HD% A 33 VAL HG2% 1.0 1.8 5.0 396 306 A 60 VAL HG1% A 27 TYR HE% 1.0 1.8 5.0 397 307 A 27 TYR H A 27 TYR HBy 1.0 1.8 3.5 398 307 A 27 TYR HBx A 27 TYR H 1.0 1.8 3.5 399 308 A 27 TYR H A 28 LEU HBy 1.0 1.8 6.0 400 309 A 27 TYR H A 28 LEU HBx 1.0 1.8 6.0 401 310 A 27 TYR H A 28 LEU H 1.0 1.8 3.5 402 311 A 27 TYR H A 29 SER H 1.0 1.8 5.0 403 312 A 27 TYR H A 30 LYS HGx 1.0 1.8 6.0 404 312 A 27 TYR H A 30 LYS HGy 1.0 1.8 6.0 405 313 A 27 TYR H A 32 VAL HG2% 1.0 1.8 5.0 406 314 A 27 TYR H A 33 VAL HG2% 1.0 1.8 6.0 407 315 A 28 LEU HD1% A 28 LEU HA 1.0 1.8 3.5 408 316 A 28 LEU HD2% A 28 LEU HA 1.0 1.8 5.0 409 317 A 28 LEU HA A 30 LYS H 1.0 1.8 5.0 410 318 A 28 LEU HA A 31 GLY H 1.0 1.8 5.0 411 319 A 28 LEU HA A 33 VAL HB 1.0 1.8 5.0 412 320 A 28 LEU HA A 33 VAL H 1.0 1.8 5.0 413 321 A 28 LEU HD1% A 28 LEU HBx 1.0 1.8 3.5 414 321 A 28 LEU HD1% A 28 LEU HBy 1.0 1.8 3.5 415 322 A 28 LEU HD2% A 28 LEU HBx 1.0 1.8 3.5 416 322 A 28 LEU HBy A 28 LEU HD2% 1.0 1.8 3.5 417 323 A 31 GLY H A 28 LEU HBx 1.0 1.8 6.0 418 323 A 28 LEU HBy A 31 GLY H 1.0 1.8 6.0 419 324 A 81 LEU HD1% A 28 LEU HBx 1.0 1.8 5.0 420 324 A 28 LEU HBy A 81 LEU HD1% 1.0 1.8 5.0 421 325 A 28 LEU HBy A 29 SER H 1.0 1.8 5.0 422 326 A 29 SER H A 28 LEU HBx 1.0 1.8 5.0 423 327 A 28 LEU HD1% A 29 SER H 1.0 1.8 6.0 424 328 A 28 LEU HD2% A 29 SER H 1.0 1.8 5.0 425 329 A 28 LEU HD2% A 77 LEU HBx 1.0 1.8 5.0 426 329 A 77 LEU HBy A 28 LEU HD2% 1.0 1.8 5.0 427 330 A 28 LEU HD2% A 77 LEU HG 1.0 1.8 5.0 428 331 A 28 LEU HD2% A 78 GLN H 1.0 1.8 6.0 429 332 A 28 LEU HG A 31 GLY H 1.0 1.8 6.0 430 333 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.5 431 334 A 28 LEU H A 28 LEU HBx 1.0 1.8 3.5 432 335 A 28 LEU H A 28 LEU HD1% 1.0 1.8 5.0 433 336 A 28 LEU H A 28 LEU HD2% 1.0 1.8 5.0 434 337 A 28 LEU H A 29 SER H 1.0 1.8 5.0 435 338 A 28 LEU H A 30 LYS H 1.0 1.8 5.0 436 339 A 28 LEU H A 33 VAL HG2% 1.0 1.8 5.0 437 340 A 81 LEU HD1% A 29 SER HA 1.0 1.8 5.0 438 341 A 29 SER HA A 81 LEU HD2% 1.0 1.8 5.0 439 342 A 81 LEU HD1% A 29 SER HBy 1.0 1.8 5.0 440 342 A 81 LEU HD1% A 29 SER HBx 1.0 1.8 5.0 441 343 A 81 LEU HD2% A 29 SER HBy 1.0 1.8 5.0 442 343 A 81 LEU HD2% A 29 SER HBx 1.0 1.8 5.0 443 344 A 30 LYS H A 29 SER HBy 1.0 1.8 5.0 444 345 A 30 LYS H A 29 SER HBx 1.0 1.8 5.0 445 346 A 29 SER H A 29 SER HBy 1.0 1.8 3.5 446 346 A 29 SER H A 29 SER HBx 1.0 1.8 3.5 447 347 A 29 SER H A 30 LYS H 1.0 1.8 5.0 448 348 A 29 SER H A 31 GLY H 1.0 1.8 5.0 449 349 A 29 SER H A 81 LEU HD1% 1.0 1.8 6.0 450 350 A 29 SER H A 81 LEU HD2% 1.0 1.8 6.0 451 351 A 30 LYS HA A 30 LYS HDx 1.0 1.8 5.0 452 351 A 30 LYS HDy A 30 LYS HA 1.0 1.8 5.0 453 352 A 30 LYS HBy A 30 LYS HEx 1.0 1.8 5.0 454 352 A 30 LYS HBx A 30 LYS HEx 1.0 1.8 5.0 455 352 A 30 LYS HEy A 30 LYS HBy 1.0 1.8 5.0 456 352 A 30 LYS HBx A 30 LYS HEy 1.0 1.8 5.0 457 353 A 32 VAL HG1% A 30 LYS HBy 1.0 1.8 5.0 458 353 A 30 LYS HBx A 32 VAL HG1% 1.0 1.8 5.0 459 354 A 31 GLY H A 30 LYS HBy 1.0 1.8 5.0 460 355 A 32 VAL HG2% A 30 LYS HBy 1.0 1.8 5.0 461 356 A 32 VAL H A 30 LYS HBy 1.0 1.8 5.0 462 357 A 30 LYS HBx A 31 GLY H 1.0 1.8 5.0 463 358 A 30 LYS HBx A 32 VAL HG2% 1.0 1.8 5.0 464 359 A 30 LYS HBx A 32 VAL H 1.0 1.8 5.0 465 360 A 30 LYS HEx A 30 LYS HGx 1.0 1.8 3.5 466 360 A 30 LYS HEy A 30 LYS HGx 1.0 1.8 3.5 467 360 A 30 LYS HGy A 30 LYS HEx 1.0 1.8 3.5 468 360 A 30 LYS HEy A 30 LYS HGy 1.0 1.8 3.5 469 361 A 31 GLY H A 30 LYS HGx 1.0 1.8 6.0 470 361 A 30 LYS HGy A 31 GLY H 1.0 1.8 6.0 471 362 A 32 VAL HG1% A 30 LYS HGx 1.0 1.8 5.0 472 362 A 30 LYS HGy A 32 VAL HG1% 1.0 1.8 5.0 473 363 A 30 LYS H A 30 LYS HBy 1.0 1.8 3.5 474 363 A 30 LYS HBx A 30 LYS H 1.0 1.8 3.5 475 364 A 30 LYS H A 30 LYS HGx 1.0 1.8 5.0 476 364 A 30 LYS HGy A 30 LYS H 1.0 1.8 5.0 477 365 A 30 LYS H A 31 GLY H 1.0 1.8 3.5 478 366 A 30 LYS H A 32 VAL HG2% 1.0 1.8 5.0 479 367 A 30 LYS H A 32 VAL H 1.0 1.8 5.0 480 368 A 32 VAL HG1% A 31 GLY H 1.0 1.8 5.0 481 369 A 32 VAL HG2% A 31 GLY H 1.0 1.8 5.0 482 370 A 31 GLY H A 32 VAL H 1.0 1.8 3.5 483 371 A 33 VAL HG2% A 31 GLY H 1.0 1.8 5.0 484 372 A 31 GLY H A 33 VAL H 1.0 1.8 5.0 485 373 A 32 VAL HG1% A 32 VAL HA 1.0 1.8 3.5 486 374 A 32 VAL HA A 49 THR HG2% 1.0 1.8 5.0 487 375 A 32 VAL HA A 49 THR H 1.0 1.8 5.0 488 376 A 32 VAL HA A 52 LYS HEx 1.0 1.8 5.0 489 376 A 32 VAL HA A 52 LYS HEy 1.0 1.8 5.0 490 377 A 33 VAL H A 32 VAL HB 1.0 1.8 5.0 491 378 A 32 VAL HB A 48 PHE HD% 1.0 1.8 5.0 492 379 A 49 THR H A 32 VAL HB 1.0 1.8 5.0 493 380 A 32 VAL HB A 52 LYS HBy 1.0 1.8 5.0 494 380 A 32 VAL HB A 52 LYS HBx 1.0 1.8 5.0 495 381 A 32 VAL HG1% A 52 LYS HDx 1.0 1.8 5.0 496 381 A 32 VAL HG1% A 52 LYS HDy 1.0 1.8 5.0 497 382 A 32 VAL HG1% A 52 LYS HEx 1.0 1.8 5.0 498 382 A 32 VAL HG1% A 52 LYS HEy 1.0 1.8 5.0 499 383 A 32 VAL HG1% A 52 LYS HGy 1.0 1.8 5.0 500 383 A 32 VAL HG1% A 52 LYS HGx 1.0 1.8 5.0 501 384 A 33 VAL HG2% A 32 VAL HG2% 1.0 1.8 5.0 502 385 A 32 VAL HG2% A 33 VAL H 1.0 1.8 5.0 503 386 A 32 VAL HG2% A 48 PHE HD% 1.0 1.8 5.0 504 387 A 32 VAL HG2% A 48 PHE HE% 1.0 1.8 5.0 505 388 A 32 VAL HG2% A 48 PHE HZ 1.0 1.8 6.0 506 389 A 32 VAL HG1% A 32 VAL H 1.0 1.8 3.5 507 390 A 32 VAL HG2% A 32 VAL H 1.0 1.8 3.5 508 391 A 33 VAL HB A 32 VAL H 1.0 1.8 6.0 509 392 A 33 VAL HG2% A 32 VAL H 1.0 1.8 5.0 510 393 A 33 VAL H A 32 VAL H 1.0 1.8 3.5 511 394 A 33 VAL HG2% A 33 VAL HA 1.0 1.8 3.5 512 395 A 33 VAL HA A 34 ASP HBy 1.0 1.8 6.0 513 395 A 33 VAL HA A 34 ASP HBx 1.0 1.8 6.0 514 396 A 33 VAL HA A 34 ASP H 1.0 1.8 3.5 515 397 A 33 VAL HA A 35 ARG H 1.0 1.8 5.0 516 398 A 33 VAL HA A 48 PHE HA 1.0 1.8 5.0 517 399 A 33 VAL HA A 48 PHE HBy 1.0 1.8 6.0 518 399 A 33 VAL HA A 48 PHE HBx 1.0 1.8 6.0 519 400 A 48 PHE HD% A 33 VAL HA 1.0 1.8 5.0 520 401 A 49 THR H A 33 VAL HA 1.0 1.8 3.5 521 402 A 33 VAL HB A 89 VAL HG1% 1.0 1.8 5.0 522 403 A 33 VAL HB A 89 VAL HG2% 1.0 1.8 5.0 523 404 A 33 VAL HG1% A 34 ASP H 1.0 1.8 3.5 524 405 A 33 VAL HG1% A 35 ARG H 1.0 1.8 3.5 525 406 A 46 VAL HG1% A 33 VAL HG1% 1.0 1.8 3.5 526 407 A 33 VAL HG1% A 47 THR H 1.0 1.8 5.0 527 408 A 33 VAL HG1% A 48 PHE HA 1.0 1.8 5.0 528 409 A 33 VAL HG1% A 49 THR H 1.0 1.8 6.0 529 410 A 33 VAL HG2% A 34 ASP H 1.0 1.8 5.0 530 411 A 33 VAL HG2% A 46 VAL HG1% 1.0 1.8 3.5 531 412 A 33 VAL HG2% A 48 PHE HD% 1.0 1.8 5.0 532 413 A 33 VAL HB A 33 VAL H 1.0 1.8 3.5 533 414 A 33 VAL HG1% A 33 VAL H 1.0 1.8 5.0 534 415 A 33 VAL HG2% A 33 VAL H 1.0 1.8 3.5 535 416 A 33 VAL H A 34 ASP H 1.0 1.8 5.0 536 417 A 46 VAL HG1% A 33 VAL H 1.0 1.8 6.0 537 418 A 33 VAL H A 49 THR HG2% 1.0 1.8 5.0 538 419 A 34 ASP HBx A 35 ARG HGx 1.0 1.8 5.0 539 419 A 34 ASP HBy A 35 ARG HGx 1.0 1.8 5.0 540 419 A 35 ARG HGy A 34 ASP HBy 1.0 1.8 5.0 541 419 A 34 ASP HBx A 35 ARG HGy 1.0 1.8 5.0 542 420 A 49 THR HG2% A 34 ASP HBy 1.0 1.8 5.0 543 420 A 49 THR HG2% A 34 ASP HBx 1.0 1.8 5.0 544 421 A 35 ARG H A 34 ASP HBy 1.0 1.8 5.0 545 422 A 47 THR HB A 34 ASP HBy 1.0 1.8 6.0 546 423 A 47 THR HG2% A 34 ASP HBy 1.0 1.8 5.0 547 424 A 48 PHE HA A 34 ASP HBy 1.0 1.8 6.0 548 425 A 49 THR HA A 34 ASP HBy 1.0 1.8 5.0 549 426 A 49 THR H A 34 ASP HBy 1.0 1.8 6.0 550 427 A 50 PRO HDy A 34 ASP HBy 1.0 1.8 6.0 551 427 A 34 ASP HBy A 50 PRO HDx 1.0 1.8 6.0 552 428 A 34 ASP HBx A 35 ARG H 1.0 1.8 5.0 553 429 A 34 ASP HBx A 47 THR HB 1.0 1.8 6.0 554 430 A 34 ASP HBx A 47 THR HG2% 1.0 1.8 5.0 555 431 A 34 ASP HBx A 48 PHE HA 1.0 1.8 6.0 556 432 A 34 ASP HBx A 49 THR HA 1.0 1.8 5.0 557 433 A 49 THR H A 34 ASP HBx 1.0 1.8 6.0 558 434 A 34 ASP HBx A 50 PRO HDy 1.0 1.8 6.0 559 434 A 34 ASP HBx A 50 PRO HDx 1.0 1.8 6.0 560 435 A 34 ASP H A 35 ARG H 1.0 1.8 3.5 561 436 A 46 VAL HG1% A 34 ASP H 1.0 1.8 5.0 562 437 A 34 ASP H A 47 THR HG2% 1.0 1.8 5.0 563 438 A 34 ASP H A 47 THR H 1.0 1.8 6.0 564 439 A 34 ASP H A 48 PHE HA 1.0 1.8 5.0 565 440 A 49 THR HG2% A 34 ASP H 1.0 1.8 5.0 566 441 A 49 THR H A 34 ASP H 1.0 1.8 5.0 567 442 A 35 ARG HA A 36 LEU H 1.0 1.8 3.5 568 443 A 47 THR HB A 35 ARG HA 1.0 1.8 5.0 569 444 A 89 VAL HG1% A 35 ARG HA 1.0 1.8 5.0 570 445 A 89 VAL HG2% A 35 ARG HA 1.0 1.8 5.0 571 446 A 35 ARG HA A 90 PRO HDy 1.0 1.8 5.0 572 447 A 35 ARG HA A 90 PRO HDx 1.0 1.8 5.0 573 448 A 35 ARG HA A 90 PRO HGx 1.0 1.8 5.0 574 448 A 35 ARG HA A 90 PRO HGy 1.0 1.8 5.0 575 449 A 35 ARG HBx A 35 ARG HDy 1.0 1.8 3.5 576 449 A 35 ARG HBy A 35 ARG HDy 1.0 1.8 3.5 577 449 A 35 ARG HDx A 35 ARG HBx 1.0 1.8 3.5 578 449 A 35 ARG HBy A 35 ARG HDx 1.0 1.8 3.5 579 450 A 35 ARG HE A 35 ARG HBx 1.0 1.8 5.0 580 450 A 35 ARG HBy A 35 ARG HE 1.0 1.8 5.0 581 451 A 36 LEU H A 35 ARG HBx 1.0 1.8 3.5 582 451 A 36 LEU H A 35 ARG HBy 1.0 1.8 3.5 583 452 A 47 THR HB A 35 ARG HBx 1.0 1.8 5.0 584 452 A 47 THR HB A 35 ARG HBy 1.0 1.8 5.0 585 453 A 90 PRO HDy A 35 ARG HBx 1.0 1.8 5.0 586 453 A 90 PRO HDy A 35 ARG HBy 1.0 1.8 5.0 587 454 A 90 PRO HDx A 35 ARG HBx 1.0 1.8 5.0 588 454 A 90 PRO HDx A 35 ARG HBy 1.0 1.8 5.0 589 455 A 35 ARG HBx A 90 PRO HGx 1.0 1.8 5.0 590 455 A 35 ARG HBy A 90 PRO HGx 1.0 1.8 5.0 591 455 A 90 PRO HGy A 35 ARG HBx 1.0 1.8 5.0 592 455 A 90 PRO HGy A 35 ARG HBy 1.0 1.8 5.0 593 456 A 92 VAL HG2% A 35 ARG HBx 1.0 1.8 5.0 594 456 A 35 ARG HBy A 92 VAL HG2% 1.0 1.8 5.0 595 457 A 35 ARG HDy A 37 GLU HGx 1.0 1.8 5.0 596 457 A 37 GLU HGy A 35 ARG HDy 1.0 1.8 5.0 597 457 A 35 ARG HDx A 37 GLU HGy 1.0 1.8 5.0 598 457 A 35 ARG HDx A 37 GLU HGx 1.0 1.8 5.0 599 458 A 92 VAL HG2% A 35 ARG HDy 1.0 1.8 5.0 600 458 A 35 ARG HDx A 92 VAL HG2% 1.0 1.8 5.0 601 459 A 92 VAL HG1% A 35 ARG HDy 1.0 1.8 6.0 602 460 A 35 ARG HDx A 92 VAL HG1% 1.0 1.8 6.0 603 461 A 35 ARG HE A 92 VAL HG2% 1.0 1.8 6.0 604 462 A 36 LEU H A 35 ARG HGx 1.0 1.8 5.0 605 462 A 35 ARG HGy A 36 LEU H 1.0 1.8 5.0 606 463 A 35 ARG HGy A 37 GLU HGx 1.0 1.8 5.0 607 463 A 35 ARG HGx A 37 GLU HGx 1.0 1.8 5.0 608 463 A 37 GLU HGy A 35 ARG HGx 1.0 1.8 5.0 609 463 A 35 ARG HGy A 37 GLU HGy 1.0 1.8 5.0 610 464 A 47 THR HB A 35 ARG HGx 1.0 1.8 5.0 611 464 A 35 ARG HGy A 47 THR HB 1.0 1.8 5.0 612 465 A 35 ARG HGx A 90 PRO HGx 1.0 1.8 6.0 613 465 A 35 ARG HGy A 90 PRO HGx 1.0 1.8 6.0 614 465 A 90 PRO HGy A 35 ARG HGx 1.0 1.8 6.0 615 465 A 35 ARG HGy A 90 PRO HGy 1.0 1.8 6.0 616 466 A 35 ARG H A 35 ARG HGx 1.0 1.8 5.0 617 466 A 35 ARG H A 35 ARG HGy 1.0 1.8 5.0 618 467 A 35 ARG H A 36 LEU H 1.0 1.8 5.0 619 468 A 46 VAL HG1% A 35 ARG H 1.0 1.8 6.0 620 469 A 35 ARG H A 47 THR HB 1.0 1.8 5.0 621 470 A 35 ARG H A 47 THR HG2% 1.0 1.8 5.0 622 471 A 35 ARG H A 47 THR H 1.0 1.8 5.0 623 472 A 35 ARG H A 48 PHE HA 1.0 1.8 6.0 624 473 A 35 ARG H A 89 VAL HG1% 1.0 1.8 5.0 625 474 A 36 LEU HD1% A 36 LEU HA 1.0 1.8 5.0 626 475 A 36 LEU HD2% A 36 LEU HA 1.0 1.8 3.5 627 476 A 36 LEU HA A 37 GLU H 1.0 1.8 3.5 628 477 A 36 LEU HA A 44 VAL HG1% 1.0 1.8 5.0 629 478 A 36 LEU HA A 46 VAL HA 1.0 1.8 5.0 630 479 A 47 THR H A 36 LEU HA 1.0 1.8 5.0 631 480 A 44 VAL HG1% A 36 LEU HBx 1.0 1.8 3.5 632 480 A 44 VAL HG1% A 36 LEU HBy 1.0 1.8 3.5 633 481 A 74 LEU HD2% A 36 LEU HBx 1.0 1.8 5.0 634 481 A 36 LEU HBy A 74 LEU HD2% 1.0 1.8 5.0 635 482 A 89 VAL HG1% A 36 LEU HBx 1.0 1.8 5.0 636 482 A 89 VAL HG1% A 36 LEU HBy 1.0 1.8 5.0 637 483 A 91 VAL HA A 36 LEU HBx 1.0 1.8 5.0 638 483 A 36 LEU HBy A 91 VAL HA 1.0 1.8 5.0 639 484 A 91 VAL HG2% A 36 LEU HBx 1.0 1.8 5.0 640 484 A 36 LEU HBy A 91 VAL HG2% 1.0 1.8 5.0 641 485 A 36 LEU HD1% A 44 VAL HG1% 1.0 1.8 5.0 642 486 A 62 PHE HZ A 36 LEU HD1% 1.0 1.8 5.0 643 487 A 36 LEU HD1% A 70 PHE HE% 1.0 1.8 5.0 644 488 A 36 LEU HD1% A 70 PHE HZ 1.0 1.8 5.0 645 489 A 74 LEU HD1% A 36 LEU HD1% 1.0 1.8 5.0 646 490 A 36 LEU HD1% A 74 LEU HD2% 1.0 1.8 3.5 647 491 A 36 LEU HD1% A 89 VAL HG1% 1.0 1.8 3.5 648 492 A 36 LEU HD2% A 37 GLU H 1.0 1.8 5.0 649 493 A 36 LEU HD2% A 44 VAL HG1% 1.0 1.8 3.5 650 494 A 36 LEU HD2% A 46 VAL HA 1.0 1.8 3.5 651 495 A 46 VAL HG1% A 36 LEU HD2% 1.0 1.8 5.0 652 496 A 46 VAL HG2% A 36 LEU HD2% 1.0 1.8 3.5 653 497 A 36 LEU HD2% A 47 THR H 1.0 1.8 5.0 654 498 A 62 PHE HD% A 36 LEU HD2% 1.0 1.8 6.0 655 499 A 62 PHE HE% A 36 LEU HD2% 1.0 1.8 5.0 656 500 A 62 PHE HZ A 36 LEU HD2% 1.0 1.8 5.0 657 501 A 36 LEU HD2% A 70 PHE HE% 1.0 1.8 6.0 658 502 A 36 LEU HD2% A 70 PHE HZ 1.0 1.8 5.0 659 503 A 44 VAL HG1% A 36 LEU HG 1.0 1.8 5.0 660 504 A 89 VAL HG1% A 36 LEU HG 1.0 1.8 3.5 661 505 A 89 VAL HG2% A 36 LEU HG 1.0 1.8 5.0 662 506 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.5 663 506 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.5 664 507 A 36 LEU HD1% A 36 LEU H 1.0 1.8 5.0 665 508 A 36 LEU H A 36 LEU HG 1.0 1.8 5.0 666 509 A 47 THR HB A 36 LEU H 1.0 1.8 6.0 667 510 A 89 VAL HG1% A 36 LEU H 1.0 1.8 5.0 668 511 A 36 LEU H A 90 PRO HDy 1.0 1.8 6.0 669 512 A 36 LEU H A 90 PRO HDx 1.0 1.8 6.0 670 513 A 36 LEU H A 91 VAL HA 1.0 1.8 5.0 671 514 A 36 LEU H A 91 VAL HG1% 1.0 1.8 6.0 672 515 A 36 LEU H A 92 VAL HG2% 1.0 1.8 5.0 673 516 A 36 LEU H A 92 VAL H 1.0 1.8 5.0 674 517 A 37 GLU HA A 38 VAL HG2% 1.0 1.8 5.0 675 518 A 37 GLU HA A 38 VAL H 1.0 1.8 3.5 676 519 A 91 VAL HG1% A 37 GLU HA 1.0 1.8 5.0 677 520 A 37 GLU HA A 92 VAL HB 1.0 1.8 5.0 678 521 A 92 VAL HG1% A 37 GLU HA 1.0 1.8 5.0 679 522 A 92 VAL HG2% A 37 GLU HA 1.0 1.8 5.0 680 523 A 92 VAL H A 37 GLU HA 1.0 1.8 5.0 681 524 A 37 GLU HA A 94 ILE HG1x 1.0 1.8 6.0 682 524 A 37 GLU HA A 94 ILE HG1y 1.0 1.8 6.0 683 525 A 39 VAL HG2% A 37 GLU HBy 1.0 1.8 5.0 684 525 A 37 GLU HBx A 39 VAL HG2% 1.0 1.8 5.0 685 526 A 44 VAL HG1% A 37 GLU HBy 1.0 1.8 6.0 686 526 A 44 VAL HG1% A 37 GLU HBx 1.0 1.8 6.0 687 527 A 45 ARG H A 37 GLU HBy 1.0 1.8 5.0 688 527 A 37 GLU HBx A 45 ARG H 1.0 1.8 5.0 689 528 A 92 VAL HB A 37 GLU HBy 1.0 1.8 5.0 690 528 A 92 VAL HB A 37 GLU HBx 1.0 1.8 5.0 691 529 A 92 VAL HG1% A 37 GLU HBy 1.0 1.8 5.0 692 529 A 92 VAL HG1% A 37 GLU HBx 1.0 1.8 5.0 693 530 A 92 VAL HG2% A 37 GLU HBy 1.0 1.8 6.0 694 530 A 92 VAL HG2% A 37 GLU HBx 1.0 1.8 6.0 695 531 A 92 VAL H A 37 GLU HBy 1.0 1.8 6.0 696 531 A 92 VAL H A 37 GLU HBx 1.0 1.8 6.0 697 532 A 94 ILE HD1% A 37 GLU HBy 1.0 1.8 5.0 698 532 A 37 GLU HBx A 94 ILE HD1% 1.0 1.8 5.0 699 533 A 37 GLU HBx A 94 ILE HG1x 1.0 1.8 5.0 700 533 A 94 ILE HG1y A 37 GLU HBy 1.0 1.8 5.0 701 533 A 94 ILE HG1y A 37 GLU HBx 1.0 1.8 5.0 702 533 A 37 GLU HBy A 94 ILE HG1x 1.0 1.8 5.0 703 534 A 38 VAL H A 37 GLU HBy 1.0 1.8 5.0 704 535 A 38 VAL H A 37 GLU HBx 1.0 1.8 5.0 705 536 A 92 VAL HG1% A 37 GLU HGx 1.0 1.8 5.0 706 536 A 37 GLU HGy A 92 VAL HG1% 1.0 1.8 5.0 707 537 A 92 VAL HG2% A 37 GLU HGx 1.0 1.8 3.5 708 537 A 92 VAL HG2% A 37 GLU HGy 1.0 1.8 3.5 709 538 A 92 VAL H A 37 GLU HGx 1.0 1.8 6.0 710 538 A 37 GLU HGy A 92 VAL H 1.0 1.8 6.0 711 539 A 94 ILE HD1% A 37 GLU HGx 1.0 1.8 5.0 712 539 A 37 GLU HGy A 94 ILE HD1% 1.0 1.8 5.0 713 540 A 37 GLU H A 37 GLU HGx 1.0 1.8 5.0 714 540 A 37 GLU HGy A 37 GLU H 1.0 1.8 5.0 715 541 A 37 GLU H A 38 VAL H 1.0 1.8 5.0 716 542 A 37 GLU H A 44 VAL HA 1.0 1.8 5.0 717 543 A 37 GLU H A 44 VAL HG1% 1.0 1.8 5.0 718 544 A 37 GLU H A 45 ARG H 1.0 1.8 5.0 719 545 A 37 GLU H A 46 VAL HA 1.0 1.8 5.0 720 546 A 37 GLU H A 92 VAL HB 1.0 1.8 6.0 721 547 A 39 VAL HG2% A 38 VAL HA 1.0 1.8 5.0 722 548 A 38 VAL HA A 39 VAL H 1.0 1.8 3.5 723 549 A 38 VAL HA A 43 PHE H 1.0 1.8 5.0 724 550 A 44 VAL HA A 38 VAL HA 1.0 1.8 5.0 725 551 A 44 VAL HG1% A 38 VAL HA 1.0 1.8 5.0 726 552 A 38 VAL HA A 44 VAL HG2% 1.0 1.8 5.0 727 553 A 45 ARG H A 38 VAL HA 1.0 1.8 5.0 728 554 A 39 VAL H A 38 VAL HB 1.0 1.8 5.0 729 555 A 38 VAL HB A 41 LYS H 1.0 1.8 5.0 730 556 A 38 VAL HB A 93 TYR HA 1.0 1.8 5.0 731 557 A 38 VAL HB A 93 TYR HD% 1.0 1.8 5.0 732 558 A 38 VAL HB A 93 TYR HE% 1.0 1.8 5.0 733 559 A 38 VAL HB A 94 ILE H 1.0 1.8 5.0 734 560 A 39 VAL H A 38 VAL HG1% 1.0 1.8 5.0 735 561 A 38 VAL HG1% A 41 LYS HA 1.0 1.8 3.5 736 562 A 41 LYS H A 38 VAL HG1% 1.0 1.8 5.0 737 563 A 38 VAL HG1% A 42 ARG H 1.0 1.8 5.0 738 564 A 43 PHE H A 38 VAL HG1% 1.0 1.8 5.0 739 565 A 44 VAL HG2% A 38 VAL HG1% 1.0 1.8 5.0 740 566 A 38 VAL HG1% A 64 ILE HD1% 1.0 1.8 3.5 741 567 A 38 VAL HG1% A 67 VAL HG1% 1.0 1.8 5.0 742 568 A 38 VAL HG1% A 67 VAL HG2% 1.0 1.8 5.0 743 569 A 93 TYR HA A 38 VAL HG1% 1.0 1.8 5.0 744 570 A 93 TYR HD% A 38 VAL HG1% 1.0 1.8 5.0 745 571 A 93 TYR HE% A 38 VAL HG1% 1.0 1.8 5.0 746 572 A 38 VAL HG2% A 44 VAL HA 1.0 1.8 5.0 747 573 A 38 VAL HG2% A 44 VAL HG2% 1.0 1.8 3.5 748 574 A 38 VAL HG2% A 70 PHE HD% 1.0 1.8 5.0 749 575 A 70 PHE HE% A 38 VAL HG2% 1.0 1.8 5.0 750 576 A 70 PHE HZ A 38 VAL HG2% 1.0 1.8 5.0 751 577 A 38 VAL HG2% A 91 VAL HB 1.0 1.8 6.0 752 578 A 91 VAL HG1% A 38 VAL HG2% 1.0 1.8 3.5 753 579 A 38 VAL HG2% A 92 VAL HB 1.0 1.8 6.0 754 580 A 92 VAL H A 38 VAL HG2% 1.0 1.8 5.0 755 581 A 38 VAL HG2% A 93 TYR HA 1.0 1.8 5.0 756 582 A 38 VAL HG2% A 93 TYR HE% 1.0 1.8 5.0 757 583 A 38 VAL H A 38 VAL HB 1.0 1.8 3.5 758 584 A 38 VAL H A 38 VAL HG1% 1.0 1.8 5.0 759 585 A 38 VAL HG2% A 38 VAL H 1.0 1.8 3.5 760 586 A 38 VAL H A 39 VAL HG2% 1.0 1.8 6.0 761 587 A 38 VAL H A 39 VAL H 1.0 1.8 5.0 762 588 A 44 VAL HG1% A 38 VAL H 1.0 1.8 6.0 763 589 A 91 VAL HG1% A 38 VAL H 1.0 1.8 5.0 764 590 A 38 VAL H A 92 VAL HB 1.0 1.8 5.0 765 591 A 92 VAL HG2% A 38 VAL H 1.0 1.8 5.0 766 592 A 92 VAL H A 38 VAL H 1.0 1.8 5.0 767 593 A 38 VAL H A 93 TYR HD% 1.0 1.8 5.0 768 594 A 38 VAL H A 94 ILE H 1.0 1.8 5.0 769 595 A 39 VAL HA A 39 VAL HG1% 1.0 1.8 3.5 770 596 A 39 VAL HA A 40 ASN H 1.0 1.8 3.5 771 597 A 41 LYS H A 39 VAL HA 1.0 1.8 5.0 772 598 A 39 VAL HA A 94 ILE HB 1.0 1.8 5.0 773 599 A 39 VAL HA A 94 ILE HG1x 1.0 1.8 5.0 774 599 A 94 ILE HG1y A 39 VAL HA 1.0 1.8 5.0 775 600 A 39 VAL HA A 94 ILE HG2% 1.0 1.8 5.0 776 601 A 94 ILE H A 39 VAL HA 1.0 1.8 5.0 777 602 A 39 VAL HB A 43 PHE HE% 1.0 1.8 6.0 778 603 A 39 VAL HB A 43 PHE HZ 1.0 1.8 6.0 779 604 A 39 VAL HG1% A 40 ASN HA 1.0 1.8 5.0 780 605 A 39 VAL HG1% A 40 ASN HBx 1.0 1.8 5.0 781 605 A 39 VAL HG1% A 40 ASN HBy 1.0 1.8 5.0 782 606 A 39 VAL HG1% A 40 ASN HD21 1.0 1.8 5.0 783 606 A 39 VAL HG1% A 40 ASN HD22 1.0 1.8 5.0 784 607 A 39 VAL HG1% A 40 ASN HD21 1.0 1.8 5.0 785 608 A 39 VAL HG1% A 40 ASN HD22 1.0 1.8 5.0 786 609 A 39 VAL HG1% A 40 ASN H 1.0 1.8 5.0 787 610 A 39 VAL HG1% A 42 ARG HBx 1.0 1.8 6.0 788 610 A 39 VAL HG1% A 42 ARG HBy 1.0 1.8 6.0 789 611 A 39 VAL HG1% A 43 PHE HD% 1.0 1.8 5.0 790 612 A 39 VAL HG1% A 43 PHE HE% 1.0 1.8 5.0 791 613 A 43 PHE H A 39 VAL HG1% 1.0 1.8 6.0 792 614 A 39 VAL HG1% A 43 PHE HZ 1.0 1.8 5.0 793 615 A 39 VAL HG1% A 94 ILE HB 1.0 1.8 5.0 794 616 A 39 VAL HG1% A 94 ILE HG1x 1.0 1.8 6.0 795 616 A 94 ILE HG1y A 39 VAL HG1% 1.0 1.8 6.0 796 617 A 39 VAL HG1% A 94 ILE HG2% 1.0 1.8 5.0 797 618 A 39 VAL HG1% A 95 ALA HA 1.0 1.8 6.0 798 619 A 39 VAL HG1% A 96 GLU HBy 1.0 1.8 5.0 799 619 A 39 VAL HG1% A 96 GLU HBx 1.0 1.8 5.0 800 620 A 39 VAL HG1% A 96 GLU HGx 1.0 1.8 5.0 801 620 A 39 VAL HG1% A 96 GLU HGy 1.0 1.8 5.0 802 621 A 39 VAL HG1% A 96 GLU H 1.0 1.8 5.0 803 622 A 39 VAL HG2% A 40 ASN H 1.0 1.8 5.0 804 623 A 39 VAL HG2% A 43 PHE HE% 1.0 1.8 5.0 805 624 A 39 VAL HG2% A 43 PHE H 1.0 1.8 6.0 806 625 A 39 VAL HG2% A 43 PHE HZ 1.0 1.8 5.0 807 626 A 39 VAL HG2% A 45 ARG H 1.0 1.8 5.0 808 627 A 39 VAL HG2% A 94 ILE HB 1.0 1.8 5.0 809 628 A 39 VAL HG2% A 94 ILE HD1% 1.0 1.8 5.0 810 629 A 39 VAL HG2% A 94 ILE HG1x 1.0 1.8 5.0 811 629 A 94 ILE HG1y A 39 VAL HG2% 1.0 1.8 5.0 812 630 A 39 VAL HG2% A 94 ILE HG2% 1.0 1.8 5.0 813 631 A 39 VAL HG2% A 94 ILE H 1.0 1.8 5.0 814 632 A 39 VAL H A 39 VAL HG1% 1.0 1.8 5.0 815 633 A 39 VAL HG2% A 39 VAL H 1.0 1.8 3.5 816 634 A 39 VAL H A 42 ARG H 1.0 1.8 5.0 817 635 A 39 VAL H A 43 PHE H 1.0 1.8 5.0 818 636 A 44 VAL HA A 39 VAL H 1.0 1.8 5.0 819 637 A 39 VAL H A 44 VAL HG2% 1.0 1.8 5.0 820 638 A 45 ARG H A 39 VAL H 1.0 1.8 5.0 821 639 A 42 ARG H A 40 ASN HA 1.0 1.8 6.0 822 640 A 40 ASN HA A 95 ALA HA 1.0 1.8 5.0 823 641 A 40 ASN HD21 A 40 ASN HBx 1.0 1.8 3.5 824 641 A 40 ASN HBy A 40 ASN HD21 1.0 1.8 3.5 825 641 A 40 ASN HBy A 40 ASN HD22 1.0 1.8 3.5 826 641 A 40 ASN HD22 A 40 ASN HBx 1.0 1.8 3.5 827 642 A 40 ASN HBy A 42 ARG HBx 1.0 1.8 5.0 828 642 A 40 ASN HBx A 42 ARG HBx 1.0 1.8 5.0 829 642 A 42 ARG HBy A 40 ASN HBx 1.0 1.8 5.0 830 642 A 40 ASN HBy A 42 ARG HBy 1.0 1.8 5.0 831 643 A 42 ARG H A 40 ASN HBx 1.0 1.8 5.0 832 643 A 42 ARG H A 40 ASN HBy 1.0 1.8 5.0 833 644 A 41 LYS H A 40 ASN HBy 1.0 1.8 6.0 834 645 A 41 LYS H A 40 ASN HBx 1.0 1.8 6.0 835 646 A 40 ASN HD21 A 96 GLU HBx 1.0 1.8 5.0 836 646 A 40 ASN HD22 A 96 GLU HBx 1.0 1.8 5.0 837 646 A 40 ASN HD22 A 96 GLU HBy 1.0 1.8 5.0 838 646 A 40 ASN HD21 A 96 GLU HBy 1.0 1.8 5.0 839 647 A 40 ASN HD21 A 96 GLU H 1.0 1.8 3.5 840 647 A 40 ASN HD22 A 96 GLU H 1.0 1.8 3.5 841 648 A 40 ASN HD21 A 97 SER H 1.0 1.8 5.0 842 648 A 40 ASN HD22 A 97 SER H 1.0 1.8 5.0 843 649 A 40 ASN H A 41 LYS HGy 1.0 1.8 5.0 844 649 A 40 ASN H A 41 LYS HGx 1.0 1.8 5.0 845 650 A 41 LYS H A 40 ASN H 1.0 1.8 5.0 846 651 A 40 ASN H A 94 ILE HB 1.0 1.8 5.0 847 652 A 40 ASN H A 94 ILE HG2% 1.0 1.8 6.0 848 653 A 40 ASN H A 95 ALA HA 1.0 1.8 5.0 849 654 A 40 ASN H A 95 ALA HB% 1.0 1.8 5.0 850 655 A 40 ASN H A 96 GLU H 1.0 1.8 5.0 851 656 A 41 LYS HA A 41 LYS HDx 1.0 1.8 5.0 852 656 A 41 LYS HA A 41 LYS HDy 1.0 1.8 5.0 853 657 A 41 LYS HA A 41 LYS HGy 1.0 1.8 3.5 854 657 A 41 LYS HA A 41 LYS HGx 1.0 1.8 3.5 855 658 A 41 LYS HA A 64 ILE HD1% 1.0 1.8 6.0 856 659 A 41 LYS HA A 67 VAL HG1% 1.0 1.8 5.0 857 660 A 41 LYS HA A 67 VAL HG2% 1.0 1.8 5.0 858 661 A 41 LYS HBy A 41 LYS HDx 1.0 1.8 3.5 859 661 A 41 LYS HBx A 41 LYS HDx 1.0 1.8 3.5 860 661 A 41 LYS HDy A 41 LYS HBx 1.0 1.8 3.5 861 661 A 41 LYS HDy A 41 LYS HBy 1.0 1.8 3.5 862 662 A 41 LYS HBy A 41 LYS HEx 1.0 1.8 5.0 863 662 A 41 LYS HEy A 41 LYS HBx 1.0 1.8 5.0 864 662 A 41 LYS HBy A 41 LYS HEy 1.0 1.8 5.0 865 662 A 41 LYS HBx A 41 LYS HEx 1.0 1.8 5.0 866 663 A 67 VAL HG1% A 41 LYS HBx 1.0 1.8 6.0 867 663 A 67 VAL HG1% A 41 LYS HBy 1.0 1.8 6.0 868 664 A 67 VAL HG2% A 41 LYS HBx 1.0 1.8 3.5 869 664 A 67 VAL HG2% A 41 LYS HBy 1.0 1.8 3.5 870 665 A 67 VAL HG2% A 41 LYS HDx 1.0 1.8 5.0 871 665 A 67 VAL HG2% A 41 LYS HDy 1.0 1.8 5.0 872 666 A 67 VAL HG2% A 41 LYS HEx 1.0 1.8 5.0 873 666 A 67 VAL HG2% A 41 LYS HEy 1.0 1.8 5.0 874 667 A 42 ARG H A 41 LYS HGy 1.0 1.8 5.0 875 667 A 42 ARG H A 41 LYS HGx 1.0 1.8 5.0 876 668 A 41 LYS HEx A 41 LYS HGy 1.0 1.8 5.0 877 668 A 41 LYS HEy A 41 LYS HGy 1.0 1.8 5.0 878 669 A 41 LYS HGx A 41 LYS HEx 1.0 1.8 5.0 879 669 A 41 LYS HGx A 41 LYS HEy 1.0 1.8 5.0 880 670 A 41 LYS H A 41 LYS HDx 1.0 1.8 6.0 881 670 A 41 LYS H A 41 LYS HDy 1.0 1.8 6.0 882 671 A 41 LYS H A 41 LYS HGy 1.0 1.8 3.5 883 671 A 41 LYS H A 41 LYS HGx 1.0 1.8 3.5 884 672 A 41 LYS H A 42 ARG HBx 1.0 1.8 6.0 885 672 A 41 LYS H A 42 ARG HBy 1.0 1.8 6.0 886 673 A 41 LYS H A 42 ARG H 1.0 1.8 5.0 887 674 A 43 PHE H A 41 LYS H 1.0 1.8 5.0 888 675 A 41 LYS H A 67 VAL HG2% 1.0 1.8 5.0 889 676 A 42 ARG HA A 42 ARG HDx 1.0 1.8 5.0 890 676 A 42 ARG HA A 42 ARG HDy 1.0 1.8 5.0 891 677 A 64 ILE HD1% A 42 ARG HA 1.0 1.8 6.0 892 678 A 42 ARG HBx A 42 ARG HDx 1.0 1.8 3.5 893 678 A 42 ARG HDy A 42 ARG HBx 1.0 1.8 3.5 894 678 A 42 ARG HBy A 42 ARG HDy 1.0 1.8 3.5 895 678 A 42 ARG HBy A 42 ARG HDx 1.0 1.8 3.5 896 679 A 42 ARG HE A 42 ARG HBx 1.0 1.8 5.0 897 679 A 42 ARG HBy A 42 ARG HE 1.0 1.8 5.0 898 680 A 43 PHE HD% A 42 ARG HBx 1.0 1.8 5.0 899 680 A 42 ARG HBy A 43 PHE HD% 1.0 1.8 5.0 900 681 A 43 PHE H A 42 ARG HBy 1.0 1.8 5.0 901 682 A 43 PHE H A 42 ARG HBx 1.0 1.8 5.0 902 683 A 43 PHE HD% A 42 ARG HDx 1.0 1.8 5.0 903 683 A 43 PHE HD% A 42 ARG HDy 1.0 1.8 5.0 904 684 A 43 PHE HD% A 42 ARG HGx 1.0 1.8 5.0 905 684 A 43 PHE HD% A 42 ARG HGy 1.0 1.8 5.0 906 685 A 42 ARG H A 42 ARG HBx 1.0 1.8 3.5 907 685 A 42 ARG H A 42 ARG HBy 1.0 1.8 3.5 908 686 A 42 ARG H A 43 PHE HD% 1.0 1.8 6.0 909 687 A 43 PHE H A 42 ARG H 1.0 1.8 3.5 910 688 A 43 PHE HD% A 43 PHE HA 1.0 1.8 5.0 911 689 A 44 VAL HG2% A 43 PHE HA 1.0 1.8 5.0 912 690 A 43 PHE HA A 44 VAL H 1.0 1.8 3.5 913 691 A 43 PHE HA A 62 PHE H 1.0 1.8 6.0 914 692 A 64 ILE HD1% A 43 PHE HA 1.0 1.8 6.0 915 693 A 43 PHE HA A 64 ILE HG1x 1.0 1.8 6.0 916 693 A 43 PHE HA A 64 ILE HG1y 1.0 1.8 6.0 917 694 A 43 PHE HA A 64 ILE HG2% 1.0 1.8 6.0 918 695 A 43 PHE HA A 64 ILE H 1.0 1.8 5.0 919 696 A 61 TRP HE3 A 43 PHE HBy 1.0 1.8 5.0 920 696 A 43 PHE HBx A 61 TRP HE3 1.0 1.8 5.0 921 697 A 64 ILE H A 43 PHE HBy 1.0 1.8 5.0 922 697 A 64 ILE H A 43 PHE HBx 1.0 1.8 5.0 923 698 A 44 VAL H A 43 PHE HBy 1.0 1.8 5.0 924 699 A 63 ASN HA A 43 PHE HBy 1.0 1.8 5.0 925 700 A 44 VAL H A 43 PHE HBx 1.0 1.8 5.0 926 701 A 43 PHE HBx A 63 ASN HA 1.0 1.8 5.0 927 702 A 43 PHE HD% A 44 VAL H 1.0 1.8 5.0 928 703 A 45 ARG H A 43 PHE HD% 1.0 1.8 5.0 929 704 A 43 PHE HD% A 61 TRP HBx 1.0 1.8 5.0 930 704 A 43 PHE HD% A 61 TRP HBy 1.0 1.8 5.0 931 705 A 43 PHE H A 43 PHE HD% 1.0 1.8 5.0 932 706 A 43 PHE H A 44 VAL HG2% 1.0 1.8 5.0 933 707 A 43 PHE H A 44 VAL H 1.0 1.8 5.0 934 708 A 44 VAL HG1% A 44 VAL HA 1.0 1.8 3.5 935 709 A 45 ARG H A 44 VAL HA 1.0 1.8 3.5 936 710 A 45 ARG H A 44 VAL HB 1.0 1.8 5.0 937 711 A 44 VAL HB A 62 PHE HBx 1.0 1.8 6.0 938 711 A 62 PHE HBy A 44 VAL HB 1.0 1.8 6.0 939 712 A 62 PHE HD% A 44 VAL HB 1.0 1.8 5.0 940 713 A 62 PHE HE% A 44 VAL HB 1.0 1.8 5.0 941 714 A 62 PHE H A 44 VAL HB 1.0 1.8 5.0 942 715 A 64 ILE HG2% A 44 VAL HB 1.0 1.8 5.0 943 716 A 70 PHE HD% A 44 VAL HB 1.0 1.8 6.0 944 717 A 70 PHE HE% A 44 VAL HB 1.0 1.8 6.0 945 718 A 44 VAL HG1% A 45 ARG HBx 1.0 1.8 5.0 946 718 A 44 VAL HG1% A 45 ARG HBy 1.0 1.8 5.0 947 719 A 44 VAL HG1% A 45 ARG H 1.0 1.8 3.5 948 720 A 46 VAL HG2% A 44 VAL HG1% 1.0 1.8 5.0 949 721 A 62 PHE HD% A 44 VAL HG1% 1.0 1.8 5.0 950 722 A 62 PHE HE% A 44 VAL HG1% 1.0 1.8 5.0 951 723 A 44 VAL HG1% A 62 PHE H 1.0 1.8 5.0 952 724 A 62 PHE HZ A 44 VAL HG1% 1.0 1.8 5.0 953 725 A 45 ARG H A 44 VAL HG2% 1.0 1.8 5.0 954 726 A 44 VAL HG2% A 62 PHE HBx 1.0 1.8 6.0 955 726 A 62 PHE HBy A 44 VAL HG2% 1.0 1.8 6.0 956 727 A 62 PHE HD% A 44 VAL HG2% 1.0 1.8 5.0 957 728 A 62 PHE HE% A 44 VAL HG2% 1.0 1.8 5.0 958 729 A 44 VAL HG2% A 62 PHE H 1.0 1.8 5.0 959 730 A 44 VAL HG2% A 64 ILE HD1% 1.0 1.8 5.0 960 731 A 44 VAL HG2% A 64 ILE HG1x 1.0 1.8 5.0 961 731 A 44 VAL HG2% A 64 ILE HG1y 1.0 1.8 5.0 962 732 A 44 VAL HG2% A 64 ILE HG2% 1.0 1.8 5.0 963 733 A 44 VAL H A 44 VAL HB 1.0 1.8 3.5 964 734 A 44 VAL HG1% A 44 VAL H 1.0 1.8 5.0 965 735 A 44 VAL HG2% A 44 VAL H 1.0 1.8 3.5 966 736 A 45 ARG H A 44 VAL H 1.0 1.8 5.0 967 737 A 44 VAL H A 61 TRP HE3 1.0 1.8 5.0 968 738 A 62 PHE HD% A 44 VAL H 1.0 1.8 5.0 969 739 A 44 VAL H A 62 PHE H 1.0 1.8 5.0 970 740 A 44 VAL H A 63 ASN HA 1.0 1.8 5.0 971 741 A 64 ILE HD1% A 44 VAL H 1.0 1.8 6.0 972 742 A 44 VAL H A 64 ILE H 1.0 1.8 6.0 973 743 A 46 VAL HG2% A 45 ARG HA 1.0 1.8 5.0 974 744 A 45 ARG HA A 61 TRP HA 1.0 1.8 5.0 975 745 A 45 ARG HA A 61 TRP HBx 1.0 1.8 5.0 976 745 A 61 TRP HBy A 45 ARG HA 1.0 1.8 5.0 977 746 A 62 PHE H A 45 ARG HA 1.0 1.8 5.0 978 747 A 45 ARG HE A 45 ARG HBx 1.0 1.8 5.0 979 747 A 45 ARG HBy A 45 ARG HE 1.0 1.8 5.0 980 748 A 46 VAL HA A 45 ARG HBx 1.0 1.8 6.0 981 748 A 46 VAL HA A 45 ARG HBy 1.0 1.8 6.0 982 749 A 59 TYR HD% A 45 ARG HGx 1.0 1.8 5.0 983 749 A 59 TYR HD% A 45 ARG HGy 1.0 1.8 5.0 984 750 A 45 ARG HGy A 61 TRP HBx 1.0 1.8 5.0 985 750 A 45 ARG HGx A 61 TRP HBx 1.0 1.8 5.0 986 750 A 61 TRP HBy A 45 ARG HGx 1.0 1.8 5.0 987 750 A 61 TRP HBy A 45 ARG HGy 1.0 1.8 5.0 988 751 A 45 ARG HGy A 46 VAL H 1.0 1.8 6.0 989 752 A 46 VAL H A 45 ARG HGx 1.0 1.8 6.0 990 753 A 45 ARG H A 45 ARG HGy 1.0 1.8 6.0 991 754 A 45 ARG H A 45 ARG HGx 1.0 1.8 6.0 992 755 A 46 VAL HG2% A 46 VAL HA 1.0 1.8 3.5 993 756 A 47 THR H A 46 VAL HA 1.0 1.8 3.5 994 757 A 46 VAL HB A 47 THR H 1.0 1.8 5.0 995 758 A 46 VAL HB A 48 PHE HE% 1.0 1.8 6.0 996 759 A 46 VAL HB A 60 VAL HG2% 1.0 1.8 3.5 997 760 A 46 VAL HB A 60 VAL H 1.0 1.8 5.0 998 761 A 46 VAL HG1% A 47 THR H 1.0 1.8 3.5 999 762 A 46 VAL HG1% A 48 PHE HD% 1.0 1.8 5.0 1000 763 A 46 VAL HG1% A 60 VAL HG2% 1.0 1.8 3.5 1001 764 A 46 VAL HG2% A 47 THR H 1.0 1.8 5.0 1002 765 A 46 VAL HG2% A 61 TRP HA 1.0 1.8 5.0 1003 766 A 61 TRP H A 46 VAL HG2% 1.0 1.8 5.0 1004 767 A 62 PHE HD% A 46 VAL HG2% 1.0 1.8 5.0 1005 768 A 62 PHE HE% A 46 VAL HG2% 1.0 1.8 3.5 1006 769 A 46 VAL HG2% A 62 PHE H 1.0 1.8 5.0 1007 770 A 62 PHE HZ A 46 VAL HG2% 1.0 1.8 5.0 1008 771 A 46 VAL HG1% A 46 VAL H 1.0 1.8 5.0 1009 772 A 46 VAL HG2% A 46 VAL H 1.0 1.8 3.5 1010 773 A 47 THR H A 46 VAL H 1.0 1.8 6.0 1011 774 A 59 TYR HD% A 46 VAL H 1.0 1.8 6.0 1012 775 A 46 VAL H A 60 VAL HG2% 1.0 1.8 5.0 1013 776 A 46 VAL H A 60 VAL H 1.0 1.8 6.0 1014 777 A 61 TRP HA A 46 VAL H 1.0 1.8 5.0 1015 778 A 47 THR HG2% A 47 THR HA 1.0 1.8 3.5 1016 779 A 47 THR HA A 48 PHE H 1.0 1.8 3.5 1017 780 A 47 THR HB A 48 PHE H 1.0 1.8 5.0 1018 781 A 47 THR HG2% A 48 PHE H 1.0 1.8 5.0 1019 782 A 47 THR H A 47 THR HG2% 1.0 1.8 5.0 1020 783 A 47 THR H A 48 PHE H 1.0 1.8 5.0 1021 784 A 48 PHE HD% A 48 PHE HA 1.0 1.8 5.0 1022 785 A 49 THR H A 48 PHE HA 1.0 1.8 3.5 1023 786 A 48 PHE HBx A 52 LYS HBy 1.0 1.8 5.0 1024 786 A 48 PHE HBy A 52 LYS HBy 1.0 1.8 5.0 1025 786 A 52 LYS HBx A 48 PHE HBy 1.0 1.8 5.0 1026 786 A 52 LYS HBx A 48 PHE HBx 1.0 1.8 5.0 1027 787 A 53 THR HA A 48 PHE HBy 1.0 1.8 6.0 1028 787 A 48 PHE HBx A 53 THR HA 1.0 1.8 6.0 1029 788 A 53 THR H A 48 PHE HBy 1.0 1.8 5.0 1030 788 A 48 PHE HBx A 53 THR H 1.0 1.8 5.0 1031 789 A 49 THR H A 48 PHE HBy 1.0 1.8 5.0 1032 790 A 53 THR HG2% A 48 PHE HBy 1.0 1.8 5.0 1033 791 A 49 THR H A 48 PHE HBx 1.0 1.8 5.0 1034 792 A 48 PHE HBx A 53 THR HG2% 1.0 1.8 5.0 1035 793 A 49 THR H A 48 PHE HD% 1.0 1.8 6.0 1036 794 A 48 PHE HD% A 53 THR HG2% 1.0 1.8 5.0 1037 795 A 48 PHE HE% A 53 THR HG2% 1.0 1.8 5.0 1038 796 A 60 VAL HG1% A 48 PHE HE% 1.0 1.8 5.0 1039 797 A 48 PHE HE% A 60 VAL HG2% 1.0 1.8 5.0 1040 798 A 48 PHE H A 48 PHE HBy 1.0 1.8 3.5 1041 798 A 48 PHE HBx A 48 PHE H 1.0 1.8 3.5 1042 799 A 48 PHE HD% A 48 PHE H 1.0 1.8 5.0 1043 800 A 60 VAL HG1% A 48 PHE HZ 1.0 1.8 5.0 1044 801 A 48 PHE HZ A 60 VAL HG2% 1.0 1.8 5.0 1045 802 A 49 THR HG2% A 49 THR HA 1.0 1.8 3.5 1046 803 A 49 THR HA A 50 PRO HDx 1.0 1.8 3.5 1047 803 A 49 THR HA A 50 PRO HDy 1.0 1.8 3.5 1048 804 A 49 THR HA A 50 PRO HGx 1.0 1.8 5.0 1049 804 A 49 THR HA A 50 PRO HGy 1.0 1.8 5.0 1050 805 A 49 THR HB A 50 PRO HDx 1.0 1.8 3.5 1051 805 A 50 PRO HDy A 49 THR HB 1.0 1.8 3.5 1052 806 A 49 THR HB A 52 LYS HBy 1.0 1.8 5.0 1053 806 A 52 LYS HBx A 49 THR HB 1.0 1.8 5.0 1054 807 A 49 THR HG2% A 50 PRO HDx 1.0 1.8 3.5 1055 807 A 49 THR HG2% A 50 PRO HDy 1.0 1.8 3.5 1056 808 A 49 THR HG2% A 49 THR H 1.0 1.8 3.5 1057 809 A 49 THR H A 52 LYS HBy 1.0 1.8 5.0 1058 809 A 49 THR H A 52 LYS HBx 1.0 1.8 5.0 1059 810 A 50 PRO HA A 52 LYS H 1.0 1.8 5.0 1060 811 A 51 GLY H A 52 LYS HBy 1.0 1.8 6.0 1061 811 A 52 LYS HBx A 51 GLY H 1.0 1.8 6.0 1062 812 A 52 LYS H A 51 GLY H 1.0 1.8 5.0 1063 813 A 52 LYS HBx A 52 LYS HDx 1.0 1.8 3.5 1064 813 A 52 LYS HBy A 52 LYS HDx 1.0 1.8 3.5 1065 813 A 52 LYS HDy A 52 LYS HBy 1.0 1.8 3.5 1066 813 A 52 LYS HBx A 52 LYS HDy 1.0 1.8 3.5 1067 814 A 53 THR H A 52 LYS HBy 1.0 1.8 5.0 1068 815 A 52 LYS HBx A 53 THR H 1.0 1.8 5.0 1069 816 A 53 THR H A 52 LYS HGy 1.0 1.8 5.0 1070 816 A 52 LYS HGx A 53 THR H 1.0 1.8 5.0 1071 817 A 52 LYS HEy A 52 LYS HGy 1.0 1.8 5.0 1072 817 A 52 LYS HEx A 52 LYS HGy 1.0 1.8 5.0 1073 818 A 52 LYS HEy A 52 LYS HGx 1.0 1.8 5.0 1074 818 A 52 LYS HGx A 52 LYS HEx 1.0 1.8 5.0 1075 819 A 52 LYS H A 52 LYS HBy 1.0 1.8 3.5 1076 819 A 52 LYS HBx A 52 LYS H 1.0 1.8 3.5 1077 820 A 52 LYS H A 52 LYS HDx 1.0 1.8 5.0 1078 820 A 52 LYS HDy A 52 LYS H 1.0 1.8 5.0 1079 821 A 52 LYS H A 52 LYS HGy 1.0 1.8 3.5 1080 821 A 52 LYS HGx A 52 LYS H 1.0 1.8 3.5 1081 822 A 53 THR H A 52 LYS H 1.0 1.8 3.5 1082 823 A 53 THR HA A 54 PRO HDx 1.0 1.8 3.5 1083 823 A 53 THR HA A 54 PRO HDy 1.0 1.8 3.5 1084 824 A 53 THR HB A 54 PRO HDx 1.0 1.8 5.0 1085 824 A 54 PRO HDy A 53 THR HB 1.0 1.8 5.0 1086 825 A 53 THR HG2% A 54 PRO HDx 1.0 1.8 5.0 1087 825 A 53 THR HG2% A 54 PRO HDy 1.0 1.8 5.0 1088 826 A 53 THR HG2% A 54 PRO HGx 1.0 1.8 6.0 1089 826 A 53 THR HG2% A 54 PRO HGy 1.0 1.8 6.0 1090 827 A 53 THR HG2% A 57 GLY HAx 1.0 1.8 5.0 1091 827 A 53 THR HG2% A 57 GLY HAy 1.0 1.8 5.0 1092 828 A 53 THR HG2% A 57 GLY H 1.0 1.8 6.0 1093 829 A 53 THR H A 53 THR HG2% 1.0 1.8 5.0 1094 830 A 54 PRO HA A 55 VAL HG1% 1.0 1.8 6.0 1095 831 A 54 PRO HA A 55 VAL HG2% 1.0 1.8 6.0 1096 832 A 54 PRO HA A 55 VAL H 1.0 1.8 3.5 1097 833 A 54 PRO HA A 56 ASP H 1.0 1.8 5.0 1098 834 A 56 ASP H A 54 PRO HBy 1.0 1.8 5.0 1099 834 A 56 ASP H A 54 PRO HBx 1.0 1.8 5.0 1100 835 A 57 GLY H A 54 PRO HBy 1.0 1.8 5.0 1101 835 A 57 GLY H A 54 PRO HBx 1.0 1.8 5.0 1102 836 A 55 VAL H A 54 PRO HBy 1.0 1.8 5.0 1103 837 A 55 VAL H A 54 PRO HBx 1.0 1.8 5.0 1104 838 A 55 VAL H A 54 PRO HDx 1.0 1.8 5.0 1105 838 A 54 PRO HDy A 55 VAL H 1.0 1.8 5.0 1106 839 A 56 ASP H A 54 PRO HGx 1.0 1.8 6.0 1107 839 A 54 PRO HGy A 56 ASP H 1.0 1.8 6.0 1108 840 A 57 GLY H A 54 PRO HGx 1.0 1.8 5.0 1109 840 A 54 PRO HGy A 57 GLY H 1.0 1.8 5.0 1110 841 A 55 VAL HA A 55 VAL HG2% 1.0 1.8 3.5 1111 841 A 55 VAL HA A 55 VAL HG1% 1.0 1.8 3.5 1112 842 A 55 VAL HA A 55 VAL HG1% 1.0 1.8 3.5 1113 843 A 55 VAL HA A 55 VAL HG2% 1.0 1.8 3.5 1114 844 A 56 ASP H A 55 VAL HB 1.0 1.8 5.0 1115 845 A 56 ASP HA A 55 VAL HG2% 1.0 1.8 5.0 1116 845 A 55 VAL HG1% A 56 ASP HA 1.0 1.8 5.0 1117 846 A 56 ASP H A 55 VAL HG2% 1.0 1.8 5.0 1118 846 A 56 ASP H A 55 VAL HG1% 1.0 1.8 5.0 1119 847 A 55 VAL HG1% A 56 ASP HA 1.0 1.8 6.0 1120 848 A 56 ASP H A 55 VAL HG1% 1.0 1.8 5.0 1121 849 A 57 GLY H A 55 VAL HG1% 1.0 1.8 6.0 1122 850 A 56 ASP HA A 55 VAL HG2% 1.0 1.8 6.0 1123 851 A 56 ASP H A 55 VAL HG2% 1.0 1.8 5.0 1124 852 A 57 GLY H A 55 VAL HG2% 1.0 1.8 6.0 1125 853 A 55 VAL H A 55 VAL HB 1.0 1.8 3.5 1126 854 A 55 VAL H A 55 VAL HG1% 1.0 1.8 5.0 1127 855 A 55 VAL H A 55 VAL HG2% 1.0 1.8 5.0 1128 856 A 57 GLY H A 56 ASP HBy 1.0 1.8 5.0 1129 857 A 57 GLY H A 56 ASP HBx 1.0 1.8 5.0 1130 858 A 59 TYR H A 58 GLN HGx 1.0 1.8 6.0 1131 858 A 59 TYR H A 58 GLN HGy 1.0 1.8 6.0 1132 859 A 58 GLN H A 58 GLN HGx 1.0 1.8 5.0 1133 859 A 58 GLN HGy A 58 GLN H 1.0 1.8 5.0 1134 860 A 59 TYR HD% A 59 TYR HA 1.0 1.8 5.0 1135 861 A 60 VAL HG2% A 59 TYR HA 1.0 1.8 5.0 1136 862 A 60 VAL H A 59 TYR HA 1.0 1.8 3.5 1137 863 A 59 TYR HD% A 60 VAL HA 1.0 1.8 6.0 1138 864 A 59 TYR HD% A 60 VAL H 1.0 1.8 5.0 1139 865 A 59 TYR HD% A 59 TYR H 1.0 1.8 5.0 1140 866 A 60 VAL HA A 60 VAL HG1% 1.0 1.8 3.5 1141 867 A 61 TRP HD1 A 60 VAL HA 1.0 1.8 5.0 1142 868 A 60 VAL HA A 61 TRP H 1.0 1.8 3.5 1143 869 A 61 TRP H A 60 VAL HB 1.0 1.8 3.5 1144 870 A 60 VAL HG1% A 61 TRP H 1.0 1.8 5.0 1145 871 A 61 TRP H A 60 VAL HG2% 1.0 1.8 5.0 1146 872 A 60 VAL HG1% A 60 VAL H 1.0 1.8 5.0 1147 873 A 60 VAL HG2% A 60 VAL H 1.0 1.8 5.0 1148 874 A 62 PHE HD% A 61 TRP HA 1.0 1.8 5.0 1149 875 A 62 PHE H A 61 TRP HA 1.0 1.8 3.5 1150 876 A 62 PHE HA A 61 TRP HE3 1.0 1.8 5.0 1151 877 A 62 PHE H A 61 TRP HE3 1.0 1.8 5.0 1152 878 A 61 TRP HE3 A 63 ASN H 1.0 1.8 5.0 1153 879 A 61 TRP HD1 A 61 TRP H 1.0 1.8 5.0 1154 880 A 61 TRP H A 61 TRP HE3 1.0 1.8 6.0 1155 881 A 63 ASN HA A 61 TRP HZ3 1.0 1.8 5.0 1156 882 A 62 PHE HA A 62 PHE HD% 1.0 1.8 5.0 1157 883 A 62 PHE HA A 63 ASN H 1.0 1.8 3.5 1158 884 A 64 ILE H A 62 PHE HBx 1.0 1.8 6.0 1159 884 A 62 PHE HBy A 64 ILE H 1.0 1.8 6.0 1160 885 A 62 PHE HD% A 63 ASN H 1.0 1.8 5.0 1161 886 A 62 PHE HD% A 64 ILE HG2% 1.0 1.8 5.0 1162 887 A 62 PHE HD% A 70 PHE HD% 1.0 1.8 5.0 1163 888 A 62 PHE HE% A 64 ILE HG2% 1.0 1.8 5.0 1164 889 A 62 PHE HE% A 70 PHE HD% 1.0 1.8 5.0 1165 890 A 62 PHE HE% A 70 PHE HE% 1.0 1.8 5.0 1166 891 A 62 PHE HD% A 62 PHE H 1.0 1.8 5.0 1167 892 A 62 PHE H A 63 ASN H 1.0 1.8 5.0 1168 893 A 62 PHE HZ A 70 PHE HE% 1.0 1.8 5.0 1169 894 A 64 ILE HG2% A 63 ASN HA 1.0 1.8 6.0 1170 895 A 64 ILE H A 63 ASN HA 1.0 1.8 3.5 1171 896 A 63 ASN H A 63 ASN HBx 1.0 1.8 3.5 1172 896 A 63 ASN H A 63 ASN HBy 1.0 1.8 3.5 1173 897 A 63 ASN H A 63 ASN HD21 1.0 1.8 5.0 1174 897 A 63 ASN H A 63 ASN HD22 1.0 1.8 5.0 1175 898 A 63 ASN H A 63 ASN HD21 1.0 1.8 5.0 1176 899 A 63 ASN H A 63 ASN HD22 1.0 1.8 5.0 1177 900 A 64 ILE H A 63 ASN H 1.0 1.8 6.0 1178 901 A 64 ILE HD1% A 64 ILE HA 1.0 1.8 5.0 1179 902 A 64 ILE HG2% A 64 ILE HA 1.0 1.8 3.5 1180 903 A 64 ILE HB A 65 GLY H 1.0 1.8 5.0 1181 904 A 64 ILE HB A 66 SER H 1.0 1.8 5.0 1182 905 A 64 ILE HB A 70 PHE H 1.0 1.8 5.0 1183 906 A 64 ILE HD1% A 66 SER HA 1.0 1.8 6.0 1184 907 A 64 ILE HD1% A 66 SER H 1.0 1.8 5.0 1185 908 A 64 ILE HD1% A 67 VAL HA 1.0 1.8 3.5 1186 909 A 64 ILE HD1% A 67 VAL HG1% 1.0 1.8 6.0 1187 910 A 64 ILE HD1% A 67 VAL HG2% 1.0 1.8 6.0 1188 911 A 64 ILE HD1% A 70 PHE HBy 1.0 1.8 5.0 1189 912 A 64 ILE HD1% A 70 PHE HBx 1.0 1.8 5.0 1190 913 A 64 ILE HD1% A 70 PHE HD% 1.0 1.8 5.0 1191 914 A 64 ILE HD1% A 70 PHE H 1.0 1.8 5.0 1192 915 A 64 ILE HG1y A 65 GLY HAx 1.0 1.8 6.0 1193 915 A 65 GLY HAy A 64 ILE HG1x 1.0 1.8 6.0 1194 915 A 64 ILE HG1y A 65 GLY HAy 1.0 1.8 6.0 1195 915 A 64 ILE HG1x A 65 GLY HAx 1.0 1.8 6.0 1196 916 A 64 ILE HD1% A 64 ILE HG2% 1.0 1.8 3.5 1197 917 A 64 ILE HG1y A 64 ILE HG2% 1.0 1.8 5.0 1198 918 A 64 ILE HG2% A 64 ILE HG1x 1.0 1.8 5.0 1199 919 A 64 ILE HG2% A 66 SER H 1.0 1.8 6.0 1200 920 A 64 ILE HG2% A 70 PHE HBy 1.0 1.8 5.0 1201 921 A 64 ILE HG2% A 70 PHE HBx 1.0 1.8 5.0 1202 922 A 70 PHE HD% A 64 ILE HG2% 1.0 1.8 5.0 1203 923 A 64 ILE HG2% A 70 PHE H 1.0 1.8 6.0 1204 924 A 64 ILE HD1% A 64 ILE H 1.0 1.8 5.0 1205 925 A 64 ILE HG1y A 64 ILE H 1.0 1.8 5.0 1206 926 A 64 ILE H A 64 ILE HG1x 1.0 1.8 5.0 1207 927 A 65 GLY H A 66 SER H 1.0 1.8 6.0 1208 928 A 66 SER HA A 67 VAL H 1.0 1.8 3.5 1209 929 A 68 ASP H A 66 SER HBx 1.0 1.8 5.0 1210 929 A 66 SER HBy A 68 ASP H 1.0 1.8 5.0 1211 930 A 69 THR HB A 66 SER HBx 1.0 1.8 3.5 1212 930 A 66 SER HBy A 69 THR HB 1.0 1.8 3.5 1213 931 A 69 THR HG2% A 66 SER HBx 1.0 1.8 5.0 1214 931 A 66 SER HBy A 69 THR HG2% 1.0 1.8 5.0 1215 932 A 69 THR H A 66 SER HBx 1.0 1.8 5.0 1216 932 A 66 SER HBy A 69 THR H 1.0 1.8 5.0 1217 933 A 66 SER H A 69 THR HG2% 1.0 1.8 6.0 1218 934 A 67 VAL HG1% A 67 VAL HA 1.0 1.8 3.5 1219 935 A 67 VAL HG2% A 67 VAL HA 1.0 1.8 3.5 1220 936 A 67 VAL HA A 70 PHE HBy 1.0 1.8 5.0 1221 937 A 67 VAL HA A 70 PHE HBx 1.0 1.8 5.0 1222 938 A 70 PHE HD% A 67 VAL HA 1.0 1.8 5.0 1223 939 A 70 PHE H A 67 VAL HA 1.0 1.8 5.0 1224 940 A 67 VAL HA A 71 GLU H 1.0 1.8 5.0 1225 941 A 68 ASP H A 67 VAL HB 1.0 1.8 3.5 1226 942 A 93 TYR HE% A 67 VAL HB 1.0 1.8 6.0 1227 943 A 67 VAL HG1% A 68 ASP HA 1.0 1.8 5.0 1228 944 A 67 VAL HG1% A 68 ASP H 1.0 1.8 5.0 1229 945 A 67 VAL HG1% A 70 PHE HD% 1.0 1.8 5.0 1230 946 A 67 VAL HG1% A 70 PHE H 1.0 1.8 5.0 1231 947 A 67 VAL HG1% A 71 GLU HBx 1.0 1.8 6.0 1232 947 A 67 VAL HG1% A 71 GLU HBy 1.0 1.8 6.0 1233 948 A 67 VAL HG1% A 71 GLU HGx 1.0 1.8 5.0 1234 948 A 67 VAL HG1% A 71 GLU HGy 1.0 1.8 5.0 1235 949 A 67 VAL HG1% A 71 GLU H 1.0 1.8 5.0 1236 950 A 93 TYR HD% A 67 VAL HG1% 1.0 1.8 5.0 1237 951 A 93 TYR HE% A 67 VAL HG1% 1.0 1.8 3.5 1238 952 A 67 VAL HG2% A 68 ASP H 1.0 1.8 5.0 1239 953 A 67 VAL HG2% A 70 PHE HD% 1.0 1.8 6.0 1240 954 A 67 VAL HG2% A 71 GLU HGx 1.0 1.8 6.0 1241 954 A 67 VAL HG2% A 71 GLU HGy 1.0 1.8 6.0 1242 955 A 93 TYR HD% A 67 VAL HG2% 1.0 1.8 5.0 1243 956 A 93 TYR HE% A 67 VAL HG2% 1.0 1.8 5.0 1244 957 A 67 VAL HG2% A 67 VAL H 1.0 1.8 5.0 1245 958 A 67 VAL H A 68 ASP H 1.0 1.8 5.0 1246 959 A 68 ASP HA A 71 GLU HBx 1.0 1.8 5.0 1247 959 A 68 ASP HA A 71 GLU HBy 1.0 1.8 5.0 1248 960 A 71 GLU H A 68 ASP HA 1.0 1.8 5.0 1249 961 A 68 ASP HA A 72 ARG H 1.0 1.8 5.0 1250 962 A 69 THR H A 68 ASP HBy 1.0 1.8 5.0 1251 963 A 69 THR H A 68 ASP HBx 1.0 1.8 5.0 1252 964 A 68 ASP H A 68 ASP HBy 1.0 1.8 3.5 1253 964 A 68 ASP H A 68 ASP HBx 1.0 1.8 3.5 1254 965 A 68 ASP H A 69 THR H 1.0 1.8 3.5 1255 966 A 70 PHE H A 68 ASP H 1.0 1.8 5.0 1256 967 A 69 THR HG2% A 69 THR HA 1.0 1.8 3.5 1257 968 A 71 GLU H A 69 THR HA 1.0 1.8 6.0 1258 969 A 69 THR HA A 72 ARG HBx 1.0 1.8 5.0 1259 969 A 69 THR HA A 72 ARG HBy 1.0 1.8 5.0 1260 970 A 69 THR HA A 72 ARG HDx 1.0 1.8 5.0 1261 970 A 69 THR HA A 72 ARG HDy 1.0 1.8 5.0 1262 971 A 69 THR HA A 72 ARG HGx 1.0 1.8 6.0 1263 971 A 69 THR HA A 72 ARG HGy 1.0 1.8 6.0 1264 972 A 72 ARG H A 69 THR HA 1.0 1.8 5.0 1265 973 A 69 THR HA A 73 ASN HBx 1.0 1.8 6.0 1266 973 A 73 ASN HBy A 69 THR HA 1.0 1.8 6.0 1267 974 A 69 THR HA A 73 ASN H 1.0 1.8 5.0 1268 975 A 70 PHE H A 69 THR HB 1.0 1.8 3.5 1269 976 A 70 PHE H A 69 THR HG2% 1.0 1.8 5.0 1270 977 A 69 THR HG2% A 72 ARG HGx 1.0 1.8 6.0 1271 977 A 69 THR HG2% A 72 ARG HGy 1.0 1.8 6.0 1272 978 A 69 THR HG2% A 73 ASN HD21 1.0 1.8 3.5 1273 978 A 69 THR HG2% A 73 ASN HD22 1.0 1.8 3.5 1274 979 A 69 THR HG2% A 73 ASN HD21 1.0 1.8 5.0 1275 980 A 69 THR HG2% A 73 ASN HD22 1.0 1.8 5.0 1276 981 A 69 THR HG2% A 73 ASN H 1.0 1.8 5.0 1277 982 A 69 THR HB A 69 THR H 1.0 1.8 3.5 1278 983 A 69 THR HG2% A 69 THR H 1.0 1.8 5.0 1279 984 A 69 THR H A 71 GLU H 1.0 1.8 5.0 1280 985 A 70 PHE HD% A 70 PHE HA 1.0 1.8 3.5 1281 986 A 70 PHE HA A 71 GLU HA 1.0 1.8 5.0 1282 987 A 70 PHE HA A 73 ASN HBx 1.0 1.8 5.0 1283 987 A 73 ASN HBy A 70 PHE HA 1.0 1.8 5.0 1284 988 A 73 ASN HD21 A 70 PHE HA 1.0 1.8 5.0 1285 988 A 73 ASN HD22 A 70 PHE HA 1.0 1.8 5.0 1286 989 A 73 ASN HD21 A 70 PHE HA 1.0 1.8 6.0 1287 990 A 73 ASN HD22 A 70 PHE HA 1.0 1.8 6.0 1288 991 A 73 ASN H A 70 PHE HA 1.0 1.8 5.0 1289 992 A 70 PHE HBy A 71 GLU H 1.0 1.8 5.0 1290 993 A 70 PHE HBx A 71 GLU H 1.0 1.8 5.0 1291 994 A 70 PHE HD% A 71 GLU HA 1.0 1.8 5.0 1292 995 A 70 PHE HD% A 71 GLU HGx 1.0 1.8 5.0 1293 995 A 70 PHE HD% A 71 GLU HGy 1.0 1.8 5.0 1294 996 A 70 PHE HD% A 71 GLU H 1.0 1.8 5.0 1295 997 A 70 PHE HD% A 74 LEU HBx 1.0 1.8 6.0 1296 997 A 74 LEU HBy A 70 PHE HD% 1.0 1.8 6.0 1297 998 A 70 PHE HE% A 74 LEU HBx 1.0 1.8 6.0 1298 998 A 74 LEU HBy A 70 PHE HE% 1.0 1.8 6.0 1299 999 A 74 LEU HD1% A 70 PHE HE% 1.0 1.8 5.0 1300 1000 A 74 LEU HD2% A 70 PHE HE% 1.0 1.8 5.0 1301 1001 A 70 PHE HE% A 91 VAL HG1% 1.0 1.8 5.0 1302 1002 A 70 PHE H A 70 PHE HBy 1.0 1.8 3.5 1303 1003 A 70 PHE H A 70 PHE HBx 1.0 1.8 3.5 1304 1004 A 70 PHE HD% A 70 PHE H 1.0 1.8 5.0 1305 1005 A 70 PHE H A 71 GLU H 1.0 1.8 3.5 1306 1006 A 74 LEU HD1% A 70 PHE HZ 1.0 1.8 5.0 1307 1007 A 74 LEU HD2% A 70 PHE HZ 1.0 1.8 5.0 1308 1008 A 70 PHE HZ A 91 VAL HG1% 1.0 1.8 5.0 1309 1009 A 91 VAL HG2% A 70 PHE HZ 1.0 1.8 5.0 1310 1010 A 71 GLU HA A 71 GLU HGx 1.0 1.8 3.5 1311 1010 A 71 GLU HGy A 71 GLU HA 1.0 1.8 3.5 1312 1011 A 73 ASN H A 71 GLU HA 1.0 1.8 5.0 1313 1012 A 74 LEU HBy A 71 GLU HA 1.0 1.8 5.0 1314 1013 A 71 GLU HA A 74 LEU HBx 1.0 1.8 5.0 1315 1014 A 74 LEU HD1% A 71 GLU HA 1.0 1.8 5.0 1316 1015 A 74 LEU HD2% A 71 GLU HA 1.0 1.8 5.0 1317 1016 A 74 LEU H A 71 GLU HA 1.0 1.8 5.0 1318 1017 A 71 GLU HA A 75 GLU H 1.0 1.8 5.0 1319 1018 A 72 ARG H A 71 GLU HBx 1.0 1.8 3.5 1320 1018 A 71 GLU HBy A 72 ARG H 1.0 1.8 3.5 1321 1019 A 72 ARG H A 71 GLU HGx 1.0 1.8 5.0 1322 1019 A 71 GLU HGy A 72 ARG H 1.0 1.8 5.0 1323 1020 A 93 TYR HE% A 71 GLU HGx 1.0 1.8 6.0 1324 1020 A 93 TYR HE% A 71 GLU HGy 1.0 1.8 6.0 1325 1021 A 71 GLU H A 71 GLU HBx 1.0 1.8 3.5 1326 1021 A 71 GLU H A 71 GLU HBy 1.0 1.8 3.5 1327 1022 A 71 GLU H A 71 GLU HGx 1.0 1.8 3.5 1328 1022 A 71 GLU H A 71 GLU HGy 1.0 1.8 3.5 1329 1023 A 71 GLU H A 72 ARG HBx 1.0 1.8 5.0 1330 1023 A 71 GLU H A 72 ARG HBy 1.0 1.8 5.0 1331 1024 A 71 GLU H A 72 ARG H 1.0 1.8 3.5 1332 1025 A 72 ARG HA A 72 ARG HDx 1.0 1.8 5.0 1333 1025 A 72 ARG HDy A 72 ARG HA 1.0 1.8 5.0 1334 1026 A 74 LEU H A 72 ARG HA 1.0 1.8 5.0 1335 1027 A 72 ARG HA A 76 THR H 1.0 1.8 5.0 1336 1028 A 72 ARG HBy A 72 ARG HDx 1.0 1.8 3.5 1337 1028 A 72 ARG HBx A 72 ARG HDx 1.0 1.8 3.5 1338 1028 A 72 ARG HDy A 72 ARG HBx 1.0 1.8 3.5 1339 1028 A 72 ARG HBy A 72 ARG HDy 1.0 1.8 3.5 1340 1029 A 73 ASN H A 72 ARG HBx 1.0 1.8 3.5 1341 1029 A 72 ARG HBy A 73 ASN H 1.0 1.8 3.5 1342 1030 A 74 LEU H A 72 ARG HBx 1.0 1.8 6.0 1343 1030 A 74 LEU H A 72 ARG HBy 1.0 1.8 6.0 1344 1031 A 76 THR H A 72 ARG HBx 1.0 1.8 6.0 1345 1031 A 72 ARG HBy A 76 THR H 1.0 1.8 6.0 1346 1032 A 73 ASN H A 72 ARG HGx 1.0 1.8 5.0 1347 1032 A 72 ARG HGy A 73 ASN H 1.0 1.8 5.0 1348 1033 A 72 ARG H A 72 ARG HBx 1.0 1.8 3.5 1349 1033 A 72 ARG H A 72 ARG HBy 1.0 1.8 3.5 1350 1034 A 72 ARG H A 72 ARG HDx 1.0 1.8 5.0 1351 1034 A 72 ARG H A 72 ARG HDy 1.0 1.8 5.0 1352 1035 A 72 ARG H A 72 ARG HGx 1.0 1.8 3.5 1353 1035 A 72 ARG H A 72 ARG HGy 1.0 1.8 3.5 1354 1036 A 72 ARG H A 73 ASN H 1.0 1.8 3.5 1355 1037 A 74 LEU H A 72 ARG H 1.0 1.8 5.0 1356 1038 A 73 ASN HD21 A 73 ASN HA 1.0 1.8 5.0 1357 1038 A 73 ASN HD22 A 73 ASN HA 1.0 1.8 5.0 1358 1039 A 73 ASN HD21 A 73 ASN HA 1.0 1.8 6.0 1359 1040 A 73 ASN HD22 A 73 ASN HA 1.0 1.8 6.0 1360 1041 A 75 GLU H A 73 ASN HA 1.0 1.8 5.0 1361 1042 A 73 ASN HA A 76 THR HB 1.0 1.8 5.0 1362 1043 A 76 THR H A 73 ASN HA 1.0 1.8 5.0 1363 1044 A 73 ASN HA A 77 LEU H 1.0 1.8 5.0 1364 1045 A 73 ASN HBy A 74 LEU H 1.0 1.8 5.0 1365 1046 A 74 LEU H A 73 ASN HBx 1.0 1.8 5.0 1366 1047 A 73 ASN H A 73 ASN HBx 1.0 1.8 3.5 1367 1047 A 73 ASN HBy A 73 ASN H 1.0 1.8 3.5 1368 1048 A 73 ASN H A 73 ASN HD21 1.0 1.8 5.0 1369 1048 A 73 ASN H A 73 ASN HD22 1.0 1.8 5.0 1370 1049 A 74 LEU HBy A 73 ASN H 1.0 1.8 6.0 1371 1050 A 73 ASN H A 74 LEU HBx 1.0 1.8 6.0 1372 1051 A 74 LEU H A 73 ASN H 1.0 1.8 3.5 1373 1052 A 73 ASN H A 75 GLU H 1.0 1.8 5.0 1374 1053 A 74 LEU HA A 74 LEU HD1% 1.0 1.8 3.5 1375 1054 A 74 LEU HA A 74 LEU HD2% 1.0 1.8 5.0 1376 1055 A 74 LEU HA A 77 LEU HBy 1.0 1.8 5.0 1377 1056 A 74 LEU HA A 77 LEU HBx 1.0 1.8 5.0 1378 1057 A 74 LEU HA A 77 LEU H 1.0 1.8 5.0 1379 1058 A 74 LEU HA A 78 GLN H 1.0 1.8 5.0 1380 1059 A 74 LEU HD2% A 74 LEU HBx 1.0 1.8 3.5 1381 1059 A 74 LEU HBy A 74 LEU HD2% 1.0 1.8 3.5 1382 1060 A 74 LEU HBy A 75 GLU HBx 1.0 1.8 6.0 1383 1060 A 75 GLU HBy A 74 LEU HBx 1.0 1.8 6.0 1384 1060 A 74 LEU HBy A 75 GLU HBy 1.0 1.8 6.0 1385 1060 A 74 LEU HBx A 75 GLU HBx 1.0 1.8 6.0 1386 1061 A 76 THR H A 74 LEU HBx 1.0 1.8 6.0 1387 1061 A 74 LEU HBy A 76 THR H 1.0 1.8 6.0 1388 1062 A 74 LEU HBy A 75 GLU H 1.0 1.8 5.0 1389 1063 A 75 GLU H A 74 LEU HBx 1.0 1.8 5.0 1390 1064 A 74 LEU HD1% A 75 GLU H 1.0 1.8 6.0 1391 1065 A 74 LEU HD1% A 78 GLN HE2x 1.0 1.8 5.0 1392 1066 A 74 LEU HD1% A 78 GLN HE2y 1.0 1.8 5.0 1393 1067 A 74 LEU HD1% A 78 GLN HGy 1.0 1.8 5.0 1394 1068 A 74 LEU HD1% A 78 GLN HGx 1.0 1.8 5.0 1395 1069 A 74 LEU HD1% A 78 GLN H 1.0 1.8 6.0 1396 1070 A 74 LEU HD1% A 89 VAL HB 1.0 1.8 5.0 1397 1071 A 74 LEU HD2% A 75 GLU H 1.0 1.8 5.0 1398 1072 A 74 LEU HD2% A 78 GLN HE2x 1.0 1.8 5.0 1399 1073 A 74 LEU HD2% A 78 GLN HE2y 1.0 1.8 5.0 1400 1074 A 74 LEU HD2% A 78 GLN HGy 1.0 1.8 5.0 1401 1074 A 74 LEU HD2% A 78 GLN HGx 1.0 1.8 5.0 1402 1075 A 74 LEU HD2% A 89 VAL HB 1.0 1.8 6.0 1403 1076 A 74 LEU HD2% A 91 VAL HG2% 1.0 1.8 3.5 1404 1077 A 78 GLN HE2x A 74 LEU HG 1.0 1.8 5.0 1405 1078 A 78 GLN HE2y A 74 LEU HG 1.0 1.8 5.0 1406 1079 A 74 LEU HG A 78 GLN HGy 1.0 1.8 5.0 1407 1079 A 78 GLN HGx A 74 LEU HG 1.0 1.8 5.0 1408 1080 A 74 LEU H A 74 LEU HBy 1.0 1.8 3.5 1409 1081 A 74 LEU H A 74 LEU HBx 1.0 1.8 3.5 1410 1082 A 74 LEU HD1% A 74 LEU H 1.0 1.8 5.0 1411 1083 A 74 LEU H A 74 LEU HD2% 1.0 1.8 5.0 1412 1084 A 74 LEU H A 75 GLU HBx 1.0 1.8 6.0 1413 1084 A 74 LEU H A 75 GLU HBy 1.0 1.8 6.0 1414 1085 A 74 LEU H A 75 GLU H 1.0 1.8 3.5 1415 1086 A 75 GLU HA A 75 GLU HGx 1.0 1.8 3.5 1416 1086 A 75 GLU HA A 75 GLU HGy 1.0 1.8 3.5 1417 1087 A 75 GLU HA A 78 GLN HBx 1.0 1.8 5.0 1418 1087 A 75 GLU HA A 78 GLN HBy 1.0 1.8 5.0 1419 1088 A 78 GLN HE2x A 75 GLU HA 1.0 1.8 5.0 1420 1089 A 78 GLN HE2y A 75 GLU HA 1.0 1.8 5.0 1421 1090 A 78 GLN H A 75 GLU HA 1.0 1.8 5.0 1422 1091 A 76 THR H A 75 GLU HBx 1.0 1.8 3.5 1423 1091 A 76 THR H A 75 GLU HBy 1.0 1.8 3.5 1424 1092 A 76 THR H A 75 GLU HGx 1.0 1.8 5.0 1425 1092 A 76 THR H A 75 GLU HGy 1.0 1.8 5.0 1426 1093 A 75 GLU H A 75 GLU HBx 1.0 1.8 3.5 1427 1093 A 75 GLU H A 75 GLU HBy 1.0 1.8 3.5 1428 1094 A 75 GLU H A 75 GLU HGx 1.0 1.8 3.5 1429 1094 A 75 GLU H A 75 GLU HGy 1.0 1.8 3.5 1430 1095 A 75 GLU H A 76 THR H 1.0 1.8 3.5 1431 1096 A 76 THR HA A 76 THR HG2% 1.0 1.8 3.5 1432 1097 A 76 THR HA A 79 GLN HBx 1.0 1.8 5.0 1433 1097 A 76 THR HA A 79 GLN HBy 1.0 1.8 5.0 1434 1098 A 76 THR HA A 79 GLN H 1.0 1.8 5.0 1435 1099 A 76 THR HB A 77 LEU H 1.0 1.8 3.5 1436 1100 A 77 LEU H A 76 THR HG2% 1.0 1.8 5.0 1437 1101 A 76 THR HG2% A 80 GLU HGx 1.0 1.8 5.0 1438 1101 A 76 THR HG2% A 80 GLU HGy 1.0 1.8 5.0 1439 1102 A 76 THR HG2% A 80 GLU H 1.0 1.8 5.0 1440 1103 A 76 THR H A 76 THR HB 1.0 1.8 3.5 1441 1104 A 76 THR H A 76 THR HG2% 1.0 1.8 5.0 1442 1105 A 76 THR H A 77 LEU HBx 1.0 1.8 6.0 1443 1105 A 77 LEU HBy A 76 THR H 1.0 1.8 6.0 1444 1106 A 77 LEU HA A 77 LEU HD1% 1.0 1.8 3.5 1445 1107 A 79 GLN H A 77 LEU HA 1.0 1.8 5.0 1446 1108 A 77 LEU HA A 80 GLU HBy 1.0 1.8 5.0 1447 1108 A 77 LEU HA A 80 GLU HBx 1.0 1.8 5.0 1448 1109 A 77 LEU HA A 80 GLU HGx 1.0 1.8 5.0 1449 1109 A 80 GLU HGy A 77 LEU HA 1.0 1.8 5.0 1450 1110 A 80 GLU H A 77 LEU HA 1.0 1.8 5.0 1451 1111 A 81 LEU HD1% A 77 LEU HA 1.0 1.8 5.0 1452 1112 A 81 LEU HD1% A 77 LEU HBx 1.0 1.8 6.0 1453 1112 A 77 LEU HBy A 81 LEU HD1% 1.0 1.8 6.0 1454 1113 A 77 LEU HBy A 78 GLN H 1.0 1.8 5.0 1455 1114 A 78 GLN H A 77 LEU HBx 1.0 1.8 5.0 1456 1115 A 78 GLN H A 77 LEU HD1% 1.0 1.8 6.0 1457 1116 A 80 GLU H A 77 LEU HD1% 1.0 1.8 5.0 1458 1117 A 81 LEU HD1% A 77 LEU HD1% 1.0 1.8 5.0 1459 1118 A 77 LEU HD1% A 81 LEU HG 1.0 1.8 5.0 1460 1119 A 77 LEU HD1% A 81 LEU H 1.0 1.8 5.0 1461 1120 A 77 LEU HD2% A 81 LEU HD1% 1.0 1.8 5.0 1462 1121 A 77 LEU HG A 78 GLN HA 1.0 1.8 6.0 1463 1122 A 77 LEU HG A 78 GLN H 1.0 1.8 6.0 1464 1123 A 81 LEU HD1% A 77 LEU HG 1.0 1.8 5.0 1465 1124 A 77 LEU H A 77 LEU HBx 1.0 1.8 3.5 1466 1124 A 77 LEU HBy A 77 LEU H 1.0 1.8 3.5 1467 1125 A 77 LEU H A 77 LEU HD1% 1.0 1.8 5.0 1468 1126 A 77 LEU HD2% A 77 LEU H 1.0 1.8 5.0 1469 1127 A 77 LEU HG A 77 LEU H 1.0 1.8 5.0 1470 1128 A 78 GLN H A 77 LEU H 1.0 1.8 3.5 1471 1129 A 78 GLN HA A 81 LEU HBy 1.0 1.8 5.0 1472 1130 A 78 GLN HA A 81 LEU HBx 1.0 1.8 5.0 1473 1131 A 81 LEU HD1% A 78 GLN HA 1.0 1.8 5.0 1474 1132 A 81 LEU H A 78 GLN HA 1.0 1.8 5.0 1475 1133 A 78 GLN HA A 83 ILE HB 1.0 1.8 5.0 1476 1134 A 78 GLN HA A 83 ILE HD1% 1.0 1.8 5.0 1477 1135 A 78 GLN HE2x A 78 GLN HBx 1.0 1.8 5.0 1478 1135 A 78 GLN HE2x A 78 GLN HBy 1.0 1.8 5.0 1479 1136 A 78 GLN HE2y A 78 GLN HBx 1.0 1.8 5.0 1480 1136 A 78 GLN HE2y A 78 GLN HBy 1.0 1.8 5.0 1481 1137 A 79 GLN H A 78 GLN HBx 1.0 1.8 3.5 1482 1137 A 78 GLN HBy A 79 GLN H 1.0 1.8 3.5 1483 1138 A 83 ILE HB A 78 GLN HBx 1.0 1.8 5.0 1484 1138 A 78 GLN HBy A 83 ILE HB 1.0 1.8 5.0 1485 1139 A 83 ILE HG2% A 78 GLN HBx 1.0 1.8 5.0 1486 1139 A 78 GLN HBy A 83 ILE HG2% 1.0 1.8 5.0 1487 1140 A 78 GLN HE2y A 88 ARG HBx 1.0 1.8 5.0 1488 1140 A 78 GLN HE2y A 88 ARG HBy 1.0 1.8 5.0 1489 1141 A 78 GLN HE2y A 89 VAL HB 1.0 1.8 6.0 1490 1142 A 78 GLN HE2y A 89 VAL H 1.0 1.8 5.0 1491 1143 A 79 GLN H A 78 GLN HGy 1.0 1.8 5.0 1492 1143 A 78 GLN HGx A 79 GLN H 1.0 1.8 5.0 1493 1144 A 83 ILE HB A 78 GLN HGy 1.0 1.8 5.0 1494 1144 A 78 GLN HGx A 83 ILE HB 1.0 1.8 5.0 1495 1145 A 83 ILE HD1% A 78 GLN HGy 1.0 1.8 5.0 1496 1146 A 78 GLN HGx A 83 ILE HD1% 1.0 1.8 5.0 1497 1147 A 78 GLN H A 78 GLN HBx 1.0 1.8 3.5 1498 1147 A 78 GLN H A 78 GLN HBy 1.0 1.8 3.5 1499 1148 A 78 GLN H A 78 GLN HE2x 1.0 1.8 5.0 1500 1148 A 78 GLN H A 78 GLN HE2y 1.0 1.8 5.0 1501 1149 A 78 GLN H A 78 GLN HGy 1.0 1.8 5.0 1502 1150 A 78 GLN H A 78 GLN HGx 1.0 1.8 5.0 1503 1151 A 78 GLN H A 79 GLN H 1.0 1.8 3.5 1504 1152 A 78 GLN H A 81 LEU HBx 1.0 1.8 6.0 1505 1152 A 78 GLN H A 81 LEU HBy 1.0 1.8 6.0 1506 1153 A 81 LEU HD1% A 78 GLN H 1.0 1.8 6.0 1507 1154 A 78 GLN H A 83 ILE HD1% 1.0 1.8 6.0 1508 1155 A 81 LEU H A 79 GLN HA 1.0 1.8 5.0 1509 1156 A 79 GLN HA A 82 GLY H 1.0 1.8 5.0 1510 1157 A 79 GLN HA A 83 ILE H 1.0 1.8 5.0 1511 1158 A 79 GLN HBx A 79 GLN HE22 1.0 1.8 5.0 1512 1158 A 79 GLN HBy A 79 GLN HE22 1.0 1.8 5.0 1513 1158 A 79 GLN HE21 A 79 GLN HBx 1.0 1.8 5.0 1514 1158 A 79 GLN HBy A 79 GLN HE21 1.0 1.8 5.0 1515 1159 A 79 GLN HBy A 80 GLU H 1.0 1.8 5.0 1516 1160 A 80 GLU H A 79 GLN HBx 1.0 1.8 5.0 1517 1161 A 79 GLN H A 79 GLN HGx 1.0 1.8 3.5 1518 1161 A 79 GLN H A 79 GLN HGy 1.0 1.8 3.5 1519 1162 A 79 GLN H A 80 GLU H 1.0 1.8 3.5 1520 1163 A 80 GLU HA A 80 GLU HGx 1.0 1.8 3.5 1521 1163 A 80 GLU HGy A 80 GLU HA 1.0 1.8 3.5 1522 1164 A 82 GLY H A 80 GLU HBy 1.0 1.8 5.0 1523 1164 A 80 GLU HBx A 82 GLY H 1.0 1.8 5.0 1524 1165 A 81 LEU H A 80 GLU HBy 1.0 1.8 5.0 1525 1166 A 80 GLU HBx A 81 LEU H 1.0 1.8 5.0 1526 1167 A 80 GLU HGy A 81 LEU H 1.0 1.8 6.0 1527 1168 A 81 LEU H A 80 GLU HGx 1.0 1.8 6.0 1528 1169 A 80 GLU H A 80 GLU HBy 1.0 1.8 3.5 1529 1169 A 80 GLU H A 80 GLU HBx 1.0 1.8 3.5 1530 1170 A 80 GLU H A 80 GLU HGx 1.0 1.8 3.5 1531 1170 A 80 GLU HGy A 80 GLU H 1.0 1.8 3.5 1532 1171 A 80 GLU H A 81 LEU H 1.0 1.8 3.5 1533 1172 A 80 GLU H A 82 GLY H 1.0 1.8 5.0 1534 1173 A 81 LEU HD1% A 81 LEU HA 1.0 1.8 5.0 1535 1174 A 81 LEU HD2% A 81 LEU HA 1.0 1.8 3.5 1536 1175 A 83 ILE H A 81 LEU HA 1.0 1.8 5.0 1537 1176 A 81 LEU HD1% A 81 LEU HBx 1.0 1.8 3.5 1538 1176 A 81 LEU HD1% A 81 LEU HBy 1.0 1.8 3.5 1539 1177 A 81 LEU HD2% A 81 LEU HBx 1.0 1.8 3.5 1540 1177 A 81 LEU HD2% A 81 LEU HBy 1.0 1.8 3.5 1541 1178 A 81 LEU HBy A 83 ILE HG1x 1.0 1.8 5.0 1542 1178 A 81 LEU HBx A 83 ILE HG1x 1.0 1.8 5.0 1543 1178 A 83 ILE HG1y A 81 LEU HBx 1.0 1.8 5.0 1544 1178 A 81 LEU HBy A 83 ILE HG1y 1.0 1.8 5.0 1545 1179 A 81 LEU HBy A 82 GLY H 1.0 1.8 5.0 1546 1180 A 83 ILE HD1% A 81 LEU HBy 1.0 1.8 5.0 1547 1181 A 82 GLY H A 81 LEU HBx 1.0 1.8 5.0 1548 1182 A 83 ILE HD1% A 81 LEU HBx 1.0 1.8 5.0 1549 1183 A 81 LEU HD1% A 82 GLY H 1.0 1.8 6.0 1550 1184 A 81 LEU HD2% A 82 GLY H 1.0 1.8 6.0 1551 1185 A 81 LEU HG A 82 GLY H 1.0 1.8 6.0 1552 1186 A 81 LEU H A 81 LEU HBx 1.0 1.8 3.5 1553 1186 A 81 LEU H A 81 LEU HBy 1.0 1.8 3.5 1554 1187 A 81 LEU HD1% A 81 LEU H 1.0 1.8 5.0 1555 1188 A 81 LEU HD2% A 81 LEU H 1.0 1.8 5.0 1556 1189 A 81 LEU HG A 81 LEU H 1.0 1.8 3.5 1557 1190 A 81 LEU H A 82 GLY H 1.0 1.8 3.5 1558 1191 A 81 LEU H A 83 ILE HD1% 1.0 1.8 5.0 1559 1192 A 83 ILE H A 82 GLY HAx 1.0 1.8 3.5 1560 1192 A 83 ILE H A 82 GLY HAy 1.0 1.8 3.5 1561 1193 A 83 ILE HD1% A 82 GLY H 1.0 1.8 6.0 1562 1194 A 82 GLY H A 83 ILE HG1x 1.0 1.8 6.0 1563 1194 A 82 GLY H A 83 ILE HG1y 1.0 1.8 6.0 1564 1195 A 82 GLY H A 83 ILE H 1.0 1.8 3.5 1565 1196 A 83 ILE HD1% A 83 ILE HA 1.0 1.8 5.0 1566 1197 A 83 ILE HA A 83 ILE HG1x 1.0 1.8 3.5 1567 1197 A 83 ILE HG1y A 83 ILE HA 1.0 1.8 3.5 1568 1198 A 83 ILE HG2% A 83 ILE HA 1.0 1.8 3.5 1569 1199 A 83 ILE HA A 84 GLU H 1.0 1.8 3.5 1570 1200 A 83 ILE HB A 83 ILE HD1% 1.0 1.8 3.5 1571 1201 A 83 ILE HB A 84 GLU H 1.0 1.8 5.0 1572 1202 A 84 GLU H A 83 ILE HG1x 1.0 1.8 5.0 1573 1202 A 83 ILE HG1y A 84 GLU H 1.0 1.8 5.0 1574 1203 A 83 ILE HG2% A 84 GLU HA 1.0 1.8 5.0 1575 1204 A 83 ILE HG2% A 84 GLU H 1.0 1.8 3.5 1576 1205 A 83 ILE HG2% A 87 ASN HBy 1.0 1.8 5.0 1577 1206 A 83 ILE HG2% A 87 ASN HBx 1.0 1.8 5.0 1578 1207 A 83 ILE HG2% A 87 ASN H 1.0 1.8 5.0 1579 1208 A 83 ILE HG2% A 88 ARG HA 1.0 1.8 3.5 1580 1209 A 83 ILE HG2% A 88 ARG HDx 1.0 1.8 5.0 1581 1209 A 83 ILE HG2% A 88 ARG HDy 1.0 1.8 5.0 1582 1210 A 83 ILE HG2% A 88 ARG HE 1.0 1.8 5.0 1583 1211 A 83 ILE HG2% A 88 ARG HGx 1.0 1.8 5.0 1584 1211 A 83 ILE HG2% A 88 ARG HGy 1.0 1.8 5.0 1585 1212 A 83 ILE HG2% A 88 ARG H 1.0 1.8 5.0 1586 1213 A 83 ILE HG2% A 89 VAL H 1.0 1.8 5.0 1587 1214 A 83 ILE HB A 83 ILE H 1.0 1.8 3.5 1588 1215 A 83 ILE HD1% A 83 ILE H 1.0 1.8 5.0 1589 1216 A 83 ILE H A 83 ILE HG1x 1.0 1.8 3.5 1590 1216 A 83 ILE H A 83 ILE HG1y 1.0 1.8 3.5 1591 1217 A 83 ILE H A 84 GLU H 1.0 1.8 5.0 1592 1218 A 84 GLU HA A 84 GLU HGx 1.0 1.8 3.5 1593 1218 A 84 GLU HA A 84 GLU HGy 1.0 1.8 3.5 1594 1219 A 84 GLU HA A 85 GLY HAx 1.0 1.8 5.0 1595 1219 A 84 GLU HA A 85 GLY HAy 1.0 1.8 5.0 1596 1220 A 84 GLU HA A 85 GLY H 1.0 1.8 3.5 1597 1221 A 84 GLU HA A 88 ARG HDx 1.0 1.8 5.0 1598 1221 A 84 GLU HA A 88 ARG HDy 1.0 1.8 5.0 1599 1222 A 84 GLU HA A 88 ARG HE 1.0 1.8 5.0 1600 1223 A 84 GLU HA A 88 ARG H 1.0 1.8 5.0 1601 1224 A 85 GLY H A 84 GLU HBx 1.0 1.8 3.5 1602 1224 A 85 GLY H A 84 GLU HBy 1.0 1.8 3.5 1603 1225 A 85 GLY H A 84 GLU HGx 1.0 1.8 5.0 1604 1225 A 84 GLU HGy A 85 GLY H 1.0 1.8 5.0 1605 1226 A 84 GLU H A 84 GLU HBx 1.0 1.8 3.5 1606 1226 A 84 GLU H A 84 GLU HBy 1.0 1.8 3.5 1607 1227 A 84 GLU H A 84 GLU HGx 1.0 1.8 3.5 1608 1227 A 84 GLU H A 84 GLU HGy 1.0 1.8 3.5 1609 1228 A 84 GLU H A 87 ASN HBx 1.0 1.8 5.0 1610 1228 A 84 GLU H A 87 ASN HBy 1.0 1.8 5.0 1611 1229 A 84 GLU H A 87 ASN HD21 1.0 1.8 5.0 1612 1229 A 84 GLU H A 87 ASN HD22 1.0 1.8 5.0 1613 1230 A 84 GLU H A 87 ASN H 1.0 1.8 5.0 1614 1231 A 84 GLU H A 88 ARG H 1.0 1.8 5.0 1615 1232 A 86 GLU H A 85 GLY HAx 1.0 1.8 3.5 1616 1232 A 85 GLY HAy A 86 GLU H 1.0 1.8 3.5 1617 1233 A 85 GLY HAy A 88 ARG HBx 1.0 1.8 6.0 1618 1233 A 88 ARG HBy A 85 GLY HAx 1.0 1.8 6.0 1619 1233 A 88 ARG HBy A 85 GLY HAy 1.0 1.8 6.0 1620 1233 A 85 GLY HAx A 88 ARG HBx 1.0 1.8 6.0 1621 1234 A 85 GLY HAy A 88 ARG HDx 1.0 1.8 5.0 1622 1234 A 85 GLY HAx A 88 ARG HDx 1.0 1.8 5.0 1623 1234 A 88 ARG HDy A 85 GLY HAx 1.0 1.8 5.0 1624 1234 A 88 ARG HDy A 85 GLY HAy 1.0 1.8 5.0 1625 1235 A 88 ARG HE A 85 GLY HAx 1.0 1.8 6.0 1626 1235 A 88 ARG HE A 85 GLY HAy 1.0 1.8 6.0 1627 1236 A 85 GLY HAy A 88 ARG HGx 1.0 1.8 5.0 1628 1236 A 85 GLY HAx A 88 ARG HGx 1.0 1.8 5.0 1629 1236 A 88 ARG HGy A 85 GLY HAx 1.0 1.8 5.0 1630 1236 A 88 ARG HGy A 85 GLY HAy 1.0 1.8 5.0 1631 1237 A 88 ARG H A 85 GLY HAx 1.0 1.8 6.0 1632 1237 A 88 ARG H A 85 GLY HAy 1.0 1.8 6.0 1633 1238 A 87 ASN H A 85 GLY HAy 1.0 1.8 5.0 1634 1239 A 87 ASN H A 85 GLY HAx 1.0 1.8 5.0 1635 1240 A 85 GLY H A 86 GLU H 1.0 1.8 5.0 1636 1241 A 87 ASN H A 85 GLY H 1.0 1.8 5.0 1637 1242 A 85 GLY H A 88 ARG HDx 1.0 1.8 5.0 1638 1242 A 88 ARG HDy A 85 GLY H 1.0 1.8 5.0 1639 1243 A 88 ARG HE A 85 GLY H 1.0 1.8 5.0 1640 1244 A 85 GLY H A 88 ARG HGx 1.0 1.8 5.0 1641 1244 A 88 ARG HGy A 85 GLY H 1.0 1.8 5.0 1642 1245 A 88 ARG H A 86 GLU HA 1.0 1.8 5.0 1643 1246 A 87 ASN H A 86 GLU HBy 1.0 1.8 5.0 1644 1247 A 87 ASN H A 86 GLU HBx 1.0 1.8 5.0 1645 1248 A 87 ASN H A 86 GLU HGx 1.0 1.8 5.0 1646 1248 A 87 ASN H A 86 GLU HGy 1.0 1.8 5.0 1647 1249 A 86 GLU H A 86 GLU HBy 1.0 1.8 3.5 1648 1249 A 86 GLU H A 86 GLU HBx 1.0 1.8 3.5 1649 1250 A 86 GLU H A 86 GLU HGx 1.0 1.8 5.0 1650 1250 A 86 GLU H A 86 GLU HGy 1.0 1.8 5.0 1651 1251 A 87 ASN H A 86 GLU H 1.0 1.8 5.0 1652 1252 A 88 ARG H A 86 GLU H 1.0 1.8 6.0 1653 1253 A 87 ASN HBy A 87 ASN HD21 1.0 1.8 3.5 1654 1253 A 87 ASN HBx A 87 ASN HD21 1.0 1.8 3.5 1655 1253 A 87 ASN HD22 A 87 ASN HBx 1.0 1.8 3.5 1656 1253 A 87 ASN HBy A 87 ASN HD22 1.0 1.8 3.5 1657 1254 A 88 ARG H A 87 ASN HBy 1.0 1.8 5.0 1658 1255 A 88 ARG H A 87 ASN HBx 1.0 1.8 5.0 1659 1256 A 87 ASN H A 87 ASN HBx 1.0 1.8 3.5 1660 1256 A 87 ASN H A 87 ASN HBy 1.0 1.8 3.5 1661 1257 A 87 ASN H A 87 ASN HD21 1.0 1.8 5.0 1662 1257 A 87 ASN H A 87 ASN HD22 1.0 1.8 5.0 1663 1258 A 87 ASN H A 88 ARG HBx 1.0 1.8 5.0 1664 1258 A 88 ARG HBy A 87 ASN H 1.0 1.8 5.0 1665 1259 A 87 ASN H A 88 ARG HGx 1.0 1.8 6.0 1666 1259 A 87 ASN H A 88 ARG HGy 1.0 1.8 6.0 1667 1260 A 87 ASN H A 88 ARG H 1.0 1.8 3.5 1668 1261 A 88 ARG HA A 88 ARG HDx 1.0 1.8 5.0 1669 1261 A 88 ARG HA A 88 ARG HDy 1.0 1.8 5.0 1670 1262 A 89 VAL HG2% A 88 ARG HA 1.0 1.8 5.0 1671 1263 A 89 VAL H A 88 ARG HA 1.0 1.8 3.5 1672 1264 A 88 ARG HE A 88 ARG HBx 1.0 1.8 5.0 1673 1264 A 88 ARG HBy A 88 ARG HE 1.0 1.8 5.0 1674 1265 A 89 VAL H A 88 ARG HDx 1.0 1.8 5.0 1675 1265 A 89 VAL H A 88 ARG HDy 1.0 1.8 5.0 1676 1266 A 88 ARG HE A 88 ARG HGx 1.0 1.8 5.0 1677 1266 A 88 ARG HE A 88 ARG HGy 1.0 1.8 5.0 1678 1267 A 89 VAL H A 88 ARG HGx 1.0 1.8 5.0 1679 1267 A 89 VAL H A 88 ARG HGy 1.0 1.8 5.0 1680 1268 A 88 ARG H A 88 ARG HBx 1.0 1.8 3.5 1681 1268 A 88 ARG HBy A 88 ARG H 1.0 1.8 3.5 1682 1269 A 88 ARG H A 88 ARG HDx 1.0 1.8 5.0 1683 1269 A 88 ARG HDy A 88 ARG H 1.0 1.8 5.0 1684 1270 A 88 ARG H A 88 ARG HGx 1.0 1.8 5.0 1685 1270 A 88 ARG HGy A 88 ARG H 1.0 1.8 5.0 1686 1271 A 89 VAL H A 88 ARG H 1.0 1.8 6.0 1687 1272 A 89 VAL HG1% A 89 VAL HA 1.0 1.8 3.5 1688 1273 A 89 VAL HG2% A 89 VAL HA 1.0 1.8 3.5 1689 1274 A 90 PRO HDy A 89 VAL HA 1.0 1.8 3.5 1690 1275 A 90 PRO HDx A 89 VAL HA 1.0 1.8 3.5 1691 1276 A 89 VAL HG1% A 90 PRO HA 1.0 1.8 5.0 1692 1277 A 89 VAL HG1% A 90 PRO HDy 1.0 1.8 5.0 1693 1278 A 89 VAL HG1% A 90 PRO HDx 1.0 1.8 5.0 1694 1279 A 89 VAL HG2% A 90 PRO HDy 1.0 1.8 5.0 1695 1280 A 89 VAL HG2% A 90 PRO HDx 1.0 1.8 5.0 1696 1281 A 89 VAL HB A 89 VAL H 1.0 1.8 3.5 1697 1282 A 89 VAL HG1% A 89 VAL H 1.0 1.8 5.0 1698 1283 A 89 VAL HG2% A 89 VAL H 1.0 1.8 3.5 1699 1284 A 91 VAL HG2% A 90 PRO HA 1.0 1.8 5.0 1700 1285 A 90 PRO HA A 91 VAL H 1.0 1.8 2.7 1701 1286 A 91 VAL H A 90 PRO HBy 1.0 1.8 5.0 1702 1287 A 91 VAL H A 90 PRO HBx 1.0 1.8 5.0 1703 1288 A 91 VAL HA A 91 VAL HG1% 1.0 1.8 3.5 1704 1289 A 91 VAL HA A 91 VAL HG2% 1.0 1.8 3.5 1705 1290 A 91 VAL HA A 92 VAL H 1.0 1.8 3.5 1706 1291 A 93 TYR HE% A 91 VAL HB 1.0 1.8 5.0 1707 1292 A 91 VAL HG1% A 92 VAL HA 1.0 1.8 5.0 1708 1293 A 91 VAL HG1% A 92 VAL H 1.0 1.8 3.5 1709 1294 A 91 VAL HG1% A 93 TYR HA 1.0 1.8 6.0 1710 1295 A 91 VAL HG1% A 93 TYR HD% 1.0 1.8 5.0 1711 1296 A 91 VAL HG1% A 93 TYR HE% 1.0 1.8 5.0 1712 1297 A 91 VAL HG2% A 92 VAL H 1.0 1.8 5.0 1713 1298 A 91 VAL HB A 91 VAL H 1.0 1.8 3.5 1714 1299 A 91 VAL HG1% A 91 VAL H 1.0 1.8 5.0 1715 1300 A 91 VAL HG2% A 91 VAL H 1.0 1.8 3.5 1716 1301 A 92 VAL HG2% A 91 VAL H 1.0 1.8 5.0 1717 1302 A 92 VAL H A 91 VAL H 1.0 1.8 5.0 1718 1303 A 92 VAL HG1% A 92 VAL HA 1.0 1.8 3.5 1719 1304 A 93 TYR HD% A 92 VAL HA 1.0 1.8 5.0 1720 1305 A 92 VAL HA A 93 TYR H 1.0 1.8 3.5 1721 1306 A 92 VAL HB A 93 TYR H 1.0 1.8 5.0 1722 1307 A 92 VAL HG1% A 93 TYR H 1.0 1.8 5.0 1723 1308 A 92 VAL HG1% A 94 ILE HD1% 1.0 1.8 5.0 1724 1309 A 92 VAL HG2% A 93 TYR H 1.0 1.8 5.0 1725 1310 A 92 VAL HG1% A 92 VAL H 1.0 1.8 5.0 1726 1311 A 92 VAL HG2% A 92 VAL H 1.0 1.8 3.5 1727 1312 A 93 TYR HA A 93 TYR HD% 1.0 1.8 5.0 1728 1313 A 93 TYR HA A 93 TYR HE% 1.0 1.8 5.0 1729 1314 A 93 TYR HA A 94 ILE HG1x 1.0 1.8 6.0 1730 1314 A 94 ILE HG1y A 93 TYR HA 1.0 1.8 6.0 1731 1315 A 93 TYR HA A 94 ILE HG2% 1.0 1.8 6.0 1732 1316 A 93 TYR HA A 94 ILE H 1.0 1.8 3.5 1733 1317 A 93 TYR HD% A 94 ILE H 1.0 1.8 5.0 1734 1318 A 93 TYR H A 93 TYR HBx 1.0 1.8 3.5 1735 1318 A 93 TYR H A 93 TYR HBy 1.0 1.8 3.5 1736 1319 A 93 TYR HD% A 93 TYR H 1.0 1.8 3.5 1737 1320 A 94 ILE H A 93 TYR H 1.0 1.8 5.0 1738 1321 A 94 ILE HD1% A 94 ILE HA 1.0 1.8 5.0 1739 1322 A 94 ILE HG2% A 94 ILE HA 1.0 1.8 3.5 1740 1323 A 95 ALA HB% A 94 ILE HA 1.0 1.8 5.0 1741 1324 A 94 ILE HA A 95 ALA H 1.0 1.8 3.5 1742 1325 A 94 ILE HB A 95 ALA H 1.0 1.8 5.0 1743 1326 A 94 ILE HD1% A 95 ALA H 1.0 1.8 6.0 1744 1327 A 94 ILE HG1y A 95 ALA H 1.0 1.8 6.0 1745 1328 A 95 ALA H A 94 ILE HG1x 1.0 1.8 6.0 1746 1329 A 94 ILE HD1% A 94 ILE HG2% 1.0 1.8 3.5 1747 1330 A 94 ILE HG2% A 94 ILE HG1x 1.0 1.8 3.5 1748 1330 A 94 ILE HG1y A 94 ILE HG2% 1.0 1.8 3.5 1749 1331 A 94 ILE HG2% A 95 ALA HA 1.0 1.8 5.0 1750 1332 A 94 ILE HG2% A 95 ALA H 1.0 1.8 3.5 1751 1333 A 94 ILE HG2% A 96 GLU HA 1.0 1.8 6.0 1752 1334 A 94 ILE HG2% A 96 GLU HGx 1.0 1.8 5.0 1753 1334 A 94 ILE HG2% A 96 GLU HGy 1.0 1.8 5.0 1754 1335 A 94 ILE HG2% A 96 GLU H 1.0 1.8 5.0 1755 1336 A 94 ILE H A 94 ILE HB 1.0 1.8 3.5 1756 1337 A 94 ILE HD1% A 94 ILE H 1.0 1.8 5.0 1757 1338 A 94 ILE H A 94 ILE HG1x 1.0 1.8 5.0 1758 1338 A 94 ILE HG1y A 94 ILE H 1.0 1.8 5.0 1759 1339 A 94 ILE H A 95 ALA H 1.0 1.8 5.0 1760 1340 A 95 ALA HA A 96 GLU H 1.0 1.8 3.5 1761 1341 A 95 ALA HB% A 95 ALA H 1.0 1.8 3.5 1762 1342 A 96 GLU H A 95 ALA H 1.0 1.8 5.0 1763 1343 A 97 SER H A 96 GLU HBy 1.0 1.8 6.0 1764 1344 A 96 GLU HBx A 97 SER H 1.0 1.8 6.0 1765 1345 A 96 GLU H A 96 GLU HGx 1.0 1.8 5.0 1766 1345 A 96 GLU HGy A 96 GLU H 1.0 1.8 5.0 1767 1346 A 97 SER HA A 98 ASP H 1.0 1.8 3.5 1768 1347 A 97 SER HA A 99 GLY H 1.0 1.8 5.0 1769 1348 A 99 GLY H A 97 SER HBx 1.0 1.8 5.0 1770 1348 A 99 GLY H A 97 SER HBy 1.0 1.8 5.0 1771 1349 A 99 GLY H A 98 ASP HBy 1.0 1.8 5.0 1772 1350 A 99 GLY H A 98 ASP HBx 1.0 1.8 5.0 1773 1351 A 98 ASP H A 98 ASP HBy 1.0 1.8 3.5 1774 1351 A 98 ASP H A 98 ASP HBx 1.0 1.8 3.5 1775 1352 A 98 ASP H A 99 GLY H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin 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 18 ILE H A 61 TRP O 1.0 1.7 2.3 2 2 A 61 TRP O A 18 ILE N 1.0 2.7 3.3 3 3 A 23 PHE H A 19 THR O 1.0 1.7 2.3 4 4 A 19 THR O A 23 PHE N 1.0 2.7 3.3 5 5 A 24 VAL H A 20 TRP O 1.0 1.7 2.3 6 6 A 20 TRP O A 24 VAL N 1.0 2.7 3.3 7 7 A 25 ASN H A 21 LYS O 1.0 1.7 2.3 8 8 A 21 LYS O A 25 ASN N 1.0 2.7 3.3 9 9 A 26 ASN H A 22 ASP O 1.0 1.7 2.3 10 10 A 22 ASP O A 26 ASN N 1.0 2.7 3.3 11 11 A 29 SER H A 24 VAL O 1.0 1.7 2.3 12 12 A 24 VAL O A 29 SER N 1.0 2.7 3.3 13 13 A 31 GLY H A 28 LEU O 1.0 1.7 2.3 14 14 A 28 LEU O A 31 GLY N 1.0 2.7 3.3 15 15 A 34 ASP H A 47 THR O 1.0 1.7 2.3 16 16 A 47 THR O A 34 ASP N 1.0 2.7 3.3 17 17 A 36 LEU H A 90 PRO O 1.0 1.7 2.3 18 18 A 90 PRO O A 36 LEU N 1.0 2.7 3.3 19 19 A 37 GLU H A 45 ARG O 1.0 1.7 2.3 20 20 A 45 ARG O A 37 GLU N 1.0 2.7 3.3 21 21 A 38 VAL H A 92 VAL O 1.0 1.7 2.3 22 22 A 92 VAL O A 38 VAL N 1.0 2.7 3.3 23 23 A 39 VAL H A 43 PHE O 1.0 1.7 2.3 24 24 A 43 PHE O A 39 VAL N 1.0 2.7 3.3 25 25 A 40 ASN H A 94 ILE O 1.0 1.7 2.3 26 26 A 94 ILE O A 40 ASN N 1.0 2.7 3.3 27 27 A 44 VAL H A 62 PHE O 1.0 1.7 2.3 28 28 A 62 PHE O A 44 VAL N 1.0 2.7 3.3 29 29 A 45 ARG H A 37 GLU O 1.0 1.7 2.3 30 30 A 37 GLU O A 45 ARG N 1.0 2.7 3.3 31 31 A 46 VAL H A 60 VAL O 1.0 1.7 2.3 32 32 A 60 VAL O A 46 VAL N 1.0 2.7 3.3 33 33 A 47 THR H A 35 ARG O 1.0 1.7 2.3 34 34 A 35 ARG O A 47 THR N 1.0 2.7 3.3 35 35 A 49 THR H A 32 VAL O 1.0 1.7 2.3 36 36 A 32 VAL O A 49 THR N 1.0 2.7 3.3 37 37 A 61 TRP H A 16 ARG O 1.0 1.7 2.3 38 38 A 16 ARG O A 61 TRP N 1.0 2.7 3.3 39 39 A 62 PHE H A 44 VAL O 1.0 1.7 2.3 40 40 A 44 VAL O A 62 PHE N 1.0 2.7 3.3 41 41 A 70 PHE H A 66 SER O 1.0 1.7 2.3 42 42 A 66 SER O A 70 PHE N 1.0 2.7 3.3 43 43 A 71 GLU H A 67 VAL O 1.0 1.7 2.3 44 44 A 67 VAL O A 71 GLU N 1.0 2.7 3.3 45 45 A 72 ARG H A 68 ASP O 1.0 1.7 2.3 46 46 A 68 ASP O A 72 ARG N 1.0 2.7 3.3 47 47 A 73 ASN H A 69 THR O 1.0 1.7 2.3 48 48 A 69 THR O A 73 ASN N 1.0 2.7 3.3 49 49 A 74 LEU H A 70 PHE O 1.0 1.7 2.3 50 50 A 70 PHE O A 74 LEU N 1.0 2.7 3.3 51 51 A 75 GLU H A 71 GLU O 1.0 1.7 2.3 52 52 A 71 GLU O A 75 GLU N 1.0 2.7 3.3 53 53 A 76 THR H A 72 ARG O 1.0 1.7 2.3 54 54 A 72 ARG O A 76 THR N 1.0 2.7 3.3 55 55 A 77 LEU H A 73 ASN O 1.0 1.7 2.3 56 56 A 73 ASN O A 77 LEU N 1.0 2.7 3.3 57 57 A 78 GLN H A 74 LEU O 1.0 1.7 2.3 58 58 A 74 LEU O A 78 GLN N 1.0 2.7 3.3 59 59 A 79 GLN H A 75 GLU O 1.0 1.7 2.3 60 60 A 75 GLU O A 79 GLN N 1.0 2.7 3.3 61 61 A 80 GLU H A 76 THR O 1.0 1.7 2.3 62 62 A 76 THR O A 80 GLU N 1.0 2.7 3.3 63 63 A 81 LEU H A 77 LEU O 1.0 1.7 2.3 64 64 A 77 LEU O A 81 LEU N 1.0 2.7 3.3 65 65 A 87 ASN H A 84 GLU O 1.0 1.7 2.3 66 66 A 84 GLU O A 87 ASN N 1.0 2.7 3.3 67 67 A 92 VAL H A 36 LEU O 1.0 1.7 2.3 68 68 A 36 LEU O A 92 VAL N 1.0 2.7 3.3 69 69 A 94 ILE H A 38 VAL O 1.0 1.7 2.3 70 70 A 38 VAL O A 94 ILE N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 15 GLY C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -153.7 -82.5 PHI 2 2 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 GLU N 1.0 83.5 163.5 PSI 3 3 A 16 ARG C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -138.6 -70.8 PHI 4 4 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ILE N 1.0 113.6 153.6 PSI 5 5 A 19 THR C A 20 TRP N A 20 TRP CA A 20 TRP C 1.0 -80.2 -40.2 PHI 6 6 A 20 TRP N A 20 TRP CA A 20 TRP C A 21 LYS N 1.0 -63.2 -23.2 PSI 7 7 A 20 TRP C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -80.5 -40.5 PHI 8 8 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASP N 1.0 -61.1 -21.1 PSI 9 9 A 21 LYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -86.6 -46.6 PHI 10 10 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 PHE N 1.0 -61.2 -21.2 PSI 11 11 A 22 ASP C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -88.0 -48.0 PHI 12 12 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 VAL N 1.0 -57.6 -17.6 PSI 13 13 A 23 PHE C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -80.8 -40.8 PHI 14 14 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ASN N 1.0 -82.6 -12.6 PSI 15 15 A 24 VAL C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -88.0 -47.8 PHI 16 16 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 ASN N 1.0 -56.4 -6.0 PSI 17 17 A 25 ASN C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -97.5 -39.9 PHI 18 18 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 TYR N 1.0 -48.4 -8.4 PSI 19 19 A 28 LEU C A 29 SER N A 29 SER CA A 29 SER C 1.0 -85.0 -45.0 PHI 20 20 A 29 SER N A 29 SER CA A 29 SER C A 30 LYS N 1.0 -44.8 -4.8 PSI 21 21 A 29 SER C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -122.7 -73.3 PHI 22 22 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLY N 1.0 -41.0 31.0 PSI 23 23 A 32 VAL C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -122.4 -43.2 PHI 24 24 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 ASP N 1.0 86.1 152.9 PSI 25 25 A 33 VAL C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -113.0 -66.8 PHI 26 26 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 ARG N 1.0 -68.5 1.3 PSI 27 27 A 34 ASP C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -185.1 -135.1 PHI 28 28 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 LEU N 1.0 140.6 180.6 PSI 29 29 A 35 ARG C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -176.9 -95.9 PHI 30 30 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLU N 1.0 105.5 178.1 PSI 31 31 A 36 LEU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -165.4 -84.4 PHI 32 32 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 VAL N 1.0 102.2 170.0 PSI 33 33 A 37 GLU C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -127.0 -56.2 PHI 34 34 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 VAL N 1.0 93.1 138.5 PSI 35 35 A 38 VAL C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -174.4 -39.6 PHI 36 36 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ASN N 1.0 82.7 161.9 PSI 37 37 A 39 VAL C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 33.7 73.7 PHI 38 38 A 40 ASN N A 40 ASN CA A 40 ASN C A 41 LYS N 1.0 13.0 73.0 PSI 39 39 A 40 ASN C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 44.1 84.1 PHI 40 40 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 ARG N 1.0 -5.2 49.2 PSI 41 41 A 42 ARG C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -185.1 -108.9 PHI 42 42 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 VAL N 1.0 123.6 189.6 PSI 43 43 A 43 PHE C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -135.0 -91.2 PHI 44 44 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ARG N 1.0 102.5 148.5 PSI 45 45 A 44 VAL C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -144.6 -83.8 PHI 46 46 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 VAL N 1.0 112.0 153.6 PSI 47 47 A 45 ARG C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -141.5 -83.5 PHI 48 48 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 THR N 1.0 110.3 150.3 PSI 49 49 A 46 VAL C A 47 THR N A 47 THR CA A 47 THR C 1.0 -141.1 -75.5 PHI 50 50 A 47 THR N A 47 THR CA A 47 THR C A 48 PHE N 1.0 97.0 162.8 PSI 51 51 A 47 THR C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -148.9 -58.9 PHI 52 52 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 THR N 1.0 91.2 171.6 PSI 53 53 A 48 PHE C A 49 THR N A 49 THR CA A 49 THR C 1.0 -109.4 -46.4 PHI 54 54 A 49 THR N A 49 THR CA A 49 THR C A 50 PRO N 1.0 98.3 170.1 PSI 55 55 A 52 LYS C A 53 THR N A 53 THR CA A 53 THR C 1.0 -136.2 -35.4 PHI 56 56 A 53 THR N A 53 THR CA A 53 THR C A 54 PRO N 1.0 62.9 181.3 PSI 57 57 A 54 PRO C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -103.2 -33.4 PHI 58 58 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASP N 1.0 -41.9 5.7 PSI 59 59 A 58 GLN C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -129.3 -59.7 PHI 60 60 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 VAL N 1.0 117.2 174.0 PSI 61 61 A 59 TYR C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -154.0 -111.2 PHI 62 62 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 TRP N 1.0 139.3 179.3 PSI 63 63 A 60 VAL C A 61 TRP N A 61 TRP CA A 61 TRP C 1.0 -168.4 -121.0 PHI 64 64 A 61 TRP N A 61 TRP CA A 61 TRP C A 62 PHE N 1.0 137.5 186.5 PSI 65 65 A 61 TRP C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -166.7 -92.7 PHI 66 66 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 ASN N 1.0 110.5 175.5 PSI 67 67 A 65 GLY C A 66 SER N A 66 SER CA A 66 SER C 1.0 -130.1 -51.7 PHI 68 68 A 66 SER N A 66 SER CA A 66 SER C A 67 VAL N 1.0 92.1 189.7 PSI 69 69 A 66 SER C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -76.1 -36.1 PHI 70 70 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 ASP N 1.0 -65.3 -22.1 PSI 71 71 A 67 VAL C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -80.7 -40.7 PHI 72 72 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 THR N 1.0 -63.0 -23.0 PSI 73 73 A 68 ASP C A 69 THR N A 69 THR CA A 69 THR C 1.0 -85.9 -45.9 PHI 74 74 A 69 THR N A 69 THR CA A 69 THR C A 70 PHE N 1.0 -57.2 -17.2 PSI 75 75 A 69 THR C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -84.5 -44.5 PHI 76 76 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 GLU N 1.0 -62.9 -22.9 PSI 77 77 A 70 PHE C A 71 GLU N A 71 GLU CA A 71 GLU C 1.0 -79.9 -39.9 PHI 78 78 A 71 GLU N A 71 GLU CA A 71 GLU C A 72 ARG N 1.0 -60.4 -20.4 PSI 79 79 A 71 GLU C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -86.6 -46.6 PHI 80 80 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 ASN N 1.0 -58.4 -18.4 PSI 81 81 A 72 ARG C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -89.4 -49.4 PHI 82 82 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 LEU N 1.0 -58.0 -18.0 PSI 83 83 A 73 ASN C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -85.0 -45.0 PHI 84 84 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 GLU N 1.0 -59.7 -19.7 PSI 85 85 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -89.6 -49.6 PHI 86 86 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 THR N 1.0 -55.6 -15.6 PSI 87 87 A 75 GLU C A 76 THR N A 76 THR CA A 76 THR C 1.0 -85.7 -45.7 PHI 88 88 A 76 THR N A 76 THR CA A 76 THR C A 77 LEU N 1.0 -64.7 -24.7 PSI 89 89 A 76 THR C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -82.2 -42.2 PHI 90 90 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 GLN N 1.0 -62.5 -22.5 PSI 91 91 A 77 LEU C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -83.5 -43.5 PHI 92 92 A 78 GLN N A 78 GLN CA A 78 GLN C A 79 GLN N 1.0 -58.6 -18.6 PSI 93 93 A 78 GLN C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -83.6 -43.6 PHI 94 94 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 GLU N 1.0 -62.8 -22.8 PSI 95 95 A 79 GLN C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -84.7 -44.7 PHI 96 96 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 LEU N 1.0 -55.1 -7.7 PSI 97 97 A 80 GLU C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -122.7 -69.7 PHI 98 98 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLY N 1.0 -18.4 21.6 PSI 99 99 A 81 LEU C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 62.3 115.1 PHI 100 100 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 ILE N 1.0 -35.1 53.3 PSI 101 101 A 82 GLY C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -145.6 -5.6 PHI 102 102 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 GLU N 1.0 93.0 176.4 PSI 103 103 A 83 ILE C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -179.6 -50.8 PHI 104 104 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 GLY N 1.0 125.9 175.7 PSI 105 105 A 85 GLY C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -87.0 -45.0 PHI 106 106 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 ASN N 1.0 -45.3 -5.3 PSI 107 107 A 86 GLU C A 87 ASN N A 87 ASN CA A 87 ASN C 1.0 -120.3 -73.3 PHI 108 108 A 87 ASN N A 87 ASN CA A 87 ASN C A 88 ARG N 1.0 -24.0 20.8 PSI 109 109 A 87 ASN C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -108.8 -45.8 PHI 110 110 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 VAL N 1.0 116.5 156.5 PSI 111 111 A 88 ARG C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -143.9 -52.7 PHI 112 112 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 PRO N 1.0 100.9 157.9 PSI 113 113 A 90 PRO C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -115.2 -69.2 PHI 114 114 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 VAL N 1.0 110.8 179.2 PSI 115 115 A 91 VAL C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -162.9 -77.9 PHI 116 116 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 TYR N 1.0 98.5 174.7 PSI 117 117 A 92 VAL C A 93 TYR N A 93 TYR CA A 93 TYR C 1.0 -132.9 -66.7 PHI 118 118 A 93 TYR N A 93 TYR CA A 93 TYR C A 94 ILE N 1.0 93.5 163.5 PSI 119 119 A 93 TYR C A 94 ILE N A 94 ILE CA A 94 ILE C 1.0 -161.5 -76.1 PHI 120 120 A 94 ILE N A 94 ILE CA A 94 ILE C A 95 ALA N 1.0 98.9 168.5 PSI stop_ save_