data_nef_c16147_2mmo 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 30 CYS SG 1 33 CYS SG stop_ 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 SER start . . 2 A 2 VAL middle . . 3 A 3 LYS middle . . 4 A 4 ILE middle . . 5 A 5 VAL middle . . 6 A 6 THR middle . . 7 A 7 SER middle . . 8 A 8 GLN middle . . 9 A 9 SER middle . . 10 A 10 GLU middle . . 11 A 11 PHE middle . . 12 A 12 ASP middle . . 13 A 13 SER middle . . 14 A 14 ILE middle . . 15 A 15 ILE middle . . 16 A 16 SER middle . . 17 A 17 GLN middle . . 18 A 18 ASN middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 ILE middle . . 23 A 23 VAL middle . . 24 A 24 ASP middle . . 25 A 25 PHE middle . . 26 A 26 PHE middle . . 27 A 27 ALA middle . . 28 A 28 GLU middle . . 29 A 29 TRP middle . . 30 A 30 CYS middle -HG . 31 A 31 GLY middle . false 32 A 32 PRO middle . false 33 A 33 CYS middle -HG . 34 A 34 LYS middle . . 35 A 35 ARG middle . . 36 A 36 ILE middle . . 37 A 37 ALA middle . . 38 A 38 PRO middle . false 39 A 39 PHE middle . . 40 A 40 TYR middle . . 41 A 41 GLU middle . . 42 A 42 GLU middle . . 43 A 43 CYS middle . . 44 A 44 SER middle . . 45 A 45 LYS middle . . 46 A 46 THR middle . . 47 A 47 TYR middle . . 48 A 48 THR middle . . 49 A 49 LYS middle . . 50 A 50 MET middle . . 51 A 51 VAL middle . . 52 A 52 PHE middle . . 53 A 53 ILE middle . . 54 A 54 LYS middle . . 55 A 55 VAL middle . . 56 A 56 ASP middle . . 57 A 57 VAL middle . . 58 A 58 ASP middle . . 59 A 59 GLU middle . . 60 A 60 VAL middle . . 61 A 61 SER middle . . 62 A 62 GLU middle . . 63 A 63 VAL middle . . 64 A 64 THR middle . . 65 A 65 GLU middle . . 66 A 66 LYS middle . . 67 A 67 GLU middle . . 68 A 68 ASN middle . . 69 A 69 ILE middle . . 70 A 70 THR middle . . 71 A 71 SER middle . . 72 A 72 MET middle . . 73 A 73 PRO middle . false 74 A 74 THR middle . . 75 A 75 PHE middle . . 76 A 76 LYS middle . . 77 A 77 VAL middle . . 78 A 78 TYR middle . . 79 A 79 LYS middle . . 80 A 80 ASN middle . . 81 A 81 GLY middle . false 82 A 82 SER middle . . 83 A 83 SER middle . . 84 A 84 VAL middle . true 85 A 85 ASP middle . . 86 A 86 THR middle . . 87 A 87 LEU middle . . 88 A 88 LEU middle . . 89 A 89 GLY middle . false 90 A 90 ALA middle . . 91 A 91 ASN middle . . 92 A 92 ASP middle . . 93 A 93 SER middle . . 94 A 94 ALA middle . . 95 A 95 LEU middle . . 96 A 96 LYS middle . . 97 A 97 GLN middle . . 98 A 98 LEU middle . . 99 A 99 ILE middle . . 100 A 100 GLU middle . . 101 A 101 LYS middle . . 102 A 102 TYR middle . . 103 A 103 ALA middle . . 104 A 104 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER HA H 1 4.47 0.02 A 1 SER HBx H 1 3.77 0.02 A 1 SER HBy H 1 3.77 0.02 A 1 SER C C 13 173.84 0.05 A 1 SER CA C 13 57.86 0.05 A 1 SER CB C 13 63.87 0.05 A 1 SER N N 15 114.8 0.1 A 2 VAL H H 1 8.26 0.02 A 2 VAL HA H 1 4.19 0.02 A 2 VAL HB H 1 2.02 0.02 A 2 VAL HG1% H 1 0.92 0.02 A 2 VAL HG2% H 1 0.86 0.02 A 2 VAL C C 13 175.86 0.05 A 2 VAL CA C 13 62.23 0.05 A 2 VAL CB C 13 32.43 0.05 A 2 VAL CG1 C 13 21.22 0.05 A 2 VAL CG2 C 13 20.67 0.05 A 2 VAL N N 15 122.3 0.1 A 3 LYS H H 1 8.53 0.02 A 3 LYS HA H 1 4.35 0.02 A 3 LYS HB2 H 1 1.75 0.02 A 3 LYS HB3 H 1 1.79 0.02 A 3 LYS HDx H 1 1.57 0.02 A 3 LYS HDy H 1 1.57 0.02 A 3 LYS HE2 H 1 2.92 0.02 A 3 LYS HE3 H 1 2.95 0.02 A 3 LYS HG2 H 1 1.31 0.02 A 3 LYS HG3 H 1 1.34 0.02 A 3 LYS C C 13 175.07 0.05 A 3 LYS CA C 13 55.4 0.05 A 3 LYS CB C 13 33.52 0.05 A 3 LYS CD C 13 28.33 0.05 A 3 LYS CE C 13 41.45 0.05 A 3 LYS CG C 13 24.5 0.05 A 3 LYS N N 15 129.7 0.1 A 4 ILE H H 1 8.59 0.02 A 4 ILE HA H 1 4.54 0.02 A 4 ILE HB H 1 1.78 0.02 A 4 ILE HD11 H 1 0.9 0.02 A 4 ILE HD12 H 1 0.9 0.02 A 4 ILE HD13 H 1 0.9 0.02 A 4 ILE HG12 H 1 0.93 0.02 A 4 ILE HG13 H 1 1.64 0.02 A 4 ILE HG21 H 1 0.9 0.02 A 4 ILE HG22 H 1 0.9 0.02 A 4 ILE HG23 H 1 0.9 0.02 A 4 ILE C C 13 175.88 0.05 A 4 ILE CA C 13 60.32 0.05 A 4 ILE CB C 13 38.45 0.05 A 4 ILE CD1 C 13 13.56 0.05 A 4 ILE CG1 C 13 28.6 0.05 A 4 ILE CG2 C 13 17.66 0.05 A 4 ILE N N 15 126.4 0.1 A 5 VAL H H 1 8.41 0.02 A 5 VAL HA H 1 4.38 0.02 A 5 VAL HB H 1 2.03 0.02 A 5 VAL HG1% H 1 0.97 0.02 A 5 VAL HG2% H 1 1.12 0.02 A 5 VAL C C 13 176.4 0.05 A 5 VAL CA C 13 61.41 0.05 A 5 VAL CB C 13 32.98 0.05 A 5 VAL CG1 C 13 23.13 0.05 A 5 VAL CG2 C 13 22.31 0.05 A 5 VAL N N 15 128.1 0.1 A 6 THR H H 1 8.69 0.02 A 6 THR HA H 1 4.46 0.02 A 6 THR HB H 1 4.6 0.02 A 6 THR HG2% H 1 1.19 0.02 A 6 THR C C 13 173.67 0.05 A 6 THR CA C 13 61.41 0.05 A 6 THR CB C 13 69.62 0.05 A 6 THR CG2 C 13 21.22 0.05 A 6 THR N N 15 112.6 0.1 A 7 SER H H 1 7.5 0.02 A 7 SER HA H 1 4.83 0.02 A 7 SER HB2 H 1 4.05 0.02 A 7 SER HB3 H 1 4.22 0.02 A 7 SER C C 13 173.66 0.05 A 7 SER CA C 13 57.04 0.05 A 7 SER CB C 13 66.34 0.05 A 7 SER N N 15 112.7 0.1 A 8 GLN H H 1 9.5 0.02 A 8 GLN HA H 1 3.79 0.02 A 8 GLN HB2 H 1 1.95 0.02 A 8 GLN HB3 H 1 2.1 0.02 A 8 GLN HE21 H 1 6.56 0.02 A 8 GLN HE22 H 1 7.87 0.02 A 8 GLN HG2 H 1 2.2 0.02 A 8 GLN HG3 H 1 2.36 0.02 A 8 GLN C C 13 177.01 0.05 A 8 GLN CA C 13 58.41 0.05 A 8 GLN CB C 13 28.05 0.05 A 8 GLN CG C 13 32.98 0.05 A 8 GLN N N 15 123.7 0.1 A 9 SER H H 1 8.71 0.02 A 9 SER HA H 1 4.26 0.02 A 9 SER HB2 H 1 3.88 0.02 A 9 SER HB3 H 1 3.91 0.02 A 9 SER C C 13 177.57 0.05 A 9 SER CA C 13 61.14 0.05 A 9 SER CB C 13 61.69 0.05 A 9 SER N N 15 114 0.1 A 10 GLU H H 1 7.87 0.02 A 10 GLU HA H 1 4.05 0.02 A 10 GLU HB2 H 1 2.02 0.02 A 10 GLU HB3 H 1 2.15 0.02 A 10 GLU HGx H 1 2.36 0.02 A 10 GLU HGy H 1 2.36 0.02 A 10 GLU C C 13 177.7 0.05 A 10 GLU CA C 13 58.95 0.05 A 10 GLU CB C 13 29.7 0.05 A 10 GLU CG C 13 36.26 0.05 A 10 GLU N N 15 123.6 0.1 A 11 PHE H H 1 7.93 0.02 A 11 PHE HA H 1 3.68 0.02 A 11 PHE HB2 H 1 2.9 0.02 A 11 PHE HB3 H 1 3.39 0.02 A 11 PHE HDx H 1 7.05 0.02 A 11 PHE HDy H 1 7.05 0.02 A 11 PHE HEx H 1 7.09 0.02 A 11 PHE HEy H 1 7.09 0.02 A 11 PHE HZ H 1 7.47 0.02 A 11 PHE C C 13 175.43 0.05 A 11 PHE CA C 13 62.51 0.05 A 11 PHE CB C 13 39.27 0.05 A 11 PHE N N 15 120.7 0.1 A 12 ASP H H 1 8.85 0.02 A 12 ASP HA H 1 4.19 0.02 A 12 ASP HB2 H 1 2.63 0.02 A 12 ASP HB3 H 1 2.69 0.02 A 12 ASP C C 13 179.85 0.05 A 12 ASP CA C 13 56.77 0.05 A 12 ASP CB C 13 39.81 0.05 A 12 ASP N N 15 117.2 0.1 A 13 SER H H 1 7.96 0.02 A 13 SER HA H 1 4.11 0.02 A 13 SER HB2 H 1 3.97 0.02 A 13 SER HB3 H 1 3.91 0.02 A 13 SER C C 13 175.68 0.05 A 13 SER CA C 13 61.41 0.05 A 13 SER CB C 13 62.51 0.05 A 13 SER N N 15 116.4 0.1 A 14 ILE H H 1 8 0.02 A 14 ILE HA H 1 3.51 0.02 A 14 ILE HB H 1 1.66 0.02 A 14 ILE HD1% H 1 0.75 0.02 A 14 ILE HG12 H 1 1.06 0.02 A 14 ILE HG13 H 1 1.72 0.02 A 14 ILE HG2% H 1 0.69 0.02 A 14 ILE C C 13 179.34 0.05 A 14 ILE CA C 13 64.42 0.05 A 14 ILE CB C 13 37.35 0.05 A 14 ILE CD1 C 13 13.84 0.05 A 14 ILE CG1 C 13 28.87 0.05 A 14 ILE CG2 C 13 17.12 0.05 A 14 ILE N N 15 121.7 0.1 A 15 ILE H H 1 7.66 0.02 A 15 ILE HA H 1 3.6 0.02 A 15 ILE HB H 1 1.47 0.02 A 15 ILE HD1% H 1 -0.35 0.02 A 15 ILE HG12 H 1 0.5 0.02 A 15 ILE HG13 H 1 0.52 0.02 A 15 ILE HG2% H 1 0.22 0.02 A 15 ILE C C 13 176.98 0.05 A 15 ILE CA C 13 63.33 0.05 A 15 ILE CB C 13 36.53 0.05 A 15 ILE CD1 C 13 11.1 0.05 A 15 ILE CG1 C 13 27.51 0.05 A 15 ILE CG2 C 13 17.39 0.05 A 15 ILE N N 15 116.9 0.1 A 16 SER H H 1 7.65 0.02 A 16 SER HA H 1 4.26 0.02 A 16 SER HB2 H 1 3.94 0.02 A 16 SER HB3 H 1 3.98 0.02 A 16 SER C C 13 176.52 0.05 A 16 SER CA C 13 59.77 0.05 A 16 SER CB C 13 63.33 0.05 A 16 SER N N 15 111.4 0.1 A 17 GLN H H 1 7.46 0.02 A 17 GLN HA H 1 4.38 0.02 A 17 GLN HB2 H 1 1.88 0.02 A 17 GLN HB3 H 1 2.19 0.02 A 17 GLN HE21 H 1 7.36 0.02 A 17 GLN HE22 H 1 6.78 0.02 A 17 GLN HG2 H 1 2.34 0.02 A 17 GLN HG3 H 1 2.54 0.02 A 17 GLN C C 13 174.95 0.05 A 17 GLN CA C 13 55.94 0.05 A 17 GLN CB C 13 29.7 0.05 A 17 GLN CG C 13 34.07 0.05 A 17 GLN N N 15 117.1 0.1 A 18 ASN H H 1 7.04 0.02 A 18 ASN HA H 1 5 0.02 A 18 ASN HB2 H 1 2.34 0.02 A 18 ASN HB3 H 1 2.38 0.02 A 18 ASN HD21 H 1 8.64 0.02 A 18 ASN HD22 H 1 7.63 0.02 A 18 ASN C C 13 173.49 0.05 A 18 ASN CA C 13 52.12 0.05 A 18 ASN CB C 13 42.27 0.05 A 18 ASN N N 15 116.2 0.1 A 19 GLU H H 1 9.03 0.02 A 19 GLU HA H 1 4 0.02 A 19 GLU HB2 H 1 2.1 0.02 A 19 GLU HB3 H 1 2.19 0.02 A 19 GLU HG2 H 1 2.31 0.02 A 19 GLU HG3 H 1 2.46 0.02 A 19 GLU C C 13 176.07 0.05 A 19 GLU CA C 13 59.77 0.05 A 19 GLU CB C 13 29.97 0.05 A 19 GLU CG C 13 35.71 0.05 A 19 GLU N N 15 123.1 0.1 A 20 LEU H H 1 8.35 0.02 A 20 LEU HA H 1 5.46 0.02 A 20 LEU HBx H 1 1.66 0.02 A 20 LEU HBy H 1 1.66 0.02 A 20 LEU HD1% H 1 0.93 0.02 A 20 LEU HD2% H 1 0.89 0.02 A 20 LEU HG H 1 1.44 0.02 A 20 LEU C C 13 175.36 0.05 A 20 LEU CA C 13 53.76 0.05 A 20 LEU CB C 13 45.55 0.05 A 20 LEU CD1 C 13 24.77 0.05 A 20 LEU CD2 C 13 24.23 0.05 A 20 LEU CG C 13 27.23 0.05 A 20 LEU N N 15 118.7 0.1 A 21 VAL H H 1 9 0.02 A 21 VAL HA H 1 5.06 0.02 A 21 VAL HB H 1 1.73 0.02 A 21 VAL HG1% H 1 0.71 0.02 A 21 VAL HG2% H 1 0.61 0.02 A 21 VAL C C 13 173.19 0.05 A 21 VAL CA C 13 59.77 0.05 A 21 VAL CB C 13 37.08 0.05 A 21 VAL CG1 C 13 22.59 0.05 A 21 VAL CG2 C 13 21.22 0.05 A 21 VAL N N 15 127.3 0.1 A 22 ILE H H 1 9.34 0.02 A 22 ILE HA H 1 5.52 0.02 A 22 ILE HB H 1 1.59 0.02 A 22 ILE HD1% H 1 0.61 0.02 A 22 ILE HG12 H 1 1.42 0.02 A 22 ILE HG13 H 1 1.59 0.02 A 22 ILE HG2% H 1 0.14 0.02 A 22 ILE C C 13 171.64 0.05 A 22 ILE CA C 13 58.41 0.05 A 22 ILE CB C 13 40.91 0.05 A 22 ILE CD1 C 13 14.38 0.05 A 22 ILE CG1 C 13 28.05 0.05 A 22 ILE CG2 C 13 14.11 0.05 A 22 ILE N N 15 126.6 0.1 A 23 VAL H H 1 8.88 0.02 A 23 VAL HA H 1 4.37 0.02 A 23 VAL HB H 1 1.93 0.02 A 23 VAL HG1% H 1 0.77 0.02 A 23 VAL HG2% H 1 -0.01 0.02 A 23 VAL C C 13 174.09 0.05 A 23 VAL CA C 13 59.77 0.05 A 23 VAL CB C 13 34.89 0.05 A 23 VAL CG1 C 13 21.49 0.05 A 23 VAL CG2 C 13 20.67 0.05 A 23 VAL N N 15 124.3 0.1 A 24 ASP H H 1 7.47 0.02 A 24 ASP HA H 1 4.39 0.02 A 24 ASP HB2 H 1 1.77 0.02 A 24 ASP HB3 H 1 2.53 0.02 A 24 ASP C C 13 174.78 0.05 A 24 ASP CA C 13 50.48 0.05 A 24 ASP CB C 13 39.27 0.05 A 24 ASP N N 15 123.5 0.1 A 25 PHE H H 1 9 0.02 A 25 PHE HA H 1 5.12 0.02 A 25 PHE HB2 H 1 2.53 0.02 A 25 PHE HB3 H 1 3.11 0.02 A 25 PHE HDx H 1 7.04 0.02 A 25 PHE HDy H 1 7.04 0.02 A 25 PHE HEx H 1 7 0.02 A 25 PHE HEy H 1 7 0.02 A 25 PHE HZ H 1 7.31 0.02 A 25 PHE C C 13 173.13 0.05 A 25 PHE CA C 13 57.31 0.05 A 25 PHE CB C 13 38.17 0.05 A 25 PHE N N 15 126.2 0.1 A 26 PHE H H 1 8.7 0.02 A 26 PHE HA H 1 5.12 0.02 A 26 PHE HB2 H 1 2.43 0.02 A 26 PHE HB3 H 1 3 0.02 A 26 PHE HDx H 1 6.91 0.02 A 26 PHE HDy H 1 6.91 0.02 A 26 PHE HEx H 1 7.04 0.02 A 26 PHE HEy H 1 7.04 0.02 A 26 PHE HZ H 1 7.29 0.02 A 26 PHE C C 13 170.5 0.05 A 26 PHE CA C 13 54.3 0.05 A 26 PHE CB C 13 42.82 0.05 A 26 PHE N N 15 120.5 0.1 A 27 ALA H H 1 6.23 0.02 A 27 ALA HA H 1 4.24 0.02 A 27 ALA HB% H 1 0.26 0.02 A 27 ALA C C 13 178.72 0.05 A 27 ALA CA C 13 49.93 0.05 A 27 ALA CB C 13 22.04 0.05 A 27 ALA N N 15 117.4 0.1 A 28 GLU H H 1 9.91 0.02 A 28 GLU HA H 1 4.1 0.02 A 28 GLU HBx H 1 2.05 0.02 A 28 GLU HBy H 1 2.05 0.02 A 28 GLU HGx H 1 2.33 0.02 A 28 GLU HGy H 1 2.33 0.02 A 28 GLU C C 13 176.05 0.05 A 28 GLU CA C 13 58.41 0.05 A 28 GLU CB C 13 29.15 0.05 A 28 GLU CG C 13 35.16 0.05 A 28 GLU N N 15 125 0.1 A 29 TRP H H 1 6.56 0.02 A 29 TRP HA H 1 4.55 0.02 A 29 TRP HB2 H 1 3.16 0.02 A 29 TRP HB3 H 1 3.58 0.02 A 29 TRP HD1 H 1 7.36 0.02 A 29 TRP HE1 H 1 11.21 0.02 A 29 TRP HE3 H 1 7.39 0.02 A 29 TRP HH2 H 1 7.12 0.02 A 29 TRP HZ2 H 1 7.45 0.02 A 29 TRP HZ3 H 1 7.39 0.02 A 29 TRP C C 13 175.81 0.05 A 29 TRP CA C 13 53.21 0.05 A 29 TRP CB C 13 28.33 0.05 A 29 TRP N N 15 111.7 0.1 A 30 CYS H H 1 6.71 0.02 A 30 CYS HB2 H 1 1.57 0.02 A 30 CYS HB3 H 1 2.42 0.02 A 30 CYS C C 13 176.8 0.05 A 30 CYS N N 15 120.5 0.1 A 31 GLY H H 1 7.85 0.02 A 31 GLY HA2 H 1 4.07 0.02 A 31 GLY HA3 H 1 4.32 0.02 A 31 GLY CA C 13 48.29 0.05 A 31 GLY N N 15 115.6 0.1 A 32 PRO HA H 1 4.32 0.02 A 32 PRO HB2 H 1 1.8 0.02 A 32 PRO HB3 H 1 2.6 0.02 A 32 PRO HD2 H 1 3.88 0.02 A 32 PRO HD3 H 1 3.97 0.02 A 32 PRO HG2 H 1 2.07 0.02 A 32 PRO HG3 H 1 2.21 0.02 A 32 PRO C C 13 177.81 0.05 A 32 PRO CA C 13 64.97 0.05 A 32 PRO CB C 13 32.43 0.05 A 32 PRO CD C 13 51.84 0.05 A 32 PRO CG C 13 28.05 0.05 A 33 CYS H H 1 8.13 0.02 A 33 CYS HA H 1 4.23 0.02 A 33 CYS HB2 H 1 4.19 0.02 A 33 CYS HB3 H 1 3.15 0.02 A 33 CYS C C 13 176.11 0.05 A 33 CYS CA C 13 63.05 0.05 A 33 CYS CB C 13 34.07 0.05 A 33 CYS N N 15 109.8 0.1 A 34 LYS H H 1 7.81 0.02 A 34 LYS HA H 1 4.07 0.02 A 34 LYS HB2 H 1 1.98 0.02 A 34 LYS HB3 H 1 2.09 0.02 A 34 LYS HD2 H 1 1.71 0.02 A 34 LYS HD3 H 1 1.78 0.02 A 34 LYS HE2 H 1 3.02 0.02 A 34 LYS HE3 H 1 3.08 0.02 A 34 LYS HG2 H 1 1.51 0.02 A 34 LYS HG3 H 1 1.56 0.02 A 34 LYS C C 13 179.16 0.05 A 34 LYS CA C 13 58.68 0.05 A 34 LYS CB C 13 31.61 0.05 A 34 LYS CD C 13 28.6 0.05 A 34 LYS CE C 13 41.73 0.05 A 34 LYS CG C 13 25.05 0.05 A 34 LYS N N 15 121.3 0.1 A 35 ARG H H 1 7.81 0.02 A 35 ARG HA H 1 4.1 0.02 A 35 ARG HB2 H 1 1.95 0.02 A 35 ARG HB3 H 1 2.02 0.02 A 35 ARG HD2 H 1 3.24 0.02 A 35 ARG HD3 H 1 3.29 0.02 A 35 ARG HG2 H 1 1.72 0.02 A 35 ARG HG3 H 1 1.82 0.02 A 35 ARG C C 13 178.05 0.05 A 35 ARG CA C 13 58.68 0.05 A 35 ARG CB C 13 29.42 0.05 A 35 ARG CD C 13 42.55 0.05 A 35 ARG CG C 13 26.69 0.05 A 35 ARG N N 15 118.9 0.1 A 36 ILE H H 1 7.47 0.02 A 36 ILE HA H 1 4.69 0.02 A 36 ILE HB H 1 1.88 0.02 A 36 ILE HD1% H 1 0.86 0.02 A 36 ILE HG12 H 1 1.61 0.02 A 36 ILE HG13 H 1 2.04 0.02 A 36 ILE HG2% H 1 1.2 0.02 A 36 ILE C C 13 175.06 0.05 A 36 ILE CA C 13 60.32 0.05 A 36 ILE CB C 13 40.63 0.05 A 36 ILE CD1 C 13 14.66 0.05 A 36 ILE CG1 C 13 31.06 0.05 A 36 ILE CG2 C 13 16.57 0.05 A 36 ILE N N 15 115.2 0.1 A 37 ALA H H 1 7.3 0.02 A 37 ALA HA H 1 4.22 0.02 A 37 ALA HB% H 1 1.51 0.02 A 37 ALA CA C 13 56.49 0.05 A 37 ALA CB C 13 15.2 0.05 A 37 ALA N N 15 126.1 0.1 A 38 PRO HA H 1 4.44 0.02 A 38 PRO HB2 H 1 2 0.02 A 38 PRO HB3 H 1 2.4 0.02 A 38 PRO HDx H 1 3.83 0.02 A 38 PRO HDy H 1 3.83 0.02 A 38 PRO HG2 H 1 2.01 0.02 A 38 PRO HG3 H 1 2.19 0.02 A 38 PRO C C 13 179.34 0.05 A 38 PRO CA C 13 65.79 0.05 A 38 PRO CB C 13 30.52 0.05 A 38 PRO CD C 13 50.48 0.05 A 38 PRO CG C 13 28.05 0.05 A 39 PHE H H 1 7.7 0.02 A 39 PHE HA H 1 4.51 0.02 A 39 PHE HB2 H 1 3.11 0.02 A 39 PHE HB3 H 1 3.47 0.02 A 39 PHE HDx H 1 7.19 0.02 A 39 PHE HDy H 1 7.19 0.02 A 39 PHE HEx H 1 7.29 0.02 A 39 PHE HEy H 1 7.29 0.02 A 39 PHE HZ H 1 7.03 0.02 A 39 PHE C C 13 177.84 0.05 A 39 PHE CA C 13 60.32 0.05 A 39 PHE CB C 13 38.99 0.05 A 39 PHE N N 15 120.8 0.1 A 40 TYR H H 1 8.59 0.02 A 40 TYR HA H 1 3.94 0.02 A 40 TYR HB2 H 1 3 0.02 A 40 TYR HB3 H 1 3.37 0.02 A 40 TYR HDx H 1 7.25 0.02 A 40 TYR HDy H 1 7.25 0.02 A 40 TYR HEx H 1 6.92 0.02 A 40 TYR HEy H 1 6.92 0.02 A 40 TYR C C 13 176.78 0.05 A 40 TYR CA C 13 62.23 0.05 A 40 TYR CB C 13 38.45 0.05 A 40 TYR N N 15 122.8 0.1 A 41 GLU H H 1 8.09 0.02 A 41 GLU HA H 1 3.62 0.02 A 41 GLU HBx H 1 2.14 0.02 A 41 GLU HBy H 1 2.14 0.02 A 41 GLU HGx H 1 2.19 0.02 A 41 GLU HGy H 1 2.19 0.02 A 41 GLU C C 13 179.85 0.05 A 41 GLU CA C 13 58.68 0.05 A 41 GLU CB C 13 28.6 0.05 A 41 GLU CG C 13 35.71 0.05 A 41 GLU N N 15 116.7 0.1 A 42 GLU H H 1 8.3 0.02 A 42 GLU HA H 1 3.83 0.02 A 42 GLU HB2 H 1 2.05 0.02 A 42 GLU HB3 H 1 2.13 0.02 A 42 GLU HG2 H 1 2.21 0.02 A 42 GLU HG3 H 1 2.26 0.02 A 42 GLU C C 13 180.2 0.05 A 42 GLU CA C 13 59.5 0.05 A 42 GLU CB C 13 28.6 0.05 A 42 GLU CG C 13 35.44 0.05 A 42 GLU N N 15 122.8 0.1 A 43 CYS H H 1 8.29 0.02 A 43 CYS HA H 1 3.93 0.02 A 43 CYS HB2 H 1 2.49 0.02 A 43 CYS HB3 H 1 3.05 0.02 A 43 CYS C C 13 176.24 0.05 A 43 CYS CA C 13 64.15 0.05 A 43 CYS CB C 13 26.69 0.05 A 43 CYS N N 15 117.7 0.1 A 44 SER H H 1 7.23 0.02 A 44 SER HA H 1 3.62 0.02 A 44 SER HB2 H 1 2.75 0.02 A 44 SER HB3 H 1 2.89 0.02 A 44 SER HG H 1 5.78 0.02 A 44 SER C C 13 174.54 0.05 A 44 SER CA C 13 61.14 0.05 A 44 SER CB C 13 62.23 0.05 A 44 SER N N 15 118.7 0.1 A 45 LYS H H 1 6.63 0.02 A 45 LYS HA H 1 3.94 0.02 A 45 LYS HB2 H 1 1.7 0.02 A 45 LYS HB3 H 1 1.78 0.02 A 45 LYS HDx H 1 1.53 0.02 A 45 LYS HDy H 1 1.53 0.02 A 45 LYS HEx H 1 2.79 0.02 A 45 LYS HEy H 1 2.79 0.02 A 45 LYS HG2 H 1 1.28 0.02 A 45 LYS HG3 H 1 1.4 0.02 A 45 LYS C C 13 177.13 0.05 A 45 LYS CA C 13 57.04 0.05 A 45 LYS CB C 13 32.43 0.05 A 45 LYS CD C 13 28.87 0.05 A 45 LYS CE C 13 41.73 0.05 A 45 LYS CG C 13 24.77 0.05 A 45 LYS N N 15 118.7 0.1 A 46 THR H H 1 7.15 0.02 A 46 THR HA H 1 3.95 0.02 A 46 THR HB H 1 3.6 0.02 A 46 THR HG2% H 1 0.45 0.02 A 46 THR C C 13 174.91 0.05 A 46 THR CA C 13 63.87 0.05 A 46 THR CB C 13 69.89 0.05 A 46 THR CG2 C 13 20.13 0.05 A 46 THR N N 15 114.3 0.1 A 47 TYR H H 1 7.91 0.02 A 47 TYR HA H 1 4.92 0.02 A 47 TYR HB2 H 1 2.88 0.02 A 47 TYR HB3 H 1 2.99 0.02 A 47 TYR HDx H 1 7.26 0.02 A 47 TYR HDy H 1 7.26 0.02 A 47 TYR HEx H 1 6.78 0.02 A 47 TYR HEy H 1 6.78 0.02 A 47 TYR C C 13 176.61 0.05 A 47 TYR CA C 13 57.31 0.05 A 47 TYR CB C 13 35.44 0.05 A 47 TYR N N 15 123.6 0.1 A 48 THR H H 1 7.19 0.02 A 48 THR HA H 1 4.3 0.02 A 48 THR HB H 1 4.45 0.02 A 48 THR HG2% H 1 1.12 0.02 A 48 THR C C 13 176.37 0.05 A 48 THR CA C 13 63.05 0.05 A 48 THR CB C 13 68.52 0.05 A 48 THR CG2 C 13 21.77 0.05 A 48 THR N N 15 107.7 0.1 A 49 LYS H H 1 8.76 0.02 A 49 LYS HA H 1 4.3 0.02 A 49 LYS HB2 H 1 1.81 0.02 A 49 LYS HB3 H 1 1.97 0.02 A 49 LYS HDx H 1 1.69 0.02 A 49 LYS HDy H 1 1.69 0.02 A 49 LYS HEx H 1 2.99 0.02 A 49 LYS HEy H 1 2.99 0.02 A 49 LYS HG2 H 1 1.5 0.02 A 49 LYS HG3 H 1 1.63 0.02 A 49 LYS HZ1 H 1 7.83 0.02 A 49 LYS HZ2 H 1 7.83 0.02 A 49 LYS HZ3 H 1 7.83 0.02 A 49 LYS C C 13 174.98 0.05 A 49 LYS CA C 13 57.59 0.05 A 49 LYS CB C 13 32.43 0.05 A 49 LYS CD C 13 28.87 0.05 A 49 LYS CE C 13 41.45 0.05 A 49 LYS CG C 13 25.59 0.05 A 49 LYS N N 15 120.9 0.1 A 50 MET H H 1 7.83 0.02 A 50 MET HA H 1 4.56 0.02 A 50 MET HB2 H 1 1.71 0.02 A 50 MET HB3 H 1 1.98 0.02 A 50 MET HE% H 1 2.05 0.02 A 50 MET HG2 H 1 1.78 0.02 A 50 MET HG3 H 1 1.98 0.02 A 50 MET C C 13 173.16 0.05 A 50 MET CA C 13 53.48 0.05 A 50 MET CB C 13 38.17 0.05 A 50 MET CG C 13 31.34 0.05 A 50 MET N N 15 119 0.1 A 51 VAL H H 1 8.23 0.02 A 51 VAL HA H 1 4.22 0.02 A 51 VAL HB H 1 1.99 0.02 A 51 VAL HG1% H 1 0.94 0.02 A 51 VAL HG2% H 1 0.83 0.02 A 51 VAL C C 13 174.71 0.05 A 51 VAL CA C 13 61.69 0.05 A 51 VAL CB C 13 32.16 0.05 A 51 VAL CG1 C 13 22.04 0.05 A 51 VAL CG2 C 13 21.77 0.05 A 51 VAL N N 15 126.5 0.1 A 52 PHE H H 1 9.55 0.02 A 52 PHE HA H 1 5.16 0.02 A 52 PHE HB2 H 1 2.21 0.02 A 52 PHE HB3 H 1 3.28 0.02 A 52 PHE HDx H 1 6.6 0.02 A 52 PHE HDy H 1 6.6 0.02 A 52 PHE HEx H 1 7.12 0.02 A 52 PHE HEy H 1 7.12 0.02 A 52 PHE HZ H 1 6.85 0.02 A 52 PHE C C 13 175.92 0.05 A 52 PHE CA C 13 55.67 0.05 A 52 PHE CB C 13 40.09 0.05 A 52 PHE N N 15 129.1 0.1 A 53 ILE H H 1 8.99 0.02 A 53 ILE HA H 1 5.67 0.02 A 53 ILE HB H 1 2.06 0.02 A 53 ILE HD1% H 1 0.61 0.02 A 53 ILE HG12 H 1 1.06 0.02 A 53 ILE HG13 H 1 1.16 0.02 A 53 ILE HG2% H 1 0.91 0.02 A 53 ILE C C 13 176.78 0.05 A 53 ILE CA C 13 58.41 0.05 A 53 ILE CB C 13 42 0.05 A 53 ILE CD1 C 13 13.02 0.05 A 53 ILE CG1 C 13 26.69 0.05 A 53 ILE CG2 C 13 18.76 0.05 A 53 ILE N N 15 114.9 0.1 A 54 LYS H H 1 8.99 0.02 A 54 LYS HA H 1 5.31 0.02 A 54 LYS HB2 H 1 1.83 0.02 A 54 LYS HB3 H 1 1.86 0.02 A 54 LYS HDx H 1 1.29 0.02 A 54 LYS HDy H 1 1.29 0.02 A 54 LYS HE2 H 1 2.33 0.02 A 54 LYS HE3 H 1 2.38 0.02 A 54 LYS HG2 H 1 1.42 0.02 A 54 LYS HG3 H 1 1.44 0.02 A 54 LYS C C 13 172.72 0.05 A 54 LYS CA C 13 54.85 0.05 A 54 LYS CB C 13 36.26 0.05 A 54 LYS CD C 13 29.42 0.05 A 54 LYS CE C 13 41.18 0.05 A 54 LYS CG C 13 24.23 0.05 A 54 LYS N N 15 123 0.1 A 55 VAL H H 1 8.75 0.02 A 55 VAL HA H 1 4.24 0.02 A 55 VAL HB H 1 1.49 0.02 A 55 VAL HGx% H 1 0.61 0.02 A 55 VAL HGy% H 1 0.61 0.02 A 55 VAL C C 13 171.9 0.05 A 55 VAL CA C 13 60.87 0.05 A 55 VAL CB C 13 35.98 0.05 A 55 VAL CG1 C 13 21.49 0.05 A 55 VAL CG2 C 13 20.4 0.05 A 55 VAL N N 15 121.7 0.1 A 56 ASP H H 1 9.06 0.02 A 56 ASP HA H 1 3.73 0.02 A 56 ASP HB2 H 1 2.02 0.02 A 56 ASP HB3 H 1 2.81 0.02 A 56 ASP C C 13 177.9 0.05 A 56 ASP CA C 13 51.57 0.05 A 56 ASP CB C 13 40.09 0.05 A 56 ASP N N 15 129.1 0.1 A 57 VAL H H 1 8.54 0.02 A 57 VAL HA H 1 3.73 0.02 A 57 VAL HB H 1 2.23 0.02 A 57 VAL HG1% H 1 0.97 0.02 A 57 VAL HG2% H 1 0.8 0.02 A 57 VAL C C 13 177.83 0.05 A 57 VAL CA C 13 62.78 0.05 A 57 VAL CB C 13 30.79 0.05 A 57 VAL CG1 C 13 22.04 0.05 A 57 VAL CG2 C 13 16.84 0.05 A 57 VAL N N 15 120.1 0.1 A 58 ASP H H 1 8.51 0.02 A 58 ASP HA H 1 4.64 0.02 A 58 ASP HB2 H 1 2.72 0.02 A 58 ASP HB3 H 1 2.81 0.02 A 58 ASP C C 13 179.49 0.05 A 58 ASP CA C 13 55.67 0.05 A 58 ASP CB C 13 40.63 0.05 A 58 ASP N N 15 119.8 0.1 A 59 GLU H H 1 7.73 0.02 A 59 GLU HA H 1 4.26 0.02 A 59 GLU HB2 H 1 1.89 0.02 A 59 GLU HB3 H 1 2.3 0.02 A 59 GLU HG2 H 1 2.2 0.02 A 59 GLU HG3 H 1 2.3 0.02 A 59 GLU C C 13 177.14 0.05 A 59 GLU CA C 13 57.04 0.05 A 59 GLU CB C 13 30.79 0.05 A 59 GLU CG C 13 35.44 0.05 A 59 GLU N N 15 120.5 0.1 A 60 VAL H H 1 7.7 0.02 A 60 VAL HA H 1 4.44 0.02 A 60 VAL HB H 1 2 0.02 A 60 VAL HG1% H 1 0.74 0.02 A 60 VAL HG2% H 1 0.83 0.02 A 60 VAL C C 13 176.19 0.05 A 60 VAL CA C 13 58.95 0.05 A 60 VAL CB C 13 28.87 0.05 A 60 VAL CG1 C 13 23.68 0.05 A 60 VAL CG2 C 13 20.67 0.05 A 60 VAL N N 15 120.6 0.1 A 61 SER H H 1 7.87 0.02 A 61 SER HA H 1 4.13 0.02 A 61 SER HBx H 1 3.92 0.02 A 61 SER HBy H 1 3.92 0.02 A 61 SER C C 13 176.74 0.05 A 61 SER CA C 13 62.23 0.05 A 61 SER CB C 13 62.51 0.05 A 61 SER N N 15 118.8 0.1 A 62 GLU H H 1 9.65 0.02 A 62 GLU HA H 1 4.13 0.02 A 62 GLU HB2 H 1 1.92 0.02 A 62 GLU HB3 H 1 2.04 0.02 A 62 GLU HG2 H 1 2.37 0.02 A 62 GLU HG3 H 1 2.43 0.02 A 62 GLU C C 13 179.64 0.05 A 62 GLU CA C 13 59.5 0.05 A 62 GLU CB C 13 29.42 0.05 A 62 GLU CG C 13 36.53 0.05 A 62 GLU N N 15 121.5 0.1 A 63 VAL H H 1 7.14 0.02 A 63 VAL HA H 1 3.7 0.02 A 63 VAL HB H 1 1.88 0.02 A 63 VAL HG1% H 1 0.63 0.02 A 63 VAL HG2% H 1 0.33 0.02 A 63 VAL C C 13 176.35 0.05 A 63 VAL CA C 13 64.69 0.05 A 63 VAL CB C 13 31.06 0.05 A 63 VAL CG1 C 13 22.86 0.05 A 63 VAL CG2 C 13 20.67 0.05 A 63 VAL N N 15 117.8 0.1 A 64 THR H H 1 7.67 0.02 A 64 THR HA H 1 3.31 0.02 A 64 THR HB H 1 4.26 0.02 A 64 THR HG2% H 1 1.12 0.02 A 64 THR C C 13 175.92 0.05 A 64 THR CA C 13 66.06 0.05 A 64 THR CB C 13 67.43 0.05 A 64 THR CG2 C 13 22.31 0.05 A 64 THR N N 15 116.9 0.1 A 65 GLU H H 1 7.83 0.02 A 65 GLU HA H 1 4.11 0.02 A 65 GLU HBx H 1 1.99 0.02 A 65 GLU HBy H 1 1.99 0.02 A 65 GLU HG2 H 1 2.2 0.02 A 65 GLU HG3 H 1 2.31 0.02 A 65 GLU C C 13 179.42 0.05 A 65 GLU CA C 13 58.41 0.05 A 65 GLU CB C 13 29.42 0.05 A 65 GLU CG C 13 35.71 0.05 A 65 GLU N N 15 118.3 0.1 A 66 LYS H H 1 7.71 0.02 A 66 LYS HA H 1 4.07 0.02 A 66 LYS HB2 H 1 1.9 0.02 A 66 LYS HB3 H 1 1.99 0.02 A 66 LYS HDx H 1 1.71 0.02 A 66 LYS HDy H 1 1.71 0.02 A 66 LYS HEx H 1 3.01 0.02 A 66 LYS HEy H 1 3.01 0.02 A 66 LYS HGx H 1 1.57 0.02 A 66 LYS HGy H 1 1.57 0.02 A 66 LYS C C 13 178.33 0.05 A 66 LYS CA C 13 58.95 0.05 A 66 LYS CB C 13 32.43 0.05 A 66 LYS CD C 13 28.87 0.05 A 66 LYS CE C 13 41.45 0.05 A 66 LYS CG C 13 24.77 0.05 A 66 LYS N N 15 120.6 0.1 A 67 GLU H H 1 8.2 0.02 A 67 GLU HA H 1 4.24 0.02 A 67 GLU HB2 H 1 1.43 0.02 A 67 GLU HB3 H 1 1.88 0.02 A 67 GLU HGx H 1 2.26 0.02 A 67 GLU HGy H 1 2.26 0.02 A 67 GLU C C 13 175.12 0.05 A 67 GLU CA C 13 54.58 0.05 A 67 GLU CB C 13 28.6 0.05 A 67 GLU CG C 13 36.53 0.05 A 67 GLU N N 15 113.7 0.1 A 68 ASN H H 1 7.6 0.02 A 68 ASN HA H 1 4.24 0.02 A 68 ASN HB2 H 1 2.52 0.02 A 68 ASN HB3 H 1 3.04 0.02 A 68 ASN HD21 H 1 7.47 0.02 A 68 ASN HD22 H 1 6.67 0.02 A 68 ASN C C 13 173.64 0.05 A 68 ASN CA C 13 53.21 0.05 A 68 ASN CB C 13 36.53 0.05 A 68 ASN N N 15 117.1 0.1 A 69 ILE H H 1 7.89 0.02 A 69 ILE HA H 1 4.11 0.02 A 69 ILE HB H 1 1.93 0.02 A 69 ILE HD1% H 1 -0.29 0.02 A 69 ILE HG12 H 1 0.25 0.02 A 69 ILE HG13 H 1 1.1 0.02 A 69 ILE HG2% H 1 0.69 0.02 A 69 ILE C C 13 177.17 0.05 A 69 ILE CA C 13 58.41 0.05 A 69 ILE CB C 13 34.34 0.05 A 69 ILE CD1 C 13 8.09 0.05 A 69 ILE CG1 C 13 26.14 0.05 A 69 ILE CG2 C 13 17.12 0.05 A 69 ILE N N 15 118.8 0.1 A 70 THR H H 1 8.84 0.02 A 70 THR HA H 1 4.43 0.02 A 70 THR HB H 1 4.37 0.02 A 70 THR HG2% H 1 1.04 0.02 A 70 THR C C 13 174.05 0.05 A 70 THR CA C 13 61.14 0.05 A 70 THR CB C 13 70.16 0.05 A 70 THR CG2 C 13 20.95 0.05 A 70 THR N N 15 118.4 0.1 A 71 SER H H 1 7.68 0.02 A 71 SER HA H 1 4.37 0.02 A 71 SER HB2 H 1 3.7 0.02 A 71 SER HB3 H 1 3.78 0.02 A 71 SER HG H 1 5.48 0.02 A 71 SER C C 13 172.98 0.05 A 71 SER CA C 13 57.86 0.05 A 71 SER CB C 13 63.33 0.05 A 71 SER N N 15 117 0.1 A 72 MET H H 1 8.75 0.02 A 72 MET HA H 1 5 0.02 A 72 MET HB2 H 1 2.21 0.02 A 72 MET HB3 H 1 2.4 0.02 A 72 MET HE% H 1 2.05 0.02 A 72 MET HG2 H 1 1.77 0.02 A 72 MET HG3 H 1 2.01 0.02 A 72 MET CA C 13 51.84 0.05 A 72 MET CB C 13 32.7 0.05 A 72 MET CG C 13 33.52 0.05 A 72 MET N N 15 121.6 0.1 A 73 PRO HA H 1 5.14 0.02 A 73 PRO HB2 H 1 1.53 0.02 A 73 PRO HB3 H 1 2.3 0.02 A 73 PRO HD2 H 1 3.37 0.02 A 73 PRO HD3 H 1 3.7 0.02 A 73 PRO HG2 H 1 1.72 0.02 A 73 PRO HG3 H 1 1.87 0.02 A 73 PRO C C 13 176.73 0.05 A 73 PRO CA C 13 63.6 0.05 A 73 PRO CB C 13 34.07 0.05 A 73 PRO CD C 13 49.66 0.05 A 74 THR H H 1 8.11 0.02 A 74 THR HA H 1 4.91 0.02 A 74 THR HB H 1 3.9 0.02 A 74 THR HG1 H 1 5.46 0.02 A 74 THR HG2% H 1 1.16 0.02 A 74 THR C C 13 171.58 0.05 A 74 THR CA C 13 62.78 0.05 A 74 THR CB C 13 72.35 0.05 A 74 THR CG2 C 13 21.49 0.05 A 74 THR N N 15 116.3 0.1 A 75 PHE H H 1 9.66 0.02 A 75 PHE HA H 1 6.27 0.02 A 75 PHE HB2 H 1 2.74 0.02 A 75 PHE HB3 H 1 2.96 0.02 A 75 PHE HDx H 1 7.04 0.02 A 75 PHE HDy H 1 7.04 0.02 A 75 PHE HEx H 1 6.91 0.02 A 75 PHE HEy H 1 6.91 0.02 A 75 PHE C C 13 175.97 0.05 A 75 PHE CA C 13 55.4 0.05 A 75 PHE CB C 13 41.18 0.05 A 75 PHE N N 15 124.7 0.1 A 76 LYS H H 1 8.88 0.02 A 76 LYS HA H 1 5.45 0.02 A 76 LYS HB2 H 1 1.66 0.02 A 76 LYS HB3 H 1 1.91 0.02 A 76 LYS HD2 H 1 1.73 0.02 A 76 LYS HD3 H 1 1.78 0.02 A 76 LYS HE2 H 1 2.81 0.02 A 76 LYS HE3 H 1 2.83 0.02 A 76 LYS HG2 H 1 1.53 0.02 A 76 LYS HG3 H 1 1.78 0.02 A 76 LYS C C 13 174.44 0.05 A 76 LYS CA C 13 55.12 0.05 A 76 LYS CB C 13 37.62 0.05 A 76 LYS CD C 13 29.15 0.05 A 76 LYS CE C 13 41.45 0.05 A 76 LYS CG C 13 26.14 0.05 A 76 LYS N N 15 120.1 0.1 A 77 VAL H H 1 8.04 0.02 A 77 VAL HA H 1 4.79 0.02 A 77 VAL HB H 1 1.23 0.02 A 77 VAL HG1% H 1 0.67 0.02 A 77 VAL HG2% H 1 0.04 0.02 A 77 VAL C C 13 174.22 0.05 A 77 VAL CA C 13 60.59 0.05 A 77 VAL CB C 13 33.52 0.05 A 77 VAL CG1 C 13 20.95 0.05 A 77 VAL CG2 C 13 19.58 0.05 A 77 VAL N N 15 120.8 0.1 A 78 TYR H H 1 9.86 0.02 A 78 TYR HA H 1 4.86 0.02 A 78 TYR HB2 H 1 2.38 0.02 A 78 TYR HB3 H 1 2.68 0.02 A 78 TYR HDx H 1 6.63 0.02 A 78 TYR HDy H 1 6.63 0.02 A 78 TYR HEx H 1 6.78 0.02 A 78 TYR HEy H 1 6.78 0.02 A 78 TYR C C 13 173.84 0.05 A 78 TYR CA C 13 56.22 0.05 A 78 TYR CB C 13 40.36 0.05 A 78 TYR N N 15 128.2 0.1 A 79 LYS H H 1 8.69 0.02 A 79 LYS HA H 1 5.63 0.02 A 79 LYS HB2 H 1 1.27 0.02 A 79 LYS HB3 H 1 1.83 0.02 A 79 LYS HDx H 1 1.79 0.02 A 79 LYS HDy H 1 1.79 0.02 A 79 LYS HEx H 1 3.08 0.02 A 79 LYS HEy H 1 3.08 0.02 A 79 LYS HG2 H 1 1.38 0.02 A 79 LYS HG3 H 1 1.44 0.02 A 79 LYS C C 13 177 0.05 A 79 LYS CA C 13 53.21 0.05 A 79 LYS CB C 13 36.26 0.05 A 79 LYS CD C 13 29.42 0.05 A 79 LYS CE C 13 41.73 0.05 A 79 LYS CG C 13 25.05 0.05 A 79 LYS N N 15 121.8 0.1 A 80 ASN H H 1 10.15 0.02 A 80 ASN HA H 1 4.58 0.02 A 80 ASN HB2 H 1 2.85 0.02 A 80 ASN HB3 H 1 3.1 0.02 A 80 ASN HD21 H 1 7.17 0.02 A 80 ASN HD22 H 1 7.81 0.02 A 80 ASN C C 13 176.17 0.05 A 80 ASN CA C 13 54.58 0.05 A 80 ASN CB C 13 37.35 0.05 A 80 ASN N N 15 125.5 0.1 A 81 GLY H H 1 9.52 0.02 A 81 GLY HA2 H 1 3.55 0.02 A 81 GLY HA3 H 1 4.23 0.02 A 81 GLY C C 13 174.25 0.05 A 81 GLY CA C 13 45.01 0.05 A 81 GLY N N 15 104.9 0.1 A 82 SER H H 1 7.63 0.02 A 82 SER HA H 1 5.01 0.02 A 82 SER HB2 H 1 3.69 0.02 A 82 SER HB3 H 1 3.85 0.02 A 82 SER C C 13 172.76 0.05 A 82 SER CA C 13 56.77 0.05 A 82 SER CB C 13 65.24 0.05 A 82 SER N N 15 114.5 0.1 A 83 SER H H 1 9.13 0.02 A 83 SER HA H 1 4.07 0.02 A 83 SER HB2 H 1 3.41 0.02 A 83 SER HB3 H 1 3.56 0.02 A 83 SER C C 13 176.24 0.05 A 83 SER CA C 13 57.86 0.05 A 83 SER CB C 13 62.51 0.05 A 83 SER N N 15 120.2 0.1 A 84 VAL H H 1 8.94 0.02 A 84 VAL HA H 1 4.6 0.02 A 84 VAL HB H 1 2.42 0.02 A 84 VAL HG1% H 1 0.96 0.02 A 84 VAL HG2% H 1 0.48 0.02 A 84 VAL C C 13 175.12 0.05 A 84 VAL CA C 13 60.05 0.05 A 84 VAL CB C 13 34.07 0.05 A 84 VAL CG1 C 13 22.31 0.05 A 84 VAL CG2 C 13 19.03 0.05 A 84 VAL N N 15 118.2 0.1 A 85 ASP H H 1 7.51 0.02 A 85 ASP HA H 1 4.76 0.02 A 85 ASP HB2 H 1 2.42 0.02 A 85 ASP HB3 H 1 2.53 0.02 A 85 ASP C C 13 175 0.05 A 85 ASP CA C 13 54.3 0.05 A 85 ASP CB C 13 46.63 0.05 A 85 ASP N N 15 122.1 0.1 A 86 THR H H 1 8.59 0.02 A 86 THR HA H 1 5.25 0.02 A 86 THR HB H 1 3.89 0.02 A 86 THR HG2% H 1 1.15 0.02 A 86 THR C C 13 172.46 0.05 A 86 THR CA C 13 61.69 0.05 A 86 THR CB C 13 72.35 0.05 A 86 THR CG2 C 13 21.49 0.05 A 86 THR N N 15 116.3 0.1 A 87 LEU H H 1 9.77 0.02 A 87 LEU HA H 1 4.83 0.02 A 87 LEU HB2 H 1 1.53 0.02 A 87 LEU HB3 H 1 1.93 0.02 A 87 LEU HD1% H 1 0.78 0.02 A 87 LEU HD2% H 1 1.02 0.02 A 87 LEU HG H 1 1.67 0.02 A 87 LEU C C 13 173.75 0.05 A 87 LEU CA C 13 53.76 0.05 A 87 LEU CB C 13 46.65 0.05 A 87 LEU CD1 C 13 26.14 0.05 A 87 LEU CD2 C 13 23.13 0.05 A 87 LEU CG C 13 27.23 0.05 A 87 LEU N N 15 129.6 0.1 A 88 LEU H H 1 8.88 0.02 A 88 LEU HA H 1 4.89 0.02 A 88 LEU HB2 H 1 1.49 0.02 A 88 LEU HBx H 1 1.49 0.02 A 88 LEU HBy H 1 1.74 0.02 A 88 LEU HD1% H 1 0.89 0.02 A 88 LEU HD2% H 1 0.77 0.02 A 88 LEU HG H 1 1.74 0.02 A 88 LEU C C 13 177.57 0.05 A 88 LEU CA C 13 53.76 0.05 A 88 LEU CB C 13 41.73 0.05 A 88 LEU CD1 C 13 24.77 0.05 A 88 LEU CD2 C 13 23.95 0.05 A 88 LEU CG C 13 27.23 0.05 A 88 LEU N N 15 128.1 0.1 A 89 GLY H H 1 8.03 0.02 A 89 GLY HA2 H 1 3.7 0.02 A 89 GLY HA3 H 1 4.35 0.02 A 89 GLY C C 13 172.12 0.05 A 89 GLY CA C 13 44.46 0.05 A 89 GLY N N 15 110.2 0.1 A 90 ALA H H 1 8.36 0.02 A 90 ALA HA H 1 4.5 0.02 A 90 ALA HB% H 1 1.31 0.02 A 90 ALA C C 13 175.34 0.05 A 90 ALA CA C 13 50.2 0.05 A 90 ALA CB C 13 19.03 0.05 A 90 ALA N N 15 120 0.1 A 91 ASN H H 1 7.68 0.02 A 91 ASN HA H 1 4.79 0.02 A 91 ASN HB2 H 1 2.74 0.02 A 91 ASN HB3 H 1 2.83 0.02 A 91 ASN HD21 H 1 7.73 0.02 A 91 ASN HD22 H 1 7.08 0.02 A 91 ASN C C 13 174.58 0.05 A 91 ASN CA C 13 52.39 0.05 A 91 ASN CB C 13 39.27 0.05 A 91 ASN N N 15 121.4 0.1 A 92 ASP H H 1 8.87 0.02 A 92 ASP HA H 1 3.79 0.02 A 92 ASP HB2 H 1 1.72 0.02 A 92 ASP HB3 H 1 1.87 0.02 A 92 ASP C C 13 177.19 0.05 A 92 ASP CA C 13 57.59 0.05 A 92 ASP CB C 13 38.17 0.05 A 92 ASP N N 15 126.1 0.1 A 93 SER H H 1 8.15 0.02 A 93 SER HA H 1 4.12 0.02 A 93 SER HB2 H 1 3.87 0.02 A 93 SER HB3 H 1 3.9 0.02 A 93 SER C C 13 177.1 0.05 A 93 SER CA C 13 61.41 0.05 A 93 SER CB C 13 62.51 0.05 A 93 SER N N 15 115 0.1 A 94 ALA H H 1 7.93 0.02 A 94 ALA HA H 1 4.11 0.02 A 94 ALA HB% H 1 1.45 0.02 A 94 ALA C C 13 180.3 0.05 A 94 ALA CA C 13 54.03 0.05 A 94 ALA CB C 13 18.21 0.05 A 94 ALA N N 15 124.9 0.1 A 95 LEU H H 1 8.26 0.02 A 95 LEU HA H 1 3.83 0.02 A 95 LEU HB2 H 1 1.08 0.02 A 95 LEU HB3 H 1 2.05 0.02 A 95 LEU HD1% H 1 0.74 0.02 A 95 LEU HD2% H 1 0.18 0.02 A 95 LEU HG H 1 1.51 0.02 A 95 LEU C C 13 177.29 0.05 A 95 LEU CA C 13 57.31 0.05 A 95 LEU CB C 13 40.63 0.05 A 95 LEU CD1 C 13 26.14 0.05 A 95 LEU CD2 C 13 21.49 0.05 A 95 LEU CG C 13 26.41 0.05 A 95 LEU N N 15 121.9 0.1 A 96 LYS H H 1 8.38 0.02 A 96 LYS HA H 1 3.83 0.02 A 96 LYS HB2 H 1 2.05 0.02 A 96 LYS HB3 H 1 2.12 0.02 A 96 LYS HD2 H 1 1.8 0.02 A 96 LYS HD3 H 1 1.87 0.02 A 96 LYS HEx H 1 3.11 0.02 A 96 LYS HEy H 1 3.11 0.02 A 96 LYS HG2 H 1 1.45 0.02 A 96 LYS HG3 H 1 1.57 0.02 A 96 LYS C C 13 177.57 0.05 A 96 LYS CA C 13 60.32 0.05 A 96 LYS CB C 13 32.16 0.05 A 96 LYS CD C 13 29.42 0.05 A 96 LYS CE C 13 41.73 0.05 A 96 LYS CG C 13 24.77 0.05 A 96 LYS N N 15 119.7 0.1 A 97 GLN H H 1 7.81 0.02 A 97 GLN HA H 1 3.98 0.02 A 97 GLN HBx H 1 2.09 0.02 A 97 GLN HBy H 1 2.09 0.02 A 97 GLN HE21 H 1 7.42 0.02 A 97 GLN HE22 H 1 6.84 0.02 A 97 GLN HG2 H 1 2.34 0.02 A 97 GLN HG3 H 1 2.52 0.02 A 97 GLN C C 13 178.31 0.05 A 97 GLN CA C 13 58.68 0.05 A 97 GLN CB C 13 28.33 0.05 A 97 GLN CG C 13 34.07 0.05 A 97 GLN N N 15 115.8 0.1 A 98 LEU H H 1 7.83 0.02 A 98 LEU HA H 1 4.13 0.02 A 98 LEU HB2 H 1 1.6 0.02 A 98 LEU HB3 H 1 2.13 0.02 A 98 LEU HD1% H 1 0.78 0.02 A 98 LEU HD2% H 1 1.01 0.02 A 98 LEU HG H 1 1.42 0.02 A 98 LEU C C 13 177.23 0.05 A 98 LEU CA C 13 57.86 0.05 A 98 LEU CB C 13 41.45 0.05 A 98 LEU CD1 C 13 26.41 0.05 A 98 LEU CD2 C 13 23.68 0.05 A 98 LEU CG C 13 26.69 0.05 A 98 LEU N N 15 122.2 0.1 A 99 ILE H H 1 8 0.02 A 99 ILE HA H 1 3.2 0.02 A 99 ILE HB H 1 1.46 0.02 A 99 ILE HD1% H 1 0.15 0.02 A 99 ILE HG12 H 1 0.62 0.02 A 99 ILE HG13 H 1 1.58 0.02 A 99 ILE HG2% H 1 0.83 0.02 A 99 ILE C C 13 179.05 0.05 A 99 ILE CA C 13 65.52 0.05 A 99 ILE CB C 13 38.45 0.05 A 99 ILE CD1 C 13 16.84 0.05 A 99 ILE CG1 C 13 29.7 0.05 A 99 ILE CG2 C 13 14.93 0.05 A 99 ILE N N 15 116.9 0.1 A 100 GLU H H 1 8.48 0.02 A 100 GLU HA H 1 3.58 0.02 A 100 GLU HBx H 1 2 0.02 A 100 GLU HBy H 1 2 0.02 A 100 GLU HG2 H 1 2.13 0.02 A 100 GLU HG3 H 1 2.58 0.02 A 100 GLU C C 13 177.62 0.05 A 100 GLU CA C 13 59.5 0.05 A 100 GLU CB C 13 28.6 0.05 A 100 GLU CG C 13 37.9 0.05 A 100 GLU N N 15 117.4 0.1 A 101 LYS H H 1 7.61 0.02 A 101 LYS HA H 1 3.78 0.02 A 101 LYS HB2 H 1 1.73 0.02 A 101 LYS HB3 H 1 1.81 0.02 A 101 LYS HD2 H 1 1.5 0.02 A 101 LYS HD3 H 1 1.55 0.02 A 101 LYS HEx H 1 2.76 0.02 A 101 LYS HEy H 1 2.76 0.02 A 101 LYS HG2 H 1 0.35 0.02 A 101 LYS HG3 H 1 1.17 0.02 A 101 LYS C C 13 177.14 0.05 A 101 LYS CA C 13 58.68 0.05 A 101 LYS CB C 13 31.88 0.05 A 101 LYS CD C 13 29.7 0.05 A 101 LYS CE C 13 41.73 0.05 A 101 LYS CG C 13 24.23 0.05 A 101 LYS N N 15 119.6 0.1 A 102 TYR H H 1 7 0.02 A 102 TYR HA H 1 4.48 0.02 A 102 TYR HB2 H 1 2.37 0.02 A 102 TYR HB3 H 1 3.2 0.02 A 102 TYR HDx H 1 7.31 0.02 A 102 TYR HDy H 1 7.31 0.02 A 102 TYR HEx H 1 6.77 0.02 A 102 TYR HEy H 1 6.77 0.02 A 102 TYR C C 13 176.28 0.05 A 102 TYR CA C 13 59.23 0.05 A 102 TYR CB C 13 41.18 0.05 A 102 TYR N N 15 112.7 0.1 A 103 ALA H H 1 8.67 0.02 A 103 ALA HA H 1 4.52 0.02 A 103 ALA HB% H 1 1.41 0.02 A 103 ALA C C 13 175.3 0.05 A 103 ALA CA C 13 51.52 0.05 A 103 ALA CB C 13 20.35 0.05 A 103 ALA N N 15 120.8 0.1 A 104 ALA H H 1 7.56 0.02 A 104 ALA HA H 1 4.29 0.02 A 104 ALA HB% H 1 1.47 0.02 A 104 ALA CA C 13 54.03 0.05 A 104 ALA CB C 13 19.58 0.05 A 104 ALA N N 15 126.7 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 SER HA A 2 VAL H 1.0 2.1 3.6 2 2 A 2 VAL H A 1 SER HBx 1.0 2.2 4.2 3 2 A 2 VAL H A 1 SER HBy 1.0 2.2 4.2 4 3 A 3 LYS HG3 A 1 SER HBx 1.0 3.2 6.2 5 3 A 1 SER HBy A 3 LYS HG3 1.0 3.2 6.2 6 4 A 3 LYS HG2 A 1 SER HBx 1.0 3.2 6.2 7 4 A 1 SER HBy A 3 LYS HG2 1.0 3.2 6.2 8 5 A 2 VAL HA A 3 LYS HA 1.0 2.7 4.6 9 6 A 2 VAL HA A 3 LYS H 1.0 1.8 3.1 10 7 A 2 VAL HA A 53 ILE HA 1.0 2.4 4.2 11 8 A 2 VAL HA A 53 ILE H 1.0 3.0 5.2 12 9 A 2 VAL HA A 54 LYS HDx 1.0 2.7 5.1 13 9 A 2 VAL HA A 54 LYS HDy 1.0 2.7 5.1 14 10 A 3 LYS H A 2 VAL HB 1.0 2.5 4.3 15 11 A 2 VAL HB A 40 TYR HD% 1.0 2.4 5.4 16 12 A 3 LYS H A 2 VAL HG1% 1.0 2.4 7.5 17 13 A 40 TYR HD% A 2 VAL HG1% 1.0 2.2 5.1 18 14 A 2 VAL HG1% A 41 GLU HA 1.0 2.2 7.0 19 15 A 2 VAL HG1% A 44 SER HB3 1.0 2.5 7.7 20 16 A 2 VAL HG1% A 44 SER HB2 1.0 2.5 6.3 21 17 A 2 VAL HG1% A 52 PHE HD% 1.0 2.6 6.9 22 18 A 53 ILE HA A 2 VAL HG1% 1.0 2.0 8.5 23 19 A 3 LYS H A 2 VAL HG2% 1.0 2.4 7.5 24 20 A 40 TYR HD% A 2 VAL HG2% 1.0 2.2 5.1 25 21 A 41 GLU HA A 2 VAL HG2% 1.0 2.2 7.0 26 22 A 44 SER HB3 A 2 VAL HG2% 1.0 2.5 7.7 27 23 A 44 SER HB2 A 2 VAL HG2% 1.0 2.5 6.3 28 24 A 2 VAL HG2% A 44 SER HG 1.0 1.8 8.1 29 25 A 52 PHE HD% A 2 VAL HG2% 1.0 2.6 6.9 30 26 A 53 ILE HA A 2 VAL HG2% 1.0 2.0 8.5 31 27 A 2 VAL H A 2 VAL HA 1.0 2.2 3.7 32 28 A 2 VAL H A 2 VAL HB 1.0 1.8 3.1 33 29 A 2 VAL H A 2 VAL HG1% 1.0 2.4 5.0 34 30 A 2 VAL H A 2 VAL HG2% 1.0 2.4 5.0 35 31 A 2 VAL H A 3 LYS HA 1.0 3.5 6.0 36 32 A 2 VAL H A 3 LYS H 1.0 2.8 4.8 37 33 A 2 VAL H A 44 SER HB2 1.0 3.3 5.6 38 34 A 3 LYS HA A 4 ILE H 1.0 1.7 2.9 39 35 A 3 LYS HA A 53 ILE HA 1.0 2.9 4.9 40 36 A 4 ILE H A 3 LYS HB3 1.0 1.8 5.9 41 37 A 53 ILE HA A 3 LYS HB3 1.0 2.7 6.5 42 38 A 4 ILE H A 3 LYS HB2 1.0 1.8 5.9 43 39 A 53 ILE HA A 3 LYS HB2 1.0 2.7 6.5 44 40 A 4 ILE H A 3 LYS HDx 1.0 2.5 4.7 45 40 A 4 ILE H A 3 LYS HDy 1.0 2.5 4.7 46 41 A 4 ILE H A 3 LYS HE2 1.0 3.1 5.7 47 41 A 4 ILE H A 3 LYS HE3 1.0 3.1 5.7 48 42 A 5 VAL HA A 3 LYS HE2 1.0 3.2 6.0 49 42 A 3 LYS HE3 A 5 VAL HA 1.0 3.2 6.0 50 43 A 3 LYS HG3 A 4 ILE H 1.0 2.3 4.2 51 44 A 3 LYS HG3 A 53 ILE HA 1.0 2.8 4.9 52 45 A 3 LYS HG3 A 54 LYS H 1.0 2.7 6.4 53 46 A 3 LYS HG2 A 4 ILE H 1.0 2.3 4.2 54 47 A 3 LYS HG2 A 53 ILE HA 1.0 2.8 4.9 55 48 A 3 LYS HG2 A 54 LYS H 1.0 2.7 6.4 56 49 A 3 LYS HA A 3 LYS H 1.0 2.1 3.6 57 50 A 3 LYS H A 3 LYS HB3 1.0 2.1 3.6 58 51 A 3 LYS H A 3 LYS HB2 1.0 2.1 3.6 59 52 A 3 LYS H A 3 LYS HDx 1.0 3.1 5.7 60 52 A 3 LYS H A 3 LYS HDy 1.0 3.1 5.7 61 53 A 3 LYS HG3 A 3 LYS H 1.0 2.5 4.4 62 54 A 3 LYS HG2 A 3 LYS H 1.0 2.5 4.4 63 55 A 3 LYS H A 53 ILE HA 1.0 2.2 3.8 64 56 A 4 ILE HA A 5 VAL H 1.0 1.8 3.1 65 57 A 4 ILE HA A 26 PHE HD% 1.0 3.5 8.0 66 58 A 4 ILE HA A 26 PHE HE% 1.0 3.0 6.9 67 59 A 53 ILE HA A 4 ILE HA 1.0 2.7 4.6 68 60 A 4 ILE HA A 54 LYS HA 1.0 3.1 5.3 69 61 A 54 LYS H A 4 ILE HA 1.0 2.2 3.7 70 62 A 5 VAL H A 4 ILE HB 1.0 2.6 4.4 71 63 A 26 PHE HE% A 4 ILE HD11 1.0 2.2 5.6 72 64 A 4 ILE HD11 A 26 PHE HZ 1.0 2.1 4.2 73 65 A 5 VAL H A 4 ILE HG13 1.0 2.0 6.5 74 66 A 26 PHE HE% A 4 ILE HG13 1.0 2.7 7.1 75 67 A 5 VAL H A 4 ILE HG12 1.0 2.0 6.5 76 68 A 26 PHE HE% A 4 ILE HG12 1.0 2.7 7.1 77 69 A 4 ILE H A 4 ILE HA 1.0 2.2 3.8 78 70 A 4 ILE H A 4 ILE HB 1.0 1.8 3.1 79 71 A 4 ILE H A 4 ILE HG13 1.0 2.2 5.6 80 72 A 4 ILE H A 4 ILE HG12 1.0 2.2 5.6 81 73 A 4 ILE H A 5 VAL H 1.0 2.6 4.4 82 74 A 53 ILE HA A 4 ILE H 1.0 3.4 5.8 83 75 A 4 ILE H A 54 LYS H 1.0 3.1 5.3 84 76 A 5 VAL HA A 6 THR HA 1.0 2.7 4.6 85 77 A 5 VAL HA A 6 THR HG2% 1.0 2.4 4.8 86 78 A 5 VAL HA A 6 THR H 1.0 1.9 3.2 87 79 A 6 THR H A 5 VAL HB 1.0 2.8 4.8 88 80 A 5 VAL HB A 7 SER H 1.0 2.9 4.9 89 81 A 6 THR H A 5 VAL HG1% 1.0 2.2 5.6 90 82 A 7 SER H A 5 VAL HG1% 1.0 2.4 7.3 91 83 A 5 VAL HG1% A 11 PHE HA 1.0 2.2 4.9 92 84 A 5 VAL HG1% A 11 PHE HE% 1.0 2.7 8.0 93 85 A 5 VAL HG1% A 11 PHE H 1.0 2.3 6.0 94 86 A 5 VAL HG1% A 15 ILE HD1% 1.0 4.1 10.1 95 87 A 53 ILE HA A 5 VAL HG1% 1.0 2.7 7.0 96 88 A 6 THR H A 5 VAL HG2% 1.0 2.2 5.6 97 89 A 7 SER H A 5 VAL HG2% 1.0 2.4 7.3 98 90 A 11 PHE HA A 5 VAL HG2% 1.0 2.2 4.9 99 91 A 11 PHE HE% A 5 VAL HG2% 1.0 2.7 8.0 100 92 A 11 PHE H A 5 VAL HG2% 1.0 2.3 6.0 101 93 A 15 ILE HD1% A 5 VAL HG2% 1.0 4.1 10.1 102 94 A 53 ILE HA A 5 VAL HG2% 1.0 2.7 8.1 103 95 A 5 VAL HA A 5 VAL H 1.0 2.1 3.6 104 96 A 5 VAL H A 5 VAL HB 1.0 2.0 3.4 105 97 A 5 VAL H A 5 VAL HG1% 1.0 2.4 5.2 106 98 A 5 VAL H A 5 VAL HG2% 1.0 2.4 5.2 107 99 A 5 VAL H A 6 THR HG2% 1.0 3.5 7.0 108 100 A 5 VAL H A 6 THR H 1.0 3.0 5.2 109 101 A 5 VAL H A 14 ILE HD1% 1.0 4.1 8.3 110 102 A 53 ILE HA A 5 VAL H 1.0 3.1 5.3 111 103 A 54 LYS H A 5 VAL H 1.0 2.7 4.6 112 104 A 5 VAL H A 55 VAL HA 1.0 2.7 4.6 113 105 A 5 VAL H A 55 VAL HB 1.0 3.2 5.5 114 106 A 5 VAL H A 55 VAL HGy% 1.0 3.0 6.0 115 107 A 5 VAL H A 55 VAL H 1.0 3.2 5.5 116 108 A 5 VAL H A 56 ASP H 1.0 3.2 5.5 117 109 A 6 THR HA A 7 SER H 1.0 2.4 4.1 118 110 A 6 THR HA A 6 THR H 1.0 2.3 4.0 119 111 A 6 THR H A 6 THR HB 1.0 2.6 4.4 120 112 A 6 THR HG2% A 6 THR H 1.0 2.3 4.6 121 113 A 6 THR H A 7 SER H 1.0 2.2 3.7 122 114 A 6 THR H A 10 GLU HB3 1.0 2.7 6.4 123 115 A 6 THR H A 10 GLU HB2 1.0 2.7 6.4 124 116 A 6 THR H A 60 VAL HG1% 1.0 2.7 9.1 125 117 A 6 THR H A 60 VAL HG2% 1.0 2.7 9.1 126 118 A 7 SER HB3 A 8 GLN H 1.0 2.5 5.0 127 119 A 8 GLN H A 7 SER HB2 1.0 2.5 5.0 128 120 A 7 SER H A 7 SER HB3 1.0 2.8 6.6 129 121 A 7 SER H A 7 SER HB2 1.0 2.8 6.6 130 122 A 7 SER H A 8 GLN H 1.0 3.5 6.0 131 123 A 7 SER H A 10 GLU HB3 1.0 2.4 4.3 132 124 A 7 SER H A 10 GLU HB2 1.0 2.4 4.3 133 125 A 7 SER H A 10 GLU HGx 1.0 2.7 5.1 134 125 A 7 SER H A 10 GLU HGy 1.0 2.7 5.1 135 126 A 7 SER H A 10 GLU H 1.0 2.7 4.7 136 127 A 7 SER H A 11 PHE HA 1.0 3.4 5.8 137 128 A 7 SER H A 11 PHE HB3 1.0 3.3 5.6 138 129 A 7 SER H A 11 PHE HB2 1.0 3.5 6.0 139 130 A 7 SER H A 11 PHE H 1.0 3.1 5.3 140 131 A 7 SER H A 60 VAL HG1% 1.0 3.0 6.0 141 132 A 7 SER H A 60 VAL HG2% 1.0 3.0 6.0 142 133 A 8 GLN HA A 9 SER H 1.0 2.6 4.4 143 134 A 10 GLU H A 8 GLN HA 1.0 2.7 4.6 144 135 A 8 GLN HA A 11 PHE HD% 1.0 2.4 5.4 145 136 A 11 PHE H A 8 GLN HA 1.0 2.2 3.8 146 137 A 8 GLN HA A 12 ASP H 1.0 2.5 4.3 147 138 A 8 GLN HA A 63 VAL HG1% 1.0 3.2 6.4 148 139 A 8 GLN HA A 63 VAL HG2% 1.0 2.2 4.5 149 140 A 9 SER H A 8 GLN HB3 1.0 1.8 5.8 150 141 A 9 SER H A 8 GLN HB2 1.0 1.8 5.8 151 142 A 8 GLN HE21 A 8 GLN HG3 1.0 2.1 4.4 152 143 A 8 GLN HE21 A 8 GLN HG2 1.0 2.1 4.4 153 144 A 11 PHE HD% A 8 GLN HE21 1.0 2.7 6.2 154 145 A 8 GLN HE21 A 55 VAL HGx% 1.0 2.9 5.9 155 146 A 8 GLN HE21 A 63 VAL HA 1.0 3.4 5.9 156 147 A 8 GLN HE21 A 66 LYS HEx 1.0 2.7 4.9 157 147 A 8 GLN HE21 A 66 LYS HEy 1.0 2.7 4.9 158 148 A 8 GLN HE21 A 66 LYS HGx 1.0 2.7 4.9 159 148 A 8 GLN HE21 A 66 LYS HGy 1.0 2.7 4.9 160 149 A 8 GLN HE21 A 8 GLN HE22 1.0 1.5 2.6 161 150 A 8 GLN HG3 A 8 GLN HE22 1.0 2.0 4.3 162 151 A 8 GLN HG2 A 8 GLN HE22 1.0 2.0 4.3 163 152 A 8 GLN H A 8 GLN HE22 1.0 3.4 5.9 164 153 A 9 SER H A 8 GLN HE22 1.0 3.1 5.4 165 154 A 11 PHE HD% A 8 GLN HE22 1.0 2.4 5.6 166 155 A 8 GLN HE22 A 55 VAL HGx% 1.0 2.9 5.9 167 156 A 63 VAL HA A 8 GLN HE22 1.0 2.6 4.4 168 157 A 8 GLN HE22 A 66 LYS HEx 1.0 2.2 4.0 169 157 A 66 LYS HEy A 8 GLN HE22 1.0 2.2 4.0 170 158 A 9 SER H A 8 GLN HG3 1.0 2.4 4.2 171 159 A 9 SER H A 8 GLN HG2 1.0 2.4 4.2 172 160 A 8 GLN H A 8 GLN HA 1.0 2.4 4.1 173 161 A 8 GLN H A 8 GLN HB3 1.0 2.2 4.0 174 162 A 8 GLN H A 8 GLN HB2 1.0 2.2 4.0 175 163 A 8 GLN H A 8 GLN HG3 1.0 2.5 4.4 176 164 A 8 GLN H A 8 GLN HG2 1.0 2.5 4.4 177 165 A 8 GLN H A 9 SER H 1.0 2.7 4.6 178 166 A 8 GLN H A 10 GLU H 1.0 3.0 5.2 179 167 A 11 PHE H A 8 GLN H 1.0 3.5 6.0 180 168 A 60 VAL HG1% A 8 GLN H 1.0 2.8 8.1 181 169 A 60 VAL HG2% A 8 GLN H 1.0 2.8 8.1 182 170 A 8 GLN H A 63 VAL HG2% 1.0 3.0 6.0 183 171 A 10 GLU H A 9 SER HA 1.0 2.2 3.7 184 172 A 9 SER HA A 12 ASP HB3 1.0 2.2 4.1 185 173 A 9 SER HA A 12 ASP HB2 1.0 2.2 4.1 186 174 A 12 ASP H A 9 SER HA 1.0 2.6 4.4 187 175 A 9 SER HA A 13 SER H 1.0 2.2 3.8 188 176 A 12 ASP HB3 A 9 SER HB3 1.0 3.4 6.4 189 176 A 12 ASP HB3 A 9 SER HB2 1.0 3.4 6.4 190 177 A 12 ASP HB2 A 9 SER HB3 1.0 3.4 6.4 191 177 A 12 ASP HB2 A 9 SER HB2 1.0 3.4 6.4 192 178 A 10 GLU H A 9 SER HB3 1.0 2.2 5.6 193 179 A 10 GLU H A 9 SER HB2 1.0 2.2 5.6 194 180 A 9 SER H A 9 SER HA 1.0 2.4 4.1 195 181 A 9 SER H A 9 SER HB3 1.0 2.1 3.7 196 182 A 9 SER H A 9 SER HB2 1.0 2.1 3.7 197 183 A 10 GLU H A 9 SER H 1.0 2.2 3.8 198 184 A 11 PHE H A 9 SER H 1.0 2.8 4.8 199 185 A 12 ASP H A 10 GLU HA 1.0 3.4 5.8 200 186 A 13 SER H A 10 GLU HA 1.0 2.2 3.7 201 187 A 10 GLU HA A 14 ILE H 1.0 3.1 5.3 202 188 A 11 PHE H A 10 GLU HB3 1.0 2.2 4.0 203 189 A 11 PHE H A 10 GLU HB2 1.0 2.2 4.0 204 190 A 11 PHE H A 10 GLU HGx 1.0 2.5 4.7 205 190 A 11 PHE H A 10 GLU HGy 1.0 2.5 4.7 206 191 A 10 GLU H A 10 GLU HA 1.0 2.0 3.5 207 192 A 10 GLU HB3 A 10 GLU H 1.0 2.1 3.7 208 193 A 10 GLU HB2 A 10 GLU H 1.0 2.1 3.7 209 194 A 10 GLU H A 10 GLU HGx 1.0 2.5 4.7 210 194 A 10 GLU HGy A 10 GLU H 1.0 2.5 4.7 211 195 A 10 GLU H A 11 PHE HB3 1.0 2.7 4.7 212 196 A 10 GLU H A 12 ASP H 1.0 2.7 4.6 213 197 A 11 PHE HA A 12 ASP H 1.0 2.4 4.2 214 198 A 11 PHE HA A 14 ILE H 1.0 2.4 4.2 215 199 A 11 PHE HA A 15 ILE HD1% 1.0 3.2 6.4 216 200 A 11 PHE HA A 15 ILE H 1.0 2.7 4.6 217 201 A 11 PHE HA A 25 PHE HE% 1.0 3.4 7.7 218 202 A 11 PHE HB3 A 12 ASP H 1.0 2.2 3.7 219 203 A 11 PHE HB3 A 13 SER H 1.0 2.7 4.7 220 204 A 15 ILE HD1% A 11 PHE HB3 1.0 3.7 7.4 221 205 A 11 PHE HB3 A 63 VAL HG1% 1.0 3.4 6.9 222 206 A 11 PHE HB3 A 63 VAL HG2% 1.0 2.7 5.3 223 207 A 11 PHE HB2 A 12 ASP H 1.0 2.2 3.8 224 208 A 11 PHE HB2 A 63 VAL HG1% 1.0 3.6 7.3 225 209 A 11 PHE HB2 A 63 VAL HG2% 1.0 2.5 5.0 226 210 A 11 PHE HA A 11 PHE HD% 1.0 2.0 4.6 227 211 A 11 PHE HB3 A 11 PHE HD% 1.0 2.2 5.0 228 212 A 11 PHE HB2 A 11 PHE HD% 1.0 2.0 4.5 229 213 A 11 PHE H A 11 PHE HD% 1.0 2.2 5.1 230 214 A 11 PHE HD% A 12 ASP HA 1.0 2.3 5.3 231 215 A 11 PHE HD% A 14 ILE H 1.0 3.1 7.0 232 216 A 15 ILE HD1% A 11 PHE HD% 1.0 2.5 6.5 233 217 A 11 PHE HD% A 15 ILE HG2% 1.0 2.9 7.6 234 218 A 11 PHE HD% A 55 VAL HGx% 1.0 2.0 5.0 235 219 A 11 PHE HD% A 55 VAL HGy% 1.0 1.8 4.7 236 220 A 11 PHE HD% A 67 GLU HGx 1.0 2.7 6.6 237 220 A 11 PHE HD% A 67 GLU HGy 1.0 2.7 6.6 238 221 A 11 PHE HE% A 11 PHE HB3 1.0 2.7 6.2 239 222 A 11 PHE HE% A 12 ASP H 1.0 2.6 5.9 240 223 A 11 PHE HE% A 15 ILE HD1% 1.0 2.3 5.9 241 224 A 11 PHE HE% A 15 ILE HG13 1.0 2.8 6.3 242 225 A 11 PHE HE% A 15 ILE HG12 1.0 2.8 6.3 243 226 A 11 PHE HE% A 15 ILE HG2% 1.0 2.8 7.2 244 227 A 11 PHE HE% A 23 VAL HG1% 1.0 2.2 5.0 245 228 A 11 PHE HE% A 23 VAL HG2% 1.0 2.2 5.0 246 229 A 11 PHE HE% A 25 PHE HZ 1.0 1.7 4.0 247 230 A 11 PHE HE% A 53 ILE HG12 1.0 3.3 7.5 248 231 A 11 PHE HE% A 63 VAL HA 1.0 2.2 5.0 249 232 A 11 PHE HE% A 63 VAL HG1% 1.0 2.2 5.8 250 233 A 11 PHE HE% A 67 GLU HGx 1.0 2.3 5.6 251 233 A 11 PHE HE% A 67 GLU HGy 1.0 2.3 5.6 252 234 A 11 PHE HE% A 67 GLU H 1.0 3.4 7.8 253 235 A 11 PHE HE% A 69 ILE HD1% 1.0 3.5 9.0 254 236 A 11 PHE HE% A 78 TYR HE% 1.0 2.7 7.6 255 237 A 11 PHE HA A 11 PHE H 1.0 2.1 3.6 256 238 A 11 PHE H A 11 PHE HB3 1.0 2.2 3.7 257 239 A 11 PHE H A 11 PHE HB2 1.0 2.0 3.5 258 240 A 11 PHE H A 11 PHE HD% 1.0 2.2 5.1 259 241 A 11 PHE H A 12 ASP H 1.0 2.3 4.0 260 242 A 11 PHE H A 63 VAL HG1% 1.0 3.6 7.1 261 243 A 11 PHE H A 63 VAL HG2% 1.0 2.7 5.3 262 244 A 11 PHE HE% A 11 PHE HZ 1.0 2.1 4.8 263 245 A 15 ILE HD1% A 11 PHE HZ 1.0 3.6 7.3 264 246 A 23 VAL HG1% A 11 PHE HZ 1.0 2.4 6.9 265 247 A 23 VAL HG2% A 11 PHE HZ 1.0 2.4 6.9 266 248 A 25 PHE HE% A 11 PHE HZ 1.0 1.8 4.2 267 249 A 25 PHE HZ A 11 PHE HZ 1.0 2.1 3.6 268 250 A 11 PHE HZ A 55 VAL HGx% 1.0 2.6 5.2 269 251 A 63 VAL HG1% A 11 PHE HZ 1.0 2.5 5.0 270 252 A 11 PHE HZ A 67 GLU HGx 1.0 2.2 4.2 271 252 A 67 GLU HGy A 11 PHE HZ 1.0 2.2 4.2 272 253 A 67 GLU H A 11 PHE HZ 1.0 3.2 5.5 273 254 A 69 ILE HD1% A 11 PHE HZ 1.0 3.0 6.0 274 255 A 78 TYR HE% A 11 PHE HZ 1.0 2.5 5.8 275 256 A 13 SER H A 12 ASP HA 1.0 2.2 3.8 276 257 A 15 ILE HD1% A 12 ASP HA 1.0 2.6 5.2 277 258 A 12 ASP HA A 15 ILE HG13 1.0 2.2 4.1 278 259 A 12 ASP HA A 15 ILE HG12 1.0 2.2 4.1 279 260 A 15 ILE H A 12 ASP HA 1.0 2.3 4.0 280 261 A 12 ASP HA A 16 SER H 1.0 2.7 4.7 281 262 A 12 ASP HB3 A 12 ASP HA 1.0 1.9 3.4 282 263 A 12 ASP HB3 A 13 SER H 1.0 2.1 3.7 283 264 A 15 ILE HD1% A 12 ASP HB3 1.0 2.8 7.4 284 265 A 12 ASP HB3 A 15 ILE H 1.0 3.1 5.5 285 266 A 12 ASP HB2 A 12 ASP HA 1.0 1.9 3.4 286 267 A 12 ASP HB2 A 13 SER H 1.0 2.1 3.7 287 268 A 15 ILE HD1% A 12 ASP HB2 1.0 2.8 7.4 288 269 A 12 ASP HB2 A 15 ILE H 1.0 3.1 5.5 289 270 A 12 ASP H A 12 ASP HA 1.0 2.2 3.7 290 271 A 12 ASP H A 12 ASP HB3 1.0 2.1 3.7 291 272 A 12 ASP H A 12 ASP HB2 1.0 2.1 3.7 292 273 A 12 ASP H A 13 SER HA 1.0 3.1 5.3 293 274 A 12 ASP H A 13 SER HB3 1.0 2.9 4.9 294 275 A 12 ASP H A 13 SER HB2 1.0 3.1 5.4 295 276 A 12 ASP H A 13 SER H 1.0 2.2 3.8 296 277 A 12 ASP H A 14 ILE H 1.0 2.8 4.8 297 278 A 12 ASP H A 15 ILE HG13 1.0 2.9 5.3 298 279 A 12 ASP H A 15 ILE HG12 1.0 2.9 5.3 299 280 A 12 ASP H A 15 ILE H 1.0 3.1 5.3 300 281 A 12 ASP H A 63 VAL HG1% 1.0 3.7 7.4 301 282 A 12 ASP H A 63 VAL HG2% 1.0 2.6 5.2 302 283 A 14 ILE H A 13 SER HA 1.0 2.4 4.2 303 284 A 15 ILE HD1% A 13 SER HA 1.0 3.7 7.4 304 285 A 13 SER HA A 16 SER HB3 1.0 1.7 4.8 305 286 A 13 SER HA A 16 SER HB2 1.0 1.7 4.8 306 287 A 16 SER H A 13 SER HA 1.0 2.4 4.2 307 288 A 13 SER HA A 17 GLN HE21 1.0 3.0 7.0 308 289 A 13 SER HA A 17 GLN HE22 1.0 3.0 7.0 309 290 A 13 SER HA A 17 GLN H 1.0 2.7 4.6 310 291 A 13 SER HB3 A 14 ILE HA 1.0 3.0 5.2 311 292 A 14 ILE H A 13 SER HB3 1.0 2.2 3.7 312 293 A 13 SER HB2 A 14 ILE HA 1.0 3.2 5.5 313 294 A 14 ILE H A 13 SER HB2 1.0 2.2 3.8 314 295 A 13 SER H A 13 SER HA 1.0 2.2 3.8 315 296 A 13 SER H A 13 SER HB3 1.0 2.0 3.5 316 297 A 13 SER H A 13 SER HB2 1.0 2.1 3.6 317 298 A 13 SER H A 14 ILE HA 1.0 3.1 5.3 318 299 A 13 SER H A 14 ILE HB 1.0 2.7 4.7 319 300 A 13 SER H A 14 ILE HG12 1.0 3.2 6.0 320 300 A 13 SER H A 14 ILE HG13 1.0 3.2 6.0 321 301 A 15 ILE HD1% A 13 SER H 1.0 3.8 7.6 322 302 A 13 SER H A 15 ILE H 1.0 2.9 4.9 323 303 A 14 ILE HA A 14 ILE HB 1.0 2.1 3.6 324 304 A 14 ILE HD1% A 14 ILE HA 1.0 2.2 4.5 325 305 A 14 ILE HA A 14 ILE HG12 1.0 2.0 3.6 326 305 A 14 ILE HA A 14 ILE HG13 1.0 2.0 3.6 327 306 A 14 ILE HA A 14 ILE HG2% 1.0 2.1 4.2 328 307 A 15 ILE HD1% A 14 ILE HA 1.0 2.9 5.9 329 308 A 15 ILE HG13 A 14 ILE HA 1.0 3.1 7.2 330 309 A 15 ILE HG12 A 14 ILE HA 1.0 3.1 7.2 331 310 A 15 ILE H A 14 ILE HA 1.0 2.4 4.2 332 311 A 16 SER H A 14 ILE HA 1.0 2.6 4.4 333 312 A 14 ILE HA A 17 GLN HA 1.0 3.5 6.0 334 313 A 14 ILE HA A 17 GLN HB3 1.0 2.9 5.4 335 314 A 14 ILE HA A 17 GLN HB2 1.0 2.9 5.4 336 315 A 17 GLN HE21 A 14 ILE HA 1.0 2.9 6.8 337 316 A 17 GLN HE22 A 14 ILE HA 1.0 2.9 6.8 338 317 A 14 ILE HA A 17 GLN HG3 1.0 2.6 5.6 339 318 A 14 ILE HA A 17 GLN HG2 1.0 2.6 5.6 340 319 A 17 GLN H A 14 ILE HA 1.0 2.5 4.3 341 320 A 14 ILE HA A 18 ASN HB3 1.0 2.6 6.5 342 321 A 14 ILE HA A 18 ASN HB2 1.0 2.6 6.5 343 322 A 14 ILE HA A 18 ASN HD21 1.0 2.1 3.6 344 323 A 14 ILE HA A 18 ASN HD22 1.0 2.1 3.6 345 324 A 14 ILE HA A 51 VAL HG1% 1.0 4.3 8.7 346 325 A 14 ILE HA A 51 VAL HG2% 1.0 3.9 7.8 347 326 A 14 ILE HA A 53 ILE HD1% 1.0 3.1 6.2 348 327 A 15 ILE HD1% A 14 ILE HB 1.0 2.9 5.9 349 328 A 15 ILE HG13 A 14 ILE HB 1.0 2.8 4.9 350 329 A 15 ILE HG12 A 14 ILE HB 1.0 2.8 4.9 351 330 A 15 ILE H A 14 ILE HB 1.0 2.2 3.7 352 331 A 14 ILE HD1% A 15 ILE H 1.0 2.5 5.0 353 332 A 14 ILE HD1% A 18 ASN HD21 1.0 2.9 7.7 354 333 A 14 ILE HD1% A 18 ASN HD22 1.0 2.9 7.7 355 334 A 53 ILE HA A 14 ILE HD1% 1.0 4.1 8.3 356 335 A 15 ILE HD1% A 14 ILE HG12 1.0 3.4 7.4 357 335 A 15 ILE HD1% A 14 ILE HG13 1.0 3.4 7.4 358 336 A 18 ASN HD21 A 14 ILE HG12 1.0 2.9 6.8 359 336 A 14 ILE HG13 A 18 ASN HD21 1.0 2.9 6.8 360 337 A 18 ASN HD22 A 14 ILE HG12 1.0 2.9 6.8 361 337 A 14 ILE HG13 A 18 ASN HD22 1.0 2.9 6.8 362 338 A 15 ILE HD1% A 14 ILE HG2% 1.0 2.6 5.9 363 339 A 15 ILE H A 14 ILE HG2% 1.0 2.4 4.8 364 340 A 16 SER H A 14 ILE HG2% 1.0 2.9 5.9 365 341 A 17 GLN H A 14 ILE HG2% 1.0 3.1 6.3 366 342 A 14 ILE HG2% A 18 ASN HD21 1.0 2.3 4.3 367 343 A 14 ILE HG2% A 18 ASN HD22 1.0 2.3 4.3 368 344 A 14 ILE HG2% A 22 ILE H 1.0 3.4 6.9 369 345 A 53 ILE HA A 14 ILE HG2% 1.0 3.9 7.8 370 346 A 14 ILE H A 14 ILE HA 1.0 2.2 3.8 371 347 A 14 ILE H A 14 ILE HB 1.0 2.0 3.4 372 348 A 14 ILE HD1% A 14 ILE H 1.0 2.4 4.8 373 349 A 14 ILE H A 14 ILE HG12 1.0 2.2 4.2 374 349 A 14 ILE H A 14 ILE HG13 1.0 2.2 4.2 375 350 A 14 ILE H A 14 ILE HG2% 1.0 2.4 4.9 376 351 A 15 ILE HD1% A 14 ILE H 1.0 3.6 7.1 377 352 A 14 ILE H A 15 ILE HG13 1.0 3.1 5.8 378 353 A 14 ILE H A 15 ILE HG12 1.0 3.1 5.8 379 354 A 14 ILE H A 15 ILE HG2% 1.0 3.5 7.0 380 355 A 14 ILE H A 15 ILE H 1.0 2.2 3.8 381 356 A 16 SER H A 15 ILE HA 1.0 2.6 4.4 382 357 A 17 GLN H A 15 ILE HA 1.0 3.1 5.4 383 358 A 15 ILE HA A 21 VAL HA 1.0 3.4 5.8 384 359 A 15 ILE HA A 21 VAL HB 1.0 2.6 4.4 385 360 A 16 SER H A 15 ILE HB 1.0 2.2 3.7 386 361 A 15 ILE HB A 78 TYR HD% 1.0 2.8 6.4 387 362 A 15 ILE HD1% A 15 ILE HA 1.0 2.2 4.5 388 363 A 15 ILE HD1% A 15 ILE HB 1.0 2.4 4.8 389 364 A 15 ILE HD1% A 15 ILE HG13 1.0 2.1 4.2 390 365 A 15 ILE HD1% A 15 ILE HG12 1.0 2.1 4.2 391 366 A 15 ILE HD1% A 15 ILE HG2% 1.0 2.2 5.1 392 367 A 15 ILE HD1% A 16 SER H 1.0 3.4 6.9 393 368 A 15 ILE HD1% A 17 GLN H 1.0 4.1 8.3 394 369 A 15 ILE HD1% A 18 ASN HB3 1.0 3.0 9.1 395 370 A 15 ILE HD1% A 18 ASN HB2 1.0 3.0 9.1 396 371 A 15 ILE HD1% A 18 ASN HD21 1.0 3.4 8.7 397 372 A 15 ILE HD1% A 18 ASN HD22 1.0 3.4 8.7 398 373 A 15 ILE HD1% A 21 VAL HA 1.0 3.6 7.3 399 374 A 15 ILE HD1% A 21 VAL HB 1.0 2.7 5.3 400 375 A 15 ILE HD1% A 21 VAL HG1% 1.0 2.3 5.3 401 376 A 15 ILE HD1% A 21 VAL HG2% 1.0 2.7 6.1 402 377 A 15 ILE HD1% A 21 VAL H 1.0 3.4 6.9 403 378 A 15 ILE HD1% A 21 VAL H 1.0 3.5 7.0 404 379 A 15 ILE HD1% A 23 VAL HA 1.0 4.0 8.0 405 380 A 15 ILE HD1% A 23 VAL HB 1.0 3.6 7.1 406 381 A 15 ILE HD1% A 23 VAL HG1% 1.0 2.7 7.8 407 382 A 15 ILE HD1% A 23 VAL HG2% 1.0 2.7 7.8 408 383 A 15 ILE HD1% A 25 PHE HE% 1.0 3.6 9.2 409 384 A 15 ILE HD1% A 25 PHE HZ 1.0 2.7 5.3 410 385 A 15 ILE HD1% A 51 VAL HB 1.0 4.1 8.1 411 386 A 15 ILE HD1% A 51 VAL HG1% 1.0 4.1 9.3 412 387 A 15 ILE HD1% A 53 ILE HG13 1.0 3.4 6.9 413 388 A 15 ILE HD1% A 53 ILE HG2% 1.0 3.9 9.0 414 389 A 15 ILE HD1% A 78 TYR HD% 1.0 2.4 6.3 415 390 A 15 ILE HD1% A 78 TYR HE% 1.0 2.7 6.8 416 391 A 15 ILE HD1% A 78 TYR H 1.0 3.4 6.9 417 392 A 15 ILE HD1% A 81 GLY HA3 1.0 2.7 7.6 418 393 A 15 ILE HD1% A 81 GLY HA2 1.0 2.7 7.6 419 394 A 15 ILE HD1% A 81 GLY H 1.0 3.6 7.1 420 395 A 15 ILE HD1% A 82 SER HA 1.0 3.5 7.0 421 396 A 15 ILE HG13 A 15 ILE HA 1.0 2.2 3.8 422 397 A 15 ILE HG13 A 15 ILE HB 1.0 2.0 3.7 423 398 A 15 ILE HG13 A 16 SER HA 1.0 1.7 7.2 424 399 A 15 ILE HG13 A 16 SER H 1.0 2.2 5.6 425 400 A 15 ILE HG13 A 17 GLN H 1.0 2.9 6.8 426 401 A 15 ILE HG13 A 21 VAL HB 1.0 3.0 5.4 427 402 A 15 ILE HG13 A 25 PHE HZ 1.0 3.5 7.0 428 403 A 15 ILE HG12 A 15 ILE HA 1.0 2.2 3.8 429 404 A 15 ILE HG12 A 15 ILE HB 1.0 2.0 3.7 430 405 A 15 ILE HG12 A 16 SER HA 1.0 1.7 6.8 431 406 A 15 ILE HG12 A 16 SER H 1.0 2.2 5.6 432 407 A 15 ILE HG12 A 17 GLN H 1.0 2.9 6.8 433 408 A 15 ILE HG12 A 21 VAL HB 1.0 3.0 5.4 434 409 A 15 ILE HG12 A 25 PHE HZ 1.0 3.5 7.0 435 410 A 15 ILE HG2% A 15 ILE HA 1.0 2.1 4.2 436 411 A 15 ILE HG2% A 15 ILE HB 1.0 2.0 4.1 437 412 A 15 ILE HD1% A 15 ILE HG2% 1.0 2.2 5.1 438 413 A 15 ILE HG2% A 15 ILE HG13 1.0 2.2 4.5 439 414 A 15 ILE HG2% A 15 ILE HG12 1.0 2.2 4.5 440 415 A 15 ILE HG2% A 16 SER HA 1.0 2.7 5.3 441 416 A 15 ILE HG2% A 16 SER HB3 1.0 3.8 7.7 442 417 A 15 ILE HG2% A 16 SER HB2 1.0 3.8 7.7 443 418 A 15 ILE HG2% A 16 SER H 1.0 2.6 5.2 444 419 A 15 ILE HG2% A 17 GLN H 1.0 3.5 7.0 445 420 A 15 ILE HG2% A 21 VAL HA 1.0 3.9 7.8 446 421 A 15 ILE HG2% A 21 VAL HB 1.0 2.9 5.9 447 422 A 15 ILE HG2% A 21 VAL H 1.0 3.3 6.6 448 423 A 15 ILE HG2% A 25 PHE HZ 1.0 2.9 5.9 449 424 A 15 ILE HG2% A 78 TYR HB3 1.0 2.7 5.3 450 425 A 15 ILE HG2% A 78 TYR HB2 1.0 2.7 5.5 451 426 A 15 ILE HG2% A 78 TYR HD% 1.0 2.3 5.9 452 427 A 15 ILE HG2% A 78 TYR HE% 1.0 2.7 7.0 453 428 A 15 ILE HG2% A 78 TYR H 1.0 3.3 6.6 454 429 A 15 ILE HG2% A 79 LYS H 1.0 3.5 7.0 455 430 A 15 ILE HG2% A 81 GLY HA3 1.0 2.3 4.6 456 431 A 15 ILE HG2% A 81 GLY HA2 1.0 2.2 4.5 457 432 A 15 ILE HG2% A 81 GLY H 1.0 2.7 5.3 458 433 A 15 ILE HG2% A 82 SER HA 1.0 3.6 7.1 459 434 A 15 ILE HG2% A 82 SER H 1.0 2.9 5.7 460 435 A 15 ILE H A 15 ILE HA 1.0 2.2 3.7 461 436 A 15 ILE H A 15 ILE HB 1.0 2.0 3.5 462 437 A 15 ILE HD1% A 15 ILE H 1.0 2.4 4.9 463 438 A 15 ILE H A 15 ILE HG13 1.0 1.9 5.0 464 439 A 15 ILE H A 15 ILE HG12 1.0 1.9 5.0 465 440 A 15 ILE H A 15 ILE HG2% 1.0 2.4 4.8 466 441 A 16 SER HB3 A 16 SER HA 1.0 2.3 4.8 467 442 A 16 SER HB2 A 16 SER HA 1.0 2.3 4.7 468 443 A 17 GLN H A 16 SER HA 1.0 2.5 4.3 469 444 A 16 SER HA A 18 ASN H 1.0 3.1 5.3 470 445 A 16 SER HB3 A 16 SER HA 1.0 1.7 3.0 471 446 A 16 SER HB3 A 17 GLN HA 1.0 2.9 6.7 472 447 A 16 SER HB3 A 17 GLN HE21 1.0 2.2 4.9 473 448 A 16 SER HB3 A 17 GLN HE22 1.0 2.2 4.9 474 449 A 16 SER HB3 A 17 GLN H 1.0 2.4 4.3 475 450 A 16 SER HB2 A 16 SER HA 1.0 1.7 3.0 476 451 A 16 SER HB2 A 17 GLN HA 1.0 2.9 6.7 477 452 A 16 SER HB2 A 17 GLN HE21 1.0 2.2 4.9 478 453 A 16 SER HB2 A 17 GLN HE22 1.0 2.2 4.9 479 454 A 16 SER HB2 A 17 GLN H 1.0 2.4 4.3 480 455 A 16 SER H A 16 SER HA 1.0 2.0 3.4 481 456 A 16 SER H A 16 SER HB3 1.0 2.0 3.6 482 457 A 16 SER H A 16 SER HB2 1.0 2.0 3.6 483 458 A 16 SER H A 17 GLN H 1.0 2.0 3.4 484 459 A 17 GLN HA A 17 GLN HG3 1.0 1.9 3.4 485 460 A 17 GLN HA A 17 GLN HG2 1.0 1.9 3.4 486 461 A 17 GLN HA A 18 ASN H 1.0 2.0 3.5 487 462 A 17 GLN HB3 A 18 ASN HD21 1.0 2.4 7.0 488 463 A 17 GLN HB3 A 18 ASN HD22 1.0 2.4 7.0 489 464 A 17 GLN HB3 A 18 ASN H 1.0 1.9 5.8 490 465 A 17 GLN HB2 A 18 ASN HD21 1.0 2.4 7.0 491 466 A 17 GLN HB2 A 18 ASN HD22 1.0 2.4 7.0 492 467 A 17 GLN HB2 A 18 ASN H 1.0 1.9 5.8 493 468 A 17 GLN HE21 A 17 GLN HA 1.0 2.9 5.4 494 469 A 17 GLN HE21 A 17 GLN HB3 1.0 2.9 7.4 495 470 A 17 GLN HE21 A 17 GLN HB2 1.0 2.9 7.4 496 471 A 17 GLN HE21 A 17 GLN HG3 1.0 2.1 4.3 497 472 A 17 GLN HE21 A 17 GLN HG2 1.0 2.1 4.3 498 473 A 17 GLN HE22 A 17 GLN HA 1.0 2.9 5.4 499 474 A 17 GLN HE22 A 17 GLN HB3 1.0 2.9 7.4 500 475 A 17 GLN HE22 A 17 GLN HB2 1.0 2.9 7.4 501 476 A 17 GLN HE21 A 17 GLN HE22 1.0 1.5 2.6 502 477 A 17 GLN HE22 A 17 GLN HG3 1.0 2.1 4.3 503 478 A 17 GLN HE22 A 17 GLN HG2 1.0 2.1 4.3 504 479 A 17 GLN H A 17 GLN HA 1.0 1.9 3.2 505 480 A 17 GLN H A 17 GLN HB3 1.0 2.0 3.6 506 481 A 17 GLN H A 17 GLN HB2 1.0 2.0 3.6 507 482 A 17 GLN HE21 A 17 GLN H 1.0 1.8 7.1 508 483 A 17 GLN HE22 A 17 GLN H 1.0 1.8 7.1 509 484 A 17 GLN H A 17 GLN HG3 1.0 2.1 5.4 510 485 A 17 GLN H A 17 GLN HG2 1.0 2.1 5.4 511 486 A 17 GLN H A 18 ASN HA 1.0 3.1 5.4 512 487 A 17 GLN H A 18 ASN HD21 1.0 2.6 4.8 513 488 A 17 GLN H A 18 ASN HD22 1.0 2.6 4.6 514 489 A 17 GLN H A 18 ASN H 1.0 2.1 3.6 515 490 A 18 ASN HB3 A 18 ASN HA 1.0 2.0 3.6 516 491 A 18 ASN HB2 A 18 ASN HA 1.0 2.0 3.6 517 492 A 18 ASN HA A 19 GLU HA 1.0 2.5 4.3 518 493 A 18 ASN HA A 19 GLU H 1.0 1.9 3.2 519 494 A 18 ASN HA A 20 LEU H 1.0 3.1 5.4 520 495 A 18 ASN HB3 A 19 GLU H 1.0 2.2 6.0 521 496 A 18 ASN HB3 A 20 LEU H 1.0 2.4 4.7 522 497 A 18 ASN HB2 A 19 GLU H 1.0 2.2 6.0 523 498 A 18 ASN HB2 A 20 LEU H 1.0 2.3 4.7 524 499 A 18 ASN HD21 A 18 ASN HA 1.0 2.8 6.6 525 500 A 18 ASN HB3 A 18 ASN HD21 1.0 2.3 4.7 526 501 A 18 ASN HB2 A 18 ASN HD21 1.0 2.3 4.7 527 502 A 18 ASN HD21 A 18 ASN H 1.0 2.4 4.2 528 503 A 18 ASN HD21 A 21 VAL HG2% 1.0 2.9 7.7 529 504 A 18 ASN HD21 A 51 VAL HG1% 1.0 2.8 6.5 530 505 A 18 ASN HD21 A 51 VAL HG2% 1.0 2.8 6.5 531 506 A 18 ASN HD22 A 18 ASN HA 1.0 2.8 6.6 532 507 A 18 ASN HB3 A 18 ASN HD22 1.0 2.3 4.7 533 508 A 18 ASN HB2 A 18 ASN HD22 1.0 2.3 4.7 534 509 A 18 ASN HD22 A 18 ASN H 1.0 2.4 4.2 535 510 A 18 ASN HD22 A 21 VAL HG2% 1.0 2.9 7.7 536 511 A 18 ASN HD22 A 51 VAL HG2% 1.0 2.8 6.5 537 512 A 18 ASN H A 18 ASN HA 1.0 2.3 4.0 538 513 A 18 ASN HD21 A 18 ASN H 1.0 2.4 6.0 539 514 A 18 ASN HD22 A 18 ASN H 1.0 2.2 6.0 540 515 A 18 ASN H A 19 GLU H 1.0 2.6 4.4 541 516 A 21 VAL HG2% A 18 ASN H 1.0 2.2 4.3 542 517 A 19 GLU HA A 19 GLU HB3 1.0 1.7 3.2 543 518 A 19 GLU HA A 19 GLU HB2 1.0 1.7 3.2 544 519 A 19 GLU HA A 19 GLU HG3 1.0 2.1 3.7 545 520 A 19 GLU HA A 19 GLU HG2 1.0 2.1 3.7 546 521 A 19 GLU HA A 20 LEU HA 1.0 2.8 4.8 547 522 A 19 GLU HA A 20 LEU H 1.0 2.4 4.1 548 523 A 21 VAL HG2% A 19 GLU HA 1.0 4.1 8.1 549 524 A 19 GLU HA A 79 LYS HA 1.0 2.5 4.3 550 525 A 19 GLU HA A 79 LYS HB3 1.0 3.6 8.0 551 526 A 19 GLU HA A 79 LYS HB2 1.0 3.6 8.0 552 527 A 19 GLU HA A 79 LYS HEx 1.0 3.4 6.2 553 527 A 19 GLU HA A 79 LYS HEy 1.0 3.4 6.2 554 528 A 19 GLU HA A 80 ASN HA 1.0 2.1 3.6 555 529 A 19 GLU HA A 80 ASN HB3 1.0 3.1 5.6 556 530 A 19 GLU HA A 80 ASN HB2 1.0 3.1 5.6 557 531 A 19 GLU HA A 80 ASN HD21 1.0 3.3 5.6 558 532 A 19 GLU HA A 80 ASN H 1.0 2.2 3.7 559 533 A 81 GLY H A 19 GLU HA 1.0 2.8 4.8 560 534 A 19 GLU HB3 A 20 LEU HA 1.0 3.8 8.4 561 535 A 20 LEU H A 19 GLU HB3 1.0 2.1 3.7 562 536 A 19 GLU HB3 A 80 ASN H 1.0 3.0 5.3 563 537 A 19 GLU HB2 A 20 LEU HA 1.0 3.8 8.4 564 538 A 20 LEU H A 19 GLU HB2 1.0 2.1 3.7 565 539 A 19 GLU HB2 A 80 ASN H 1.0 3.0 5.3 566 540 A 19 GLU HG3 A 20 LEU HA 1.0 3.4 7.6 567 541 A 20 LEU H A 19 GLU HG3 1.0 2.3 6.5 568 542 A 19 GLU HG3 A 79 LYS HA 1.0 3.2 5.8 569 543 A 19 GLU HG3 A 80 ASN HD21 1.0 2.6 5.4 570 544 A 19 GLU HG3 A 80 ASN H 1.0 2.8 5.0 571 545 A 19 GLU HG2 A 20 LEU HA 1.0 3.4 7.6 572 546 A 20 LEU H A 19 GLU HG2 1.0 2.3 6.5 573 547 A 19 GLU HG2 A 79 LYS HA 1.0 3.2 5.8 574 548 A 19 GLU HG2 A 80 ASN HD21 1.0 2.6 5.4 575 549 A 19 GLU HG2 A 80 ASN H 1.0 2.8 5.0 576 550 A 19 GLU HA A 19 GLU H 1.0 2.2 3.7 577 551 A 19 GLU H A 19 GLU HG3 1.0 2.4 6.0 578 552 A 19 GLU H A 19 GLU HG2 1.0 2.4 6.0 579 553 A 19 GLU H A 20 LEU H 1.0 2.2 3.8 580 554 A 20 LEU HA A 20 LEU HBx 1.0 2.1 3.9 581 554 A 20 LEU HA A 20 LEU HBy 1.0 2.1 3.9 582 555 A 20 LEU HA A 20 LEU HD1% 1.0 2.3 4.8 583 556 A 20 LEU HA A 20 LEU HD2% 1.0 2.3 4.8 584 557 A 20 LEU HA A 20 LEU HG 1.0 2.3 4.0 585 558 A 21 VAL HG2% A 20 LEU HA 1.0 2.9 5.7 586 559 A 21 VAL H A 20 LEU HA 1.0 1.8 3.1 587 560 A 20 LEU HA A 51 VAL H 1.0 3.3 5.6 588 561 A 78 TYR HB2 A 20 LEU HA 1.0 3.3 5.6 589 562 A 78 TYR H A 20 LEU HA 1.0 2.7 4.6 590 563 A 20 LEU HA A 79 LYS HA 1.0 2.2 3.8 591 564 A 20 LEU HA A 79 LYS HB3 1.0 3.3 7.4 592 565 A 20 LEU HA A 79 LYS HB2 1.0 3.3 7.4 593 566 A 79 LYS H A 20 LEU HA 1.0 3.5 6.0 594 567 A 20 LEU HA A 80 ASN H 1.0 2.7 4.6 595 568 A 20 LEU HA A 84 VAL HG1% 1.0 3.9 7.8 596 569 A 21 VAL HA A 20 LEU HBx 1.0 3.0 5.6 597 569 A 21 VAL HA A 20 LEU HBy 1.0 3.0 5.6 598 570 A 21 VAL H A 20 LEU HBx 1.0 2.2 4.0 599 570 A 21 VAL H A 20 LEU HBy 1.0 2.2 4.0 600 571 A 51 VAL H A 20 LEU HBx 1.0 2.7 5.1 601 571 A 20 LEU HBy A 51 VAL H 1.0 2.7 5.1 602 572 A 77 VAL HG1% A 20 LEU HBx 1.0 3.1 6.6 603 572 A 20 LEU HBy A 77 VAL HG1% 1.0 3.1 6.6 604 573 A 79 LYS HA A 20 LEU HBx 1.0 3.0 5.6 605 573 A 79 LYS HA A 20 LEU HBy 1.0 3.0 5.6 606 574 A 80 ASN H A 20 LEU HBx 1.0 3.3 6.1 607 574 A 80 ASN H A 20 LEU HBy 1.0 3.3 6.1 608 575 A 20 LEU HD1% A 77 VAL HG1% 1.0 2.5 6.4 609 576 A 78 TYR H A 20 LEU HD1% 1.0 3.6 7.7 610 577 A 79 LYS HA A 20 LEU HD1% 1.0 2.7 5.6 611 578 A 80 ASN H A 20 LEU HD1% 1.0 3.4 7.4 612 579 A 20 LEU HD1% A 102 TYR HE% 1.0 2.8 8.6 613 580 A 20 LEU HD2% A 77 VAL HG1% 1.0 2.5 6.4 614 581 A 78 TYR H A 20 LEU HD2% 1.0 3.6 7.7 615 582 A 79 LYS HA A 20 LEU HD2% 1.0 2.7 5.6 616 583 A 80 ASN H A 20 LEU HD2% 1.0 3.4 7.4 617 584 A 20 LEU HD2% A 102 TYR HE% 1.0 2.8 8.6 618 585 A 21 VAL H A 20 LEU HG 1.0 2.6 4.4 619 586 A 20 LEU HG A 51 VAL H 1.0 2.9 5.0 620 587 A 20 LEU HG A 77 VAL HG1% 1.0 2.7 5.5 621 588 A 20 LEU H A 20 LEU HA 1.0 2.2 3.8 622 589 A 20 LEU H A 20 LEU HBx 1.0 2.0 3.6 623 589 A 20 LEU H A 20 LEU HBy 1.0 2.0 3.6 624 590 A 20 LEU H A 20 LEU HD1% 1.0 2.9 5.9 625 591 A 20 LEU H A 20 LEU HD2% 1.0 2.9 5.9 626 592 A 21 VAL HG2% A 20 LEU H 1.0 2.7 5.5 627 593 A 21 VAL H A 20 LEU H 1.0 2.9 4.9 628 594 A 20 LEU H A 50 MET HA 1.0 2.5 4.3 629 595 A 51 VAL HG2% A 20 LEU H 1.0 3.4 6.7 630 596 A 20 LEU H A 79 LYS HA 1.0 3.1 5.4 631 597 A 20 LEU H A 80 ASN H 1.0 3.4 5.9 632 598 A 21 VAL HA A 21 VAL HG1% 1.0 2.2 4.5 633 599 A 21 VAL HA A 21 VAL HG2% 1.0 2.3 4.6 634 600 A 21 VAL HA A 21 VAL H 1.0 2.3 4.0 635 601 A 21 VAL HA A 22 ILE HA 1.0 3.3 5.6 636 602 A 21 VAL HA A 22 ILE HB 1.0 3.0 5.2 637 603 A 21 VAL HA A 22 ILE HG2% 1.0 2.7 5.5 638 604 A 22 ILE H A 21 VAL HA 1.0 1.9 3.2 639 605 A 21 VAL HA A 51 VAL HA 1.0 3.1 5.3 640 606 A 51 VAL HG1% A 21 VAL HA 1.0 2.9 5.9 641 607 A 51 VAL HG2% A 21 VAL HA 1.0 2.7 5.3 642 608 A 21 VAL HA A 51 VAL H 1.0 2.2 3.7 643 609 A 21 VAL HA A 21 VAL HB 1.0 2.6 4.4 644 610 A 22 ILE H A 21 VAL HB 1.0 2.8 4.8 645 611 A 21 VAL HB A 78 TYR HB3 1.0 2.1 3.6 646 612 A 21 VAL HB A 78 TYR HB2 1.0 2.3 4.0 647 613 A 21 VAL HB A 78 TYR H 1.0 2.8 4.8 648 614 A 22 ILE H A 21 VAL HG1% 1.0 2.3 4.6 649 615 A 21 VAL HG1% A 51 VAL H 1.0 3.4 6.9 650 616 A 21 VAL HG1% A 52 PHE H 1.0 3.4 6.9 651 617 A 21 VAL HG1% A 78 TYR H 1.0 3.4 6.7 652 618 A 22 ILE H A 21 VAL HG2% 1.0 2.7 5.5 653 619 A 21 VAL HG2% A 51 VAL H 1.0 2.6 5.2 654 620 A 21 VAL HG2% A 52 PHE H 1.0 4.1 8.1 655 621 A 21 VAL HG2% A 78 TYR H 1.0 3.6 7.1 656 622 A 21 VAL HB A 21 VAL H 1.0 2.2 3.8 657 623 A 21 VAL HG2% A 21 VAL H 1.0 2.3 4.6 658 624 A 21 VAL H A 22 ILE HA 1.0 2.9 5.0 659 625 A 21 VAL H A 51 VAL H 1.0 3.3 5.6 660 626 A 21 VAL H A 77 VAL HG1% 1.0 2.8 5.6 661 627 A 21 VAL H A 77 VAL HG2% 1.0 3.1 6.3 662 628 A 21 VAL H A 78 TYR HB2 1.0 2.7 4.7 663 629 A 21 VAL H A 78 TYR H 1.0 2.4 4.2 664 630 A 21 VAL H A 79 LYS HA 1.0 2.4 4.2 665 631 A 21 VAL H A 80 ASN H 1.0 3.0 5.2 666 632 A 22 ILE HA A 22 ILE HB 1.0 2.1 3.6 667 633 A 22 ILE HA A 22 ILE HD1% 1.0 2.4 4.8 668 634 A 22 ILE HA A 22 ILE HG13 1.0 2.3 4.2 669 635 A 22 ILE HA A 22 ILE HG12 1.0 2.3 4.2 670 636 A 22 ILE HA A 22 ILE HG2% 1.0 2.7 5.3 671 637 A 23 VAL HA A 22 ILE HA 1.0 3.1 5.4 672 638 A 23 VAL HG1% A 22 ILE HA 1.0 2.3 9.2 673 639 A 23 VAL HG2% A 22 ILE HA 1.0 2.3 9.2 674 640 A 22 ILE HA A 23 VAL H 1.0 2.0 3.5 675 641 A 22 ILE HA A 75 PHE HB3 1.0 3.4 7.6 676 642 A 22 ILE HA A 75 PHE HB2 1.0 3.4 7.6 677 643 A 77 VAL HG1% A 22 ILE HA 1.0 2.7 5.5 678 644 A 22 ILE HA A 77 VAL HG2% 1.0 2.6 5.2 679 645 A 78 TYR HD% A 22 ILE HA 1.0 2.7 6.2 680 646 A 78 TYR H A 22 ILE HA 1.0 2.4 4.2 681 647 A 84 VAL HG1% A 22 ILE HA 1.0 3.7 7.4 682 648 A 22 ILE HB A 23 VAL H 1.0 2.3 4.0 683 649 A 22 ILE HB A 52 PHE HA 1.0 3.1 5.4 684 650 A 77 VAL HG1% A 22 ILE HB 1.0 2.7 5.3 685 651 A 78 TYR H A 22 ILE HB 1.0 2.9 4.9 686 652 A 22 ILE HD1% A 23 VAL H 1.0 2.4 4.8 687 653 A 22 ILE HD1% A 75 PHE HA 1.0 2.9 5.9 688 654 A 22 ILE HD1% A 75 PHE HB3 1.0 2.7 6.2 689 655 A 22 ILE HD1% A 75 PHE HB2 1.0 2.7 6.2 690 656 A 22 ILE HD1% A 75 PHE H 1.0 3.6 7.1 691 657 A 22 ILE HG13 A 23 VAL H 1.0 2.2 4.3 692 658 A 22 ILE HG13 A 40 TYR HE% 1.0 2.4 6.7 693 659 A 22 ILE HG13 A 52 PHE HE% 1.0 2.4 6.6 694 660 A 22 ILE HG12 A 23 VAL H 1.0 2.2 4.3 695 661 A 22 ILE HG2% A 22 ILE HG13 1.0 1.8 5.4 696 662 A 22 ILE HG2% A 22 ILE HG12 1.0 1.8 5.4 697 663 A 22 ILE HG2% A 23 VAL H 1.0 2.7 5.3 698 664 A 22 ILE HG2% A 24 ASP H 1.0 4.1 8.3 699 665 A 22 ILE HG2% A 50 MET HB3 1.0 2.6 5.2 700 666 A 22 ILE HG2% A 50 MET HG3 1.0 1.7 6.1 701 667 A 22 ILE HG2% A 50 MET HG2 1.0 1.7 6.1 702 668 A 22 ILE HG2% A 52 PHE HA 1.0 2.2 4.5 703 669 A 22 ILE HG2% A 52 PHE HB3 1.0 3.1 6.2 704 670 A 22 ILE HG2% A 52 PHE HB2 1.0 3.1 6.2 705 671 A 52 PHE HD% A 22 ILE HG2% 1.0 2.4 6.3 706 672 A 22 ILE HG2% A 52 PHE HE% 1.0 2.2 5.6 707 673 A 22 ILE HG2% A 52 PHE H 1.0 3.0 6.0 708 674 A 22 ILE HG2% A 52 PHE HZ 1.0 2.2 4.3 709 675 A 53 ILE H A 22 ILE HG2% 1.0 2.4 4.9 710 676 A 22 ILE HG2% A 77 VAL HB 1.0 4.2 8.4 711 677 A 77 VAL HG1% A 22 ILE HG2% 1.0 2.4 5.6 712 678 A 78 TYR H A 22 ILE HG2% 1.0 3.5 7.0 713 679 A 22 ILE H A 22 ILE HA 1.0 2.5 4.3 714 680 A 22 ILE H A 22 ILE HB 1.0 2.5 4.3 715 681 A 22 ILE H A 22 ILE HD1% 1.0 2.9 5.7 716 682 A 22 ILE H A 22 ILE HG13 1.0 3.2 5.5 717 683 A 22 ILE H A 22 ILE HG12 1.0 3.2 5.5 718 684 A 22 ILE H A 22 ILE HG2% 1.0 2.2 4.3 719 685 A 23 VAL HG1% A 22 ILE H 1.0 3.3 9.1 720 686 A 23 VAL HG2% A 22 ILE H 1.0 3.3 9.1 721 687 A 22 ILE H A 23 VAL H 1.0 2.9 5.0 722 688 A 22 ILE H A 50 MET HA 1.0 2.9 5.0 723 689 A 22 ILE H A 50 MET HG3 1.0 2.3 6.1 724 690 A 22 ILE H A 50 MET HG2 1.0 2.3 6.1 725 691 A 22 ILE H A 51 VAL HA 1.0 3.5 6.0 726 692 A 51 VAL HG1% A 22 ILE H 1.0 3.1 6.3 727 693 A 51 VAL HG2% A 22 ILE H 1.0 3.1 6.3 728 694 A 22 ILE H A 51 VAL H 1.0 2.5 4.3 729 695 A 22 ILE H A 52 PHE HA 1.0 2.4 4.1 730 696 A 22 ILE H A 52 PHE H 1.0 3.0 5.2 731 697 A 53 ILE H A 22 ILE H 1.0 2.4 4.2 732 698 A 22 ILE H A 78 TYR H 1.0 3.5 6.0 733 699 A 23 VAL HA A 24 ASP H 1.0 1.9 3.2 734 700 A 23 VAL HA A 52 PHE HA 1.0 2.9 5.0 735 701 A 53 ILE HA A 23 VAL HA 1.0 2.9 4.9 736 702 A 53 ILE H A 23 VAL HA 1.0 2.3 4.0 737 703 A 54 LYS HA A 23 VAL HA 1.0 2.7 4.6 738 704 A 23 VAL HB A 24 ASP H 1.0 2.5 4.3 739 705 A 23 VAL HG1% A 23 VAL HA 1.0 2.4 4.8 740 706 A 23 VAL HG1% A 23 VAL HB 1.0 1.9 4.3 741 707 A 23 VAL HG1% A 24 ASP H 1.0 2.4 6.7 742 708 A 23 VAL HG1% A 25 PHE HA 1.0 3.1 8.7 743 709 A 23 VAL HG1% A 25 PHE HD% 1.0 2.3 7.8 744 710 A 25 PHE HE% A 23 VAL HG1% 1.0 2.0 5.4 745 711 A 23 VAL HG1% A 25 PHE H 1.0 3.1 8.7 746 712 A 23 VAL HG1% A 25 PHE HZ 1.0 2.7 6.4 747 713 A 26 PHE HD% A 23 VAL HG1% 1.0 2.4 9.4 748 714 A 23 VAL HG1% A 26 PHE H 1.0 3.1 8.8 749 715 A 53 ILE HA A 23 VAL HG1% 1.0 3.4 8.7 750 716 A 23 VAL HG1% A 53 ILE HB 1.0 3.0 6.7 751 717 A 23 VAL HG1% A 53 ILE HG13 1.0 2.1 4.9 752 718 A 23 VAL HG1% A 53 ILE HG13 1.0 2.7 7.8 753 719 A 23 VAL HG1% A 53 ILE HG2% 1.0 1.8 9.4 754 720 A 54 LYS HA A 23 VAL HG1% 1.0 2.8 8.1 755 721 A 55 VAL HA A 23 VAL HG1% 1.0 3.6 9.8 756 722 A 23 VAL HG1% A 55 VAL HGx% 1.0 2.2 7.6 757 723 A 23 VAL HG1% A 55 VAL HGy% 1.0 2.2 7.5 758 724 A 55 VAL H A 23 VAL HG1% 1.0 2.7 7.6 759 725 A 23 VAL HG1% A 67 GLU HGx 1.0 1.8 11.4 760 725 A 67 GLU HGy A 23 VAL HG1% 1.0 1.8 11.4 761 726 A 23 VAL HG1% A 69 ILE HD1% 1.0 3.6 10.8 762 727 A 23 VAL HG1% A 75 PHE HA 1.0 3.4 8.0 763 728 A 23 VAL HG1% A 75 PHE HE% 1.0 3.9 10.3 764 729 A 23 VAL HG1% A 76 LYS H 1.0 2.9 6.0 765 730 A 23 VAL HG1% A 78 TYR HD% 1.0 2.4 7.4 766 731 A 23 VAL HG1% A 78 TYR HE% 1.0 2.2 5.9 767 732 A 23 VAL HG1% A 78 TYR H 1.0 3.3 9.1 768 733 A 23 VAL HG2% A 23 VAL HA 1.0 2.4 4.8 769 734 A 23 VAL HG2% A 23 VAL HB 1.0 1.9 4.3 770 735 A 23 VAL HG1% A 23 VAL HG2% 1.0 2.2 3.8 771 736 A 23 VAL HG2% A 24 ASP H 1.0 2.4 6.7 772 737 A 23 VAL HG2% A 25 PHE HA 1.0 3.1 8.7 773 738 A 23 VAL HG2% A 25 PHE HD% 1.0 2.3 7.8 774 739 A 25 PHE HE% A 23 VAL HG2% 1.0 2.0 5.4 775 740 A 23 VAL HG2% A 25 PHE H 1.0 3.1 8.7 776 741 A 23 VAL HG2% A 25 PHE HZ 1.0 2.7 6.4 777 742 A 26 PHE HD% A 23 VAL HG2% 1.0 2.4 9.4 778 743 A 23 VAL HG2% A 26 PHE H 1.0 3.1 8.8 779 744 A 53 ILE HA A 23 VAL HG2% 1.0 3.4 8.7 780 745 A 23 VAL HG2% A 53 ILE HB 1.0 3.0 6.7 781 746 A 23 VAL HG2% A 53 ILE HG13 1.0 2.1 4.9 782 747 A 23 VAL HG2% A 53 ILE HG12 1.0 2.7 7.8 783 748 A 23 VAL HG2% A 53 ILE HG2% 1.0 1.8 9.4 784 749 A 54 LYS HA A 23 VAL HG2% 1.0 2.8 8.1 785 750 A 55 VAL HA A 23 VAL HG2% 1.0 3.6 9.8 786 751 A 23 VAL HG2% A 55 VAL HGx% 1.0 2.2 7.6 787 752 A 23 VAL HG2% A 55 VAL HGy% 1.0 2.2 7.5 788 753 A 55 VAL H A 23 VAL HG2% 1.0 2.7 7.6 789 754 A 23 VAL HG2% A 67 GLU HGx 1.0 1.8 11.4 790 754 A 67 GLU HGy A 23 VAL HG2% 1.0 1.8 11.4 791 755 A 23 VAL HG2% A 69 ILE HD1% 1.0 3.6 10.8 792 756 A 23 VAL HG2% A 75 PHE HA 1.0 3.4 8.0 793 757 A 23 VAL HG2% A 75 PHE HE% 1.0 3.9 10.3 794 758 A 23 VAL HG2% A 76 LYS H 1.0 2.9 6.0 795 759 A 23 VAL HG2% A 78 TYR HD% 1.0 2.4 7.4 796 760 A 23 VAL HG2% A 78 TYR HE% 1.0 2.2 5.9 797 761 A 23 VAL HG2% A 78 TYR H 1.0 3.3 9.1 798 762 A 23 VAL HA A 23 VAL H 1.0 2.4 4.2 799 763 A 23 VAL HB A 23 VAL H 1.0 2.4 4.1 800 764 A 23 VAL HG1% A 23 VAL H 1.0 2.4 5.6 801 765 A 23 VAL HG2% A 23 VAL H 1.0 2.4 5.6 802 766 A 23 VAL H A 24 ASP H 1.0 2.8 4.8 803 767 A 53 ILE H A 23 VAL H 1.0 2.8 4.8 804 768 A 23 VAL H A 75 PHE HA 1.0 2.8 4.8 805 769 A 23 VAL H A 77 VAL HA 1.0 2.7 4.6 806 770 A 77 VAL HG1% A 23 VAL H 1.0 3.1 6.2 807 771 A 78 TYR HD% A 23 VAL H 1.0 2.7 6.1 808 772 A 78 TYR HE% A 23 VAL H 1.0 2.8 6.4 809 773 A 78 TYR H A 23 VAL H 1.0 2.9 5.0 810 774 A 25 PHE H A 24 ASP HA 1.0 2.0 3.5 811 775 A 75 PHE HA A 24 ASP HA 1.0 2.2 3.8 812 776 A 24 ASP HA A 75 PHE HD% 1.0 2.0 4.6 813 777 A 75 PHE HE% A 24 ASP HA 1.0 2.2 5.0 814 778 A 76 LYS H A 24 ASP HA 1.0 2.8 4.8 815 779 A 25 PHE H A 24 ASP HB3 1.0 2.4 7.2 816 780 A 26 PHE H A 24 ASP HB3 1.0 2.6 6.2 817 781 A 54 LYS HA A 24 ASP HB3 1.0 2.4 6.0 818 782 A 75 PHE HD% A 24 ASP HB3 1.0 2.1 4.6 819 783 A 75 PHE HE% A 24 ASP HB3 1.0 2.1 4.6 820 784 A 25 PHE H A 24 ASP HB2 1.0 2.4 7.2 821 785 A 26 PHE H A 24 ASP HB2 1.0 2.6 6.2 822 786 A 54 LYS HA A 24 ASP HB2 1.0 2.4 6.0 823 787 A 75 PHE HD% A 24 ASP HB2 1.0 2.1 4.6 824 788 A 75 PHE HE% A 24 ASP HB2 1.0 2.1 4.6 825 789 A 24 ASP H A 24 ASP HB3 1.0 2.4 4.3 826 790 A 24 ASP H A 24 ASP HB2 1.0 2.4 4.3 827 791 A 24 ASP H A 25 PHE H 1.0 2.9 4.9 828 792 A 52 PHE HA A 24 ASP H 1.0 3.4 5.9 829 793 A 53 ILE H A 24 ASP H 1.0 2.6 4.4 830 794 A 54 LYS HA A 24 ASP H 1.0 2.2 3.7 831 795 A 55 VAL H A 24 ASP H 1.0 2.4 4.1 832 796 A 25 PHE HA A 25 PHE HB3 1.0 2.4 5.8 833 797 A 25 PHE HA A 25 PHE HB2 1.0 2.4 5.8 834 798 A 25 PHE HA A 25 PHE HD% 1.0 2.4 5.4 835 799 A 25 PHE HA A 25 PHE H 1.0 2.4 4.2 836 800 A 26 PHE HE% A 25 PHE HA 1.0 2.5 5.8 837 801 A 54 LYS HA A 25 PHE HA 1.0 2.9 4.9 838 802 A 25 PHE HA A 55 VAL HGy% 1.0 2.6 7.4 839 802 A 25 PHE HA A 55 VAL HGx% 1.0 2.6 7.4 840 803 A 55 VAL H A 25 PHE HA 1.0 2.2 3.7 841 804 A 55 VAL H A 25 PHE HA 1.0 2.3 4.0 842 805 A 25 PHE HA A 57 VAL HA 1.0 3.5 6.0 843 806 A 63 VAL HG1% A 25 PHE HA 1.0 3.5 7.0 844 807 A 69 ILE HD1% A 25 PHE HA 1.0 3.6 7.1 845 808 A 26 PHE HD% A 25 PHE HB3 1.0 2.4 8.5 846 809 A 26 PHE H A 25 PHE HB3 1.0 2.6 4.9 847 810 A 55 VAL H A 25 PHE HB3 1.0 2.7 6.4 848 811 A 69 ILE HD1% A 25 PHE HB3 1.0 2.8 5.6 849 812 A 25 PHE HB3 A 74 THR HG1 1.0 2.8 5.5 850 813 A 25 PHE HB3 A 74 THR HG2% 1.0 3.1 6.9 851 814 A 25 PHE HB3 A 74 THR H 1.0 2.7 4.7 852 815 A 75 PHE HA A 25 PHE HB3 1.0 3.2 7.6 853 816 A 75 PHE HE% A 25 PHE HB3 1.0 3.5 8.8 854 817 A 26 PHE HD% A 25 PHE HB2 1.0 2.4 8.5 855 818 A 26 PHE H A 25 PHE HB2 1.0 2.6 4.9 856 819 A 55 VAL H A 25 PHE HB2 1.0 2.7 6.4 857 820 A 69 ILE HD1% A 25 PHE HB2 1.0 2.8 5.6 858 821 A 25 PHE HB2 A 74 THR HG1 1.0 2.8 5.5 859 822 A 25 PHE HB2 A 74 THR HG2% 1.0 3.1 6.9 860 823 A 25 PHE HB2 A 74 THR H 1.0 2.3 4.8 861 824 A 75 PHE HA A 25 PHE HB2 1.0 3.2 7.6 862 825 A 75 PHE HE% A 25 PHE HB2 1.0 3.5 8.8 863 826 A 25 PHE HD% A 25 PHE H 1.0 2.2 5.0 864 827 A 25 PHE HD% A 26 PHE H 1.0 2.7 6.1 865 828 A 25 PHE HD% A 55 VAL HGy% 1.0 1.7 5.0 866 828 A 25 PHE HD% A 55 VAL HGx% 1.0 1.7 5.0 867 829 A 55 VAL H A 25 PHE HD% 1.0 2.7 6.1 868 830 A 63 VAL HG1% A 25 PHE HD% 1.0 2.2 5.6 869 831 A 25 PHE HD% A 74 THR HB 1.0 2.4 5.6 870 832 A 78 TYR HE% A 25 PHE HD% 1.0 2.7 7.8 871 833 A 25 PHE HE% A 25 PHE HA 1.0 2.9 6.6 872 834 A 25 PHE HE% A 25 PHE HB3 1.0 2.6 7.0 873 835 A 25 PHE HE% A 25 PHE HB2 1.0 2.6 7.0 874 836 A 25 PHE HE% A 25 PHE H 1.0 2.7 6.1 875 837 A 25 PHE HE% A 55 VAL HGy% 1.0 2.0 5.8 876 837 A 25 PHE HE% A 55 VAL HGx% 1.0 2.0 5.8 877 838 A 63 VAL HG1% A 25 PHE HE% 1.0 2.2 5.6 878 839 A 25 PHE HE% A 64 THR HA 1.0 2.9 6.6 879 840 A 25 PHE HE% A 67 GLU HGx 1.0 2.3 5.6 880 840 A 25 PHE HE% A 67 GLU HGy 1.0 2.3 5.6 881 841 A 25 PHE HE% A 69 ILE HD1% 1.0 2.5 6.5 882 842 A 25 PHE HE% A 74 THR HB 1.0 2.9 6.7 883 843 A 25 PHE HE% A 76 LYS HA 1.0 2.7 6.2 884 844 A 25 PHE HE% A 76 LYS HE3 1.0 2.4 5.9 885 845 A 25 PHE HE% A 76 LYS HE2 1.0 2.4 5.9 886 846 A 25 PHE HE% A 76 LYS H 1.0 2.4 5.6 887 847 A 25 PHE HE% A 78 TYR HD% 1.0 3.1 9.0 888 848 A 25 PHE HE% A 78 TYR HE% 1.0 2.2 6.4 889 849 A 25 PHE H A 25 PHE HB3 1.0 2.4 4.2 890 850 A 25 PHE H A 25 PHE HB2 1.0 2.4 4.2 891 851 A 25 PHE HE% A 25 PHE H 1.0 2.7 6.1 892 852 A 26 PHE HD% A 25 PHE H 1.0 2.9 6.7 893 853 A 25 PHE H A 26 PHE H 1.0 2.9 4.9 894 854 A 54 LYS HA A 25 PHE H 1.0 3.3 5.6 895 855 A 55 VAL H A 25 PHE H 1.0 2.9 5.0 896 856 A 69 ILE HD1% A 25 PHE H 1.0 3.6 7.1 897 857 A 25 PHE H A 69 ILE HG2% 1.0 3.4 6.9 898 858 A 25 PHE H A 74 THR HB 1.0 3.0 5.2 899 859 A 25 PHE H A 74 THR HG2% 1.0 3.3 6.6 900 860 A 25 PHE H A 74 THR H 1.0 2.8 4.8 901 861 A 75 PHE HA A 25 PHE H 1.0 2.7 4.6 902 862 A 25 PHE H A 75 PHE HE% 1.0 3.4 7.7 903 863 A 25 PHE H A 76 LYS H 1.0 3.1 5.3 904 864 A 63 VAL HG1% A 25 PHE HZ 1.0 2.7 5.3 905 865 A 25 PHE HZ A 67 GLU HGx 1.0 2.3 4.3 906 865 A 67 GLU HGy A 25 PHE HZ 1.0 2.3 4.3 907 866 A 26 PHE HA A 26 PHE HB3 1.0 2.1 3.8 908 867 A 26 PHE HA A 26 PHE HB2 1.0 2.1 3.8 909 868 A 26 PHE HA A 72 MET HB2 1.0 2.9 5.3 910 868 A 26 PHE HA A 72 MET HB3 1.0 2.9 5.3 911 869 A 26 PHE HA A 72 MET HG3 1.0 2.8 4.9 912 870 A 26 PHE HA A 72 MET HG2 1.0 2.8 4.9 913 871 A 26 PHE HA A 73 PRO HB3 1.0 3.2 7.3 914 872 A 26 PHE HA A 73 PRO HB2 1.0 3.2 7.3 915 873 A 26 PHE HA A 73 PRO HG3 1.0 3.0 7.0 916 874 A 26 PHE HA A 73 PRO HG2 1.0 3.0 7.0 917 875 A 26 PHE HB3 A 27 ALA H 1.0 2.2 5.5 918 876 A 26 PHE HB2 A 27 ALA H 1.0 2.2 5.5 919 877 A 26 PHE HD% A 26 PHE HA 1.0 2.1 4.8 920 878 A 26 PHE HD% A 27 ALA HA 1.0 2.2 5.1 921 879 A 26 PHE HD% A 28 GLU HA 1.0 2.4 5.4 922 880 A 26 PHE HD% A 28 GLU HGy 1.0 2.4 7.1 923 881 A 26 PHE HD% A 28 GLU HGx 1.0 2.4 7.1 924 882 A 26 PHE HD% A 28 GLU H 1.0 2.9 6.6 925 883 A 26 PHE HD% A 54 LYS HA 1.0 2.5 5.8 926 884 A 26 PHE HD% A 55 VAL HA 1.0 2.9 6.6 927 885 A 26 PHE HD% A 55 VAL HGy% 1.0 2.9 8.2 928 885 A 26 PHE HD% A 55 VAL HGx% 1.0 2.9 8.2 929 886 A 26 PHE HD% A 55 VAL H 1.0 2.1 4.8 930 887 A 26 PHE HD% A 56 ASP HA 1.0 2.4 5.6 931 888 A 26 PHE HD% A 56 ASP HB3 1.0 3.2 7.3 932 889 A 26 PHE HD% A 56 ASP HB2 1.0 3.2 7.3 933 890 A 26 PHE HD% A 57 VAL H 1.0 2.7 6.2 934 891 A 26 PHE HE% A 26 PHE HB3 1.0 2.9 7.5 935 892 A 26 PHE HE% A 26 PHE HB2 1.0 2.9 7.5 936 893 A 26 PHE HD% A 26 PHE HE% 1.0 1.7 5.0 937 894 A 26 PHE HE% A 26 PHE H 1.0 2.3 5.3 938 895 A 26 PHE HE% A 27 ALA HA 1.0 2.7 6.1 939 896 A 26 PHE HE% A 28 GLU HA 1.0 2.1 4.8 940 897 A 26 PHE HE% A 28 GLU HBy 1.0 2.6 6.3 941 897 A 26 PHE HE% A 28 GLU HBx 1.0 2.6 6.3 942 898 A 26 PHE HE% A 28 GLU H 1.0 2.9 6.6 943 899 A 26 PHE HE% A 54 LYS HA 1.0 2.6 5.9 944 900 A 26 PHE HE% A 54 LYS HB2 1.0 2.0 4.8 945 900 A 26 PHE HE% A 54 LYS HB3 1.0 2.0 4.8 946 901 A 26 PHE HE% A 54 LYS HDx 1.0 2.7 6.6 947 901 A 54 LYS HDy A 26 PHE HE% 1.0 2.7 6.6 948 902 A 26 PHE HE% A 54 LYS HG3 1.0 2.3 5.0 949 903 A 26 PHE HE% A 54 LYS HG2 1.0 2.3 5.0 950 904 A 54 LYS H A 26 PHE HE% 1.0 2.6 5.9 951 905 A 26 PHE HE% A 55 VAL H 1.0 2.4 5.6 952 906 A 26 PHE HE% A 56 ASP HB3 1.0 2.3 4.9 953 907 A 26 PHE HE% A 56 ASP HB2 1.0 2.3 4.9 954 908 A 26 PHE HE% A 56 ASP H 1.0 2.4 5.4 955 909 A 26 PHE HE% A 57 VAL H 1.0 2.9 6.7 956 910 A 26 PHE HE% A 57 VAL H 1.0 3.1 7.2 957 911 A 26 PHE H A 26 PHE HB3 1.0 2.6 5.0 958 912 A 26 PHE H A 26 PHE HB2 1.0 2.6 5.0 959 913 A 26 PHE HD% A 26 PHE H 1.0 2.0 4.5 960 914 A 26 PHE HE% A 26 PHE H 1.0 2.5 5.8 961 915 A 26 PHE H A 27 ALA H 1.0 2.7 4.6 962 916 A 26 PHE H A 56 ASP HA 1.0 2.7 4.6 963 917 A 56 ASP H A 26 PHE H 1.0 3.1 5.3 964 918 A 26 PHE H A 57 VAL HG1% 1.0 2.4 6.7 965 919 A 26 PHE H A 57 VAL HG2% 1.0 2.4 6.7 966 920 A 26 PHE H A 57 VAL H 1.0 2.5 4.3 967 921 A 26 PHE HD% A 26 PHE HZ 1.0 2.2 5.0 968 922 A 26 PHE HZ A 26 PHE H 1.0 3.1 5.7 969 923 A 26 PHE HZ A 55 VAL H 1.0 3.2 5.5 970 924 A 26 PHE HZ A 56 ASP HB3 1.0 2.5 6.1 971 925 A 26 PHE HZ A 56 ASP HB2 1.0 2.5 6.1 972 926 A 27 ALA HA A 28 GLU H 1.0 2.0 3.5 973 927 A 27 ALA HA A 29 TRP HE1 1.0 3.2 5.5 974 928 A 27 ALA HA A 57 VAL H 1.0 2.7 4.7 975 929 A 27 ALA HA A 58 ASP H 1.0 3.2 5.5 976 930 A 28 GLU H A 27 ALA HB% 1.0 2.1 4.2 977 931 A 57 VAL HG1% A 27 ALA HB% 1.0 2.4 8.0 978 932 A 57 VAL HG2% A 27 ALA HB% 1.0 2.4 8.0 979 933 A 57 VAL H A 27 ALA HB% 1.0 3.5 7.0 980 934 A 58 ASP H A 27 ALA HB% 1.0 3.9 7.8 981 935 A 27 ALA H A 27 ALA HA 1.0 2.6 4.4 982 936 A 27 ALA H A 27 ALA HB% 1.0 2.9 5.9 983 937 A 29 TRP HD1 A 28 GLU HBy 1.0 3.0 5.3 984 938 A 28 GLU HBx A 29 TRP HD1 1.0 3.0 5.3 985 939 A 29 TRP H A 28 GLU HGy 1.0 2.7 4.9 986 939 A 28 GLU HGx A 29 TRP H 1.0 2.7 4.9 987 940 A 28 GLU HA A 28 GLU H 1.0 2.2 3.7 988 941 A 28 GLU H A 28 GLU HBy 1.0 2.2 3.8 989 942 A 28 GLU H A 28 GLU HBx 1.0 2.2 3.8 990 943 A 28 GLU H A 29 TRP HD1 1.0 2.8 4.8 991 944 A 28 GLU H A 29 TRP HE1 1.0 3.5 6.0 992 945 A 29 TRP HB3 A 30 CYS H 1.0 3.1 5.4 993 946 A 29 TRP HB2 A 29 TRP HA 1.0 1.9 3.2 994 947 A 29 TRP HB2 A 29 TRP HA 1.0 2.3 4.0 995 948 A 29 TRP HD1 A 29 TRP HB3 1.0 2.2 3.8 996 949 A 29 TRP HD1 A 29 TRP HB2 1.0 2.6 4.4 997 950 A 29 TRP HE1 A 29 TRP HD1 1.0 2.0 3.4 998 951 A 29 TRP HE1 A 29 TRP HB3 1.0 3.4 5.9 999 952 A 29 TRP HE1 A 29 TRP HD1 1.0 2.0 3.4 1000 953 A 29 TRP HE1 A 29 TRP HE3 1.0 3.6 6.1 1001 954 A 29 TRP HE1 A 29 TRP HH2 1.0 2.9 4.9 1002 955 A 29 TRP HE1 A 29 TRP HZ2 1.0 2.2 3.7 1003 956 A 29 TRP HE1 A 29 TRP HZ3 1.0 3.8 6.6 1004 957 A 29 TRP HB3 A 29 TRP HE3 1.0 2.4 4.2 1005 958 A 29 TRP HB2 A 29 TRP HE3 1.0 2.6 4.4 1006 959 A 29 TRP HE1 A 29 TRP HE3 1.0 3.3 5.6 1007 960 A 29 TRP HE3 A 30 CYS HB3 1.0 3.1 7.1 1008 961 A 29 TRP HE3 A 30 CYS HB2 1.0 3.1 7.1 1009 962 A 29 TRP H A 29 TRP HB3 1.0 2.4 4.2 1010 963 A 29 TRP HE1 A 29 TRP HZ2 1.0 2.2 3.7 1011 964 A 29 TRP HH2 A 29 TRP HZ2 1.0 1.7 3.0 1012 965 A 57 VAL HG1% A 29 TRP HZ2 1.0 2.7 8.0 1013 966 A 57 VAL HG2% A 29 TRP HZ2 1.0 2.7 8.0 1014 967 A 29 TRP HH2 A 29 TRP HZ3 1.0 1.7 3.0 1015 968 A 30 CYS H A 30 CYS HA 1.0 2.5 4.3 1016 969 A 30 CYS H A 30 CYS HB3 1.0 2.3 4.3 1017 970 A 30 CYS H A 30 CYS HB2 1.0 2.3 4.3 1018 971 A 30 CYS H A 32 PRO HG3 1.0 2.6 6.7 1019 972 A 30 CYS H A 32 PRO HG2 1.0 2.6 6.7 1020 973 A 31 GLY HA3 A 34 LYS H 1.0 2.6 6.2 1021 974 A 34 LYS H A 31 GLY HA2 1.0 2.6 6.2 1022 975 A 32 PRO HA A 36 ILE HA 1.0 3.1 5.4 1023 976 A 32 PRO HA A 36 ILE HG2% 1.0 3.6 7.3 1024 977 A 34 LYS H A 32 PRO HB3 1.0 1.7 7.0 1025 978 A 35 ARG H A 32 PRO HB3 1.0 2.0 7.8 1026 979 A 36 ILE HA A 32 PRO HB3 1.0 2.8 6.6 1027 980 A 90 ALA HB% A 32 PRO HB3 1.0 2.4 6.6 1028 981 A 90 ALA H A 32 PRO HB3 1.0 3.4 7.7 1029 982 A 34 LYS H A 32 PRO HB2 1.0 1.7 7.0 1030 983 A 35 ARG H A 32 PRO HB2 1.0 2.0 7.8 1031 984 A 36 ILE HA A 32 PRO HB2 1.0 2.8 6.6 1032 985 A 90 ALA HB% A 32 PRO HB2 1.0 2.4 6.6 1033 986 A 90 ALA H A 32 PRO HB2 1.0 3.4 7.7 1034 987 A 34 LYS H A 33 CYS HA 1.0 2.4 4.2 1035 988 A 35 ARG H A 33 CYS HA 1.0 3.0 5.2 1036 989 A 36 ILE HG2% A 33 CYS HA 1.0 2.2 4.3 1037 990 A 90 ALA HB% A 33 CYS HA 1.0 4.1 8.3 1038 991 A 34 LYS HA A 34 LYS HB3 1.0 1.9 5.0 1039 992 A 34 LYS HA A 34 LYS HB2 1.0 1.9 5.0 1040 993 A 34 LYS HA A 34 LYS HD3 1.0 2.5 5.2 1041 994 A 34 LYS HA A 34 LYS HD2 1.0 2.5 5.2 1042 995 A 34 LYS HA A 34 LYS HG3 1.0 1.9 3.7 1043 996 A 34 LYS HA A 34 LYS HG2 1.0 1.9 3.7 1044 997 A 35 ARG H A 34 LYS HA 1.0 2.4 4.2 1045 998 A 36 ILE HG2% A 34 LYS HA 1.0 3.4 9.4 1046 999 A 34 LYS HA A 36 ILE H 1.0 3.1 5.4 1047 1000 A 35 ARG H A 34 LYS HB3 1.0 2.0 5.4 1048 1001 A 35 ARG H A 34 LYS HB2 1.0 2.0 5.4 1049 1002 A 35 ARG H A 34 LYS HG3 1.0 2.9 6.8 1050 1003 A 35 ARG H A 34 LYS HG2 1.0 2.9 6.8 1051 1004 A 34 LYS H A 34 LYS HA 1.0 2.2 3.7 1052 1005 A 34 LYS H A 34 LYS HB3 1.0 1.5 5.3 1053 1006 A 34 LYS H A 34 LYS HB2 1.0 1.5 5.3 1054 1007 A 34 LYS H A 34 LYS HG3 1.0 1.9 5.4 1055 1008 A 34 LYS H A 34 LYS HG2 1.0 1.9 5.4 1056 1009 A 34 LYS H A 35 ARG H 1.0 2.2 3.7 1057 1010 A 34 LYS H A 36 ILE HG2% 1.0 4.1 8.1 1058 1011 A 34 LYS H A 36 ILE H 1.0 3.1 5.4 1059 1012 A 34 LYS H A 37 ALA H 1.0 3.1 5.4 1060 1013 A 36 ILE HA A 35 ARG HA 1.0 3.3 5.6 1061 1014 A 36 ILE H A 35 ARG HA 1.0 2.3 4.0 1062 1015 A 37 ALA H A 35 ARG HA 1.0 2.9 5.0 1063 1016 A 36 ILE H A 35 ARG HB3 1.0 2.4 5.9 1064 1017 A 36 ILE H A 35 ARG HB2 1.0 2.4 5.9 1065 1018 A 36 ILE HA A 35 ARG HG3 1.0 3.4 7.7 1066 1019 A 36 ILE H A 35 ARG HG3 1.0 2.4 7.0 1067 1020 A 36 ILE HA A 35 ARG HG2 1.0 3.4 7.7 1068 1021 A 36 ILE H A 35 ARG HG2 1.0 2.4 7.0 1069 1022 A 35 ARG H A 35 ARG HA 1.0 2.0 3.5 1070 1023 A 35 ARG H A 35 ARG HB3 1.0 2.0 3.5 1071 1024 A 35 ARG H A 35 ARG HB2 1.0 2.0 3.5 1072 1025 A 35 ARG H A 35 ARG HD2 1.0 3.1 5.9 1073 1025 A 35 ARG H A 35 ARG HD3 1.0 3.1 5.9 1074 1026 A 35 ARG H A 35 ARG HG3 1.0 2.2 5.9 1075 1027 A 35 ARG H A 35 ARG HG2 1.0 2.2 5.9 1076 1028 A 36 ILE HA A 35 ARG H 1.0 3.1 5.3 1077 1029 A 35 ARG H A 36 ILE HB 1.0 2.9 4.9 1078 1030 A 36 ILE HG2% A 35 ARG H 1.0 3.3 6.6 1079 1031 A 35 ARG H A 36 ILE H 1.0 2.2 3.8 1080 1032 A 35 ARG H A 37 ALA HB% 1.0 3.0 6.0 1081 1033 A 35 ARG H A 37 ALA H 1.0 2.9 4.9 1082 1034 A 35 ARG H A 90 ALA HB% 1.0 3.7 7.4 1083 1035 A 36 ILE HA A 36 ILE HB 1.0 2.0 3.4 1084 1036 A 36 ILE HA A 36 ILE HD1% 1.0 2.4 4.9 1085 1037 A 36 ILE HA A 36 ILE HG13 1.0 2.0 4.2 1086 1038 A 36 ILE HA A 36 ILE HG12 1.0 2.0 4.2 1087 1039 A 36 ILE HA A 36 ILE HG2% 1.0 2.4 4.9 1088 1040 A 36 ILE HA A 37 ALA HB% 1.0 3.5 7.0 1089 1041 A 36 ILE HA A 37 ALA H 1.0 2.7 4.6 1090 1042 A 36 ILE HA A 38 PRO HDx 1.0 3.2 6.0 1091 1042 A 36 ILE HA A 38 PRO HDy 1.0 3.2 6.0 1092 1043 A 36 ILE HA A 39 PHE HB3 1.0 2.7 4.7 1093 1044 A 36 ILE HA A 39 PHE HB2 1.0 2.7 4.6 1094 1045 A 36 ILE HA A 39 PHE HD% 1.0 2.7 6.1 1095 1046 A 36 ILE HA A 39 PHE H 1.0 2.7 4.6 1096 1047 A 36 ILE HA A 40 TYR H 1.0 2.4 4.2 1097 1048 A 75 PHE HE% A 36 ILE HA 1.0 3.7 8.5 1098 1049 A 36 ILE HA A 75 PHE HZ 1.0 3.4 5.9 1099 1050 A 36 ILE HA A 90 ALA HB% 1.0 2.8 5.6 1100 1051 A 36 ILE HA A 92 ASP HA 1.0 2.7 4.6 1101 1052 A 75 PHE HE% A 36 ILE HB 1.0 2.2 5.0 1102 1053 A 90 ALA HB% A 36 ILE HB 1.0 1.9 3.8 1103 1054 A 36 ILE HD1% A 91 ASN H 1.0 2.7 5.5 1104 1055 A 39 PHE HD% A 36 ILE HD1% 1.0 2.3 5.9 1105 1056 A 75 PHE HE% A 36 ILE HD1% 1.0 2.3 5.9 1106 1057 A 75 PHE HZ A 36 ILE HD1% 1.0 2.2 4.5 1107 1058 A 90 ALA HB% A 36 ILE HD1% 1.0 2.1 4.8 1108 1059 A 36 ILE HD1% A 92 ASP H 1.0 3.0 6.0 1109 1060 A 36 ILE HD1% A 93 SER H 1.0 3.8 7.7 1110 1061 A 36 ILE HD1% A 95 LEU H 1.0 2.9 5.7 1111 1062 A 37 ALA H A 36 ILE HG13 1.0 1.8 5.6 1112 1063 A 36 ILE HG13 A 39 PHE HD% 1.0 2.4 6.2 1113 1064 A 40 TYR HD% A 36 ILE HG13 1.0 2.7 6.4 1114 1065 A 36 ILE HG13 A 40 TYR H 1.0 2.7 5.8 1115 1066 A 75 PHE HD% A 36 ILE HG13 1.0 2.0 5.7 1116 1067 A 75 PHE HE% A 36 ILE HG13 1.0 2.4 5.3 1117 1068 A 36 ILE HG13 A 75 PHE HZ 1.0 2.4 4.1 1118 1069 A 37 ALA H A 36 ILE HG12 1.0 1.8 5.6 1119 1070 A 36 ILE HG12 A 39 PHE HD% 1.0 2.4 6.2 1120 1071 A 40 TYR HD% A 36 ILE HG12 1.0 2.7 6.4 1121 1072 A 36 ILE HG12 A 40 TYR H 1.0 2.7 5.8 1122 1073 A 75 PHE HD% A 36 ILE HG12 1.0 2.0 5.7 1123 1074 A 75 PHE HE% A 36 ILE HG12 1.0 2.4 5.3 1124 1075 A 36 ILE HG12 A 75 PHE HZ 1.0 2.4 4.1 1125 1076 A 36 ILE HG2% A 36 ILE HB 1.0 2.0 3.9 1126 1077 A 36 ILE HG2% A 36 ILE HG13 1.0 2.2 6.3 1127 1078 A 36 ILE HG2% A 36 ILE HG12 1.0 2.1 6.0 1128 1079 A 36 ILE HG2% A 37 ALA H 1.0 2.4 4.8 1129 1080 A 36 ILE HG2% A 38 PRO HDx 1.0 3.6 7.8 1130 1080 A 36 ILE HG2% A 38 PRO HDy 1.0 3.6 7.8 1131 1081 A 36 ILE HG2% A 39 PHE HB2 1.0 4.3 8.7 1132 1082 A 36 ILE HG2% A 39 PHE HD% 1.0 3.2 8.3 1133 1083 A 36 ILE HG2% A 40 TYR HB3 1.0 3.7 8.0 1134 1084 A 36 ILE HG2% A 40 TYR HB2 1.0 3.7 8.0 1135 1085 A 36 ILE HG2% A 40 TYR H 1.0 3.4 6.9 1136 1086 A 75 PHE HD% A 36 ILE HG2% 1.0 3.1 7.9 1137 1087 A 75 PHE HE% A 36 ILE HG2% 1.0 2.2 5.6 1138 1088 A 36 ILE HG2% A 75 PHE HZ 1.0 2.2 4.3 1139 1089 A 36 ILE HG2% A 90 ALA HA 1.0 2.5 5.0 1140 1090 A 36 ILE HG2% A 90 ALA HB% 1.0 2.2 5.1 1141 1091 A 36 ILE HG2% A 95 LEU HD1% 1.0 3.9 9.0 1142 1092 A 36 ILE HA A 36 ILE H 1.0 2.2 3.8 1143 1093 A 36 ILE H A 36 ILE HB 1.0 2.0 3.5 1144 1094 A 36 ILE H A 36 ILE HD1% 1.0 2.9 5.9 1145 1095 A 36 ILE H A 36 ILE HG13 1.0 2.9 5.2 1146 1096 A 36 ILE H A 36 ILE HG12 1.0 2.9 5.2 1147 1097 A 36 ILE HG2% A 36 ILE H 1.0 2.2 4.3 1148 1098 A 36 ILE H A 37 ALA HB% 1.0 2.8 5.6 1149 1099 A 36 ILE H A 37 ALA H 1.0 2.0 3.5 1150 1100 A 36 ILE H A 38 PRO HDx 1.0 3.5 6.5 1151 1100 A 36 ILE H A 38 PRO HDy 1.0 3.5 6.5 1152 1101 A 90 ALA HB% A 36 ILE H 1.0 2.9 5.7 1153 1102 A 39 PHE H A 37 ALA HA 1.0 2.7 4.7 1154 1103 A 40 TYR HB3 A 37 ALA HA 1.0 2.2 4.1 1155 1104 A 40 TYR HB2 A 37 ALA HA 1.0 2.2 4.1 1156 1105 A 40 TYR HD% A 37 ALA HA 1.0 2.4 5.4 1157 1106 A 40 TYR H A 37 ALA HA 1.0 2.3 4.0 1158 1107 A 37 ALA HA A 41 GLU H 1.0 2.8 4.8 1159 1108 A 37 ALA HB% A 40 TYR H 1.0 3.1 6.3 1160 1109 A 37 ALA H A 37 ALA HA 1.0 2.2 3.7 1161 1110 A 37 ALA H A 37 ALA HB% 1.0 2.0 3.9 1162 1111 A 37 ALA H A 38 PRO HDx 1.0 2.0 3.6 1163 1111 A 37 ALA H A 38 PRO HDy 1.0 2.0 3.6 1164 1112 A 37 ALA H A 39 PHE H 1.0 2.7 4.7 1165 1113 A 39 PHE H A 38 PRO HA 1.0 2.3 4.0 1166 1114 A 40 TYR H A 38 PRO HA 1.0 2.9 5.0 1167 1115 A 41 GLU H A 38 PRO HA 1.0 2.3 4.0 1168 1116 A 38 PRO HA A 42 GLU H 1.0 3.1 5.3 1169 1117 A 39 PHE H A 38 PRO HB3 1.0 2.2 5.5 1170 1118 A 41 GLU H A 38 PRO HB3 1.0 3.5 7.8 1171 1119 A 39 PHE H A 38 PRO HB2 1.0 2.2 5.5 1172 1120 A 41 GLU H A 38 PRO HB2 1.0 3.5 7.8 1173 1121 A 39 PHE H A 38 PRO HDx 1.0 2.3 4.3 1174 1121 A 38 PRO HDy A 39 PHE H 1.0 2.3 4.3 1175 1122 A 40 TYR H A 38 PRO HDx 1.0 3.4 6.4 1176 1122 A 38 PRO HDy A 40 TYR H 1.0 3.4 6.4 1177 1123 A 41 GLU H A 38 PRO HDx 1.0 3.0 5.6 1178 1123 A 38 PRO HDy A 41 GLU H 1.0 3.0 5.6 1179 1124 A 40 TYR H A 39 PHE HA 1.0 2.4 4.2 1180 1125 A 41 GLU H A 39 PHE HA 1.0 3.1 5.3 1181 1126 A 42 GLU H A 39 PHE HA 1.0 2.5 4.3 1182 1127 A 39 PHE HA A 43 CYS H 1.0 2.7 4.6 1183 1128 A 39 PHE HB3 A 39 PHE HA 1.0 2.0 3.4 1184 1129 A 39 PHE HB3 A 39 PHE HB2 1.0 1.8 3.1 1185 1130 A 39 PHE HB3 A 40 TYR H 1.0 2.3 4.0 1186 1131 A 39 PHE HB2 A 39 PHE HA 1.0 1.9 3.2 1187 1132 A 39 PHE HB2 A 40 TYR H 1.0 2.4 4.1 1188 1133 A 39 PHE HB2 A 41 GLU H 1.0 3.2 5.5 1189 1134 A 39 PHE HD% A 39 PHE HA 1.0 1.8 4.2 1190 1135 A 39 PHE HB3 A 39 PHE HD% 1.0 1.9 4.3 1191 1136 A 39 PHE HB2 A 39 PHE HD% 1.0 1.9 4.3 1192 1137 A 39 PHE HD% A 39 PHE HE% 1.0 1.5 4.2 1193 1138 A 39 PHE HD% A 39 PHE H 1.0 2.2 5.0 1194 1139 A 39 PHE HD% A 40 TYR HA 1.0 2.3 5.3 1195 1140 A 39 PHE HD% A 40 TYR HB3 1.0 2.9 7.1 1196 1141 A 39 PHE HD% A 40 TYR HB2 1.0 2.9 7.1 1197 1142 A 39 PHE HD% A 40 TYR H 1.0 2.4 5.6 1198 1143 A 39 PHE HD% A 42 GLU HB3 1.0 2.0 6.1 1199 1144 A 39 PHE HD% A 42 GLU HB2 1.0 2.0 6.1 1200 1145 A 39 PHE HD% A 42 GLU HG3 1.0 2.7 6.5 1201 1145 A 39 PHE HD% A 42 GLU HG2 1.0 2.7 6.5 1202 1146 A 39 PHE HD% A 43 CYS H 1.0 2.3 5.3 1203 1147 A 39 PHE HD% A 92 ASP HB3 1.0 2.2 6.0 1204 1148 A 39 PHE HD% A 92 ASP HB2 1.0 2.2 6.0 1205 1149 A 39 PHE HD% A 92 ASP H 1.0 3.3 7.5 1206 1150 A 39 PHE HD% A 93 SER HA 1.0 2.9 6.7 1207 1151 A 39 PHE HD% A 93 SER HA 1.0 3.7 8.5 1208 1152 A 39 PHE HD% A 95 LEU HB3 1.0 2.0 7.0 1209 1153 A 39 PHE HD% A 95 LEU HB2 1.0 2.0 7.0 1210 1154 A 39 PHE HD% A 95 LEU HD1% 1.0 2.7 6.8 1211 1155 A 39 PHE HD% A 95 LEU HD2% 1.0 2.1 5.4 1212 1156 A 39 PHE HD% A 95 LEU HG 1.0 2.5 5.8 1213 1157 A 39 PHE HD% A 95 LEU H 1.0 3.5 8.0 1214 1158 A 39 PHE HD% A 96 LYS HA 1.0 2.4 5.6 1215 1159 A 39 PHE HD% A 96 LYS H 1.0 3.1 7.0 1216 1160 A 39 PHE HD% A 99 ILE HG13 1.0 2.4 9.6 1217 1161 A 39 PHE HD% A 99 ILE HG12 1.0 2.4 9.6 1218 1162 A 39 PHE HD% A 99 ILE HG2% 1.0 2.7 7.0 1219 1163 A 39 PHE HD% A 39 PHE HE% 1.0 1.5 4.4 1220 1164 A 39 PHE HE% A 39 PHE HZ 1.0 1.5 3.5 1221 1165 A 39 PHE HE% A 95 LEU HB3 1.0 2.6 7.0 1222 1166 A 39 PHE HE% A 95 LEU HB2 1.0 2.6 7.0 1223 1167 A 39 PHE HE% A 95 LEU HD2% 1.0 2.0 5.2 1224 1168 A 95 LEU H A 39 PHE HE% 1.0 2.9 6.6 1225 1169 A 39 PHE HE% A 96 LYS H 1.0 2.4 5.4 1226 1170 A 39 PHE H A 39 PHE HA 1.0 2.1 3.6 1227 1171 A 39 PHE HB3 A 39 PHE H 1.0 2.2 3.7 1228 1172 A 39 PHE HB2 A 39 PHE H 1.0 2.0 3.5 1229 1173 A 39 PHE HD% A 39 PHE H 1.0 2.2 5.1 1230 1174 A 39 PHE H A 40 TYR HB3 1.0 2.5 5.0 1231 1175 A 39 PHE H A 40 TYR HB2 1.0 2.5 5.0 1232 1176 A 39 PHE H A 40 TYR H 1.0 2.1 3.6 1233 1177 A 39 PHE H A 41 GLU HBx 1.0 3.9 7.3 1234 1177 A 39 PHE H A 41 GLU HBy 1.0 3.9 7.3 1235 1178 A 39 PHE H A 41 GLU H 1.0 2.8 4.8 1236 1179 A 39 PHE H A 42 GLU H 1.0 3.2 5.5 1237 1180 A 39 PHE HZ A 43 CYS HB3 1.0 2.5 6.1 1238 1181 A 39 PHE HZ A 43 CYS HB2 1.0 2.5 6.1 1239 1182 A 93 SER HA A 39 PHE HZ 1.0 2.4 4.2 1240 1183 A 96 LYS HA A 39 PHE HZ 1.0 2.2 3.8 1241 1184 A 39 PHE HZ A 96 LYS HB3 1.0 2.0 4.5 1242 1185 A 39 PHE HZ A 96 LYS HB2 1.0 2.0 4.5 1243 1186 A 39 PHE HZ A 96 LYS HG3 1.0 1.9 5.0 1244 1187 A 39 PHE HZ A 96 LYS HG2 1.0 1.9 5.0 1245 1188 A 96 LYS H A 39 PHE HZ 1.0 2.5 4.3 1246 1189 A 40 TYR HB3 A 40 TYR HA 1.0 2.0 4.1 1247 1190 A 40 TYR HB2 A 40 TYR HA 1.0 2.0 4.1 1248 1191 A 41 GLU H A 40 TYR HA 1.0 2.4 4.2 1249 1192 A 42 GLU H A 40 TYR HA 1.0 2.9 5.0 1250 1193 A 43 CYS H A 40 TYR HA 1.0 2.5 4.3 1251 1194 A 95 LEU HD1% A 40 TYR HA 1.0 2.9 5.7 1252 1195 A 40 TYR HB3 A 40 TYR HA 1.0 2.2 4.1 1253 1196 A 40 TYR HB3 A 41 GLU H 1.0 2.4 4.2 1254 1197 A 40 TYR HB3 A 42 GLU H 1.0 2.2 7.2 1255 1198 A 40 TYR HB3 A 95 LEU HD2% 1.0 2.9 6.4 1256 1199 A 40 TYR HB2 A 40 TYR HA 1.0 2.2 4.1 1257 1200 A 40 TYR HB3 A 40 TYR HB2 1.0 1.9 3.2 1258 1201 A 40 TYR HB2 A 41 GLU H 1.0 2.4 4.2 1259 1202 A 40 TYR HB2 A 42 GLU H 1.0 2.2 7.2 1260 1203 A 40 TYR HB2 A 95 LEU HD2% 1.0 2.9 6.4 1261 1204 A 40 TYR HD% A 40 TYR HE% 1.0 2.0 5.8 1262 1205 A 40 TYR HD% A 52 PHE HD% 1.0 2.1 6.0 1263 1206 A 40 TYR HD% A 75 PHE HE% 1.0 2.1 6.0 1264 1207 A 40 TYR HD% A 95 LEU HD2% 1.0 2.0 5.2 1265 1208 A 53 ILE H A 40 TYR HE% 1.0 3.1 7.0 1266 1209 A 40 TYR HE% A 95 LEU HD1% 1.0 2.7 7.0 1267 1210 A 40 TYR HE% A 95 LEU HD2% 1.0 2.4 6.1 1268 1211 A 40 TYR HE% A 95 LEU HG 1.0 2.4 5.4 1269 1212 A 40 TYR H A 40 TYR HA 1.0 2.3 4.0 1270 1213 A 40 TYR H A 40 TYR HB3 1.0 2.1 3.8 1271 1214 A 40 TYR H A 40 TYR HB2 1.0 2.1 3.8 1272 1215 A 40 TYR H A 41 GLU H 1.0 2.3 4.0 1273 1216 A 40 TYR H A 42 GLU H 1.0 2.9 4.9 1274 1217 A 75 PHE HE% A 40 TYR H 1.0 3.3 7.5 1275 1218 A 40 TYR H A 92 ASP HA 1.0 3.1 5.3 1276 1219 A 41 GLU HA A 42 GLU H 1.0 2.4 4.2 1277 1220 A 41 GLU HA A 44 SER HB3 1.0 2.4 4.3 1278 1221 A 41 GLU HA A 44 SER HB2 1.0 2.4 4.3 1279 1222 A 41 GLU HA A 44 SER H 1.0 2.4 4.1 1280 1223 A 41 GLU HA A 45 LYS H 1.0 2.9 5.0 1281 1224 A 44 SER HG A 41 GLU HBx 1.0 1.8 4.9 1282 1224 A 44 SER HG A 41 GLU HBy 1.0 1.8 4.9 1283 1225 A 42 GLU H A 41 GLU HGx 1.0 2.2 4.2 1284 1225 A 42 GLU H A 41 GLU HGy 1.0 2.2 4.2 1285 1226 A 44 SER HG A 41 GLU HGx 1.0 1.8 4.8 1286 1226 A 44 SER HG A 41 GLU HGy 1.0 1.8 4.8 1287 1227 A 41 GLU HA A 41 GLU H 1.0 2.2 3.7 1288 1228 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.4 1289 1228 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.4 1290 1229 A 41 GLU H A 41 GLU HGx 1.0 2.2 4.0 1291 1229 A 41 GLU H A 41 GLU HGy 1.0 2.2 4.0 1292 1230 A 41 GLU H A 42 GLU HG3 1.0 2.7 4.9 1293 1230 A 41 GLU H A 42 GLU HG2 1.0 2.7 4.9 1294 1231 A 41 GLU H A 42 GLU H 1.0 2.2 3.8 1295 1232 A 44 SER HG A 41 GLU H 1.0 1.8 6.0 1296 1233 A 41 GLU H A 44 SER H 1.0 3.3 5.6 1297 1234 A 43 CYS H A 42 GLU HA 1.0 2.5 4.3 1298 1235 A 44 SER HG A 42 GLU HA 1.0 1.8 5.4 1299 1236 A 44 SER H A 42 GLU HA 1.0 2.7 4.7 1300 1237 A 45 LYS H A 42 GLU HA 1.0 2.6 4.4 1301 1238 A 42 GLU HA A 46 THR H 1.0 3.1 5.4 1302 1239 A 44 SER HG A 42 GLU HB3 1.0 1.8 7.1 1303 1240 A 42 GLU HB3 A 45 LYS H 1.0 2.4 6.2 1304 1241 A 44 SER HG A 42 GLU HB2 1.0 1.8 7.1 1305 1242 A 42 GLU HB2 A 45 LYS H 1.0 2.4 6.2 1306 1243 A 42 GLU H A 42 GLU HA 1.0 1.8 3.1 1307 1244 A 42 GLU H A 42 GLU HB3 1.0 1.7 4.9 1308 1245 A 42 GLU H A 42 GLU HB2 1.0 1.7 4.9 1309 1246 A 42 GLU H A 42 GLU HG3 1.0 2.0 3.7 1310 1247 A 42 GLU H A 42 GLU HG2 1.0 2.0 3.7 1311 1248 A 42 GLU H A 44 SER H 1.0 2.8 4.8 1312 1249 A 42 GLU H A 45 LYS HEx 1.0 3.3 6.1 1313 1249 A 42 GLU H A 45 LYS HEy 1.0 3.3 6.1 1314 1250 A 43 CYS HB3 A 43 CYS HA 1.0 2.1 3.7 1315 1251 A 43 CYS HB2 A 43 CYS HA 1.0 2.1 3.7 1316 1252 A 44 SER H A 43 CYS HA 1.0 2.4 4.2 1317 1253 A 43 CYS HA A 46 THR HB 1.0 2.1 3.6 1318 1254 A 43 CYS HA A 46 THR HG2% 1.0 2.6 5.2 1319 1255 A 46 THR H A 43 CYS HA 1.0 2.4 4.2 1320 1256 A 43 CYS HA A 47 TYR HD% 1.0 2.0 4.5 1321 1257 A 43 CYS HA A 47 TYR HE% 1.0 2.1 4.8 1322 1258 A 43 CYS HA A 47 TYR H 1.0 2.7 4.7 1323 1259 A 52 PHE HZ A 43 CYS HA 1.0 2.7 4.7 1324 1260 A 99 ILE HG2% A 43 CYS HA 1.0 2.9 5.9 1325 1261 A 43 CYS HB3 A 43 CYS HA 1.0 2.3 4.0 1326 1262 A 43 CYS HB3 A 44 SER H 1.0 2.3 6.5 1327 1263 A 43 CYS HB3 A 47 TYR HD% 1.0 2.2 6.1 1328 1264 A 52 PHE HE% A 43 CYS HB3 1.0 2.2 4.6 1329 1265 A 52 PHE HZ A 43 CYS HB3 1.0 2.4 4.4 1330 1266 A 43 CYS HB3 A 99 ILE HD1% 1.0 3.0 10.3 1331 1267 A 99 ILE HG2% A 43 CYS HB3 1.0 2.6 5.2 1332 1268 A 43 CYS HB2 A 43 CYS HA 1.0 2.3 4.0 1333 1269 A 43 CYS HB2 A 44 SER H 1.0 2.3 6.5 1334 1270 A 43 CYS HB2 A 47 TYR HD% 1.0 2.2 6.1 1335 1271 A 52 PHE HE% A 43 CYS HB2 1.0 2.2 4.6 1336 1272 A 52 PHE HZ A 43 CYS HB2 1.0 2.4 4.4 1337 1273 A 43 CYS HB2 A 99 ILE HD1% 1.0 3.0 10.3 1338 1274 A 99 ILE HG2% A 43 CYS HB2 1.0 2.6 5.2 1339 1275 A 43 CYS H A 43 CYS HA 1.0 2.1 3.6 1340 1276 A 43 CYS H A 43 CYS HB3 1.0 2.2 4.1 1341 1277 A 43 CYS H A 43 CYS HB2 1.0 2.2 4.1 1342 1278 A 43 CYS H A 44 SER H 1.0 2.2 3.8 1343 1279 A 43 CYS H A 45 LYS H 1.0 2.8 4.8 1344 1280 A 43 CYS H A 46 THR HG2% 1.0 4.1 8.1 1345 1281 A 43 CYS H A 47 TYR HE% 1.0 3.5 8.0 1346 1282 A 52 PHE HE% A 43 CYS H 1.0 2.7 6.2 1347 1283 A 43 CYS H A 95 LEU HD2% 1.0 3.7 7.4 1348 1284 A 43 CYS H A 99 ILE HG2% 1.0 3.0 6.0 1349 1285 A 45 LYS H A 44 SER HA 1.0 2.5 4.3 1350 1286 A 47 TYR H A 44 SER HA 1.0 2.6 4.4 1351 1287 A 52 PHE HZ A 44 SER HA 1.0 3.4 5.9 1352 1288 A 44 SER HB3 A 44 SER HB2 1.0 1.8 3.1 1353 1289 A 44 SER HB3 A 44 SER H 1.0 2.2 3.8 1354 1290 A 44 SER HB3 A 45 LYS H 1.0 2.4 4.1 1355 1291 A 44 SER HB3 A 52 PHE HB3 1.0 2.6 6.2 1356 1292 A 44 SER HB3 A 52 PHE HE% 1.0 2.8 6.4 1357 1293 A 44 SER HB2 A 44 SER H 1.0 2.3 4.0 1358 1294 A 44 SER HB2 A 45 LYS H 1.0 2.4 4.1 1359 1295 A 44 SER HB2 A 52 PHE HB3 1.0 2.7 4.7 1360 1296 A 44 SER HB2 A 52 PHE HB2 1.0 2.7 4.7 1361 1297 A 44 SER HB2 A 52 PHE H 1.0 3.1 5.3 1362 1298 A 44 SER HG A 44 SER HA 1.0 1.8 4.0 1363 1299 A 44 SER HB3 A 44 SER HG 1.0 1.8 4.4 1364 1300 A 44 SER HB2 A 44 SER HG 1.0 1.8 4.4 1365 1301 A 44 SER HG A 45 LYS HA 1.0 1.8 4.8 1366 1302 A 44 SER HG A 45 LYS HG3 1.0 1.8 5.3 1367 1303 A 44 SER HG A 45 LYS HG2 1.0 1.8 5.3 1368 1304 A 44 SER HG A 45 LYS H 1.0 1.8 4.4 1369 1305 A 44 SER HG A 46 THR H 1.0 1.8 5.4 1370 1306 A 44 SER HB3 A 44 SER H 1.0 2.2 3.8 1371 1307 A 44 SER HB2 A 44 SER H 1.0 2.3 4.0 1372 1308 A 44 SER HG A 44 SER H 1.0 1.8 4.9 1373 1309 A 44 SER H A 45 LYS H 1.0 2.1 3.6 1374 1310 A 45 LYS HA A 45 LYS HB3 1.0 2.0 3.4 1375 1311 A 45 LYS HA A 45 LYS HB2 1.0 1.8 3.1 1376 1312 A 45 LYS HA A 45 LYS HEx 1.0 3.4 6.2 1377 1312 A 45 LYS HEy A 45 LYS HA 1.0 3.4 6.2 1378 1313 A 45 LYS HA A 45 LYS HG3 1.0 2.0 5.3 1379 1314 A 45 LYS HA A 45 LYS HG2 1.0 2.0 5.3 1380 1315 A 46 THR H A 45 LYS HA 1.0 2.4 4.2 1381 1316 A 46 THR H A 45 LYS HG3 1.0 2.9 6.0 1382 1317 A 46 THR H A 45 LYS HG2 1.0 2.9 6.0 1383 1318 A 45 LYS H A 45 LYS HA 1.0 2.0 3.5 1384 1319 A 45 LYS H A 45 LYS HB3 1.0 1.9 3.2 1385 1320 A 45 LYS H A 45 LYS HDx 1.0 3.0 5.6 1386 1320 A 45 LYS H A 45 LYS HDy 1.0 3.0 5.6 1387 1321 A 45 LYS H A 45 LYS HG3 1.0 2.2 4.0 1388 1322 A 45 LYS H A 45 LYS HG2 1.0 2.2 4.0 1389 1323 A 45 LYS H A 46 THR H 1.0 2.0 3.5 1390 1324 A 45 LYS H A 47 TYR H 1.0 2.7 4.7 1391 1325 A 46 THR HB A 46 THR HA 1.0 2.1 3.6 1392 1326 A 46 THR HG2% A 46 THR HA 1.0 2.0 3.9 1393 1327 A 46 THR HA A 48 THR HG2% 1.0 2.3 4.6 1394 1328 A 46 THR HA A 48 THR H 1.0 2.9 4.9 1395 1329 A 46 THR HB A 47 TYR H 1.0 2.2 3.8 1396 1330 A 46 THR HB A 46 THR HG2% 1.0 2.0 4.1 1397 1331 A 46 THR HG2% A 47 TYR HA 1.0 3.1 6.2 1398 1332 A 46 THR HG2% A 47 TYR HB3 1.0 3.4 7.1 1399 1333 A 46 THR HG2% A 47 TYR HB2 1.0 3.4 7.1 1400 1334 A 46 THR HG2% A 47 TYR HD% 1.0 2.4 6.1 1401 1335 A 46 THR HG2% A 47 TYR HE% 1.0 2.2 5.8 1402 1336 A 46 THR HG2% A 47 TYR H 1.0 2.6 5.2 1403 1337 A 46 THR HG2% A 48 THR H 1.0 3.1 6.2 1404 1338 A 52 PHE HZ A 46 THR HG2% 1.0 3.8 7.7 1405 1339 A 46 THR HG2% A 96 LYS HEx 1.0 3.5 7.5 1406 1339 A 46 THR HG2% A 96 LYS HEy 1.0 3.5 7.5 1407 1340 A 46 THR HG2% A 99 ILE HD1% 1.0 3.3 7.5 1408 1341 A 46 THR HG2% A 100 GLU HG3 1.0 3.8 8.7 1409 1342 A 46 THR HG2% A 100 GLU HG2 1.0 3.8 8.7 1410 1343 A 46 THR H A 46 THR HA 1.0 2.0 3.4 1411 1344 A 46 THR H A 46 THR HB 1.0 2.0 3.5 1412 1345 A 46 THR H A 46 THR HG2% 1.0 2.5 5.0 1413 1346 A 46 THR H A 47 TYR HA 1.0 2.8 4.8 1414 1347 A 46 THR H A 47 TYR HE% 1.0 2.9 6.6 1415 1348 A 46 THR H A 47 TYR H 1.0 2.0 3.4 1416 1349 A 48 THR HG2% A 47 TYR HA 1.0 2.9 5.7 1417 1350 A 48 THR H A 47 TYR HA 1.0 2.0 3.5 1418 1351 A 47 TYR HA A 49 LYS H 1.0 2.5 4.3 1419 1352 A 47 TYR HA A 50 MET H 1.0 3.2 5.5 1420 1353 A 99 ILE HD1% A 47 TYR HA 1.0 3.6 7.3 1421 1354 A 47 TYR HA A 103 ALA HB% 1.0 2.9 5.9 1422 1355 A 47 TYR HA A 47 TYR HB3 1.0 2.2 4.2 1423 1356 A 52 PHE HE% A 47 TYR HB3 1.0 2.2 6.7 1424 1357 A 52 PHE HZ A 47 TYR HB3 1.0 2.2 4.0 1425 1358 A 99 ILE HD1% A 47 TYR HB3 1.0 2.5 5.3 1426 1359 A 47 TYR HB3 A 103 ALA HB% 1.0 2.4 5.3 1427 1360 A 47 TYR HB3 A 104 ALA H 1.0 3.7 8.2 1428 1361 A 47 TYR HA A 47 TYR HB2 1.0 2.2 4.2 1429 1362 A 52 PHE HE% A 47 TYR HB2 1.0 2.2 6.7 1430 1363 A 52 PHE HZ A 47 TYR HB2 1.0 2.2 4.0 1431 1364 A 99 ILE HD1% A 47 TYR HB2 1.0 2.5 5.3 1432 1365 A 47 TYR HB2 A 103 ALA HB% 1.0 2.4 5.3 1433 1366 A 47 TYR HB2 A 104 ALA H 1.0 3.7 8.2 1434 1367 A 47 TYR HD% A 47 TYR HA 1.0 2.1 4.8 1435 1368 A 47 TYR HD% A 47 TYR HB3 1.0 1.7 5.3 1436 1369 A 47 TYR HD% A 47 TYR HB2 1.0 1.7 5.3 1437 1370 A 47 TYR HD% A 47 TYR HE% 1.0 1.6 4.6 1438 1371 A 47 TYR HD% A 47 TYR H 1.0 2.0 4.6 1439 1372 A 47 TYR HD% A 49 LYS HDx 1.0 3.0 7.3 1440 1372 A 47 TYR HD% A 49 LYS HDy 1.0 3.0 7.3 1441 1373 A 47 TYR HD% A 49 LYS H 1.0 2.7 6.2 1442 1374 A 52 PHE HZ A 47 TYR HD% 1.0 2.0 4.6 1443 1375 A 99 ILE HG13 A 47 TYR HD% 1.0 2.4 6.0 1444 1376 A 99 ILE HG12 A 47 TYR HD% 1.0 2.4 6.0 1445 1377 A 99 ILE HG2% A 47 TYR HD% 1.0 2.2 5.8 1446 1378 A 99 ILE HG2% A 47 TYR HD% 1.0 2.2 5.8 1447 1379 A 47 TYR HD% A 100 GLU HG3 1.0 2.5 6.1 1448 1380 A 47 TYR HD% A 100 GLU HG2 1.0 2.5 6.1 1449 1381 A 47 TYR HD% A 103 ALA HB% 1.0 2.2 5.6 1450 1382 A 47 TYR HD% A 103 ALA H 1.0 3.0 6.9 1451 1383 A 47 TYR HD% A 104 ALA HA 1.0 2.3 5.3 1452 1384 A 47 TYR HD% A 104 ALA H 1.0 2.7 6.2 1453 1385 A 47 TYR HE% A 47 TYR HA 1.0 2.9 6.6 1454 1386 A 47 TYR HE% A 47 TYR HB3 1.0 2.5 5.3 1455 1387 A 47 TYR HE% A 47 TYR HB2 1.0 2.5 5.3 1456 1388 A 95 LEU HD2% A 47 TYR HE% 1.0 2.0 5.2 1457 1389 A 96 LYS HA A 47 TYR HE% 1.0 3.1 7.0 1458 1390 A 47 TYR HE% A 96 LYS HEx 1.0 2.5 6.1 1459 1390 A 47 TYR HE% A 96 LYS HEy 1.0 2.5 6.1 1460 1391 A 47 TYR HE% A 99 ILE HD1% 1.0 2.3 5.9 1461 1392 A 99 ILE HG2% A 47 TYR HE% 1.0 2.5 6.5 1462 1393 A 47 TYR HE% A 100 GLU HA 1.0 2.0 4.6 1463 1394 A 47 TYR HE% A 100 GLU HBx 1.0 3.0 7.3 1464 1394 A 47 TYR HE% A 100 GLU HBy 1.0 3.0 7.3 1465 1395 A 47 TYR HE% A 100 GLU HG3 1.0 2.0 4.5 1466 1396 A 47 TYR HE% A 100 GLU HG2 1.0 2.0 4.5 1467 1397 A 47 TYR HE% A 100 GLU H 1.0 2.9 6.6 1468 1398 A 47 TYR HE% A 104 ALA HA 1.0 2.3 5.3 1469 1399 A 47 TYR HE% A 104 ALA HB% 1.0 2.1 5.4 1470 1400 A 47 TYR HE% A 104 ALA H 1.0 3.1 7.0 1471 1401 A 47 TYR H A 47 TYR HA 1.0 2.4 4.2 1472 1402 A 47 TYR H A 47 TYR HB3 1.0 2.2 4.6 1473 1403 A 47 TYR H A 47 TYR HB2 1.0 2.2 4.6 1474 1404 A 47 TYR HD% A 47 TYR H 1.0 2.0 4.6 1475 1405 A 47 TYR HE% A 47 TYR H 1.0 2.7 6.1 1476 1406 A 47 TYR H A 48 THR H 1.0 2.4 4.2 1477 1407 A 47 TYR H A 99 ILE HD1% 1.0 3.3 6.6 1478 1408 A 49 LYS H A 48 THR HA 1.0 2.5 4.3 1479 1409 A 49 LYS H A 48 THR HB 1.0 2.6 4.4 1480 1410 A 48 THR HG2% A 49 LYS H 1.0 2.7 5.3 1481 1411 A 48 THR H A 48 THR HA 1.0 1.6 2.8 1482 1412 A 48 THR H A 48 THR HB 1.0 2.3 4.0 1483 1413 A 48 THR HG2% A 48 THR H 1.0 2.2 4.3 1484 1414 A 48 THR H A 49 LYS HDx 1.0 2.5 4.7 1485 1414 A 48 THR H A 49 LYS HDy 1.0 2.5 4.7 1486 1415 A 48 THR H A 49 LYS H 1.0 2.3 4.0 1487 1416 A 48 THR H A 103 ALA HB% 1.0 3.4 6.7 1488 1417 A 50 MET H A 49 LYS HA 1.0 2.3 4.0 1489 1418 A 49 LYS H A 49 LYS HA 1.0 2.0 3.5 1490 1419 A 49 LYS H A 49 LYS HB3 1.0 2.0 3.5 1491 1420 A 49 LYS H A 49 LYS HB2 1.0 2.0 3.5 1492 1421 A 49 LYS H A 49 LYS HDx 1.0 2.5 4.7 1493 1421 A 49 LYS H A 49 LYS HDy 1.0 2.5 4.7 1494 1422 A 49 LYS H A 49 LYS HG3 1.0 2.0 3.6 1495 1423 A 49 LYS H A 49 LYS HG2 1.0 2.0 3.6 1496 1424 A 49 LYS H A 50 MET HB2 1.0 2.9 4.9 1497 1425 A 49 LYS H A 50 MET H 1.0 2.0 3.5 1498 1426 A 51 VAL HG1% A 50 MET HA 1.0 2.9 5.7 1499 1427 A 51 VAL H A 50 MET HA 1.0 1.9 3.2 1500 1428 A 50 MET HA A 52 PHE HE% 1.0 2.9 6.6 1501 1429 A 51 VAL H A 50 MET HB3 1.0 2.5 4.3 1502 1430 A 52 PHE HE% A 50 MET HB2 1.0 2.1 4.8 1503 1431 A 51 VAL H A 50 MET HG3 1.0 2.2 5.5 1504 1432 A 50 MET HG3 A 52 PHE HZ 1.0 2.7 5.9 1505 1433 A 50 MET HG3 A 103 ALA H 1.0 2.5 6.1 1506 1434 A 51 VAL H A 50 MET HG2 1.0 2.2 5.5 1507 1435 A 50 MET HG2 A 52 PHE HZ 1.0 2.7 5.9 1508 1436 A 78 TYR H A 50 MET HG2 1.0 3.3 7.4 1509 1437 A 50 MET HG2 A 103 ALA H 1.0 2.5 6.1 1510 1438 A 50 MET HA A 50 MET H 1.0 2.2 3.7 1511 1439 A 50 MET HB3 A 50 MET H 1.0 2.0 3.5 1512 1440 A 50 MET H A 50 MET HB2 1.0 1.7 2.9 1513 1441 A 50 MET HG3 A 50 MET H 1.0 2.4 6.0 1514 1442 A 50 MET HG2 A 50 MET H 1.0 2.4 6.0 1515 1443 A 51 VAL HG2% A 50 MET H 1.0 3.3 6.6 1516 1444 A 51 VAL H A 50 MET H 1.0 2.9 4.9 1517 1445 A 51 VAL HA A 52 PHE HA 1.0 2.7 4.7 1518 1446 A 51 VAL HA A 52 PHE H 1.0 1.8 3.1 1519 1447 A 51 VAL HB A 52 PHE H 1.0 2.7 4.6 1520 1448 A 51 VAL HG1% A 51 VAL HA 1.0 2.1 4.2 1521 1449 A 52 PHE HD% A 51 VAL HG1% 1.0 2.7 6.8 1522 1450 A 51 VAL HG1% A 52 PHE H 1.0 2.3 4.6 1523 1451 A 51 VAL HG2% A 51 VAL HA 1.0 2.1 4.2 1524 1452 A 51 VAL HG2% A 52 PHE HA 1.0 2.9 5.9 1525 1453 A 52 PHE HD% A 51 VAL HG2% 1.0 3.3 8.5 1526 1454 A 51 VAL HG2% A 52 PHE H 1.0 2.6 5.2 1527 1455 A 51 VAL H A 51 VAL HA 1.0 2.2 3.8 1528 1456 A 51 VAL HB A 51 VAL H 1.0 2.2 3.7 1529 1457 A 51 VAL HG1% A 51 VAL H 1.0 2.5 5.0 1530 1458 A 51 VAL HG2% A 51 VAL H 1.0 2.2 4.5 1531 1459 A 51 VAL H A 52 PHE HA 1.0 3.5 6.0 1532 1460 A 52 PHE HD% A 51 VAL H 1.0 3.4 7.8 1533 1461 A 51 VAL H A 52 PHE H 1.0 2.9 5.0 1534 1462 A 52 PHE HA A 52 PHE HB3 1.0 2.3 4.0 1535 1463 A 52 PHE HA A 52 PHE HB2 1.0 2.3 4.0 1536 1464 A 52 PHE HA A 52 PHE HE% 1.0 3.1 7.2 1537 1465 A 52 PHE HA A 52 PHE HZ 1.0 3.5 6.0 1538 1466 A 53 ILE HA A 52 PHE HA 1.0 2.8 4.8 1539 1467 A 53 ILE HG13 A 52 PHE HA 1.0 3.1 5.3 1540 1468 A 53 ILE HG12 A 52 PHE HA 1.0 2.9 4.9 1541 1469 A 53 ILE HG2% A 52 PHE HA 1.0 3.1 6.2 1542 1470 A 53 ILE H A 52 PHE HA 1.0 1.9 3.2 1543 1471 A 53 ILE H A 52 PHE HB3 1.0 2.5 4.8 1544 1472 A 53 ILE H A 52 PHE HB2 1.0 2.5 4.8 1545 1473 A 52 PHE HD% A 52 PHE H 1.0 2.2 5.0 1546 1474 A 52 PHE HD% A 52 PHE HZ 1.0 2.2 5.1 1547 1475 A 52 PHE HE% A 52 PHE HB3 1.0 2.3 5.3 1548 1476 A 52 PHE HE% A 52 PHE HB2 1.0 2.3 5.3 1549 1477 A 52 PHE HD% A 52 PHE HE% 1.0 2.0 5.8 1550 1478 A 52 PHE HE% A 52 PHE HZ 1.0 1.8 4.2 1551 1479 A 52 PHE HE% A 99 ILE HA 1.0 3.2 7.4 1552 1480 A 52 PHE HE% A 99 ILE HG2% 1.0 2.1 5.4 1553 1481 A 52 PHE H A 52 PHE HA 1.0 2.4 4.1 1554 1482 A 52 PHE H A 52 PHE HB3 1.0 2.2 4.1 1555 1483 A 52 PHE H A 52 PHE HB2 1.0 2.2 4.1 1556 1484 A 52 PHE H A 52 PHE HE% 1.0 2.7 6.2 1557 1485 A 53 ILE H A 52 PHE H 1.0 2.8 4.8 1558 1486 A 52 PHE HZ A 99 ILE HA 1.0 2.9 5.0 1559 1487 A 52 PHE HZ A 99 ILE HG13 1.0 2.5 4.8 1560 1488 A 52 PHE HZ A 99 ILE HG12 1.0 2.5 4.8 1561 1489 A 52 PHE HZ A 99 ILE HG2% 1.0 2.3 4.6 1562 1490 A 52 PHE HZ A 103 ALA HB% 1.0 2.8 5.6 1563 1491 A 53 ILE HA A 53 ILE HB 1.0 2.1 3.6 1564 1492 A 53 ILE HA A 53 ILE HD1% 1.0 2.6 5.2 1565 1493 A 53 ILE HA A 53 ILE HG13 1.0 2.7 4.6 1566 1494 A 53 ILE HA A 53 ILE HG12 1.0 2.6 4.4 1567 1495 A 53 ILE HA A 53 ILE HG2% 1.0 2.1 4.2 1568 1496 A 53 ILE HA A 54 LYS HA 1.0 3.0 5.2 1569 1497 A 53 ILE HA A 54 LYS HG3 1.0 3.1 5.9 1570 1497 A 53 ILE HA A 54 LYS HG2 1.0 3.1 5.9 1571 1498 A 53 ILE HA A 54 LYS H 1.0 2.0 3.4 1572 1499 A 54 LYS HA A 53 ILE HB 1.0 3.8 6.6 1573 1500 A 54 LYS HA A 53 ILE HG12 1.0 3.7 6.4 1574 1501 A 54 LYS HA A 53 ILE HG2% 1.0 3.4 6.7 1575 1502 A 53 ILE HA A 53 ILE H 1.0 2.3 4.0 1576 1503 A 54 LYS HA A 54 LYS HB3 1.0 2.2 4.1 1577 1504 A 54 LYS HA A 54 LYS HB2 1.0 2.2 4.1 1578 1505 A 54 LYS HA A 54 LYS HG3 1.0 2.7 4.8 1579 1506 A 54 LYS HA A 54 LYS HG2 1.0 2.7 4.8 1580 1507 A 54 LYS HA A 55 VAL HA 1.0 3.0 5.2 1581 1508 A 54 LYS HA A 55 VAL HB 1.0 2.7 4.6 1582 1509 A 54 LYS HA A 55 VAL HGx% 1.0 3.5 7.0 1583 1510 A 54 LYS HA A 55 VAL HGy% 1.0 3.2 6.4 1584 1511 A 54 LYS HA A 55 VAL H 1.0 2.0 3.4 1585 1512 A 54 LYS HA A 56 ASP H 1.0 3.4 5.9 1586 1513 A 54 LYS HA A 75 PHE HE% 1.0 3.2 7.4 1587 1514 A 55 VAL H A 54 LYS HB3 1.0 2.1 5.4 1588 1515 A 55 VAL H A 54 LYS HB2 1.0 2.1 5.4 1589 1516 A 54 LYS H A 54 LYS HA 1.0 2.4 4.2 1590 1517 A 54 LYS H A 54 LYS HB3 1.0 2.6 4.4 1591 1518 A 54 LYS H A 54 LYS HB2 1.0 2.6 4.4 1592 1519 A 54 LYS H A 54 LYS HG3 1.0 2.4 4.6 1593 1519 A 54 LYS H A 54 LYS HG2 1.0 2.4 4.6 1594 1520 A 54 LYS H A 55 VAL H 1.0 2.9 4.9 1595 1521 A 55 VAL HA A 56 ASP H 1.0 1.9 3.2 1596 1522 A 55 VAL HB A 56 ASP H 1.0 2.7 4.7 1597 1523 A 55 VAL HB A 63 VAL HG1% 1.0 3.2 6.4 1598 1524 A 56 ASP H A 55 VAL HGx% 1.0 2.5 5.0 1599 1525 A 55 VAL HGx% A 57 VAL H 1.0 3.6 7.3 1600 1526 A 56 ASP H A 55 VAL HGy% 1.0 2.7 5.3 1601 1527 A 55 VAL HA A 55 VAL H 1.0 2.6 4.4 1602 1528 A 55 VAL HB A 55 VAL H 1.0 2.1 3.6 1603 1529 A 55 VAL H A 55 VAL HGx% 1.0 2.7 5.5 1604 1530 A 55 VAL H A 55 VAL HGy% 1.0 2.4 4.9 1605 1531 A 55 VAL H A 56 ASP H 1.0 2.9 5.0 1606 1532 A 56 ASP HA A 57 VAL H 1.0 2.0 3.5 1607 1533 A 56 ASP HA A 58 ASP H 1.0 2.5 4.3 1608 1534 A 56 ASP HB3 A 57 VAL H 1.0 2.5 4.4 1609 1535 A 56 ASP HB3 A 58 ASP H 1.0 2.0 6.5 1610 1536 A 56 ASP HB2 A 57 VAL H 1.0 2.5 4.4 1611 1537 A 56 ASP HB2 A 58 ASP H 1.0 2.0 6.5 1612 1538 A 56 ASP H A 56 ASP HA 1.0 2.5 4.3 1613 1539 A 56 ASP H A 56 ASP HB3 1.0 2.2 4.0 1614 1540 A 56 ASP H A 56 ASP HB2 1.0 2.2 4.0 1615 1541 A 56 ASP H A 57 VAL H 1.0 2.9 5.0 1616 1542 A 56 ASP H A 60 VAL HG1% 1.0 3.3 9.1 1617 1543 A 56 ASP H A 60 VAL HG2% 1.0 3.3 9.1 1618 1544 A 56 ASP H A 60 VAL H 1.0 3.4 5.8 1619 1545 A 57 VAL HA A 58 ASP H 1.0 2.5 4.3 1620 1546 A 58 ASP H A 57 VAL HB 1.0 2.6 4.4 1621 1547 A 57 VAL HG1% A 58 ASP H 1.0 2.4 7.4 1622 1548 A 57 VAL HG1% A 62 GLU H 1.0 3.4 9.2 1623 1549 A 69 ILE HD1% A 57 VAL HG1% 1.0 3.7 9.6 1624 1550 A 57 VAL HG2% A 58 ASP H 1.0 2.4 7.4 1625 1551 A 57 VAL HG2% A 62 GLU H 1.0 3.4 9.2 1626 1552 A 69 ILE HD1% A 57 VAL HG2% 1.0 3.7 9.6 1627 1553 A 57 VAL HA A 57 VAL H 1.0 2.3 4.0 1628 1554 A 57 VAL H A 57 VAL HB 1.0 2.4 4.2 1629 1555 A 57 VAL H A 57 VAL HG1% 1.0 2.1 4.5 1630 1556 A 57 VAL H A 57 VAL HG2% 1.0 2.1 4.5 1631 1557 A 57 VAL H A 58 ASP HA 1.0 2.9 4.9 1632 1558 A 57 VAL H A 58 ASP HB3 1.0 2.5 7.3 1633 1559 A 57 VAL H A 58 ASP HB2 1.0 2.5 7.3 1634 1560 A 57 VAL H A 59 GLU H 1.0 2.6 4.4 1635 1561 A 58 ASP HA A 59 GLU H 1.0 2.3 4.0 1636 1562 A 58 ASP HA A 61 SER H 1.0 3.3 5.6 1637 1563 A 60 VAL H A 58 ASP HB3 1.0 2.9 5.9 1638 1564 A 60 VAL H A 58 ASP HB2 1.0 2.9 5.9 1639 1565 A 58 ASP H A 58 ASP HA 1.0 2.0 3.5 1640 1566 A 58 ASP H A 58 ASP HB3 1.0 2.0 3.7 1641 1567 A 58 ASP H A 58 ASP HB2 1.0 2.0 3.7 1642 1568 A 58 ASP H A 59 GLU HB3 1.0 2.6 6.4 1643 1569 A 58 ASP H A 59 GLU HB2 1.0 2.6 6.4 1644 1570 A 58 ASP H A 59 GLU H 1.0 2.0 3.4 1645 1571 A 58 ASP H A 60 VAL H 1.0 2.4 4.1 1646 1572 A 59 GLU HB3 A 59 GLU HA 1.0 1.7 5.0 1647 1573 A 59 GLU HB2 A 59 GLU HA 1.0 1.7 5.0 1648 1574 A 59 GLU HA A 59 GLU HG3 1.0 1.7 5.2 1649 1575 A 59 GLU HA A 59 GLU HG2 1.0 1.7 5.2 1650 1576 A 60 VAL H A 59 GLU HA 1.0 2.2 3.8 1651 1577 A 59 GLU H A 59 GLU HA 1.0 2.1 3.6 1652 1578 A 60 VAL HA A 61 SER HBx 1.0 2.5 4.7 1653 1578 A 60 VAL HA A 61 SER HBy 1.0 2.5 4.7 1654 1579 A 61 SER H A 60 VAL HA 1.0 1.8 3.1 1655 1580 A 62 GLU H A 60 VAL HA 1.0 2.4 4.1 1656 1581 A 60 VAL HA A 63 VAL H 1.0 2.7 4.7 1657 1582 A 63 VAL H A 60 VAL HB 1.0 2.3 4.0 1658 1583 A 60 VAL HG1% A 61 SER H 1.0 2.5 6.2 1659 1584 A 60 VAL HG1% A 62 GLU H 1.0 2.7 6.7 1660 1585 A 60 VAL HG1% A 63 VAL H 1.0 2.6 7.7 1661 1586 A 60 VAL HG2% A 61 SER H 1.0 2.5 6.2 1662 1587 A 60 VAL HG2% A 62 GLU H 1.0 2.7 6.7 1663 1588 A 60 VAL HG2% A 63 VAL H 1.0 2.6 7.7 1664 1589 A 60 VAL H A 60 VAL HA 1.0 2.1 3.6 1665 1590 A 60 VAL H A 61 SER HBx 1.0 3.5 6.5 1666 1590 A 60 VAL H A 61 SER HBy 1.0 3.5 6.5 1667 1591 A 60 VAL H A 61 SER H 1.0 2.1 3.6 1668 1592 A 60 VAL H A 62 GLU H 1.0 3.9 6.7 1669 1593 A 63 VAL HG2% A 60 VAL H 1.0 2.6 5.2 1670 1594 A 62 GLU H A 61 SER HA 1.0 2.5 4.3 1671 1595 A 61 SER HA A 64 THR H 1.0 2.3 4.0 1672 1596 A 61 SER HA A 65 GLU H 1.0 2.7 4.6 1673 1597 A 62 GLU H A 61 SER HBx 1.0 2.5 4.7 1674 1597 A 62 GLU H A 61 SER HBy 1.0 2.5 4.7 1675 1598 A 61 SER H A 61 SER HA 1.0 2.1 3.6 1676 1599 A 61 SER H A 61 SER HBx 1.0 2.0 3.8 1677 1599 A 61 SER H A 61 SER HBy 1.0 2.0 3.8 1678 1600 A 61 SER H A 62 GLU HG3 1.0 2.2 7.7 1679 1601 A 61 SER H A 62 GLU HG2 1.0 2.2 7.7 1680 1602 A 62 GLU H A 61 SER H 1.0 2.3 4.0 1681 1603 A 63 VAL H A 62 GLU HA 1.0 2.4 4.2 1682 1604 A 64 THR H A 62 GLU HA 1.0 2.9 5.0 1683 1605 A 65 GLU H A 62 GLU HA 1.0 2.5 4.3 1684 1606 A 62 GLU HA A 66 LYS H 1.0 2.8 4.8 1685 1607 A 63 VAL H A 62 GLU HB3 1.0 1.8 3.8 1686 1608 A 63 VAL H A 62 GLU HB2 1.0 1.8 3.8 1687 1609 A 63 VAL H A 62 GLU HG3 1.0 2.6 5.2 1688 1610 A 63 VAL H A 62 GLU HG2 1.0 2.6 5.2 1689 1611 A 62 GLU H A 62 GLU HA 1.0 2.0 3.4 1690 1612 A 62 GLU H A 62 GLU HB3 1.0 2.1 3.8 1691 1613 A 62 GLU H A 62 GLU HB2 1.0 2.1 3.8 1692 1614 A 62 GLU H A 62 GLU HG3 1.0 2.2 3.7 1693 1615 A 62 GLU H A 62 GLU HG2 1.0 2.2 3.7 1694 1616 A 63 VAL HG2% A 62 GLU H 1.0 3.1 6.3 1695 1617 A 62 GLU H A 63 VAL H 1.0 2.3 4.0 1696 1618 A 62 GLU H A 64 THR H 1.0 3.0 5.2 1697 1619 A 63 VAL HA A 64 THR H 1.0 2.3 4.0 1698 1620 A 63 VAL HA A 65 GLU H 1.0 2.6 4.4 1699 1621 A 63 VAL HA A 66 LYS H 1.0 2.4 4.1 1700 1622 A 63 VAL HA A 67 GLU H 1.0 2.7 4.7 1701 1623 A 64 THR H A 63 VAL HB 1.0 2.0 3.4 1702 1624 A 63 VAL HG1% A 63 VAL HA 1.0 2.2 4.3 1703 1625 A 63 VAL HG1% A 63 VAL HB 1.0 2.2 4.3 1704 1626 A 63 VAL HG1% A 63 VAL HG2% 1.0 2.0 4.6 1705 1627 A 63 VAL HG1% A 64 THR HA 1.0 2.7 5.5 1706 1628 A 63 VAL HG1% A 64 THR H 1.0 2.5 5.0 1707 1629 A 63 VAL HG1% A 65 GLU H 1.0 3.2 6.4 1708 1630 A 63 VAL HG1% A 66 LYS HEx 1.0 3.4 7.4 1709 1630 A 63 VAL HG1% A 66 LYS HEy 1.0 3.4 7.4 1710 1631 A 63 VAL HG1% A 66 LYS HGx 1.0 3.7 8.0 1711 1631 A 63 VAL HG1% A 66 LYS HGy 1.0 3.7 8.0 1712 1632 A 63 VAL HG1% A 67 GLU HB3 1.0 2.2 7.1 1713 1633 A 63 VAL HG1% A 67 GLU HB2 1.0 2.2 7.1 1714 1634 A 63 VAL HG1% A 67 GLU HGx 1.0 2.3 5.0 1715 1634 A 63 VAL HG1% A 67 GLU HGy 1.0 2.3 5.0 1716 1635 A 63 VAL HG1% A 67 GLU H 1.0 3.0 6.0 1717 1636 A 63 VAL HG1% A 78 TYR HE% 1.0 4.1 10.4 1718 1637 A 63 VAL HG2% A 63 VAL HA 1.0 2.0 4.1 1719 1638 A 63 VAL HG2% A 63 VAL HB 1.0 2.0 4.1 1720 1639 A 63 VAL HG2% A 64 THR HA 1.0 3.7 7.4 1721 1640 A 63 VAL HG2% A 64 THR H 1.0 2.4 4.8 1722 1641 A 63 VAL HG2% A 65 GLU H 1.0 4.0 8.0 1723 1642 A 63 VAL HG2% A 66 LYS HEx 1.0 3.4 7.2 1724 1642 A 63 VAL HG2% A 66 LYS HEy 1.0 3.4 7.2 1725 1643 A 63 VAL HG2% A 67 GLU H 1.0 3.9 7.8 1726 1644 A 63 VAL HA A 63 VAL H 1.0 2.1 3.6 1727 1645 A 63 VAL H A 63 VAL HB 1.0 2.0 3.4 1728 1646 A 63 VAL HG1% A 63 VAL H 1.0 2.7 5.3 1729 1647 A 63 VAL HG2% A 63 VAL H 1.0 2.2 4.3 1730 1648 A 63 VAL H A 64 THR HB 1.0 2.7 4.6 1731 1649 A 63 VAL H A 64 THR H 1.0 2.1 3.6 1732 1650 A 64 THR HA A 64 THR HB 1.0 2.2 3.7 1733 1651 A 64 THR HA A 64 THR HG2% 1.0 2.1 4.2 1734 1652 A 64 THR HA A 65 GLU H 1.0 3.0 5.2 1735 1653 A 64 THR HA A 66 LYS H 1.0 2.9 5.0 1736 1654 A 64 THR HA A 67 GLU HB3 1.0 3.1 7.6 1737 1655 A 64 THR HA A 67 GLU HB2 1.0 3.1 7.6 1738 1656 A 67 GLU H A 64 THR HA 1.0 2.9 4.9 1739 1657 A 64 THR HA A 68 ASN H 1.0 3.4 5.8 1740 1658 A 64 THR HA A 69 ILE HB 1.0 2.5 4.3 1741 1659 A 69 ILE HD1% A 64 THR HA 1.0 2.8 5.6 1742 1660 A 64 THR HA A 69 ILE HG2% 1.0 3.1 6.3 1743 1661 A 64 THR HA A 69 ILE H 1.0 2.5 4.3 1744 1662 A 65 GLU H A 64 THR HB 1.0 2.3 4.0 1745 1663 A 65 GLU H A 64 THR HG2% 1.0 2.5 5.0 1746 1664 A 69 ILE HD1% A 64 THR HG2% 1.0 2.5 5.8 1747 1665 A 69 ILE HG2% A 64 THR HG2% 1.0 2.2 5.1 1748 1666 A 64 THR HG2% A 69 ILE H 1.0 2.7 5.5 1749 1667 A 64 THR HA A 64 THR H 1.0 2.2 3.8 1750 1668 A 64 THR H A 64 THR HB 1.0 2.2 3.7 1751 1669 A 64 THR H A 64 THR HG2% 1.0 2.7 5.3 1752 1670 A 64 THR H A 65 GLU H 1.0 2.0 3.4 1753 1671 A 66 LYS H A 65 GLU HA 1.0 2.8 4.8 1754 1672 A 68 ASN H A 65 GLU HA 1.0 2.2 3.8 1755 1673 A 67 GLU H A 65 GLU HG3 1.0 2.7 6.4 1756 1674 A 67 GLU H A 65 GLU HG2 1.0 2.7 6.4 1757 1675 A 65 GLU H A 65 GLU HA 1.0 1.8 3.1 1758 1676 A 65 GLU H A 65 GLU HBx 1.0 1.7 3.1 1759 1676 A 65 GLU H A 65 GLU HBy 1.0 1.7 3.1 1760 1677 A 65 GLU H A 65 GLU HG3 1.0 2.1 5.4 1761 1678 A 65 GLU H A 65 GLU HG2 1.0 2.1 5.4 1762 1679 A 65 GLU H A 66 LYS H 1.0 2.0 3.5 1763 1680 A 67 GLU H A 65 GLU H 1.0 2.9 4.9 1764 1681 A 67 GLU H A 66 LYS HA 1.0 2.4 4.2 1765 1682 A 68 ASN H A 66 LYS HA 1.0 2.5 4.3 1766 1683 A 67 GLU H A 66 LYS HB3 1.0 2.0 4.0 1767 1684 A 67 GLU H A 66 LYS HB2 1.0 2.0 4.0 1768 1685 A 67 GLU H A 66 LYS HGx 1.0 2.4 4.6 1769 1685 A 66 LYS HGy A 67 GLU H 1.0 2.4 4.6 1770 1686 A 66 LYS H A 66 LYS HA 1.0 2.1 3.6 1771 1687 A 66 LYS H A 66 LYS HDx 1.0 2.8 5.2 1772 1687 A 66 LYS H A 66 LYS HDy 1.0 2.8 5.2 1773 1688 A 66 LYS H A 66 LYS HEx 1.0 3.5 6.5 1774 1688 A 66 LYS HEy A 66 LYS H 1.0 3.5 6.5 1775 1689 A 66 LYS H A 66 LYS HGx 1.0 2.3 4.3 1776 1689 A 66 LYS HGy A 66 LYS H 1.0 2.3 4.3 1777 1690 A 67 GLU H A 66 LYS H 1.0 2.2 3.7 1778 1691 A 69 ILE HD1% A 67 GLU HB3 1.0 2.4 5.5 1779 1692 A 67 GLU HB3 A 69 ILE H 1.0 3.6 7.9 1780 1693 A 69 ILE HD1% A 67 GLU HB2 1.0 2.4 5.5 1781 1694 A 67 GLU HB2 A 69 ILE H 1.0 3.6 7.9 1782 1695 A 68 ASN H A 67 GLU HGx 1.0 2.9 5.3 1783 1695 A 67 GLU HGy A 68 ASN H 1.0 2.9 5.3 1784 1696 A 69 ILE HD1% A 67 GLU HGx 1.0 2.8 6.0 1785 1696 A 67 GLU HGy A 69 ILE HD1% 1.0 2.8 6.0 1786 1697 A 78 TYR HE% A 67 GLU HGx 1.0 3.3 8.0 1787 1697 A 67 GLU HGy A 78 TYR HE% 1.0 3.3 8.0 1788 1698 A 67 GLU H A 67 GLU HA 1.0 2.1 3.6 1789 1699 A 67 GLU H A 67 GLU HB3 1.0 2.2 4.0 1790 1700 A 67 GLU H A 67 GLU HB2 1.0 2.2 4.0 1791 1701 A 67 GLU H A 67 GLU HGx 1.0 2.1 3.9 1792 1701 A 67 GLU HGy A 67 GLU H 1.0 2.1 3.9 1793 1702 A 67 GLU H A 68 ASN HB3 1.0 3.0 5.9 1794 1703 A 67 GLU H A 68 ASN HB2 1.0 3.0 5.9 1795 1704 A 67 GLU H A 68 ASN H 1.0 2.1 3.6 1796 1705 A 67 GLU H A 69 ILE HD1% 1.0 3.2 6.4 1797 1706 A 67 GLU H A 69 ILE HG13 1.0 2.9 5.8 1798 1707 A 67 GLU H A 69 ILE HG12 1.0 2.9 5.8 1799 1708 A 67 GLU H A 69 ILE H 1.0 2.4 4.2 1800 1709 A 69 ILE H A 68 ASN HA 1.0 2.0 3.5 1801 1710 A 68 ASN HA A 70 THR HG2% 1.0 2.7 5.5 1802 1711 A 69 ILE HD1% A 68 ASN HB3 1.0 2.8 9.5 1803 1712 A 69 ILE H A 68 ASN HB3 1.0 2.3 6.2 1804 1713 A 69 ILE HD1% A 68 ASN HB2 1.0 2.8 9.5 1805 1714 A 69 ILE H A 68 ASN HB2 1.0 2.3 6.2 1806 1715 A 68 ASN HA A 68 ASN HD21 1.0 2.7 6.4 1807 1716 A 68 ASN HB3 A 68 ASN HD21 1.0 2.2 4.6 1808 1717 A 68 ASN HB2 A 68 ASN HD21 1.0 2.2 4.6 1809 1718 A 68 ASN HD21 A 68 ASN HD22 1.0 1.5 2.5 1810 1719 A 70 THR HG2% A 68 ASN HD21 1.0 3.4 7.0 1811 1720 A 68 ASN HA A 68 ASN HD22 1.0 2.7 6.4 1812 1721 A 68 ASN HB3 A 68 ASN HD22 1.0 2.2 4.6 1813 1722 A 68 ASN HB2 A 68 ASN HD22 1.0 2.5 4.6 1814 1723 A 70 THR HG2% A 68 ASN HD22 1.0 3.4 7.0 1815 1724 A 68 ASN H A 68 ASN HA 1.0 1.7 3.0 1816 1725 A 68 ASN H A 68 ASN HB3 1.0 2.2 3.8 1817 1726 A 68 ASN H A 68 ASN HB2 1.0 2.2 3.8 1818 1727 A 68 ASN H A 68 ASN HD21 1.0 2.2 5.5 1819 1728 A 68 ASN H A 68 ASN HD22 1.0 2.2 5.5 1820 1729 A 69 ILE HD1% A 68 ASN H 1.0 3.4 6.9 1821 1730 A 68 ASN H A 69 ILE HG13 1.0 2.9 6.7 1822 1731 A 68 ASN H A 69 ILE HG12 1.0 2.9 6.7 1823 1732 A 68 ASN H A 69 ILE H 1.0 2.1 3.6 1824 1733 A 69 ILE HA A 70 THR HB 1.0 3.3 5.6 1825 1734 A 69 ILE HA A 70 THR H 1.0 2.2 3.7 1826 1735 A 74 THR HG1 A 69 ILE HA 1.0 3.1 5.4 1827 1736 A 74 THR HG2% A 69 ILE HA 1.0 2.9 5.7 1828 1737 A 69 ILE HD1% A 69 ILE HA 1.0 2.1 4.2 1829 1738 A 69 ILE HD1% A 69 ILE HB 1.0 2.4 4.8 1830 1739 A 69 ILE HD1% A 69 ILE HG13 1.0 2.2 4.5 1831 1740 A 69 ILE HD1% A 69 ILE HG12 1.0 2.2 4.5 1832 1741 A 69 ILE HD1% A 69 ILE HG2% 1.0 2.3 5.3 1833 1742 A 69 ILE HD1% A 70 THR H 1.0 2.9 5.9 1834 1743 A 69 ILE HD1% A 71 SER H 1.0 3.1 6.3 1835 1744 A 69 ILE HD1% A 74 THR HB 1.0 2.5 5.0 1836 1745 A 69 ILE HD1% A 74 THR HG1 1.0 3.0 6.0 1837 1746 A 69 ILE HD1% A 74 THR HG2% 1.0 2.4 5.4 1838 1747 A 69 ILE HD1% A 74 THR H 1.0 3.6 7.1 1839 1748 A 69 ILE HD1% A 75 PHE HA 1.0 3.9 7.8 1840 1749 A 69 ILE HD1% A 75 PHE H 1.0 3.9 7.8 1841 1750 A 69 ILE HD1% A 76 LYS HE3 1.0 2.4 4.4 1842 1751 A 69 ILE HD1% A 76 LYS HE2 1.0 2.4 4.4 1843 1752 A 69 ILE HD1% A 76 LYS HG2 1.0 3.1 6.6 1844 1752 A 69 ILE HD1% A 76 LYS HG3 1.0 3.1 6.6 1845 1753 A 69 ILE HB A 69 ILE HG13 1.0 2.1 6.0 1846 1754 A 69 ILE HG2% A 69 ILE HG13 1.0 2.0 4.5 1847 1755 A 69 ILE HB A 69 ILE HG12 1.0 2.1 6.0 1848 1756 A 69 ILE HG2% A 69 ILE HG12 1.0 2.0 4.5 1849 1757 A 69 ILE HG2% A 69 ILE HA 1.0 2.3 4.6 1850 1758 A 69 ILE HG2% A 70 THR HA 1.0 2.8 5.6 1851 1759 A 69 ILE HG2% A 70 THR H 1.0 2.3 4.6 1852 1760 A 69 ILE HG2% A 71 SER H 1.0 2.4 4.9 1853 1761 A 74 THR HB A 69 ILE HG2% 1.0 2.6 5.2 1854 1762 A 74 THR HG1 A 69 ILE HG2% 1.0 2.5 5.0 1855 1763 A 69 ILE HB A 69 ILE H 1.0 2.2 3.7 1856 1764 A 69 ILE HD1% A 69 ILE H 1.0 2.5 5.0 1857 1765 A 69 ILE H A 69 ILE HG13 1.0 2.2 3.8 1858 1766 A 69 ILE H A 69 ILE HG12 1.0 2.2 3.8 1859 1767 A 69 ILE HG2% A 69 ILE H 1.0 2.7 5.3 1860 1768 A 69 ILE H A 70 THR HA 1.0 3.9 6.7 1861 1769 A 69 ILE H A 70 THR H 1.0 2.9 5.0 1862 1770 A 70 THR HA A 71 SER HA 1.0 2.9 5.0 1863 1771 A 71 SER H A 70 THR HA 1.0 2.2 3.8 1864 1772 A 70 THR HB A 71 SER H 1.0 2.8 4.8 1865 1773 A 70 THR HG2% A 70 THR HA 1.0 2.0 4.1 1866 1774 A 70 THR HG2% A 70 THR HB 1.0 2.0 4.1 1867 1775 A 70 THR HG2% A 71 SER H 1.0 2.8 5.6 1868 1776 A 74 THR HG1 A 70 THR HG2% 1.0 3.8 7.7 1869 1777 A 70 THR H A 70 THR HA 1.0 2.0 3.5 1870 1778 A 70 THR HG2% A 70 THR H 1.0 2.8 5.6 1871 1779 A 70 THR H A 71 SER H 1.0 2.0 3.5 1872 1780 A 74 THR HG1 A 70 THR H 1.0 3.0 5.2 1873 1781 A 71 SER HA A 72 MET H 1.0 2.1 3.6 1874 1782 A 72 MET H A 71 SER HB3 1.0 2.0 6.1 1875 1783 A 72 MET H A 71 SER HB2 1.0 2.0 6.1 1876 1784 A 71 SER H A 71 SER HB3 1.0 2.2 4.3 1877 1785 A 71 SER H A 71 SER HB2 1.0 2.2 4.3 1878 1786 A 74 THR HG1 A 71 SER H 1.0 2.7 4.6 1879 1787 A 72 MET HA A 73 PRO HA 1.0 1.7 2.9 1880 1788 A 72 MET HG3 A 73 PRO HA 1.0 2.6 4.8 1881 1789 A 74 THR HG1 A 72 MET HG3 1.0 3.5 7.8 1882 1790 A 72 MET HG2 A 73 PRO HA 1.0 2.6 4.8 1883 1791 A 72 MET H A 72 MET HA 1.0 2.7 4.6 1884 1792 A 73 PRO HB3 A 73 PRO HA 1.0 2.4 6.0 1885 1793 A 73 PRO HB2 A 73 PRO HA 1.0 2.4 6.0 1886 1794 A 73 PRO HG3 A 73 PRO HA 1.0 2.7 7.7 1887 1795 A 73 PRO HG2 A 73 PRO HA 1.0 2.7 7.7 1888 1796 A 74 THR HB A 73 PRO HA 1.0 3.2 5.5 1889 1797 A 74 THR HG1 A 73 PRO HA 1.0 3.3 5.6 1890 1798 A 74 THR H A 73 PRO HB3 1.0 2.4 5.4 1891 1799 A 74 THR H A 73 PRO HB2 1.0 2.4 5.4 1892 1800 A 90 ALA H A 73 PRO HD3 1.0 3.1 7.2 1893 1801 A 90 ALA H A 73 PRO HD2 1.0 3.1 7.2 1894 1802 A 74 THR H A 73 PRO HG3 1.0 3.0 7.0 1895 1803 A 74 THR H A 73 PRO HG2 1.0 3.0 7.0 1896 1804 A 75 PHE HA A 74 THR HA 1.0 2.9 5.0 1897 1805 A 75 PHE HD% A 74 THR HA 1.0 3.1 7.2 1898 1806 A 75 PHE HE% A 74 THR HA 1.0 3.6 8.3 1899 1807 A 75 PHE H A 74 THR HA 1.0 2.1 3.6 1900 1808 A 74 THR HG2% A 74 THR HB 1.0 2.2 4.5 1901 1809 A 75 PHE H A 74 THR HB 1.0 3.0 5.2 1902 1810 A 74 THR HG1 A 74 THR HA 1.0 2.6 4.4 1903 1811 A 74 THR HG1 A 74 THR HB 1.0 2.0 3.5 1904 1812 A 74 THR HG1 A 74 THR HG2% 1.0 2.4 4.9 1905 1813 A 75 PHE H A 74 THR HG1 1.0 3.1 5.3 1906 1814 A 74 THR HG1 A 88 LEU HD1% 1.0 2.9 8.2 1907 1815 A 74 THR HG1 A 88 LEU HD2% 1.0 2.9 8.2 1908 1816 A 74 THR HG2% A 74 THR HA 1.0 2.4 4.8 1909 1817 A 74 THR HG2% A 74 THR HB 1.0 2.2 4.5 1910 1818 A 75 PHE HA A 74 THR HG2% 1.0 2.8 5.6 1911 1819 A 75 PHE H A 74 THR HG2% 1.0 2.2 4.5 1912 1820 A 74 THR HG2% A 87 LEU H 1.0 2.2 4.3 1913 1821 A 74 THR HG2% A 88 LEU HD2% 1.0 2.0 5.0 1914 1821 A 74 THR HG2% A 88 LEU HD1% 1.0 2.0 5.0 1915 1822 A 74 THR HG2% A 88 LEU HG 1.0 2.2 4.3 1916 1823 A 74 THR HG2% A 89 GLY H 1.0 4.1 8.1 1917 1824 A 74 THR H A 74 THR HA 1.0 2.4 4.1 1918 1825 A 74 THR H A 74 THR HB 1.0 2.3 4.0 1919 1826 A 74 THR HG1 A 74 THR H 1.0 2.6 4.4 1920 1827 A 74 THR HG2% A 74 THR H 1.0 3.0 6.0 1921 1828 A 75 PHE HD% A 74 THR H 1.0 2.7 6.1 1922 1829 A 75 PHE H A 74 THR H 1.0 3.4 5.8 1923 1830 A 75 PHE HB3 A 75 PHE HA 1.0 2.2 4.0 1924 1831 A 75 PHE HB2 A 75 PHE HA 1.0 2.2 4.0 1925 1832 A 75 PHE HA A 75 PHE HD% 1.0 2.0 4.6 1926 1833 A 75 PHE HA A 75 PHE HE% 1.0 2.7 6.1 1927 1834 A 75 PHE HA A 75 PHE H 1.0 2.4 4.2 1928 1835 A 75 PHE HA A 76 LYS HA 1.0 2.7 4.7 1929 1836 A 75 PHE HA A 76 LYS HB3 1.0 2.5 6.7 1930 1837 A 75 PHE HA A 76 LYS HB2 1.0 2.5 6.7 1931 1838 A 75 PHE HA A 76 LYS H 1.0 1.9 3.2 1932 1839 A 75 PHE HA A 87 LEU HB3 1.0 2.5 6.6 1933 1840 A 75 PHE HA A 87 LEU HB2 1.0 2.5 6.6 1934 1841 A 75 PHE HA A 87 LEU HD1% 1.0 3.5 7.0 1935 1842 A 75 PHE HA A 87 LEU H 1.0 3.1 5.3 1936 1843 A 75 PHE HA A 95 LEU HD1% 1.0 3.2 6.4 1937 1844 A 75 PHE HB3 A 76 LYS H 1.0 2.4 6.7 1938 1845 A 75 PHE HB3 A 87 LEU HD1% 1.0 3.4 8.7 1939 1846 A 75 PHE HB3 A 87 LEU HD2% 1.0 2.4 6.6 1940 1847 A 75 PHE HB3 A 87 LEU H 1.0 2.7 4.7 1941 1848 A 75 PHE HB3 A 95 LEU HD1% 1.0 2.9 7.7 1942 1849 A 75 PHE HB2 A 76 LYS H 1.0 2.4 6.0 1943 1850 A 75 PHE HB2 A 87 LEU HD1% 1.0 3.4 8.7 1944 1851 A 75 PHE HB2 A 87 LEU HD2% 1.0 2.4 6.6 1945 1852 A 75 PHE HB2 A 87 LEU H 1.0 2.7 4.7 1946 1853 A 75 PHE HB2 A 95 LEU HD1% 1.0 2.9 7.7 1947 1854 A 75 PHE HB3 A 75 PHE HD% 1.0 2.0 4.1 1948 1855 A 75 PHE HB2 A 75 PHE HD% 1.0 2.0 4.1 1949 1856 A 75 PHE HD% A 87 LEU HD1% 1.0 2.7 7.0 1950 1857 A 75 PHE HD% A 87 LEU HG 1.0 2.1 4.8 1951 1858 A 75 PHE HD% A 87 LEU H 1.0 2.6 5.9 1952 1859 A 75 PHE HD% A 90 ALA HB% 1.0 3.6 9.2 1953 1860 A 75 PHE HD% A 95 LEU HD2% 1.0 2.0 5.0 1954 1861 A 75 PHE HD% A 95 LEU HG 1.0 2.2 5.0 1955 1862 A 75 PHE HB3 A 75 PHE HE% 1.0 2.4 7.1 1956 1863 A 75 PHE HB2 A 75 PHE HE% 1.0 2.4 7.1 1957 1864 A 75 PHE HE% A 76 LYS H 1.0 3.1 7.0 1958 1865 A 75 PHE HE% A 87 LEU HG 1.0 2.6 5.9 1959 1866 A 75 PHE HE% A 90 ALA HB% 1.0 2.6 6.7 1960 1867 A 75 PHE HE% A 95 LEU HD1% 1.0 2.6 6.7 1961 1868 A 75 PHE HE% A 95 LEU HD2% 1.0 2.3 5.9 1962 1869 A 75 PHE HE% A 95 LEU HG 1.0 2.7 6.1 1963 1870 A 75 PHE HA A 75 PHE H 1.0 2.4 4.2 1964 1871 A 75 PHE HB3 A 75 PHE H 1.0 2.4 4.2 1965 1872 A 75 PHE HB2 A 75 PHE H 1.0 2.4 4.2 1966 1873 A 75 PHE H A 75 PHE HD% 1.0 2.1 4.8 1967 1874 A 75 PHE H A 75 PHE HE% 1.0 2.7 6.2 1968 1875 A 75 PHE H A 76 LYS HA 1.0 3.5 6.0 1969 1876 A 75 PHE H A 76 LYS H 1.0 2.8 4.8 1970 1877 A 75 PHE H A 86 THR HA 1.0 2.9 4.9 1971 1878 A 75 PHE H A 87 LEU HB3 1.0 2.7 5.4 1972 1879 A 75 PHE H A 87 LEU HB2 1.0 2.7 5.4 1973 1880 A 75 PHE H A 87 LEU HD1% 1.0 3.5 7.0 1974 1881 A 75 PHE H A 87 LEU HD2% 1.0 2.9 5.9 1975 1882 A 75 PHE H A 87 LEU HG 1.0 2.9 5.0 1976 1883 A 75 PHE H A 87 LEU H 1.0 2.4 4.1 1977 1884 A 75 PHE H A 88 LEU HBy 1.0 3.1 7.2 1978 1885 A 75 PHE H A 88 LEU HBx 1.0 3.1 7.2 1979 1886 A 75 PHE H A 88 LEU HD2% 1.0 3.1 7.2 1980 1886 A 75 PHE H A 88 LEU HD1% 1.0 3.1 7.2 1981 1887 A 75 PHE H A 88 LEU H 1.0 3.5 6.0 1982 1888 A 75 PHE H A 89 GLY H 1.0 3.4 5.9 1983 1889 A 75 PHE H A 95 LEU HD1% 1.0 3.7 7.4 1984 1890 A 90 ALA HB% A 75 PHE HZ 1.0 2.6 5.2 1985 1891 A 76 LYS HA A 76 LYS HB3 1.0 2.1 4.0 1986 1892 A 76 LYS HA A 76 LYS HB2 1.0 2.1 4.0 1987 1893 A 76 LYS HA A 76 LYS HD2 1.0 2.2 4.0 1988 1893 A 76 LYS HA A 76 LYS HD3 1.0 2.2 4.0 1989 1894 A 76 LYS HA A 76 LYS HE3 1.0 3.4 7.7 1990 1895 A 76 LYS HA A 76 LYS HE2 1.0 3.4 7.7 1991 1896 A 76 LYS HA A 76 LYS HG2 1.0 2.4 4.6 1992 1896 A 76 LYS HA A 76 LYS HG3 1.0 2.4 4.6 1993 1897 A 76 LYS HA A 77 VAL H 1.0 2.0 3.4 1994 1898 A 78 TYR HE% A 76 LYS HA 1.0 2.8 6.4 1995 1899 A 84 VAL HG1% A 76 LYS HA 1.0 3.9 7.8 1996 1900 A 76 LYS HA A 85 ASP H 1.0 2.9 4.9 1997 1901 A 76 LYS HA A 86 THR HA 1.0 2.0 3.5 1998 1902 A 76 LYS HA A 86 THR HB 1.0 2.7 4.7 1999 1903 A 76 LYS HA A 86 THR HG2% 1.0 2.7 5.3 2000 1904 A 76 LYS HA A 86 THR H 1.0 3.3 5.6 2001 1905 A 76 LYS HA A 87 LEU H 1.0 2.4 4.2 2002 1906 A 76 LYS HB3 A 77 VAL H 1.0 2.6 4.7 2003 1907 A 78 TYR HE% A 76 LYS HB3 1.0 1.9 4.5 2004 1908 A 76 LYS HB3 A 86 THR HA 1.0 2.2 6.7 2005 1909 A 76 LYS HB3 A 86 THR HG2% 1.0 2.4 4.9 2006 1910 A 76 LYS HB2 A 77 VAL H 1.0 2.6 4.7 2007 1911 A 78 TYR HE% A 76 LYS HB2 1.0 1.9 4.5 2008 1912 A 76 LYS HB2 A 86 THR HA 1.0 2.2 6.7 2009 1913 A 76 LYS HB2 A 86 THR HG2% 1.0 2.4 4.9 2010 1914 A 77 VAL H A 76 LYS HD2 1.0 2.4 4.4 2011 1914 A 76 LYS HD3 A 77 VAL H 1.0 2.4 4.4 2012 1915 A 86 THR HA A 76 LYS HD2 1.0 2.7 4.9 2013 1915 A 86 THR HA A 76 LYS HD3 1.0 2.7 4.9 2014 1916 A 86 THR HG2% A 76 LYS HD2 1.0 2.2 4.7 2015 1916 A 76 LYS HD3 A 86 THR HG2% 1.0 2.2 4.7 2016 1917 A 76 LYS HE3 A 86 THR HG2% 1.0 2.5 5.5 2017 1918 A 76 LYS HE2 A 86 THR HG2% 1.0 2.5 5.5 2018 1919 A 76 LYS H A 76 LYS HA 1.0 2.5 4.3 2019 1920 A 76 LYS H A 76 LYS HB3 1.0 2.2 4.0 2020 1921 A 76 LYS H A 77 VAL H 1.0 2.9 4.9 2021 1922 A 76 LYS H A 86 THR HA 1.0 2.9 5.0 2022 1923 A 76 LYS H A 87 LEU H 1.0 3.1 5.3 2023 1924 A 78 TYR HD% A 77 VAL HA 1.0 2.7 6.2 2024 1925 A 78 TYR HD% A 77 VAL HA 1.0 2.7 6.2 2025 1926 A 84 VAL HG1% A 77 VAL HA 1.0 3.0 6.0 2026 1927 A 77 VAL HA A 84 VAL HG2% 1.0 4.1 8.1 2027 1928 A 77 VAL HG1% A 77 VAL HB 1.0 2.1 4.2 2028 1929 A 77 VAL HG2% A 77 VAL HB 1.0 2.1 4.2 2029 1930 A 78 TYR H A 77 VAL HB 1.0 2.9 5.0 2030 1931 A 77 VAL HB A 83 SER HB3 1.0 2.8 7.4 2031 1932 A 77 VAL HB A 83 SER HB2 1.0 2.8 7.4 2032 1933 A 84 VAL HG1% A 77 VAL HB 1.0 2.4 4.8 2033 1934 A 77 VAL HB A 84 VAL H 1.0 2.8 4.8 2034 1935 A 77 VAL HB A 85 ASP HB3 1.0 2.2 5.8 2035 1936 A 77 VAL HB A 85 ASP HB2 1.0 2.2 5.8 2036 1937 A 102 TYR HE% A 77 VAL HB 1.0 2.7 6.2 2037 1938 A 77 VAL HG1% A 77 VAL HA 1.0 2.6 5.2 2038 1939 A 77 VAL HG1% A 77 VAL HB 1.0 2.0 4.1 2039 1940 A 77 VAL HG1% A 77 VAL HG2% 1.0 2.2 5.0 2040 1941 A 78 TYR HB2 A 77 VAL HG1% 1.0 3.4 6.7 2041 1942 A 78 TYR HD% A 77 VAL HG1% 1.0 2.9 7.6 2042 1943 A 78 TYR H A 77 VAL HG1% 1.0 2.3 4.6 2043 1944 A 79 LYS HA A 77 VAL HG1% 1.0 3.4 6.7 2044 1945 A 79 LYS HB3 A 77 VAL HG1% 1.0 2.8 6.3 2045 1946 A 79 LYS HB2 A 77 VAL HG1% 1.0 2.8 6.3 2046 1947 A 77 VAL HG1% A 79 LYS HEx 1.0 3.6 7.7 2047 1947 A 79 LYS HEy A 77 VAL HG1% 1.0 3.6 7.7 2048 1948 A 79 LYS H A 77 VAL HG1% 1.0 3.1 6.3 2049 1949 A 77 VAL HG1% A 84 VAL HA 1.0 3.5 7.0 2050 1950 A 84 VAL HG1% A 77 VAL HG1% 1.0 2.4 5.4 2051 1951 A 77 VAL HG1% A 84 VAL HG2% 1.0 3.0 6.9 2052 1952 A 77 VAL HG1% A 84 VAL H 1.0 2.9 5.9 2053 1953 A 77 VAL HG1% A 85 ASP HB3 1.0 3.0 7.8 2054 1954 A 77 VAL HG1% A 85 ASP H 1.0 2.9 5.7 2055 1955 A 77 VAL HG1% A 98 LEU HD1% 1.0 2.9 7.2 2056 1956 A 77 VAL HG1% A 98 LEU HD2% 1.0 2.9 7.2 2057 1957 A 77 VAL HG1% A 102 TYR HA 1.0 3.4 6.9 2058 1958 A 77 VAL HG1% A 102 TYR HB3 1.0 2.7 5.5 2059 1959 A 77 VAL HG1% A 102 TYR HB2 1.0 2.7 5.5 2060 1960 A 77 VAL HG1% A 102 TYR HD% 1.0 2.4 6.1 2061 1961 A 77 VAL HG1% A 102 TYR HE% 1.0 2.5 6.5 2062 1962 A 77 VAL HG1% A 102 TYR H 1.0 3.6 7.3 2063 1963 A 77 VAL HG2% A 77 VAL HA 1.0 2.6 5.2 2064 1964 A 77 VAL HG2% A 77 VAL HB 1.0 2.1 4.2 2065 1965 A 78 TYR HD% A 77 VAL HG2% 1.0 3.3 8.5 2066 1966 A 78 TYR H A 77 VAL HG2% 1.0 2.9 5.7 2067 1967 A 84 VAL HG1% A 77 VAL HG2% 1.0 2.4 5.6 2068 1968 A 77 VAL HG2% A 84 VAL H 1.0 3.4 6.9 2069 1969 A 77 VAL HG2% A 85 ASP HB3 1.0 2.8 7.4 2070 1970 A 77 VAL HG2% A 85 ASP HB2 1.0 2.8 7.4 2071 1971 A 77 VAL HG2% A 85 ASP H 1.0 2.8 5.6 2072 1972 A 77 VAL HG2% A 86 THR HA 1.0 4.0 8.0 2073 1973 A 77 VAL HG2% A 87 LEU H 1.0 3.6 7.1 2074 1974 A 77 VAL HG2% A 98 LEU HA 1.0 3.1 6.2 2075 1975 A 77 VAL HG2% A 98 LEU HD1% 1.0 2.2 7.6 2076 1976 A 77 VAL HG2% A 98 LEU HD2% 1.0 2.2 7.6 2077 1977 A 77 VAL HG2% A 102 TYR HA 1.0 3.8 7.6 2078 1978 A 77 VAL HG2% A 102 TYR HB3 1.0 2.6 6.7 2079 1979 A 77 VAL HG2% A 102 TYR HB2 1.0 2.6 6.7 2080 1980 A 77 VAL HG2% A 102 TYR HD% 1.0 2.4 6.1 2081 1981 A 102 TYR HE% A 77 VAL HG2% 1.0 2.7 6.8 2082 1982 A 77 VAL HB A 77 VAL H 1.0 2.1 3.6 2083 1983 A 77 VAL HG1% A 77 VAL H 1.0 2.7 5.3 2084 1984 A 77 VAL HG2% A 77 VAL H 1.0 2.3 4.6 2085 1985 A 78 TYR HD% A 77 VAL H 1.0 3.4 7.7 2086 1986 A 78 TYR H A 77 VAL H 1.0 3.0 5.2 2087 1987 A 77 VAL H A 84 VAL HA 1.0 4.1 7.1 2088 1988 A 77 VAL H A 84 VAL HB 1.0 3.2 5.5 2089 1989 A 84 VAL HG1% A 77 VAL H 1.0 3.1 6.3 2090 1990 A 77 VAL H A 84 VAL H 1.0 2.9 5.0 2091 1991 A 77 VAL H A 85 ASP HB3 1.0 3.1 7.1 2092 1992 A 77 VAL H A 85 ASP HB2 1.0 3.1 7.1 2093 1993 A 77 VAL H A 85 ASP H 1.0 2.4 4.2 2094 1994 A 86 THR HA A 77 VAL H 1.0 2.4 4.2 2095 1995 A 77 VAL H A 86 THR HG2% 1.0 3.5 7.0 2096 1996 A 87 LEU H A 77 VAL H 1.0 3.2 5.5 2097 1997 A 102 TYR HE% A 77 VAL H 1.0 2.7 6.2 2098 1998 A 84 VAL H A 78 TYR HA 1.0 2.2 3.8 2099 1999 A 78 TYR HD% A 78 TYR HB3 1.0 2.0 4.5 2100 2000 A 78 TYR HB3 A 79 LYS H 1.0 2.5 4.3 2101 2001 A 78 TYR HB3 A 82 SER H 1.0 2.7 4.7 2102 2002 A 78 TYR HD% A 78 TYR HB2 1.0 2.0 4.6 2103 2003 A 78 TYR HB2 A 79 LYS H 1.0 2.7 4.6 2104 2004 A 15 ILE HG13 A 78 TYR HD% 1.0 3.2 7.1 2105 2005 A 15 ILE HG12 A 78 TYR HD% 1.0 3.2 7.1 2106 2006 A 15 ILE HG2% A 78 TYR HD% 1.0 2.3 5.9 2107 2007 A 78 TYR HD% A 21 VAL HG1% 1.0 2.4 6.3 2108 2008 A 78 TYR HD% A 21 VAL HG2% 1.0 3.0 7.7 2109 2009 A 78 TYR HD% A 77 VAL HG1% 1.0 2.9 7.6 2110 2010 A 78 TYR HD% A 77 VAL HG2% 1.0 3.3 8.5 2111 2011 A 78 TYR HD% A 78 TYR HB3 1.0 2.0 4.6 2112 2012 A 78 TYR HD% A 78 TYR HB2 1.0 2.0 4.6 2113 2013 A 78 TYR HE% A 78 TYR HD% 1.0 1.7 4.8 2114 2014 A 78 TYR HD% A 78 TYR H 1.0 2.2 5.0 2115 2015 A 78 TYR HD% A 79 LYS H 1.0 3.0 6.9 2116 2016 A 78 TYR HD% A 82 SER HA 1.0 2.4 5.6 2117 2017 A 78 TYR HD% A 82 SER H 1.0 2.9 6.6 2118 2018 A 78 TYR HD% A 83 SER HA 1.0 2.7 6.2 2119 2019 A 78 TYR HD% A 83 SER HB3 1.0 2.6 5.5 2120 2020 A 78 TYR HD% A 83 SER HB2 1.0 2.6 5.5 2121 2021 A 78 TYR HD% A 83 SER H 1.0 2.7 6.1 2122 2022 A 78 TYR HD% A 84 VAL H 1.0 2.9 6.6 2123 2023 A 78 TYR HE% A 78 TYR HB2 1.0 2.8 6.4 2124 2024 A 78 TYR HE% A 82 SER HA 1.0 3.1 7.2 2125 2025 A 78 TYR HE% A 83 SER HB3 1.0 2.7 7.1 2126 2026 A 78 TYR HE% A 83 SER HB2 1.0 2.7 7.1 2127 2027 A 78 TYR HE% A 83 SER H 1.0 2.7 6.2 2128 2028 A 78 TYR H A 78 TYR HB3 1.0 2.5 4.3 2129 2029 A 78 TYR H A 78 TYR HB2 1.0 2.4 4.2 2130 2030 A 78 TYR HE% A 78 TYR H 1.0 2.7 6.1 2131 2031 A 78 TYR H A 79 LYS HA 1.0 3.5 6.0 2132 2032 A 78 TYR H A 79 LYS H 1.0 3.4 5.8 2133 2033 A 78 TYR H A 84 VAL HG1% 1.0 3.1 6.3 2134 2034 A 78 TYR H A 84 VAL H 1.0 3.5 6.0 2135 2035 A 79 LYS HA A 79 LYS HB3 1.0 2.2 3.8 2136 2036 A 79 LYS HA A 79 LYS HB2 1.0 2.2 3.8 2137 2037 A 79 LYS HA A 79 LYS HDx 1.0 2.4 4.6 2138 2037 A 79 LYS HA A 79 LYS HDy 1.0 2.4 4.6 2139 2038 A 79 LYS HA A 79 LYS HEx 1.0 2.7 4.9 2140 2038 A 79 LYS HA A 79 LYS HEy 1.0 2.7 4.9 2141 2039 A 79 LYS HA A 79 LYS HG3 1.0 2.2 3.8 2142 2040 A 79 LYS HA A 79 LYS HG2 1.0 2.2 3.8 2143 2041 A 79 LYS HA A 80 ASN HB3 1.0 3.0 7.0 2144 2042 A 79 LYS HA A 80 ASN HB2 1.0 3.0 7.0 2145 2043 A 79 LYS HA A 80 ASN HD22 1.0 3.6 6.2 2146 2044 A 79 LYS HA A 80 ASN H 1.0 2.0 3.4 2147 2045 A 81 GLY H A 79 LYS HA 1.0 2.8 4.8 2148 2046 A 82 SER H A 79 LYS HA 1.0 3.2 5.5 2149 2047 A 79 LYS HA A 84 VAL HG1% 1.0 3.0 6.0 2150 2048 A 79 LYS HA A 84 VAL HG2% 1.0 2.9 5.7 2151 2049 A 79 LYS HB3 A 80 ASN H 1.0 2.5 4.4 2152 2050 A 79 LYS HB2 A 80 ASN H 1.0 2.5 4.4 2153 2051 A 79 LYS HB2 A 102 TYR HE% 1.0 3.1 8.7 2154 2052 A 80 ASN H A 79 LYS HDx 1.0 2.7 4.9 2155 2052 A 80 ASN H A 79 LYS HDy 1.0 2.7 4.9 2156 2053 A 80 ASN HD21 A 79 LYS HEx 1.0 2.2 4.2 2157 2053 A 79 LYS HEy A 80 ASN HD21 1.0 2.2 4.2 2158 2054 A 80 ASN HD22 A 79 LYS HEx 1.0 2.6 4.8 2159 2054 A 79 LYS HEy A 80 ASN HD22 1.0 2.6 4.8 2160 2055 A 80 ASN HD21 A 79 LYS HG3 1.0 2.4 6.0 2161 2056 A 80 ASN H A 79 LYS HG3 1.0 2.5 4.4 2162 2057 A 80 ASN HD21 A 79 LYS HG2 1.0 2.4 6.0 2163 2058 A 80 ASN H A 79 LYS HG2 1.0 2.5 4.4 2164 2059 A 79 LYS H A 79 LYS HA 1.0 2.4 4.2 2165 2060 A 79 LYS H A 79 LYS HB3 1.0 2.3 4.2 2166 2061 A 79 LYS H A 79 LYS HB2 1.0 2.3 4.2 2167 2062 A 79 LYS H A 79 LYS HG3 1.0 2.4 4.4 2168 2062 A 79 LYS H A 79 LYS HG2 1.0 2.4 4.4 2169 2063 A 79 LYS H A 80 ASN H 1.0 3.1 5.3 2170 2064 A 81 GLY H A 79 LYS H 1.0 3.1 5.3 2171 2065 A 82 SER HA A 79 LYS H 1.0 2.8 4.8 2172 2066 A 79 LYS H A 82 SER H 1.0 2.2 3.7 2173 2067 A 79 LYS H A 83 SER HA 1.0 2.4 4.1 2174 2068 A 79 LYS H A 84 VAL HG1% 1.0 2.7 5.3 2175 2069 A 79 LYS H A 84 VAL HG2% 1.0 2.4 4.8 2176 2070 A 79 LYS H A 84 VAL H 1.0 2.9 4.9 2177 2071 A 81 GLY H A 80 ASN HA 1.0 2.1 3.6 2178 2072 A 82 SER H A 80 ASN HA 1.0 2.9 4.9 2179 2073 A 80 ASN HA A 80 ASN HB3 1.0 1.7 3.5 2180 2074 A 81 GLY H A 80 ASN HB3 1.0 2.8 5.2 2181 2075 A 80 ASN HA A 80 ASN HB2 1.0 1.7 3.5 2182 2076 A 80 ASN HB3 A 80 ASN HB2 1.0 1.5 2.7 2183 2077 A 81 GLY H A 80 ASN HB2 1.0 2.8 5.2 2184 2078 A 80 ASN HA A 80 ASN HD21 1.0 2.9 4.9 2185 2079 A 80 ASN HB2 A 80 ASN HD21 1.0 2.2 5.6 2186 2080 A 80 ASN HD21 A 80 ASN H 1.0 3.6 6.2 2187 2081 A 80 ASN HA A 80 ASN HD22 1.0 2.7 4.7 2188 2082 A 80 ASN HB3 A 80 ASN HD22 1.0 2.2 4.1 2189 2083 A 80 ASN HB2 A 80 ASN HD22 1.0 2.2 4.1 2190 2084 A 80 ASN HD21 A 80 ASN HD22 1.0 1.5 2.6 2191 2085 A 80 ASN H A 80 ASN HD22 1.0 3.3 5.6 2192 2086 A 80 ASN HA A 80 ASN H 1.0 1.9 3.2 2193 2087 A 80 ASN HB3 A 80 ASN H 1.0 2.4 4.2 2194 2088 A 80 ASN HB2 A 80 ASN H 1.0 2.4 4.2 2195 2089 A 80 ASN HD21 A 80 ASN H 1.0 3.1 5.4 2196 2090 A 80 ASN H A 80 ASN HD22 1.0 3.1 5.3 2197 2091 A 81 GLY HA3 A 80 ASN H 1.0 3.2 6.0 2198 2092 A 81 GLY HA2 A 80 ASN H 1.0 3.2 6.0 2199 2093 A 81 GLY H A 80 ASN H 1.0 2.5 4.3 2200 2094 A 82 SER H A 80 ASN H 1.0 3.1 5.4 2201 2095 A 80 ASN H A 84 VAL HG1% 1.0 3.7 7.4 2202 2096 A 80 ASN H A 84 VAL HG2% 1.0 3.6 7.1 2203 2097 A 81 GLY HA3 A 82 SER H 1.0 1.9 4.1 2204 2098 A 81 GLY HA2 A 82 SER H 1.0 1.9 4.1 2205 2099 A 81 GLY HA3 A 81 GLY H 1.0 2.1 4.0 2206 2100 A 81 GLY HA2 A 81 GLY H 1.0 2.1 4.0 2207 2101 A 81 GLY H A 82 SER H 1.0 2.2 3.8 2208 2102 A 82 SER HA A 83 SER H 1.0 2.0 3.4 2209 2103 A 83 SER H A 82 SER HB3 1.0 2.2 4.1 2210 2104 A 83 SER H A 82 SER HB2 1.0 2.0 4.3 2211 2105 A 82 SER HA A 82 SER H 1.0 2.2 3.7 2212 2106 A 82 SER H A 82 SER HB3 1.0 2.0 3.7 2213 2107 A 82 SER H A 82 SER HB2 1.0 2.0 3.7 2214 2108 A 82 SER H A 83 SER H 1.0 2.9 5.0 2215 2109 A 82 SER H A 84 VAL HG1% 1.0 3.5 7.0 2216 2110 A 84 VAL H A 83 SER HA 1.0 2.1 3.6 2217 2111 A 85 ASP H A 83 SER HA 1.0 2.5 4.3 2218 2112 A 83 SER HB3 A 84 VAL H 1.0 2.6 4.6 2219 2113 A 85 ASP H A 83 SER HB3 1.0 3.0 7.2 2220 2114 A 83 SER HB2 A 84 VAL H 1.0 2.6 4.6 2221 2115 A 85 ASP H A 83 SER HB2 1.0 3.0 7.2 2222 2116 A 83 SER HA A 83 SER H 1.0 2.6 4.4 2223 2117 A 83 SER HB3 A 83 SER H 1.0 2.2 4.0 2224 2118 A 83 SER HB2 A 83 SER H 1.0 2.2 4.0 2225 2119 A 84 VAL H A 83 SER H 1.0 2.8 4.8 2226 2120 A 85 ASP H A 84 VAL HA 1.0 2.3 4.0 2227 2121 A 102 TYR HE% A 84 VAL HA 1.0 3.5 8.0 2228 2122 A 85 ASP H A 84 VAL HB 1.0 2.3 4.0 2229 2123 A 84 VAL HG1% A 85 ASP H 1.0 2.4 4.9 2230 2124 A 84 VAL HG1% A 86 THR H 1.0 3.9 7.8 2231 2125 A 84 VAL HG1% A 102 TYR HD% 1.0 2.8 7.2 2232 2126 A 84 VAL HG1% A 102 TYR HE% 1.0 2.4 6.1 2233 2127 A 102 TYR HE% A 84 VAL HG2% 1.0 3.0 7.7 2234 2128 A 84 VAL H A 84 VAL HA 1.0 2.2 3.8 2235 2129 A 84 VAL H A 84 VAL HB 1.0 2.4 4.1 2236 2130 A 84 VAL HG1% A 84 VAL H 1.0 2.2 4.3 2237 2131 A 84 VAL HG2% A 84 VAL H 1.0 2.4 4.8 2238 2132 A 84 VAL H A 85 ASP HA 1.0 2.9 4.9 2239 2133 A 85 ASP H A 84 VAL H 1.0 2.0 3.5 2240 2134 A 102 TYR HE% A 84 VAL H 1.0 3.1 7.0 2241 2135 A 86 THR HG2% A 85 ASP HA 1.0 3.8 7.6 2242 2136 A 86 THR H A 85 ASP HA 1.0 2.0 3.4 2243 2137 A 102 TYR HE% A 85 ASP HA 1.0 3.2 7.4 2244 2138 A 86 THR H A 85 ASP HB3 1.0 2.4 4.9 2245 2139 A 85 ASP HB3 A 98 LEU HD1% 1.0 2.2 7.4 2246 2140 A 85 ASP HB3 A 98 LEU HD2% 1.0 2.2 7.4 2247 2141 A 86 THR H A 85 ASP HB2 1.0 2.4 4.9 2248 2142 A 85 ASP HB2 A 98 LEU HD1% 1.0 2.2 7.4 2249 2143 A 85 ASP HB2 A 98 LEU HD2% 1.0 2.2 7.4 2250 2144 A 85 ASP H A 85 ASP HA 1.0 2.3 4.0 2251 2145 A 85 ASP H A 85 ASP HB3 1.0 2.4 6.0 2252 2146 A 85 ASP H A 85 ASP HB2 1.0 2.4 6.0 2253 2147 A 86 THR HA A 85 ASP H 1.0 3.1 5.4 2254 2148 A 85 ASP H A 86 THR HG2% 1.0 2.5 5.0 2255 2149 A 85 ASP H A 86 THR H 1.0 3.0 5.2 2256 2150 A 86 THR HA A 86 THR HB 1.0 2.2 3.8 2257 2151 A 87 LEU H A 86 THR HA 1.0 2.0 3.4 2258 2152 A 86 THR HA A 98 LEU HD1% 1.0 3.2 8.9 2259 2153 A 86 THR HA A 98 LEU HD2% 1.0 3.2 8.9 2260 2154 A 87 LEU H A 86 THR HB 1.0 2.8 4.8 2261 2155 A 86 THR HA A 86 THR H 1.0 2.4 4.1 2262 2156 A 86 THR HB A 86 THR H 1.0 2.2 3.7 2263 2157 A 86 THR HG2% A 86 THR H 1.0 2.7 5.3 2264 2158 A 87 LEU H A 86 THR H 1.0 3.1 5.3 2265 2159 A 86 THR H A 98 LEU HD1% 1.0 2.9 8.2 2266 2160 A 86 THR H A 98 LEU HD2% 1.0 2.9 8.2 2267 2161 A 102 TYR HE% A 86 THR H 1.0 3.7 8.5 2268 2162 A 87 LEU HB3 A 88 LEU H 1.0 2.2 7.0 2269 2163 A 87 LEU HB2 A 88 LEU H 1.0 2.2 7.0 2270 2164 A 87 LEU HB3 A 87 LEU HD1% 1.0 2.1 4.6 2271 2165 A 87 LEU HB2 A 87 LEU HD1% 1.0 2.1 4.6 2272 2166 A 87 LEU HD1% A 87 LEU HG 1.0 2.0 3.9 2273 2167 A 87 LEU HD1% A 88 LEU H 1.0 2.3 4.6 2274 2168 A 89 GLY H A 87 LEU HD1% 1.0 3.8 7.7 2275 2169 A 90 ALA HB% A 87 LEU HD1% 1.0 2.8 6.4 2276 2170 A 90 ALA H A 87 LEU HD1% 1.0 3.3 6.6 2277 2171 A 87 LEU HD1% A 91 ASN HB3 1.0 3.4 8.7 2278 2172 A 87 LEU HD1% A 91 ASN HB2 1.0 3.4 8.7 2279 2173 A 87 LEU HD1% A 94 ALA HB% 1.0 2.2 5.0 2280 2174 A 87 LEU HD1% A 94 ALA H 1.0 2.9 5.9 2281 2175 A 87 LEU HD1% A 95 LEU HA 1.0 2.6 5.2 2282 2176 A 95 LEU HD1% A 87 LEU HD1% 1.0 2.9 6.6 2283 2177 A 95 LEU H A 87 LEU HD1% 1.0 3.1 6.2 2284 2178 A 87 LEU HB3 A 87 LEU HD2% 1.0 1.8 3.6 2285 2179 A 87 LEU HB2 A 87 LEU HD2% 1.0 1.8 3.6 2286 2180 A 87 LEU HD2% A 87 LEU HG 1.0 1.8 3.6 2287 2181 A 87 LEU HD2% A 91 ASN HB3 1.0 4.1 10.1 2288 2182 A 87 LEU HD2% A 91 ASN HB2 1.0 4.1 10.1 2289 2183 A 87 LEU HD2% A 94 ALA HB% 1.0 2.2 5.0 2290 2184 A 87 LEU HG A 88 LEU H 1.0 2.4 4.2 2291 2185 A 87 LEU H A 87 LEU HB3 1.0 2.4 5.9 2292 2186 A 87 LEU H A 87 LEU HB2 1.0 2.4 5.9 2293 2187 A 87 LEU H A 87 LEU HD1% 1.0 2.9 5.7 2294 2188 A 87 LEU H A 87 LEU HD2% 1.0 2.5 5.0 2295 2189 A 87 LEU H A 87 LEU HG 1.0 2.7 4.6 2296 2190 A 87 LEU H A 88 LEU HA 1.0 2.9 4.9 2297 2191 A 87 LEU H A 88 LEU HD2% 1.0 3.3 7.5 2298 2191 A 87 LEU H A 88 LEU HD1% 1.0 3.3 7.5 2299 2192 A 87 LEU H A 88 LEU H 1.0 3.2 5.5 2300 2193 A 88 LEU HG A 88 LEU HA 1.0 2.4 4.2 2301 2194 A 89 GLY H A 88 LEU HA 1.0 2.1 3.6 2302 2195 A 89 GLY H A 88 LEU HBy 1.0 2.4 5.3 2303 2196 A 89 GLY H A 88 LEU HBx 1.0 2.4 5.3 2304 2197 A 89 GLY H A 88 LEU HD2% 1.0 2.7 6.1 2305 2197 A 88 LEU HD1% A 89 GLY H 1.0 2.7 6.1 2306 2198 A 88 LEU HD1% A 88 LEU HA 1.0 2.4 6.0 2307 2199 A 88 LEU HD1% A 88 LEU H 1.0 2.9 6.4 2308 2200 A 88 LEU HA A 88 LEU HD2% 1.0 2.4 6.0 2309 2201 A 88 LEU H A 88 LEU HD2% 1.0 2.9 6.4 2310 2202 A 88 LEU HG A 89 GLY H 1.0 3.1 5.3 2311 2203 A 88 LEU H A 88 LEU HA 1.0 2.6 4.4 2312 2204 A 88 LEU HBy A 88 LEU H 1.0 2.2 4.0 2313 2205 A 88 LEU HBx A 88 LEU H 1.0 2.2 4.0 2314 2206 A 88 LEU HG A 88 LEU H 1.0 2.2 3.7 2315 2207 A 89 GLY H A 88 LEU H 1.0 3.2 5.5 2316 2208 A 90 ALA HB% A 89 GLY HA3 1.0 2.0 7.4 2317 2209 A 90 ALA H A 89 GLY HA3 1.0 2.0 3.6 2318 2210 A 90 ALA HB% A 89 GLY HA2 1.0 2.0 7.4 2319 2211 A 90 ALA H A 89 GLY HA2 1.0 2.0 3.6 2320 2212 A 89 GLY H A 89 GLY HA3 1.0 2.2 3.7 2321 2213 A 89 GLY H A 89 GLY HA2 1.0 2.2 3.7 2322 2214 A 90 ALA HB% A 89 GLY H 1.0 3.6 7.1 2323 2215 A 90 ALA H A 89 GLY H 1.0 2.8 4.8 2324 2216 A 90 ALA HA A 91 ASN HB3 1.0 3.1 7.1 2325 2217 A 90 ALA HA A 91 ASN HB2 1.0 3.1 7.1 2326 2218 A 91 ASN H A 90 ALA HA 1.0 2.0 3.4 2327 2219 A 90 ALA HA A 94 ALA HB% 1.0 3.4 6.7 2328 2220 A 90 ALA HB% A 90 ALA HA 1.0 2.0 4.1 2329 2221 A 90 ALA HB% A 91 ASN H 1.0 2.7 5.3 2330 2222 A 90 ALA HB% A 95 LEU HD1% 1.0 4.5 10.2 2331 2223 A 90 ALA HB% A 95 LEU HD2% 1.0 3.1 7.2 2332 2224 A 90 ALA H A 90 ALA HA 1.0 2.2 3.8 2333 2225 A 90 ALA HB% A 90 ALA H 1.0 2.2 4.3 2334 2226 A 90 ALA H A 91 ASN H 1.0 2.6 4.4 2335 2227 A 92 ASP H A 91 ASN HA 1.0 2.2 3.7 2336 2228 A 93 SER H A 91 ASN HA 1.0 2.9 5.0 2337 2229 A 91 ASN HB3 A 91 ASN HA 1.0 2.3 4.2 2338 2230 A 92 ASP H A 91 ASN HB3 1.0 2.4 4.7 2339 2231 A 93 SER H A 91 ASN HB3 1.0 3.1 6.5 2340 2232 A 91 ASN HB3 A 94 ALA HB% 1.0 2.3 4.9 2341 2233 A 91 ASN HB3 A 94 ALA H 1.0 2.2 4.8 2342 2234 A 95 LEU H A 91 ASN HB3 1.0 3.5 8.3 2343 2235 A 91 ASN HB2 A 91 ASN HA 1.0 2.3 4.2 2344 2236 A 92 ASP H A 91 ASN HB2 1.0 2.4 4.7 2345 2237 A 93 SER H A 91 ASN HB2 1.0 3.1 6.5 2346 2238 A 91 ASN HB2 A 94 ALA HB% 1.0 2.3 4.9 2347 2239 A 91 ASN HB2 A 94 ALA H 1.0 2.2 4.8 2348 2240 A 95 LEU H A 91 ASN HB2 1.0 3.5 8.3 2349 2241 A 91 ASN HB3 A 91 ASN HD21 1.0 2.2 4.2 2350 2242 A 91 ASN HB2 A 91 ASN HD21 1.0 2.2 4.2 2351 2243 A 91 ASN HD21 A 91 ASN HD22 1.0 1.9 3.2 2352 2244 A 94 ALA HB% A 91 ASN HD21 1.0 2.8 6.0 2353 2245 A 91 ASN HB3 A 91 ASN HD22 1.0 2.2 4.2 2354 2246 A 91 ASN HB2 A 91 ASN HD22 1.0 2.2 4.2 2355 2247 A 94 ALA HB% A 91 ASN HD22 1.0 2.8 6.0 2356 2248 A 91 ASN H A 91 ASN HA 1.0 2.7 4.7 2357 2249 A 91 ASN H A 91 ASN HB3 1.0 2.2 4.1 2358 2250 A 91 ASN H A 91 ASN HB2 1.0 2.2 4.1 2359 2251 A 91 ASN H A 92 ASP H 1.0 2.8 4.8 2360 2252 A 91 ASN H A 94 ALA HB% 1.0 3.0 6.0 2361 2253 A 92 ASP HA A 93 SER H 1.0 2.4 4.2 2362 2254 A 92 ASP HA A 95 LEU H 1.0 2.3 4.0 2363 2255 A 92 ASP HA A 96 LYS H 1.0 2.6 4.4 2364 2256 A 93 SER H A 92 ASP HB3 1.0 2.2 6.2 2365 2257 A 93 SER H A 92 ASP HB2 1.0 2.2 6.2 2366 2258 A 92 ASP HA A 92 ASP H 1.0 2.3 4.0 2367 2259 A 92 ASP H A 92 ASP HB3 1.0 2.0 4.0 2368 2260 A 92 ASP H A 92 ASP HB2 1.0 2.0 4.0 2369 2261 A 92 ASP H A 93 SER HB3 1.0 3.6 6.2 2370 2262 A 92 ASP H A 93 SER HB2 1.0 3.6 6.2 2371 2263 A 92 ASP H A 93 SER H 1.0 2.4 4.1 2372 2264 A 92 ASP H A 94 ALA HB% 1.0 3.9 7.8 2373 2265 A 92 ASP H A 94 ALA H 1.0 2.9 4.9 2374 2266 A 93 SER HA A 94 ALA H 1.0 2.4 4.1 2375 2267 A 95 LEU H A 93 SER HA 1.0 2.9 5.0 2376 2268 A 93 SER HA A 96 LYS H 1.0 2.4 4.2 2377 2269 A 93 SER HA A 97 GLN H 1.0 2.5 4.3 2378 2270 A 97 GLN HE21 A 93 SER HB3 1.0 3.4 8.7 2379 2270 A 93 SER HB2 A 97 GLN HE21 1.0 3.4 8.7 2380 2271 A 97 GLN HE22 A 93 SER HB3 1.0 3.4 8.7 2381 2271 A 93 SER HB2 A 97 GLN HE22 1.0 3.4 8.7 2382 2272 A 94 ALA H A 93 SER HB3 1.0 2.2 4.0 2383 2273 A 96 LYS H A 93 SER HB3 1.0 2.9 5.2 2384 2274 A 94 ALA H A 93 SER HB2 1.0 2.2 4.0 2385 2275 A 96 LYS H A 93 SER HB2 1.0 2.9 5.2 2386 2276 A 93 SER H A 93 SER HA 1.0 2.0 3.4 2387 2277 A 93 SER H A 93 SER HB3 1.0 2.0 3.5 2388 2278 A 93 SER H A 93 SER HB2 1.0 2.0 3.5 2389 2279 A 93 SER H A 94 ALA H 1.0 2.0 3.5 2390 2280 A 93 SER H A 95 LEU HB3 1.0 2.9 7.8 2391 2281 A 93 SER H A 95 LEU HB2 1.0 2.9 7.8 2392 2282 A 93 SER H A 96 LYS HB3 1.0 2.1 7.0 2393 2283 A 93 SER H A 96 LYS HB2 1.0 2.1 7.0 2394 2284 A 93 SER H A 97 GLN HE21 1.0 3.5 7.8 2395 2285 A 93 SER H A 97 GLN HE22 1.0 3.5 7.8 2396 2286 A 95 LEU H A 94 ALA HA 1.0 2.3 4.0 2397 2287 A 96 LYS H A 94 ALA HA 1.0 3.3 5.6 2398 2288 A 97 GLN H A 94 ALA HA 1.0 2.2 3.8 2399 2289 A 94 ALA HA A 98 LEU H 1.0 2.5 4.3 2400 2290 A 95 LEU H A 94 ALA HB% 1.0 2.3 4.6 2401 2291 A 94 ALA H A 94 ALA HA 1.0 1.9 3.2 2402 2292 A 94 ALA HB% A 94 ALA H 1.0 2.0 4.1 2403 2293 A 95 LEU HD2% A 94 ALA H 1.0 3.2 6.4 2404 2294 A 95 LEU H A 94 ALA H 1.0 2.1 3.6 2405 2295 A 96 LYS H A 94 ALA H 1.0 2.9 4.9 2406 2296 A 96 LYS H A 95 LEU HA 1.0 2.4 4.2 2407 2297 A 95 LEU HA A 98 LEU H 1.0 2.2 3.8 2408 2298 A 95 LEU HA A 99 ILE H 1.0 2.7 4.7 2409 2299 A 95 LEU HB3 A 96 LYS H 1.0 2.4 6.1 2410 2300 A 95 LEU HB2 A 96 LYS H 1.0 2.4 6.1 2411 2301 A 95 LEU HD1% A 95 LEU HA 1.0 2.0 4.1 2412 2302 A 95 LEU HD1% A 95 LEU HB3 1.0 2.4 9.2 2413 2303 A 95 LEU HD1% A 95 LEU HB2 1.0 2.4 6.7 2414 2304 A 95 LEU HD1% A 95 LEU HB2 1.0 2.4 9.2 2415 2305 A 95 LEU HD1% A 95 LEU HD2% 1.0 2.0 4.5 2416 2306 A 95 LEU HD1% A 95 LEU HG 1.0 2.0 3.9 2417 2307 A 95 LEU HD1% A 96 LYS H 1.0 3.1 6.3 2418 2308 A 95 LEU HD1% A 98 LEU HA 1.0 3.4 6.7 2419 2309 A 95 LEU HD1% A 98 LEU H 1.0 2.7 5.3 2420 2310 A 95 LEU HB3 A 95 LEU HD2% 1.0 2.4 9.2 2421 2311 A 95 LEU HD2% A 95 LEU HG 1.0 1.9 3.8 2422 2312 A 95 LEU HD2% A 96 LYS H 1.0 3.0 6.0 2423 2313 A 95 LEU HG A 96 LYS H 1.0 2.8 4.8 2424 2314 A 95 LEU HG A 99 ILE HG2% 1.0 2.4 4.8 2425 2315 A 95 LEU H A 95 LEU HA 1.0 2.2 3.7 2426 2316 A 95 LEU H A 95 LEU HB3 1.0 1.6 5.6 2427 2317 A 95 LEU H A 95 LEU HB2 1.0 1.6 5.6 2428 2318 A 95 LEU H A 95 LEU HD1% 1.0 2.7 5.3 2429 2319 A 95 LEU H A 95 LEU HD2% 1.0 2.4 4.8 2430 2320 A 95 LEU H A 95 LEU HG 1.0 2.7 4.6 2431 2321 A 95 LEU H A 96 LYS H 1.0 2.2 3.7 2432 2322 A 95 LEU H A 97 GLN H 1.0 2.7 4.7 2433 2323 A 96 LYS HA A 97 GLN H 1.0 2.7 4.6 2434 2324 A 96 LYS HA A 99 ILE HG2% 1.0 2.2 4.5 2435 2325 A 96 LYS HA A 99 ILE H 1.0 2.5 4.3 2436 2326 A 96 LYS HA A 100 GLU H 1.0 2.5 4.3 2437 2327 A 100 GLU H A 96 LYS HD3 1.0 2.4 6.0 2438 2328 A 100 GLU H A 96 LYS HD2 1.0 2.4 6.0 2439 2329 A 96 LYS HA A 96 LYS H 1.0 2.1 3.6 2440 2330 A 96 LYS H A 96 LYS HB3 1.0 1.9 3.4 2441 2331 A 96 LYS H A 96 LYS HB2 1.0 1.9 3.4 2442 2332 A 96 LYS H A 96 LYS HD3 1.0 2.2 5.6 2443 2333 A 96 LYS H A 96 LYS HD2 1.0 2.2 5.6 2444 2334 A 96 LYS H A 96 LYS HEx 1.0 3.4 6.2 2445 2334 A 96 LYS H A 96 LYS HEy 1.0 3.4 6.2 2446 2335 A 96 LYS H A 96 LYS HG3 1.0 2.8 5.2 2447 2336 A 96 LYS H A 96 LYS HG2 1.0 2.8 5.2 2448 2337 A 96 LYS H A 97 GLN HG3 1.0 3.3 7.4 2449 2338 A 96 LYS H A 97 GLN HG2 1.0 3.3 7.4 2450 2339 A 96 LYS H A 97 GLN H 1.0 2.2 3.7 2451 2340 A 96 LYS H A 98 LEU H 1.0 3.1 5.4 2452 2341 A 96 LYS H A 99 ILE HG2% 1.0 3.6 7.1 2453 2342 A 97 GLN HA A 97 GLN HBx 1.0 1.7 3.1 2454 2342 A 97 GLN HA A 97 GLN HBy 1.0 1.7 3.1 2455 2343 A 97 GLN HG3 A 97 GLN HA 1.0 1.9 5.2 2456 2344 A 97 GLN HG2 A 97 GLN HA 1.0 1.9 5.2 2457 2345 A 99 ILE H A 97 GLN HA 1.0 3.5 6.0 2458 2346 A 97 GLN HA A 100 GLU HBx 1.0 1.9 3.5 2459 2346 A 100 GLU HBy A 97 GLN HA 1.0 1.9 3.5 2460 2347 A 100 GLU HG3 A 97 GLN HA 1.0 2.8 6.6 2461 2348 A 100 GLU HG2 A 97 GLN HA 1.0 2.8 6.6 2462 2349 A 100 GLU H A 97 GLN HA 1.0 2.3 4.0 2463 2350 A 97 GLN HA A 101 LYS H 1.0 2.8 4.8 2464 2351 A 97 GLN HE21 A 97 GLN HBx 1.0 3.5 8.8 2465 2351 A 97 GLN HE21 A 97 GLN HBy 1.0 3.5 8.8 2466 2352 A 97 GLN HE21 A 97 GLN HE22 1.0 1.5 2.6 2467 2353 A 97 GLN HE21 A 97 GLN HG3 1.0 2.1 4.8 2468 2354 A 97 GLN HE21 A 97 GLN HG2 1.0 2.1 4.8 2469 2355 A 97 GLN HE21 A 98 LEU H 1.0 2.9 6.8 2470 2356 A 97 GLN HE22 A 97 GLN HBx 1.0 3.5 8.8 2471 2356 A 97 GLN HE22 A 97 GLN HBy 1.0 3.5 8.8 2472 2357 A 97 GLN HE22 A 97 GLN HG3 1.0 2.1 4.8 2473 2358 A 97 GLN HE22 A 97 GLN HG2 1.0 2.1 4.8 2474 2359 A 97 GLN HE22 A 98 LEU H 1.0 2.9 6.8 2475 2360 A 98 LEU H A 97 GLN HG3 1.0 2.7 5.3 2476 2361 A 98 LEU H A 97 GLN HG2 1.0 2.7 5.3 2477 2362 A 97 GLN H A 97 GLN HA 1.0 2.0 3.4 2478 2363 A 97 GLN H A 97 GLN HBx 1.0 1.8 3.4 2479 2363 A 97 GLN H A 97 GLN HBy 1.0 1.8 3.4 2480 2364 A 97 GLN H A 97 GLN HE21 1.0 2.9 6.8 2481 2365 A 97 GLN H A 97 GLN HE22 1.0 2.9 6.8 2482 2366 A 97 GLN H A 97 GLN HG3 1.0 2.2 4.2 2483 2367 A 97 GLN H A 97 GLN HG2 1.0 2.2 4.2 2484 2368 A 98 LEU HA A 99 ILE H 1.0 2.3 4.0 2485 2369 A 100 GLU H A 98 LEU HA 1.0 3.0 5.2 2486 2370 A 98 LEU HA A 101 LYS HEx 1.0 3.3 6.1 2487 2370 A 98 LEU HA A 101 LYS HEy 1.0 3.3 6.1 2488 2371 A 98 LEU HA A 101 LYS HG3 1.0 3.0 7.4 2489 2372 A 98 LEU HA A 101 LYS HG2 1.0 3.0 7.4 2490 2373 A 98 LEU HA A 101 LYS H 1.0 2.3 4.0 2491 2374 A 102 TYR HE% A 98 LEU HA 1.0 2.5 5.8 2492 2375 A 102 TYR H A 98 LEU HA 1.0 3.2 5.5 2493 2376 A 98 LEU HD1% A 98 LEU HA 1.0 2.0 4.5 2494 2377 A 98 LEU HD1% A 98 LEU HB3 1.0 1.9 4.8 2495 2378 A 98 LEU HD1% A 98 LEU HB2 1.0 1.9 4.8 2496 2379 A 98 LEU HD1% A 98 LEU HG 1.0 1.9 3.9 2497 2380 A 99 ILE HA A 98 LEU HD1% 1.0 3.1 8.7 2498 2381 A 98 LEU HD1% A 99 ILE H 1.0 2.4 5.6 2499 2382 A 98 LEU HD1% A 102 TYR HD% 1.0 2.3 7.8 2500 2383 A 102 TYR HE% A 98 LEU HD1% 1.0 2.0 7.0 2501 2384 A 98 LEU HD2% A 98 LEU HA 1.0 2.0 4.5 2502 2385 A 98 LEU HD2% A 98 LEU HB3 1.0 1.9 4.8 2503 2386 A 98 LEU HD2% A 98 LEU HB2 1.0 1.9 4.8 2504 2387 A 98 LEU HD2% A 98 LEU HG 1.0 1.9 3.9 2505 2388 A 99 ILE HA A 98 LEU HD2% 1.0 3.1 8.7 2506 2389 A 98 LEU HD2% A 99 ILE H 1.0 2.4 5.6 2507 2390 A 98 LEU HD2% A 102 TYR HD% 1.0 2.3 7.8 2508 2391 A 102 TYR HE% A 98 LEU HD2% 1.0 2.0 7.0 2509 2392 A 99 ILE H A 98 LEU HG 1.0 2.2 3.8 2510 2393 A 98 LEU HA A 98 LEU H 1.0 1.9 3.2 2511 2394 A 98 LEU HD1% A 98 LEU H 1.0 2.4 5.2 2512 2395 A 98 LEU HD2% A 98 LEU H 1.0 2.4 5.2 2513 2396 A 98 LEU H A 98 LEU HG 1.0 2.4 4.2 2514 2397 A 99 ILE HA A 98 LEU H 1.0 3.7 6.4 2515 2398 A 99 ILE HG13 A 98 LEU H 1.0 1.7 7.1 2516 2399 A 99 ILE HG12 A 98 LEU H 1.0 1.7 7.1 2517 2400 A 99 ILE HG2% A 98 LEU H 1.0 3.0 6.0 2518 2401 A 98 LEU H A 99 ILE H 1.0 2.2 3.7 2519 2402 A 100 GLU H A 98 LEU H 1.0 2.6 4.4 2520 2403 A 100 GLU HA A 99 ILE HA 1.0 2.8 4.8 2521 2404 A 100 GLU H A 99 ILE HA 1.0 2.4 4.2 2522 2405 A 99 ILE HA A 101 LYS H 1.0 2.7 4.7 2523 2406 A 102 TYR HE% A 99 ILE HA 1.0 2.3 5.3 2524 2407 A 104 ALA H A 99 ILE HA 1.0 2.8 4.8 2525 2408 A 100 GLU H A 99 ILE HB 1.0 2.3 4.0 2526 2409 A 99 ILE HD1% A 99 ILE HA 1.0 2.2 4.3 2527 2410 A 99 ILE HD1% A 100 GLU HA 1.0 2.7 5.5 2528 2411 A 99 ILE HD1% A 100 GLU HG3 1.0 2.3 10.6 2529 2412 A 99 ILE HD1% A 100 GLU HG2 1.0 2.3 10.6 2530 2413 A 99 ILE HD1% A 100 GLU H 1.0 2.7 5.3 2531 2414 A 99 ILE HD1% A 101 LYS H 1.0 3.8 7.7 2532 2415 A 99 ILE HD1% A 103 ALA H 1.0 3.3 6.6 2533 2416 A 99 ILE HD1% A 104 ALA H 1.0 3.8 7.7 2534 2417 A 99 ILE HG13 A 100 GLU H 1.0 2.8 6.1 2535 2418 A 99 ILE HG12 A 100 GLU H 1.0 2.8 6.1 2536 2419 A 99 ILE HG2% A 99 ILE HA 1.0 2.5 5.0 2537 2420 A 99 ILE HG2% A 99 ILE HB 1.0 2.1 4.2 2538 2421 A 99 ILE HG13 A 99 ILE HG2% 1.0 2.0 5.9 2539 2422 A 99 ILE HG12 A 99 ILE HG2% 1.0 2.0 5.9 2540 2423 A 99 ILE HG2% A 100 GLU H 1.0 3.0 6.0 2541 2424 A 99 ILE HA A 99 ILE H 1.0 2.2 3.8 2542 2425 A 99 ILE H A 99 ILE HB 1.0 2.1 3.6 2543 2426 A 99 ILE HD1% A 99 ILE H 1.0 2.4 4.9 2544 2427 A 99 ILE HG13 A 99 ILE H 1.0 2.0 5.4 2545 2428 A 99 ILE HG12 A 99 ILE H 1.0 2.0 5.4 2546 2429 A 99 ILE HG2% A 99 ILE H 1.0 2.4 4.9 2547 2430 A 100 GLU HA A 99 ILE H 1.0 3.2 5.5 2548 2431 A 99 ILE H A 100 GLU HBx 1.0 2.5 4.7 2549 2431 A 100 GLU HBy A 99 ILE H 1.0 2.5 4.7 2550 2432 A 100 GLU HG3 A 99 ILE H 1.0 2.1 6.0 2551 2433 A 100 GLU HG2 A 99 ILE H 1.0 2.1 6.0 2552 2434 A 100 GLU H A 99 ILE H 1.0 2.2 3.8 2553 2435 A 99 ILE H A 101 LYS H 1.0 3.0 5.2 2554 2436 A 100 GLU HA A 100 GLU HBx 1.0 1.8 3.4 2555 2436 A 100 GLU HA A 100 GLU HBy 1.0 1.8 3.4 2556 2437 A 100 GLU HG3 A 100 GLU HA 1.0 1.9 3.6 2557 2438 A 100 GLU HG2 A 100 GLU HA 1.0 1.9 3.6 2558 2439 A 100 GLU HA A 101 LYS H 1.0 2.3 4.0 2559 2440 A 100 GLU HA A 102 TYR H 1.0 2.7 4.6 2560 2441 A 103 ALA HB% A 100 GLU HA 1.0 2.4 4.8 2561 2442 A 103 ALA H A 100 GLU HA 1.0 2.2 3.8 2562 2443 A 104 ALA HA A 100 GLU HA 1.0 2.2 3.8 2563 2444 A 104 ALA H A 100 GLU HA 1.0 2.1 3.6 2564 2445 A 101 LYS H A 100 GLU HBx 1.0 2.2 4.0 2565 2445 A 100 GLU HBy A 101 LYS H 1.0 2.2 4.0 2566 2446 A 104 ALA H A 100 GLU HBx 1.0 2.5 4.7 2567 2446 A 104 ALA H A 100 GLU HBy 1.0 2.5 4.7 2568 2447 A 100 GLU HG3 A 101 LYS H 1.0 2.9 5.0 2569 2448 A 100 GLU HG3 A 104 ALA H 1.0 3.1 5.3 2570 2449 A 100 GLU HG2 A 101 LYS H 1.0 2.9 5.0 2571 2450 A 100 GLU HG2 A 104 ALA H 1.0 3.1 5.3 2572 2451 A 100 GLU HA A 100 GLU H 1.0 2.1 3.6 2573 2452 A 100 GLU H A 100 GLU HBx 1.0 2.0 3.6 2574 2452 A 100 GLU HBy A 100 GLU H 1.0 2.0 3.6 2575 2453 A 100 GLU HG3 A 100 GLU H 1.0 2.1 3.7 2576 2454 A 100 GLU HG2 A 100 GLU H 1.0 2.1 3.7 2577 2455 A 100 GLU H A 101 LYS HB3 1.0 2.7 6.5 2578 2456 A 100 GLU H A 101 LYS HB2 1.0 2.7 6.5 2579 2457 A 100 GLU H A 101 LYS H 1.0 2.4 4.1 2580 2458 A 100 GLU H A 102 TYR H 1.0 3.4 5.8 2581 2459 A 103 ALA H A 100 GLU H 1.0 2.8 4.8 2582 2460 A 104 ALA H A 100 GLU H 1.0 2.9 4.9 2583 2461 A 102 TYR H A 101 LYS HA 1.0 2.6 4.4 2584 2462 A 103 ALA H A 101 LYS HA 1.0 2.8 4.8 2585 2463 A 104 ALA H A 101 LYS HA 1.0 2.5 4.3 2586 2464 A 102 TYR HD% A 101 LYS HB3 1.0 1.8 5.5 2587 2465 A 103 ALA H A 101 LYS HB3 1.0 2.6 4.7 2588 2466 A 104 ALA H A 101 LYS HB3 1.0 2.6 6.2 2589 2467 A 102 TYR HD% A 101 LYS HB2 1.0 1.8 5.5 2590 2468 A 103 ALA H A 101 LYS HB2 1.0 2.6 4.7 2591 2469 A 104 ALA H A 101 LYS HB2 1.0 2.6 6.2 2592 2470 A 102 TYR HE% A 101 LYS HD3 1.0 2.3 4.8 2593 2471 A 102 TYR HE% A 101 LYS HD2 1.0 2.3 4.8 2594 2472 A 101 LYS HA A 101 LYS HEx 1.0 2.8 5.2 2595 2472 A 101 LYS HEy A 101 LYS HA 1.0 2.8 5.2 2596 2473 A 101 LYS HG3 A 101 LYS HEx 1.0 2.1 4.2 2597 2473 A 101 LYS HEy A 101 LYS HG3 1.0 2.1 4.2 2598 2474 A 101 LYS HG2 A 101 LYS HEx 1.0 2.1 4.2 2599 2474 A 101 LYS HEy A 101 LYS HG2 1.0 2.1 4.2 2600 2475 A 102 TYR HE% A 101 LYS HEx 1.0 2.4 6.0 2601 2475 A 102 TYR HE% A 101 LYS HEy 1.0 2.4 6.0 2602 2476 A 101 LYS HG3 A 101 LYS HA 1.0 2.0 3.6 2603 2477 A 101 LYS HG3 A 101 LYS HB3 1.0 2.0 4.0 2604 2478 A 101 LYS HG3 A 101 LYS HB2 1.0 2.0 4.0 2605 2479 A 101 LYS HG3 A 101 LYS HD3 1.0 2.0 3.7 2606 2480 A 101 LYS HG3 A 101 LYS HD2 1.0 2.0 3.7 2607 2481 A 101 LYS H A 101 LYS HG3 1.0 2.7 4.6 2608 2482 A 102 TYR HA A 101 LYS HG3 1.0 1.4 7.0 2609 2483 A 102 TYR HD% A 101 LYS HG3 1.0 3.1 8.4 2610 2484 A 102 TYR HE% A 101 LYS HG3 1.0 2.9 5.9 2611 2485 A 102 TYR H A 101 LYS HG3 1.0 3.1 7.7 2612 2486 A 101 LYS HG2 A 101 LYS HA 1.0 2.0 3.6 2613 2487 A 101 LYS HG2 A 101 LYS HB3 1.0 2.0 4.0 2614 2488 A 101 LYS HG2 A 101 LYS HB2 1.0 2.0 4.0 2615 2489 A 101 LYS HG2 A 101 LYS HD3 1.0 2.0 3.7 2616 2490 A 101 LYS HG2 A 101 LYS HD2 1.0 2.0 3.7 2617 2491 A 101 LYS HG3 A 101 LYS HG2 1.0 1.6 2.8 2618 2492 A 101 LYS H A 101 LYS HG2 1.0 2.7 4.6 2619 2493 A 102 TYR HA A 101 LYS HG2 1.0 1.4 7.0 2620 2494 A 102 TYR HD% A 101 LYS HG2 1.0 3.1 8.4 2621 2495 A 102 TYR HE% A 101 LYS HG2 1.0 2.9 5.9 2622 2496 A 102 TYR H A 101 LYS HG2 1.0 3.1 7.7 2623 2497 A 101 LYS H A 101 LYS HA 1.0 2.0 3.5 2624 2498 A 101 LYS H A 101 LYS HB3 1.0 2.0 3.6 2625 2499 A 101 LYS H A 101 LYS HB2 1.0 2.0 3.6 2626 2500 A 101 LYS H A 101 LYS HD3 1.0 2.9 6.7 2627 2501 A 101 LYS H A 101 LYS HD2 1.0 2.9 6.7 2628 2502 A 101 LYS H A 101 LYS HEx 1.0 2.7 5.1 2629 2502 A 101 LYS H A 101 LYS HEy 1.0 2.7 5.1 2630 2503 A 102 TYR HD% A 101 LYS H 1.0 2.2 5.1 2631 2504 A 102 TYR HE% A 101 LYS H 1.0 3.0 6.9 2632 2505 A 102 TYR H A 101 LYS H 1.0 2.2 3.7 2633 2506 A 103 ALA H A 101 LYS H 1.0 2.2 3.7 2634 2507 A 103 ALA H A 102 TYR HA 1.0 2.3 4.0 2635 2508 A 104 ALA H A 102 TYR HA 1.0 2.7 4.7 2636 2509 A 103 ALA H A 102 TYR HB3 1.0 2.4 4.3 2637 2510 A 104 ALA H A 102 TYR HB3 1.0 2.9 6.8 2638 2511 A 103 ALA H A 102 TYR HB2 1.0 2.4 4.3 2639 2512 A 104 ALA H A 102 TYR HB2 1.0 2.9 6.8 2640 2513 A 102 TYR HB3 A 102 TYR HD% 1.0 1.8 3.6 2641 2514 A 102 TYR HB2 A 102 TYR HD% 1.0 1.8 3.6 2642 2515 A 102 TYR HE% A 102 TYR HD% 1.0 1.6 4.6 2643 2516 A 103 ALA HB% A 102 TYR HD% 1.0 2.2 5.8 2644 2517 A 103 ALA H A 102 TYR HD% 1.0 2.4 5.4 2645 2518 A 104 ALA H A 102 TYR HD% 1.0 2.9 6.7 2646 2519 A 102 TYR HE% A 102 TYR HA 1.0 2.3 5.3 2647 2520 A 102 TYR HE% A 103 ALA H 1.0 3.1 7.2 2648 2521 A 102 TYR HA A 102 TYR H 1.0 2.0 3.5 2649 2522 A 102 TYR HB3 A 102 TYR H 1.0 2.1 4.1 2650 2523 A 102 TYR HB2 A 102 TYR H 1.0 2.1 4.1 2651 2524 A 102 TYR HD% A 102 TYR H 1.0 1.9 4.3 2652 2525 A 102 TYR HE% A 102 TYR H 1.0 2.6 5.9 2653 2526 A 102 TYR H A 103 ALA HA 1.0 2.8 4.8 2654 2527 A 103 ALA HB% A 102 TYR H 1.0 2.4 4.9 2655 2528 A 103 ALA H A 102 TYR H 1.0 2.0 3.4 2656 2529 A 104 ALA H A 102 TYR H 1.0 2.2 3.7 2657 2530 A 103 ALA HB% A 103 ALA HA 1.0 1.9 3.8 2658 2531 A 104 ALA H A 103 ALA HA 1.0 2.1 3.6 2659 2532 A 103 ALA HB% A 104 ALA H 1.0 2.4 4.9 2660 2533 A 103 ALA H A 103 ALA HA 1.0 2.0 3.5 2661 2534 A 103 ALA HB% A 103 ALA H 1.0 2.3 4.6 2662 2535 A 103 ALA H A 104 ALA HA 1.0 2.7 4.7 2663 2536 A 103 ALA H A 104 ALA HB% 1.0 2.7 5.5 2664 2537 A 104 ALA H A 103 ALA H 1.0 1.9 3.2 2665 2538 A 104 ALA H A 104 ALA HA 1.0 2.0 3.5 2666 2539 A 104 ALA H A 104 ALA HB% 1.0 2.1 4.2 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 undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 SER HA A 44 SER HB3 1.0 5.0 35.0 2 2 A 1 SER HA A 44 SER HB2 1.0 5.0 35.0 3 3 A 1 SER HA A 44 SER HG 1.0 5.0 35.0 4 4 A 1 SER HA A 45 LYS HEx 1.0 5.0 35.0 5 4 A 1 SER HA A 45 LYS HEy 1.0 5.0 35.0 6 5 A 1 SER HA A 51 VAL HA 1.0 5.0 35.0 7 6 A 1 SER HA A 52 PHE HB3 1.0 5.0 35.0 8 7 A 1 SER HA A 52 PHE HB2 1.0 5.0 35.0 9 8 A 1 SER HA A 52 PHE HD% 1.0 5.0 35.0 10 9 A 2 VAL HA A 1 SER HBx 1.0 5.0 35.0 11 9 A 1 SER HBy A 2 VAL HA 1.0 5.0 35.0 12 10 A 3 LYS H A 1 SER HBx 1.0 5.0 35.0 13 10 A 1 SER HBy A 3 LYS H 1.0 5.0 35.0 14 11 A 44 SER HG A 1 SER HBx 1.0 5.0 35.0 15 11 A 1 SER HBy A 44 SER HG 1.0 5.0 35.0 16 12 A 45 LYS HG3 A 1 SER HBx 1.0 5.0 35.0 17 12 A 1 SER HBy A 45 LYS HG3 1.0 5.0 35.0 18 13 A 45 LYS HG2 A 1 SER HBx 1.0 5.0 35.0 19 13 A 1 SER HBy A 45 LYS HG2 1.0 5.0 35.0 20 14 A 47 TYR HE% A 1 SER HBx 1.0 5.0 35.0 21 14 A 1 SER HBy A 47 TYR HE% 1.0 5.0 35.0 22 15 A 52 PHE H A 1 SER HBx 1.0 5.0 35.0 23 15 A 1 SER HBy A 52 PHE H 1.0 5.0 35.0 24 16 A 2 VAL HA A 40 TYR HE% 1.0 5.0 35.0 25 17 A 2 VAL HA A 40 TYR HE% 1.0 5.0 35.0 26 18 A 2 VAL HA A 52 PHE HA 1.0 5.0 35.0 27 19 A 3 LYS HA A 2 VAL HB 1.0 5.0 35.0 28 20 A 2 VAL HB A 44 SER HB3 1.0 5.0 35.0 29 21 A 2 VAL HB A 44 SER HB2 1.0 5.0 35.0 30 22 A 2 VAL HB A 44 SER HG 1.0 5.0 35.0 31 23 A 2 VAL H A 44 SER HG 1.0 5.0 35.0 32 24 A 2 VAL H A 47 TYR HE% 1.0 5.0 35.0 33 25 A 2 VAL H A 52 PHE HA 1.0 5.0 35.0 34 26 A 2 VAL H A 52 PHE HD% 1.0 5.0 35.0 35 27 A 2 VAL H A 52 PHE HD% 1.0 5.0 35.0 36 28 A 2 VAL H A 52 PHE H 1.0 5.0 35.0 37 29 A 2 VAL H A 54 LYS HE2 1.0 5.0 35.0 38 29 A 2 VAL H A 54 LYS HE3 1.0 5.0 35.0 39 30 A 3 LYS HB3 A 52 PHE H 1.0 5.0 35.0 40 31 A 3 LYS HB2 A 52 PHE H 1.0 5.0 35.0 41 32 A 53 ILE HA A 3 LYS HDx 1.0 5.0 35.0 42 32 A 53 ILE HA A 3 LYS HDy 1.0 5.0 35.0 43 33 A 4 ILE HA A 3 LYS HE2 1.0 5.0 35.0 44 33 A 3 LYS HE3 A 4 ILE HA 1.0 5.0 35.0 45 34 A 5 VAL HB A 3 LYS HE2 1.0 5.0 35.0 46 34 A 3 LYS HE3 A 5 VAL HB 1.0 5.0 35.0 47 35 A 5 VAL H A 3 LYS HE2 1.0 5.0 35.0 48 35 A 3 LYS HE3 A 5 VAL H 1.0 5.0 35.0 49 36 A 53 ILE HA A 3 LYS HE2 1.0 5.0 35.0 50 36 A 53 ILE HA A 3 LYS HE3 1.0 5.0 35.0 51 37 A 3 LYS H A 52 PHE HA 1.0 5.0 35.0 52 38 A 3 LYS H A 52 PHE H 1.0 5.0 35.0 53 39 A 3 LYS H A 53 ILE HG13 1.0 5.0 35.0 54 40 A 3 LYS H A 53 ILE HG12 1.0 5.0 35.0 55 41 A 3 LYS H A 54 LYS HG3 1.0 5.0 35.0 56 42 A 3 LYS H A 54 LYS HG2 1.0 5.0 35.0 57 43 A 4 ILE HA A 26 PHE HZ 1.0 5.0 35.0 58 44 A 4 ILE H A 54 LYS HG3 1.0 5.0 35.0 59 45 A 4 ILE H A 54 LYS HG2 1.0 5.0 35.0 60 46 A 5 VAL HB A 11 PHE HB3 1.0 5.0 35.0 61 47 A 5 VAL HB A 11 PHE HB2 1.0 5.0 35.0 62 48 A 5 VAL HG1% A 7 SER HA 1.0 5.0 35.0 63 49 A 5 VAL HG2% A 7 SER HA 1.0 5.0 35.0 64 50 A 5 VAL H A 11 PHE HB3 1.0 5.0 35.0 65 51 A 5 VAL H A 11 PHE HB2 1.0 5.0 35.0 66 52 A 5 VAL H A 54 LYS HA 1.0 5.0 35.0 67 53 A 6 THR HA A 11 PHE HB3 1.0 5.0 35.0 68 54 A 6 THR HA A 11 PHE HB2 1.0 5.0 35.0 69 55 A 6 THR HA A 56 ASP H 1.0 5.0 35.0 70 56 A 6 THR HB A 7 SER HB3 1.0 5.0 35.0 71 57 A 6 THR HB A 7 SER HB2 1.0 5.0 35.0 72 58 A 6 THR H A 11 PHE HB3 1.0 5.0 35.0 73 59 A 6 THR H A 11 PHE HB2 1.0 5.0 35.0 74 60 A 7 SER H A 8 GLN HA 1.0 5.0 35.0 75 61 A 8 GLN HA A 67 GLU HGx 1.0 5.0 35.0 76 61 A 8 GLN HA A 67 GLU HGy 1.0 5.0 35.0 77 62 A 8 GLN H A 63 VAL HB 1.0 5.0 35.0 78 63 A 8 GLN H A 63 VAL H 1.0 5.0 35.0 79 64 A 9 SER HA A 66 LYS HDx 1.0 5.0 35.0 80 64 A 9 SER HA A 66 LYS HDy 1.0 5.0 35.0 81 65 A 9 SER H A 66 LYS HEx 1.0 5.0 35.0 82 65 A 9 SER H A 66 LYS HEy 1.0 5.0 35.0 83 66 A 9 SER H A 66 LYS HGx 1.0 5.0 35.0 84 66 A 9 SER H A 66 LYS HGy 1.0 5.0 35.0 85 67 A 11 PHE HB3 A 53 ILE HG13 1.0 5.0 35.0 86 68 A 11 PHE HB3 A 53 ILE HG12 1.0 5.0 35.0 87 69 A 55 VAL HA A 11 PHE HB3 1.0 5.0 35.0 88 70 A 11 PHE HB2 A 53 ILE HG13 1.0 5.0 35.0 89 71 A 11 PHE HB2 A 53 ILE HG12 1.0 5.0 35.0 90 72 A 55 VAL HA A 11 PHE HB2 1.0 5.0 35.0 91 73 A 11 PHE HD% A 12 ASP HB3 1.0 5.0 35.0 92 74 A 11 PHE HD% A 12 ASP HB2 1.0 5.0 35.0 93 75 A 11 PHE HE% A 12 ASP HB3 1.0 5.0 35.0 94 76 A 11 PHE HE% A 12 ASP HB2 1.0 5.0 35.0 95 77 A 12 ASP HB3 A 11 PHE HZ 1.0 5.0 35.0 96 78 A 12 ASP HB2 A 11 PHE HZ 1.0 5.0 35.0 97 79 A 12 ASP HB3 A 66 LYS HDx 1.0 5.0 35.0 98 79 A 12 ASP HB3 A 66 LYS HDy 1.0 5.0 35.0 99 80 A 12 ASP HB3 A 66 LYS HEx 1.0 5.0 35.0 100 80 A 66 LYS HEy A 12 ASP HB3 1.0 5.0 35.0 101 81 A 12 ASP HB3 A 66 LYS HGx 1.0 5.0 35.0 102 81 A 66 LYS HGy A 12 ASP HB3 1.0 5.0 35.0 103 82 A 12 ASP HB2 A 66 LYS HDx 1.0 5.0 35.0 104 82 A 12 ASP HB2 A 66 LYS HDy 1.0 5.0 35.0 105 83 A 12 ASP HB2 A 66 LYS HEx 1.0 5.0 35.0 106 83 A 66 LYS HEy A 12 ASP HB2 1.0 5.0 35.0 107 84 A 12 ASP HB2 A 66 LYS HGx 1.0 5.0 35.0 108 84 A 66 LYS HGy A 12 ASP HB2 1.0 5.0 35.0 109 85 A 17 GLN HE21 A 14 ILE HA 1.0 5.0 35.0 110 86 A 17 GLN HE22 A 14 ILE HA 1.0 5.0 35.0 111 87 A 14 ILE HA A 18 ASN H 1.0 5.0 35.0 112 88 A 14 ILE H A 17 GLN HB3 1.0 5.0 35.0 113 89 A 14 ILE H A 17 GLN HB2 1.0 5.0 35.0 114 90 A 14 ILE H A 17 GLN H 1.0 5.0 35.0 115 91 A 15 ILE HA A 18 ASN H 1.0 5.0 35.0 116 92 A 17 GLN H A 15 ILE HB 1.0 5.0 35.0 117 93 A 16 SER H A 17 GLN HE21 1.0 5.0 35.0 118 94 A 16 SER H A 17 GLN HE22 1.0 5.0 35.0 119 95 A 18 ASN H A 80 ASN HA 1.0 5.0 35.0 120 96 A 18 ASN H A 80 ASN H 1.0 5.0 35.0 121 97 A 81 GLY H A 18 ASN H 1.0 5.0 35.0 122 98 A 20 LEU HA A 79 LYS HEx 1.0 5.0 35.0 123 98 A 20 LEU HA A 79 LYS HEy 1.0 5.0 35.0 124 99 A 20 LEU HA A 79 LYS HEx 1.0 5.0 35.0 125 99 A 20 LEU HA A 79 LYS HEy 1.0 5.0 35.0 126 100 A 21 VAL HA A 50 MET HB3 1.0 5.0 35.0 127 101 A 21 VAL HA A 50 MET HB2 1.0 5.0 35.0 128 102 A 21 VAL HA A 52 PHE H 1.0 5.0 35.0 129 103 A 21 VAL H A 51 VAL H 1.0 5.0 35.0 130 104 A 21 VAL H A 51 VAL H 1.0 5.0 35.0 131 105 A 21 VAL H A 79 LYS HEx 1.0 5.0 35.0 132 105 A 21 VAL H A 79 LYS HEy 1.0 5.0 35.0 133 106 A 22 ILE HA A 50 MET HE% 1.0 5.0 35.0 134 107 A 22 ILE HA A 50 MET HE% 1.0 5.0 35.0 135 108 A 22 ILE H A 23 VAL HA 1.0 5.0 35.0 136 109 A 22 ILE H A 50 MET HE% 1.0 5.0 35.0 137 110 A 22 ILE H A 53 ILE HG13 1.0 5.0 35.0 138 111 A 53 ILE HG12 A 22 ILE H 1.0 5.0 35.0 139 112 A 53 ILE HA A 23 VAL HB 1.0 5.0 35.0 140 113 A 23 VAL H A 53 ILE HB 1.0 5.0 35.0 141 114 A 24 ASP H A 25 PHE HA 1.0 5.0 35.0 142 115 A 53 ILE HA A 24 ASP H 1.0 5.0 35.0 143 116 A 75 PHE HA A 24 ASP H 1.0 5.0 35.0 144 117 A 75 PHE HA A 24 ASP H 1.0 5.0 35.0 145 118 A 25 PHE HD% A 67 GLU HGx 1.0 5.0 35.0 146 118 A 67 GLU HGy A 25 PHE HD% 1.0 5.0 35.0 147 119 A 25 PHE H A 73 PRO HB3 1.0 5.0 35.0 148 120 A 25 PHE H A 73 PRO HB2 1.0 5.0 35.0 149 121 A 25 PHE H A 74 THR HA 1.0 5.0 35.0 150 122 A 25 PHE H A 76 LYS HB3 1.0 5.0 35.0 151 123 A 25 PHE H A 76 LYS HB2 1.0 5.0 35.0 152 124 A 25 PHE HZ A 53 ILE HG13 1.0 5.0 35.0 153 125 A 25 PHE HZ A 53 ILE HG12 1.0 5.0 35.0 154 126 A 25 PHE HZ A 69 ILE HD1% 1.0 5.0 35.0 155 127 A 25 PHE HZ A 69 ILE HD1% 1.0 5.0 35.0 156 128 A 26 PHE HA A 30 CYS HB3 1.0 5.0 35.0 157 129 A 26 PHE HA A 30 CYS HB2 1.0 5.0 35.0 158 130 A 26 PHE HA A 32 PRO HB2 1.0 5.0 35.0 159 130 A 26 PHE HA A 32 PRO HB3 1.0 5.0 35.0 160 131 A 26 PHE HA A 72 MET HE% 1.0 5.0 35.0 161 132 A 26 PHE HA A 73 PRO HD3 1.0 5.0 35.0 162 133 A 26 PHE HA A 73 PRO HD2 1.0 5.0 35.0 163 134 A 75 PHE HE% A 26 PHE HA 1.0 5.0 35.0 164 135 A 26 PHE HB3 A 72 MET HE% 1.0 5.0 35.0 165 136 A 74 THR H A 26 PHE HB3 1.0 5.0 35.0 166 137 A 26 PHE HB2 A 72 MET HE% 1.0 5.0 35.0 167 138 A 74 THR H A 26 PHE HB2 1.0 5.0 35.0 168 139 A 26 PHE HD% A 57 VAL HA 1.0 5.0 35.0 169 140 A 26 PHE HE% A 54 LYS HDx 1.0 5.0 35.0 170 140 A 54 LYS HDy A 26 PHE HE% 1.0 5.0 35.0 171 141 A 26 PHE HE% A 57 VAL HA 1.0 5.0 35.0 172 142 A 26 PHE H A 56 ASP HB3 1.0 5.0 35.0 173 143 A 26 PHE H A 56 ASP HB2 1.0 5.0 35.0 174 144 A 26 PHE H A 57 VAL HB 1.0 5.0 35.0 175 145 A 26 PHE H A 72 MET HE% 1.0 5.0 35.0 176 146 A 54 LYS HA A 26 PHE HZ 1.0 5.0 35.0 177 147 A 26 PHE HZ A 56 ASP HA 1.0 5.0 35.0 178 148 A 27 ALA HA A 58 ASP HB3 1.0 5.0 35.0 179 149 A 27 ALA HA A 58 ASP HB2 1.0 5.0 35.0 180 150 A 27 ALA HB% A 58 ASP HB3 1.0 5.0 35.0 181 151 A 27 ALA HB% A 58 ASP HB2 1.0 5.0 35.0 182 152 A 27 ALA H A 28 GLU HA 1.0 5.0 35.0 183 153 A 27 ALA H A 29 TRP HE1 1.0 5.0 35.0 184 154 A 27 ALA H A 29 TRP HE1 1.0 5.0 35.0 185 155 A 27 ALA H A 29 TRP H 1.0 5.0 35.0 186 156 A 27 ALA H A 30 CYS HA 1.0 5.0 35.0 187 157 A 27 ALA H A 30 CYS H 1.0 5.0 35.0 188 158 A 27 ALA H A 72 MET HA 1.0 5.0 35.0 189 159 A 27 ALA H A 72 MET H 1.0 5.0 35.0 190 160 A 27 ALA H A 73 PRO HA 1.0 5.0 35.0 191 161 A 28 GLU HA A 29 TRP HD1 1.0 5.0 35.0 192 162 A 29 TRP HE3 A 28 GLU HBy 1.0 5.0 35.0 193 162 A 28 GLU HBx A 29 TRP HE3 1.0 5.0 35.0 194 163 A 29 TRP H A 28 GLU HGy 1.0 5.0 35.0 195 163 A 28 GLU HGx A 29 TRP H 1.0 5.0 35.0 196 164 A 28 GLU H A 29 TRP HB3 1.0 5.0 35.0 197 165 A 28 GLU H A 29 TRP HB2 1.0 5.0 35.0 198 166 A 28 GLU H A 29 TRP HE1 1.0 5.0 35.0 199 167 A 28 GLU H A 57 VAL H 1.0 5.0 35.0 200 168 A 28 GLU H A 58 ASP HB3 1.0 5.0 35.0 201 169 A 28 GLU H A 58 ASP HB2 1.0 5.0 35.0 202 170 A 28 GLU H A 58 ASP H 1.0 5.0 35.0 203 171 A 29 TRP HA A 58 ASP HB3 1.0 5.0 35.0 204 172 A 29 TRP HA A 58 ASP HB2 1.0 5.0 35.0 205 173 A 29 TRP HD1 A 30 CYS HB3 1.0 5.0 35.0 206 174 A 29 TRP HD1 A 30 CYS HB2 1.0 5.0 35.0 207 175 A 29 TRP HD1 A 58 ASP HB3 1.0 5.0 35.0 208 176 A 29 TRP HD1 A 58 ASP HB2 1.0 5.0 35.0 209 177 A 29 TRP HE1 A 30 CYS HB3 1.0 5.0 35.0 210 178 A 29 TRP HE1 A 30 CYS HB2 1.0 5.0 35.0 211 179 A 29 TRP HE1 A 58 ASP HA 1.0 5.0 35.0 212 180 A 29 TRP HE1 A 58 ASP HB3 1.0 5.0 35.0 213 181 A 29 TRP HE1 A 58 ASP HB2 1.0 5.0 35.0 214 182 A 29 TRP HE1 A 72 MET HB2 1.0 5.0 35.0 215 182 A 72 MET HB3 A 29 TRP HE1 1.0 5.0 35.0 216 183 A 29 TRP HE1 A 72 MET HE% 1.0 5.0 35.0 217 184 A 72 MET HG3 A 29 TRP HE1 1.0 5.0 35.0 218 185 A 72 MET HG2 A 29 TRP HE1 1.0 5.0 35.0 219 186 A 29 TRP HE3 A 32 PRO HG3 1.0 5.0 35.0 220 187 A 29 TRP HE3 A 32 PRO HG2 1.0 5.0 35.0 221 188 A 29 TRP H A 30 CYS HB3 1.0 4.0 36.0 222 189 A 29 TRP H A 30 CYS HB2 1.0 4.0 36.0 223 190 A 30 CYS H A 29 TRP HZ2 1.0 5.0 35.0 224 191 A 30 CYS H A 29 TRP HZ2 1.0 5.0 35.0 225 192 A 29 TRP HZ2 A 72 MET HA 1.0 5.0 35.0 226 193 A 29 TRP HZ3 A 72 MET HE% 1.0 5.0 35.0 227 194 A 35 ARG HA A 39 PHE HD% 1.0 5.0 35.0 228 195 A 39 PHE HD% A 35 ARG HD2 1.0 5.0 35.0 229 195 A 35 ARG HD3 A 39 PHE HD% 1.0 5.0 35.0 230 196 A 75 PHE HD% A 36 ILE HA 1.0 5.0 35.0 231 197 A 36 ILE HA A 92 ASP H 1.0 5.0 35.0 232 198 A 36 ILE HB A 92 ASP H 1.0 5.0 35.0 233 199 A 40 TYR HD% A 36 ILE HG2% 1.0 5.0 35.0 234 200 A 37 ALA HA A 38 PRO HA 1.0 5.0 35.0 235 201 A 39 PHE HD% A 37 ALA HA 1.0 5.0 35.0 236 202 A 39 PHE HB3 A 92 ASP H 1.0 5.0 35.0 237 203 A 39 PHE HB2 A 92 ASP H 1.0 5.0 35.0 238 204 A 40 TYR HA A 42 GLU HG3 1.0 5.0 35.0 239 205 A 40 TYR HA A 42 GLU HG2 1.0 5.0 35.0 240 206 A 40 TYR HD% A 41 GLU HA 1.0 5.0 35.0 241 207 A 40 TYR HD% A 41 GLU HBx 1.0 5.0 35.0 242 207 A 40 TYR HD% A 41 GLU HBy 1.0 5.0 35.0 243 208 A 40 TYR HD% A 41 GLU H 1.0 5.0 35.0 244 209 A 40 TYR HD% A 43 CYS H 1.0 5.0 35.0 245 210 A 40 TYR HE% A 52 PHE HB3 1.0 5.0 35.0 246 211 A 40 TYR HE% A 52 PHE HB2 1.0 5.0 35.0 247 212 A 41 GLU HA A 43 CYS HB3 1.0 5.0 35.0 248 213 A 41 GLU HA A 43 CYS HB2 1.0 5.0 35.0 249 214 A 42 GLU HA A 46 THR H 1.0 5.0 35.0 250 215 A 42 GLU H A 45 LYS HEx 1.0 5.0 35.0 251 215 A 42 GLU H A 45 LYS HEy 1.0 5.0 35.0 252 216 A 43 CYS HB3 A 45 LYS H 1.0 5.0 35.0 253 217 A 43 CYS HB3 A 46 THR HB 1.0 5.0 35.0 254 218 A 43 CYS HB3 A 46 THR HG2% 1.0 5.0 35.0 255 219 A 52 PHE HD% A 43 CYS HB3 1.0 5.0 35.0 256 220 A 43 CYS HB3 A 103 ALA HB% 1.0 5.0 35.0 257 221 A 43 CYS HB2 A 45 LYS H 1.0 5.0 35.0 258 222 A 43 CYS HB2 A 46 THR HB 1.0 5.0 35.0 259 223 A 43 CYS HB2 A 46 THR HG2% 1.0 5.0 35.0 260 224 A 52 PHE HD% A 43 CYS HB2 1.0 5.0 35.0 261 225 A 43 CYS HB2 A 103 ALA HB% 1.0 5.0 35.0 262 226 A 43 CYS H A 45 LYS HB3 1.0 5.0 35.0 263 227 A 43 CYS H A 45 LYS HB2 1.0 5.0 35.0 264 228 A 43 CYS H A 45 LYS HEx 1.0 5.0 35.0 265 228 A 43 CYS H A 45 LYS HEy 1.0 5.0 35.0 266 229 A 44 SER HG A 45 LYS HDx 1.0 5.0 35.0 267 229 A 44 SER HG A 45 LYS HDy 1.0 5.0 35.0 268 230 A 44 SER HG A 45 LYS HEx 1.0 5.0 35.0 269 230 A 44 SER HG A 45 LYS HEy 1.0 5.0 35.0 270 231 A 44 SER HG A 46 THR H 1.0 5.0 35.0 271 232 A 44 SER HG A 47 TYR HD% 1.0 5.0 35.0 272 233 A 44 SER HG A 47 TYR HE% 1.0 5.0 35.0 273 234 A 52 PHE HD% A 44 SER HG 1.0 5.0 35.0 274 235 A 44 SER HG A 52 PHE HE% 1.0 5.0 35.0 275 236 A 45 LYS HA A 49 LYS H 1.0 5.0 35.0 276 237 A 46 THR HA A 49 LYS H 1.0 5.0 35.0 277 238 A 46 THR HG2% A 104 ALA HB% 1.0 5.0 35.0 278 239 A 46 THR HG2% A 104 ALA H 1.0 5.0 35.0 279 240 A 47 TYR HA A 49 LYS HB3 1.0 5.0 35.0 280 241 A 47 TYR HA A 49 LYS HB2 1.0 5.0 35.0 281 242 A 50 MET HB3 A 47 TYR HA 1.0 5.0 35.0 282 243 A 47 TYR HA A 50 MET HB2 1.0 5.0 35.0 283 244 A 52 PHE HE% A 47 TYR HA 1.0 5.0 35.0 284 245 A 47 TYR HB3 A 50 MET HE% 1.0 5.0 35.0 285 246 A 47 TYR HB3 A 103 ALA H 1.0 5.0 35.0 286 247 A 52 PHE HD% A 47 TYR HB2 1.0 5.0 35.0 287 248 A 47 TYR HB2 A 103 ALA H 1.0 5.0 35.0 288 249 A 50 MET HA A 47 TYR HD% 1.0 5.0 35.0 289 250 A 51 VAL H A 47 TYR HD% 1.0 5.0 35.0 290 251 A 52 PHE H A 47 TYR HD% 1.0 5.0 35.0 291 252 A 51 VAL HA A 47 TYR HE% 1.0 5.0 35.0 292 253 A 51 VAL H A 47 TYR HE% 1.0 5.0 35.0 293 254 A 52 PHE H A 47 TYR HE% 1.0 5.0 35.0 294 255 A 47 TYR HE% A 102 TYR HA 1.0 5.0 35.0 295 256 A 47 TYR HE% A 103 ALA HA 1.0 5.0 35.0 296 257 A 52 PHE HD% A 48 THR HA 1.0 5.0 35.0 297 258 A 48 THR HB A 49 LYS HDx 1.0 5.0 35.0 298 258 A 49 LYS HDy A 48 THR HB 1.0 5.0 35.0 299 259 A 48 THR HB A 49 LYS HEx 1.0 5.0 35.0 300 259 A 48 THR HB A 49 LYS HEy 1.0 5.0 35.0 301 260 A 52 PHE HA A 50 MET HB3 1.0 5.0 35.0 302 261 A 52 PHE H A 50 MET HB3 1.0 5.0 35.0 303 262 A 52 PHE HA A 50 MET HB2 1.0 5.0 35.0 304 263 A 52 PHE H A 50 MET HB2 1.0 5.0 35.0 305 264 A 99 ILE HA A 50 MET HE% 1.0 5.0 35.0 306 265 A 102 TYR HE% A 50 MET HE% 1.0 5.0 35.0 307 266 A 52 PHE HD% A 50 MET H 1.0 5.0 35.0 308 267 A 52 PHE HD% A 51 VAL H 1.0 5.0 35.0 309 268 A 51 VAL H A 52 PHE HE% 1.0 5.0 35.0 310 269 A 52 PHE HB3 A 54 LYS HDx 1.0 5.0 35.0 311 269 A 54 LYS HDy A 52 PHE HB3 1.0 5.0 35.0 312 270 A 52 PHE HB3 A 54 LYS HG3 1.0 5.0 35.0 313 271 A 52 PHE HB3 A 54 LYS HG2 1.0 5.0 35.0 314 272 A 52 PHE HB2 A 54 LYS HDx 1.0 5.0 35.0 315 272 A 54 LYS HDy A 52 PHE HB2 1.0 5.0 35.0 316 273 A 52 PHE HB2 A 54 LYS HG3 1.0 5.0 35.0 317 274 A 52 PHE HB2 A 54 LYS HG2 1.0 5.0 35.0 318 275 A 55 VAL HB A 67 GLU HGx 1.0 5.0 35.0 319 275 A 55 VAL HB A 67 GLU HGy 1.0 5.0 35.0 320 276 A 73 PRO HB3 A 56 ASP HA 1.0 5.0 35.0 321 277 A 73 PRO HB2 A 56 ASP HA 1.0 5.0 35.0 322 278 A 57 VAL HA A 61 SER H 1.0 5.0 35.0 323 279 A 57 VAL HA A 64 THR HA 1.0 5.0 35.0 324 280 A 57 VAL HA A 72 MET HB2 1.0 5.0 35.0 325 280 A 57 VAL HA A 72 MET HB3 1.0 5.0 35.0 326 281 A 57 VAL HA A 72 MET HG3 1.0 5.0 35.0 327 282 A 57 VAL HA A 72 MET HG2 1.0 5.0 35.0 328 283 A 57 VAL HB A 72 MET HA 1.0 5.0 35.0 329 284 A 57 VAL HG1% A 61 SER HA 1.0 5.0 35.0 330 285 A 57 VAL HG1% A 72 MET HA 1.0 5.0 35.0 331 286 A 57 VAL HG1% A 73 PRO HA 1.0 5.0 35.0 332 287 A 57 VAL HG2% A 61 SER HA 1.0 5.0 35.0 333 288 A 57 VAL HG2% A 72 MET HA 1.0 5.0 35.0 334 289 A 57 VAL HG2% A 73 PRO HA 1.0 5.0 35.0 335 290 A 65 GLU H A 62 GLU HG3 1.0 5.0 35.0 336 291 A 65 GLU H A 62 GLU HG2 1.0 5.0 35.0 337 292 A 64 THR HA A 72 MET HB2 1.0 5.0 35.0 338 292 A 64 THR HA A 72 MET HB3 1.0 5.0 35.0 339 293 A 64 THR HA A 72 MET HE% 1.0 5.0 35.0 340 294 A 65 GLU HA A 70 THR HB 1.0 5.0 35.0 341 295 A 78 TYR HE% A 67 GLU HA 1.0 5.0 35.0 342 296 A 78 TYR HE% A 67 GLU HB3 1.0 5.0 35.0 343 297 A 78 TYR HE% A 67 GLU HB2 1.0 5.0 35.0 344 298 A 69 ILE HA A 67 GLU HGx 1.0 5.0 35.0 345 298 A 67 GLU HGy A 69 ILE HA 1.0 5.0 35.0 346 299 A 69 ILE H A 67 GLU HGx 1.0 5.0 35.0 347 299 A 67 GLU HGy A 69 ILE H 1.0 5.0 35.0 348 300 A 68 ASN HA A 70 THR HA 1.0 5.0 35.0 349 301 A 68 ASN HB3 A 70 THR H 1.0 5.0 35.0 350 302 A 68 ASN HB2 A 70 THR H 1.0 5.0 35.0 351 303 A 69 ILE HD1% A 68 ASN HD21 1.0 5.0 35.0 352 304 A 69 ILE HD1% A 68 ASN HD22 1.0 5.0 35.0 353 305 A 69 ILE HA A 70 THR HB 1.0 5.0 35.0 354 306 A 74 THR H A 69 ILE HA 1.0 5.0 35.0 355 307 A 76 LYS HE3 A 69 ILE HA 1.0 5.0 35.0 356 308 A 76 LYS HE2 A 69 ILE HA 1.0 5.0 35.0 357 309 A 69 ILE HB A 70 THR HB 1.0 5.0 35.0 358 310 A 69 ILE HB A 71 SER HA 1.0 5.0 35.0 359 311 A 74 THR HB A 69 ILE HB 1.0 5.0 35.0 360 312 A 74 THR HG1 A 69 ILE HB 1.0 5.0 35.0 361 313 A 74 THR H A 69 ILE HB 1.0 5.0 35.0 362 314 A 69 ILE HD1% A 72 MET HB3 1.0 5.0 35.0 363 315 A 69 ILE HD1% A 72 MET HB2 1.0 5.0 35.0 364 316 A 69 ILE HG13 A 70 THR H 1.0 5.0 35.0 365 317 A 69 ILE HG13 A 73 PRO HA 1.0 5.0 35.0 366 318 A 74 THR HB A 69 ILE HG13 1.0 5.0 35.0 367 319 A 74 THR H A 69 ILE HG13 1.0 5.0 35.0 368 320 A 69 ILE HG12 A 70 THR H 1.0 5.0 35.0 369 321 A 69 ILE HG12 A 73 PRO HA 1.0 5.0 35.0 370 322 A 74 THR HB A 69 ILE HG12 1.0 5.0 35.0 371 323 A 74 THR H A 69 ILE HG12 1.0 5.0 35.0 372 324 A 69 ILE HG2% A 70 THR HB 1.0 5.0 35.0 373 325 A 69 ILE HG2% A 71 SER HA 1.0 5.0 35.0 374 326 A 69 ILE HG2% A 72 MET HA 1.0 5.0 35.0 375 327 A 69 ILE HG2% A 72 MET HB3 1.0 5.0 35.0 376 328 A 69 ILE HG2% A 72 MET HB2 1.0 5.0 35.0 377 329 A 69 ILE HG2% A 72 MET HE% 1.0 5.0 35.0 378 330 A 69 ILE H A 70 THR HA 1.0 5.0 35.0 379 331 A 69 ILE H A 70 THR HB 1.0 5.0 35.0 380 332 A 74 THR HG1 A 70 THR HA 1.0 5.0 35.0 381 333 A 74 THR HB A 70 THR HB 1.0 5.0 35.0 382 334 A 74 THR HG1 A 70 THR HB 1.0 5.0 35.0 383 335 A 70 THR HB A 86 THR HB 1.0 5.0 35.0 384 336 A 74 THR HB A 70 THR H 1.0 5.0 35.0 385 337 A 72 MET HG3 A 71 SER HA 1.0 5.0 35.0 386 338 A 72 MET HG2 A 71 SER HA 1.0 5.0 35.0 387 339 A 71 SER H A 72 MET HA 1.0 5.0 35.0 388 340 A 71 SER H A 72 MET H 1.0 4.0 36.0 389 341 A 72 MET HA A 72 MET HE% 1.0 5.0 35.0 390 342 A 72 MET HG3 A 89 GLY H 1.0 5.0 35.0 391 343 A 72 MET HG2 A 89 GLY H 1.0 5.0 35.0 392 344 A 72 MET H A 73 PRO HD3 1.0 5.0 35.0 393 345 A 72 MET H A 73 PRO HD2 1.0 5.0 35.0 394 346 A 72 MET H A 89 GLY H 1.0 5.0 35.0 395 347 A 73 PRO HA A 89 GLY H 1.0 5.0 35.0 396 348 A 90 ALA H A 73 PRO HA 1.0 5.0 35.0 397 349 A 74 THR HG1 A 73 PRO HD3 1.0 5.0 35.0 398 350 A 74 THR HG1 A 73 PRO HD2 1.0 5.0 35.0 399 351 A 74 THR HG1 A 86 THR HB 1.0 5.0 35.0 400 352 A 74 THR HG1 A 88 LEU HBy 1.0 5.0 35.0 401 353 A 74 THR HG1 A 88 LEU HBx 1.0 5.0 35.0 402 354 A 74 THR HG1 A 88 LEU HG 1.0 5.0 35.0 403 355 A 74 THR HG1 A 89 GLY HA3 1.0 5.0 35.0 404 356 A 74 THR HG1 A 89 GLY HA2 1.0 5.0 35.0 405 357 A 74 THR HG1 A 89 GLY H 1.0 5.0 35.0 406 358 A 75 PHE HA A 74 THR H 1.0 5.0 35.0 407 359 A 75 PHE HE% A 74 THR H 1.0 5.0 35.0 408 360 A 74 THR H A 89 GLY H 1.0 5.0 35.0 409 361 A 75 PHE HB3 A 95 LEU HA 1.0 5.0 35.0 410 362 A 75 PHE HB2 A 95 LEU HA 1.0 5.0 35.0 411 363 A 75 PHE HD% A 95 LEU H 1.0 5.0 35.0 412 364 A 75 PHE H A 90 ALA H 1.0 5.0 35.0 413 365 A 76 LYS HE3 A 83 SER HA 1.0 5.0 35.0 414 366 A 76 LYS HE3 A 84 VAL H 1.0 5.0 35.0 415 367 A 76 LYS HE3 A 86 THR HA 1.0 5.0 35.0 416 368 A 76 LYS HE2 A 83 SER HA 1.0 5.0 35.0 417 369 A 76 LYS HE2 A 84 VAL H 1.0 5.0 35.0 418 370 A 76 LYS HE2 A 86 THR HA 1.0 5.0 35.0 419 371 A 78 TYR H A 76 LYS HG2 1.0 5.0 35.0 420 371 A 78 TYR H A 76 LYS HG3 1.0 5.0 35.0 421 372 A 78 TYR HE% A 77 VAL HA 1.0 5.0 35.0 422 373 A 77 VAL H A 83 SER HA 1.0 5.0 35.0 423 374 A 77 VAL H A 86 THR H 1.0 5.0 35.0 424 375 A 78 TYR HB3 A 83 SER H 1.0 5.0 35.0 425 376 A 78 TYR HB2 A 83 SER H 1.0 5.0 35.0 426 377 A 78 TYR H A 83 SER HA 1.0 5.0 35.0 427 378 A 78 TYR H A 83 SER H 1.0 5.0 35.0 428 379 A 81 GLY H A 79 LYS HB3 1.0 5.0 35.0 429 380 A 79 LYS HB3 A 83 SER H 1.0 5.0 35.0 430 381 A 79 LYS HB3 A 84 VAL H 1.0 5.0 35.0 431 382 A 81 GLY H A 79 LYS HB2 1.0 5.0 35.0 432 383 A 79 LYS HB2 A 83 SER H 1.0 5.0 35.0 433 384 A 79 LYS HB2 A 84 VAL H 1.0 5.0 35.0 434 385 A 81 GLY H A 79 LYS HDx 1.0 5.0 35.0 435 385 A 81 GLY H A 79 LYS HDy 1.0 5.0 35.0 436 386 A 82 SER HB3 A 79 LYS HDx 1.0 5.0 35.0 437 386 A 79 LYS HDy A 82 SER HB3 1.0 5.0 35.0 438 387 A 82 SER HB2 A 79 LYS HDx 1.0 5.0 35.0 439 387 A 79 LYS HDy A 82 SER HB2 1.0 5.0 35.0 440 388 A 82 SER H A 79 LYS HDx 1.0 5.0 35.0 441 388 A 82 SER H A 79 LYS HDy 1.0 5.0 35.0 442 389 A 84 VAL HA A 83 SER H 1.0 5.0 35.0 443 390 A 88 LEU HG A 87 LEU HA 1.0 5.0 35.0 444 391 A 88 LEU HD1% A 94 ALA HA 1.0 5.0 35.0 445 392 A 94 ALA HA A 88 LEU HD2% 1.0 5.0 35.0 446 393 A 90 ALA H A 88 LEU H 1.0 5.0 35.0 447 394 A 88 LEU H A 94 ALA HB% 1.0 5.0 35.0 448 395 A 93 SER H A 91 ASN HD21 1.0 5.0 35.0 449 396 A 93 SER H A 91 ASN HD22 1.0 5.0 35.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _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 26 PHE HA A 27 ALA H 1.0 5.00 35.00 2 2 A 26 PHE HD% A 27 ALA HB% 1.0 5.00 35.00 3 3 A 26 PHE HE% A 55 VAL HA 1.0 3.38 4.00 4 4 A 26 PHE HZ A 56 ASP H 1.0 4.80 5.20 5 5 A 27 ALA HA A 29 TRP H 1.0 5.00 35.00 6 6 A 27 ALA HA A 27 ALA HB% 1.0 2.91 2.97 7 7 A 27 ALA HB% A 29 TRP HD1 1.0 4.11 4.61 8 8 A 29 TRP HE1 A 27 ALA HB% 1.0 3.61 3.89 9 9 A 27 ALA HB% A 29 TRP H 1.0 5.00 35.00 10 10 A 27 ALA HB% A 30 CYS HB3 1.0 5.00 35.00 11 11 A 27 ALA HB% A 30 CYS H 1.0 5.00 35.00 12 12 A 28 GLU HA A 29 TRP H 1.0 5.00 35.00 13 13 A 28 GLU HA A 30 CYS H 1.0 5.00 35.00 14 14 A 29 TRP H A 28 GLU HBy 1.0 3.30 4.90 15 14 A 28 GLU HBx A 29 TRP H 1.0 3.30 4.90 16 15 A 28 GLU H A 29 TRP H 1.0 5.00 35.00 17 16 A 30 CYS H A 29 TRP HA 1.0 5.00 35.00 18 17 A 29 TRP HD1 A 29 TRP HA 1.0 5.91 5.93 19 18 A 29 TRP HD1 A 29 TRP H 1.0 5.00 35.00 20 19 A 29 TRP HE1 A 29 TRP H 1.0 5.00 35.00 21 20 A 29 TRP HA A 29 TRP HE3 1.0 4.44 4.46 22 21 A 30 CYS H A 29 TRP HE3 1.0 5.00 35.00 23 22 A 29 TRP H A 29 TRP HA 1.0 5.00 35.00 24 23 A 32 PRO HA A 35 ARG H 1.0 3.37 3.43 25 24 A 36 ILE H A 33 CYS H 1.0 5.00 35.00 26 25 A 34 LYS HA A 37 ALA H 1.0 3.30 3.62 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 2 VAL C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -136.708 -99.482 PHI 2 2 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 ILE N 1.0 99.450 139.176 PSI 3 3 A 3 LYS C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -120.208 -95.182 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 VAL N 1.0 112.180 134.434 PSI 5 5 A 4 ILE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -109.547 -67.815 PHI 6 6 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 THR N 1.0 120.812 168.104 PSI 7 7 A 5 VAL C A 6 THR N A 6 THR CA A 6 THR C 1.0 -129.428 -91.680 PHI 8 8 A 6 THR N A 6 THR CA A 6 THR C A 7 SER N 1.0 -21.671 11.361 PSI 9 9 A 6 THR C A 7 SER N A 7 SER CA A 7 SER C 1.0 -157.778 -102.482 PHI 10 10 A 7 SER N A 7 SER CA A 7 SER C A 8 GLN N 1.0 153.854 173.610 PSI 11 11 A 7 SER C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -71.592 -54.774 PHI 12 12 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 SER N 1.0 -48.374 -25.904 PSI 13 13 A 8 GLN C A 9 SER N A 9 SER CA A 9 SER C 1.0 -70.964 -59.450 PHI 14 14 A 9 SER N A 9 SER CA A 9 SER C A 10 GLU N 1.0 -45.102 -34.980 PSI 15 15 A 9 SER C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -71.966 -59.572 PHI 16 16 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 PHE N 1.0 -45.973 -34.227 PSI 17 17 A 10 GLU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -73.896 -61.234 PHI 18 18 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 ASP N 1.0 -49.371 -36.291 PSI 19 19 A 11 PHE C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -68.690 -60.274 PHI 20 20 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 SER N 1.0 -44.212 -27.820 PSI 21 21 A 12 ASP C A 13 SER N A 13 SER CA A 13 SER C 1.0 -71.344 -60.734 PHI 22 22 A 13 SER N A 13 SER CA A 13 SER C A 14 ILE N 1.0 -45.590 -33.402 PSI 23 23 A 13 SER C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -76.528 -59.128 PHI 24 24 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 ILE N 1.0 -49.340 -38.194 PSI 25 25 A 14 ILE C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -76.347 -58.025 PHI 26 26 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 SER N 1.0 -47.629 -20.791 PSI 27 27 A 15 ILE C A 16 SER N A 16 SER CA A 16 SER C 1.0 -84.963 -48.323 PHI 28 28 A 16 SER N A 16 SER CA A 16 SER C A 17 GLN N 1.0 -45.032 -25.578 PSI 29 29 A 16 SER C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -113.234 -85.378 PHI 30 30 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ASN N 1.0 -15.044 11.838 PSI 31 31 A 17 GLN C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -150.577 -94.243 PHI 32 32 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 GLU N 1.0 124.837 169.809 PSI 33 33 A 18 ASN C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -85.889 -68.149 PHI 34 34 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -54.037 -26.843 PSI 35 35 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -150.955 -128.143 PHI 36 36 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 130.808 141.336 PSI 37 37 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -135.747 -107.101 PHI 38 38 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ILE N 1.0 120.619 137.999 PSI 39 39 A 21 VAL C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -133.099 -114.075 PHI 40 40 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 VAL N 1.0 126.666 140.196 PSI 41 41 A 22 ILE C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -132.204 -109.160 PHI 42 42 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ASP N 1.0 124.518 148.910 PSI 43 43 A 23 VAL C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -131.368 -102.340 PHI 44 44 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 PHE N 1.0 99.413 135.045 PSI 45 45 A 24 ASP C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -115.683 -85.605 PHI 46 46 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 PHE N 1.0 115.344 139.244 PSI 47 47 A 25 PHE C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -148.041 -121.301 PHI 48 48 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 ALA N 1.0 149.196 171.144 PSI 49 49 A 26 PHE C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -142.765 -94.103 PHI 50 50 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 GLU N 1.0 112.629 150.657 PSI 51 51 A 27 ALA C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -72.725 -61.427 PHI 52 52 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 TRP N 1.0 -35.038 -13.536 PSI 53 53 A 28 GLU C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -103.071 -82.507 PHI 54 54 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 CYS N 1.0 -6.800 10.034 PSI 55 55 A 30 CYS C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -67.093 -53.197 PHI 56 56 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 PRO N 1.0 -47.897 -17.911 PSI 57 57 A 31 GLY C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -83.489 -47.999 PHI 58 58 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 CYS N 1.0 -46.785 -20.981 PSI 59 59 A 32 PRO C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -101.921 -50.361 PHI 60 60 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 LYS N 1.0 -51.690 -7.908 PSI 61 61 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -64.633 -59.159 PHI 62 62 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 ARG N 1.0 -48.275 -34.825 PSI 63 63 A 34 LYS C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -75.333 -57.437 PHI 64 64 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 ILE N 1.0 -41.515 -28.081 PSI 65 65 A 35 ARG C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -118.885 -83.911 PHI 66 66 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ALA N 1.0 -23.227 -4.269 PSI 67 67 A 36 ILE C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -65.247 -39.683 PHI 68 68 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 PRO N 1.0 -55.177 -42.309 PSI 69 69 A 37 ALA C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -61.433 -53.525 PHI 70 70 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 PHE N 1.0 -45.493 -22.599 PSI 71 71 A 38 PRO C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -75.884 -62.496 PHI 72 72 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 TYR N 1.0 -43.971 -27.413 PSI 73 73 A 39 PHE C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -71.970 -62.790 PHI 74 74 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 GLU N 1.0 -44.632 -36.702 PSI 75 75 A 40 TYR C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -66.680 -58.274 PHI 76 76 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 -45.946 -31.128 PSI 77 77 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -68.779 -61.795 PHI 78 78 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 CYS N 1.0 -49.373 -39.515 PSI 79 79 A 42 GLU C A 43 CYS N A 43 CYS CA A 43 CYS C 1.0 -68.775 -62.195 PHI 80 80 A 43 CYS N A 43 CYS CA A 43 CYS C A 44 SER N 1.0 -43.436 -35.352 PSI 81 81 A 43 CYS C A 44 SER N A 44 SER CA A 44 SER C 1.0 -70.657 -61.199 PHI 82 82 A 44 SER N A 44 SER CA A 44 SER C A 45 LYS N 1.0 -41.610 -23.132 PSI 83 83 A 44 SER C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -95.159 -62.523 PHI 84 84 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 THR N 1.0 -39.659 -5.207 PSI 85 85 A 45 LYS C A 46 THR N A 46 THR CA A 46 THR C 1.0 -99.043 -54.187 PHI 86 86 A 46 THR N A 46 THR CA A 46 THR C A 47 TYR N 1.0 -50.051 4.979 PSI 87 87 A 46 THR C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -88.033 -52.649 PHI 88 88 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 THR N 1.0 -57.733 6.945 PSI 89 89 A 47 TYR C A 48 THR N A 48 THR CA A 48 THR C 1.0 -81.683 -62.115 PHI 90 90 A 48 THR N A 48 THR CA A 48 THR C A 49 LYS N 1.0 -34.186 1.002 PSI 91 91 A 48 THR C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -101.358 -72.354 PHI 92 92 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 MET N 1.0 -29.483 7.517 PSI 93 93 A 50 MET C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -120.287 -95.157 PHI 94 94 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 PHE N 1.0 115.692 127.774 PSI 95 95 A 51 VAL C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -124.668 -84.968 PHI 96 96 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 ILE N 1.0 117.515 168.947 PSI 97 97 A 52 PHE C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -142.610 -107.866 PHI 98 98 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 LYS N 1.0 142.070 164.498 PSI 99 99 A 53 ILE C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -150.477 -121.567 PHI 100 100 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 VAL N 1.0 126.371 159.219 PSI 101 101 A 54 LYS C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -138.170 -103.038 PHI 102 102 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASP N 1.0 117.822 136.440 PSI 103 103 A 55 VAL C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -113.713 -68.977 PHI 104 104 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 VAL N 1.0 115.972 166.102 PSI 105 105 A 56 ASP C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -83.736 -48.020 PHI 106 106 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ASP N 1.0 -39.061 -2.333 PSI 107 107 A 57 VAL C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -74.752 -53.678 PHI 108 108 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLU N 1.0 -48.658 -16.424 PSI 109 109 A 58 ASP C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -95.815 -71.831 PHI 110 110 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 VAL N 1.0 -43.927 -10.671 PSI 111 111 A 60 VAL C A 61 SER N A 61 SER CA A 61 SER C 1.0 -64.246 -45.898 PHI 112 112 A 61 SER N A 61 SER CA A 61 SER C A 62 GLU N 1.0 -58.059 -32.731 PSI 113 113 A 61 SER C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -65.196 -56.678 PHI 114 114 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 VAL N 1.0 -47.328 -29.382 PSI 115 115 A 62 GLU C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -71.792 -63.566 PHI 116 116 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 THR N 1.0 -45.286 -35.488 PSI 117 117 A 63 VAL C A 64 THR N A 64 THR CA A 64 THR C 1.0 -66.701 -57.829 PHI 118 118 A 64 THR N A 64 THR CA A 64 THR C A 65 GLU N 1.0 -47.188 -38.430 PSI 119 119 A 64 THR C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -69.935 -58.799 PHI 120 120 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 LYS N 1.0 -49.647 -32.367 PSI 121 121 A 65 GLU C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -70.714 -58.330 PHI 122 122 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 GLU N 1.0 -39.715 -22.709 PSI 123 123 A 66 LYS C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -110.654 -87.794 PHI 124 124 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 ASN N 1.0 1.368 13.390 PSI 125 125 A 67 GLU C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 52.566 79.320 PHI 126 126 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ILE N 1.0 7.233 44.923 PSI 127 127 A 69 ILE C A 70 THR N A 70 THR CA A 70 THR C 1.0 -109.512 -70.396 PHI 128 128 A 70 THR N A 70 THR CA A 70 THR C A 71 SER N 1.0 -37.980 5.590 PSI 129 129 A 71 SER C A 72 MET N A 72 MET CA A 72 MET C 1.0 -116.479 -70.067 PHI 130 130 A 72 MET N A 72 MET CA A 72 MET C A 73 PRO N 1.0 113.209 157.445 PSI 131 131 A 72 MET C A 73 PRO N A 73 PRO CA A 73 PRO C 1.0 -70.487 -51.461 PHI 132 132 A 73 PRO N A 73 PRO CA A 73 PRO C A 74 THR N 1.0 136.276 155.118 PSI 133 133 A 73 PRO C A 74 THR N A 74 THR CA A 74 THR C 1.0 -152.797 -98.315 PHI 134 134 A 74 THR N A 74 THR CA A 74 THR C A 75 PHE N 1.0 125.835 158.253 PSI 135 135 A 74 THR C A 75 PHE N A 75 PHE CA A 75 PHE C 1.0 -130.101 -110.759 PHI 136 136 A 75 PHE N A 75 PHE CA A 75 PHE C A 76 LYS N 1.0 117.080 139.988 PSI 137 137 A 75 PHE C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -136.133 -111.435 PHI 138 138 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 VAL N 1.0 133.794 152.622 PSI 139 139 A 76 LYS C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -136.575 -99.745 PHI 140 140 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 TYR N 1.0 114.840 135.672 PSI 141 141 A 77 VAL C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -130.053 -108.933 PHI 142 142 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 LYS N 1.0 121.401 150.979 PSI 143 143 A 78 TYR C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -139.904 -117.608 PHI 144 144 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 ASN N 1.0 114.421 138.219 PSI 145 145 A 79 LYS C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 46.430 58.438 PHI 146 146 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 GLY N 1.0 36.513 49.157 PSI 147 147 A 82 SER C A 83 SER N A 83 SER CA A 83 SER C 1.0 -102.114 -70.654 PHI 148 148 A 83 SER N A 83 SER CA A 83 SER C A 84 VAL N 1.0 123.192 150.246 PSI 149 149 A 84 VAL C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -151.943 -125.051 PHI 150 150 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 THR N 1.0 131.963 169.883 PSI 151 151 A 85 ASP C A 86 THR N A 86 THR CA A 86 THR C 1.0 -146.013 -122.617 PHI 152 152 A 86 THR N A 86 THR CA A 86 THR C A 87 LEU N 1.0 127.544 145.958 PSI 153 153 A 86 THR C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -144.297 -105.787 PHI 154 154 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 LEU N 1.0 114.061 141.751 PSI 155 155 A 87 LEU C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -129.321 -92.507 PHI 156 156 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 GLY N 1.0 108.769 137.869 PSI 157 157 A 89 GLY C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -131.252 -63.608 PHI 158 158 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 ASN N 1.0 111.710 155.424 PSI 159 159 A 90 ALA C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -119.777 -59.835 PHI 160 160 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 ASP N 1.0 98.928 160.482 PSI 161 161 A 91 ASN C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -64.832 -55.804 PHI 162 162 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 SER N 1.0 -39.922 -21.982 PSI 163 163 A 92 ASP C A 93 SER N A 93 SER CA A 93 SER C 1.0 -68.514 -56.576 PHI 164 164 A 93 SER N A 93 SER CA A 93 SER C A 94 ALA N 1.0 -46.054 -39.050 PSI 165 165 A 93 SER C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -73.808 -61.308 PHI 166 166 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 LEU N 1.0 -43.570 -32.182 PSI 167 167 A 94 ALA C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -87.931 -54.841 PHI 168 168 A 95 LEU N A 95 LEU CA A 95 LEU C A 96 LYS N 1.0 -48.500 -27.550 PSI 169 169 A 95 LEU C A 96 LYS N A 96 LYS CA A 96 LYS C 1.0 -66.789 -56.505 PHI 170 170 A 96 LYS N A 96 LYS CA A 96 LYS C A 97 GLN N 1.0 -50.759 -42.493 PSI 171 171 A 96 LYS C A 97 GLN N A 97 GLN CA A 97 GLN C 1.0 -71.008 -61.500 PHI 172 172 A 97 GLN N A 97 GLN CA A 97 GLN C A 98 LEU N 1.0 -42.963 -28.513 PSI 173 173 A 97 GLN C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -66.520 -56.402 PHI 174 174 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 ILE N 1.0 -47.957 -40.119 PSI 175 175 A 98 LEU C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -67.584 -59.242 PHI 176 176 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 GLU N 1.0 -47.202 -34.550 PSI 177 177 A 99 ILE C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -64.044 -56.764 PHI 178 178 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 LYS N 1.0 -47.073 -35.503 PSI 179 179 A 100 GLU C A 101 LYS N A 101 LYS CA A 101 LYS C 1.0 -72.974 -59.482 PHI 180 180 A 101 LYS N A 101 LYS CA A 101 LYS C A 102 TYR N 1.0 -42.683 -33.601 PSI 181 181 A 101 LYS C A 102 TYR N A 102 TYR CA A 102 TYR C 1.0 -97.975 -66.275 PHI 182 182 A 102 TYR N A 102 TYR CA A 102 TYR C A 103 ALA N 1.0 -41.706 -2.732 PSI stop_ save_