data_nef_c30231_5uj5 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5UJ5 stop_ 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 54 CYS SG 2 1 FES FE1 1 60 CYS SG 2 1 FES FE1 1 63 CYS SG 2 1 FES FE2 1 100 CYS SG 2 1 FES FE2 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 GLY start . false 2 A 2 PRO middle . false 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 MET middle . . 6 A 6 ASP middle . . 7 A 7 MET middle . . 8 A 8 PHE middle . . 9 A 9 SER middle . . 10 A 10 ALA middle . . 11 A 11 PRO middle . false 12 A 12 ASP middle . . 13 A 13 ARG middle . . 14 A 14 ILE middle . . 15 A 15 PRO middle . false 16 A 16 GLU middle . . 17 A 17 GLN middle . . 18 A 18 ILE middle . . 19 A 19 ARG middle . . 20 A 20 ILE middle . . 21 A 21 PHE middle . . 22 A 22 PHE middle . . 23 A 23 LYS middle . . 24 A 24 THR middle . . 25 A 25 MET middle . . 26 A 26 LYS middle . . 27 A 27 GLN middle . . 28 A 28 VAL middle . . 29 A 29 VAL middle . . 30 A 30 PRO middle . false 31 A 31 ALA middle . . 32 A 32 LYS middle . . 33 A 33 ALA middle . . 34 A 34 VAL middle . . 35 A 35 CYS middle . . 36 A 36 GLY middle . false 37 A 37 SER middle . . 38 A 38 THR middle . . 39 A 39 VAL middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 VAL middle . . 43 A 43 ALA middle . . 44 A 44 HIS middle . . 45 A 45 LYS middle . . 46 A 46 ASN middle . . 47 A 47 GLY middle . false 48 A 48 VAL middle . . 49 A 49 ASP middle . . 50 A 50 LEU middle . . 51 A 51 GLU middle . . 52 A 52 GLY middle . false 53 A 53 ALA middle . . 54 A 54 CYS middle -HG . 55 A 55 GLU middle . . 56 A 56 GLY middle . false 57 A 57 ASN middle . . 58 A 58 LEU middle . . 59 A 59 ALA middle . . 60 A 60 CYS middle -HG . 61 A 61 SER middle . . 62 A 62 THR middle . . 63 A 63 CYS middle -HG . 64 A 64 HIS middle . . 65 A 65 VAL middle . . 66 A 66 ILE middle . . 67 A 67 LEU middle . . 68 A 68 GLU middle . . 69 A 69 GLU middle . . 70 A 70 PRO middle . false 71 A 71 LEU middle . . 72 A 72 TYR middle . . 73 A 73 ARG middle . . 74 A 74 LYS middle . . 75 A 75 LEU middle . . 76 A 76 GLY middle . false 77 A 77 GLU middle . . 78 A 78 PRO middle . false 79 A 79 SER middle . . 80 A 80 ASP middle . . 81 A 81 LYS middle . . 82 A 82 GLU middle . . 83 A 83 TYR middle . . 84 A 84 ASP middle . . 85 A 85 LEU middle . . 86 A 86 ILE middle . . 87 A 87 ASP middle . . 88 A 88 GLN middle . . 89 A 89 ALA middle . . 90 A 90 PHE middle . . 91 A 91 GLY middle . false 92 A 92 ALA middle . . 93 A 93 THR middle . . 94 A 94 GLY middle . false 95 A 95 THR middle . . 96 A 96 SER middle . . 97 A 97 ARG middle . . 98 A 98 LEU middle . . 99 A 99 GLY middle . false 100 A 100 CYS middle -HG . 101 A 101 GLN middle . . 102 A 102 LEU middle . . 103 A 103 ARG middle . . 104 A 104 VAL middle . . 105 A 105 ASP middle . . 106 A 106 LYS middle . . 107 A 107 SER middle . . 108 A 108 PHE middle . . 109 A 109 GLU middle . . 110 A 110 ASN middle . . 111 A 111 ALA middle . . 112 A 112 VAL middle . . 113 A 113 PHE middle . . 114 A 114 THR middle . . 115 A 115 VAL middle . . 116 A 116 PRO middle . false 117 A 117 ARG middle . . 118 A 118 ALA middle . . 119 A 119 THR middle . . 120 A 120 LYS middle . . 121 A 121 ASN middle . . 122 A 122 MET middle . . 123 A 123 ALA middle . . 124 A 124 VAL middle . . 125 A 125 ASP middle . . 126 A 126 GLY middle . false 127 A 127 PHE middle . . 128 A 128 LYS middle . . 129 A 129 PRO middle . false 130 A 130 LYS middle . . 131 A 131 PRO middle . false 132 A 132 HIS end . . 133 B 1 FES . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 PRO C C 13 177.4 0.2 A 2 PRO CA C 13 63.4 0.2 A 2 PRO CB C 13 32.2 0.2 A 3 GLY H H 1 8.72 0.02 A 3 GLY C C 13 174.3 0.2 A 3 GLY CA C 13 45.2 0.2 A 3 GLY N N 15 110.1 0.2 A 4 SER H H 1 8.23 0.02 A 4 SER CA C 13 58.5 0.2 A 4 SER CB C 13 63.7 0.2 A 4 SER N N 15 115.5 0.2 A 5 MET H H 1 8.54 0.02 A 5 MET C C 13 176.0 0.2 A 5 MET CA C 13 55.5 0.2 A 5 MET CB C 13 32.6 0.2 A 5 MET N N 15 121.6 0.2 A 6 ASP H H 1 8.30 0.02 A 6 ASP C C 13 176.3 0.2 A 6 ASP CA C 13 54.5 0.2 A 6 ASP CB C 13 41.1 0.2 A 6 ASP N N 15 121.1 0.2 A 7 MET H H 1 8.26 0.02 A 7 MET CA C 13 55.8 0.2 A 7 MET CB C 13 32.3 0.2 A 7 MET N N 15 119.9 0.2 A 8 PHE H H 1 8.23 0.02 A 8 PHE HDx H 1 7.37 0.02 A 8 PHE HDy H 1 7.37 0.02 A 8 PHE C C 13 175.6 0.2 A 8 PHE CA C 13 57.8 0.2 A 8 PHE CB C 13 39.4 0.2 A 8 PHE CDx C 13 131.6 0.2 A 8 PHE CDy C 13 131.6 0.2 A 8 PHE N N 15 120.1 0.2 A 9 SER H H 1 8.07 0.02 A 9 SER C C 13 173.4 0.2 A 9 SER CA C 13 57.9 0.2 A 9 SER CB C 13 63.9 0.2 A 9 SER N N 15 116.9 0.2 A 10 ALA H H 1 8.28 0.02 A 10 ALA CA C 13 50.7 0.2 A 10 ALA CB C 13 18.4 0.2 A 10 ALA N N 15 126.8 0.2 A 12 ASP H H 1 8.38 0.02 A 12 ASP C C 13 175.9 0.2 A 12 ASP CA C 13 54.2 0.2 A 12 ASP CB C 13 40.8 0.2 A 12 ASP N N 15 118.8 0.2 A 13 ARG H H 1 8.07 0.02 A 13 ARG C C 13 175.8 0.2 A 13 ARG CA C 13 55.5 0.2 A 13 ARG CB C 13 30.9 0.2 A 13 ARG CD C 13 43.2 0.2 A 13 ARG CG C 13 26.9 0.2 A 13 ARG N N 15 120.2 0.2 A 14 ILE H H 1 8.29 0.02 A 14 ILE HB H 1 1.88 0.02 A 14 ILE HD1% H 1 0.87 0.02 A 14 ILE HG1y H 1 1.53 0.02 A 14 ILE HG1x H 1 1.20 0.02 A 14 ILE HG2% H 1 0.97 0.02 A 14 ILE CB C 13 38.3 0.2 A 14 ILE CD1 C 13 12.5 0.2 A 14 ILE CG1 C 13 26.9 0.2 A 14 ILE CG2 C 13 16.9 0.2 A 14 ILE N N 15 124.3 0.2 A 15 PRO HA H 1 4.42 0.02 A 15 PRO HBy H 1 2.31 0.02 A 15 PRO HBx H 1 1.91 0.02 A 15 PRO HDy H 1 3.91 0.02 A 15 PRO HDx H 1 3.68 0.02 A 15 PRO HGy H 1 2.04 0.02 A 15 PRO HGx H 1 1.98 0.02 A 15 PRO CA C 13 62.8 0.2 A 15 PRO CB C 13 32.3 0.2 A 15 PRO CD C 13 50.9 0.2 A 15 PRO CG C 13 27.3 0.2 A 16 GLU H H 1 8.56 0.02 A 16 GLU HA H 1 4.25 0.02 A 16 GLU HBx H 1 2.02 0.02 A 16 GLU HBy H 1 2.02 0.02 A 16 GLU HGy H 1 2.35 0.02 A 16 GLU HGx H 1 2.26 0.02 A 16 GLU C C 13 175.5 0.2 A 16 GLU CA C 13 56.8 0.2 A 16 GLU CB C 13 30.4 0.2 A 16 GLU CG C 13 36.5 0.2 A 16 GLU N N 15 121.6 0.2 A 17 GLN H H 1 8.44 0.02 A 17 GLN HA H 1 5.06 0.02 A 17 GLN HBx H 1 1.88 0.02 A 17 GLN HBy H 1 1.88 0.02 A 17 GLN HE2y H 1 7.46 0.02 A 17 GLN HE2x H 1 6.81 0.02 A 17 GLN HGy H 1 2.29 0.02 A 17 GLN HGx H 1 2.11 0.02 A 17 GLN C C 13 175.3 0.2 A 17 GLN CA C 13 54.5 0.2 A 17 GLN CB C 13 31.2 0.2 A 17 GLN CG C 13 34.3 0.2 A 17 GLN N N 15 121.4 0.2 A 17 GLN NE2 N 15 110.9 0.2 A 18 ILE H H 1 8.94 0.02 A 18 ILE HA H 1 4.64 0.02 A 18 ILE HB H 1 1.75 0.02 A 18 ILE HD1% H 1 0.60 0.02 A 18 ILE HG1y H 1 1.18 0.02 A 18 ILE HG1x H 1 1.00 0.02 A 18 ILE HG2% H 1 0.78 0.02 A 18 ILE C C 13 174.1 0.2 A 18 ILE CA C 13 59.0 0.2 A 18 ILE CB C 13 42.2 0.2 A 18 ILE CD1 C 13 14.4 0.2 A 18 ILE CG1 C 13 26.4 0.2 A 18 ILE CG2 C 13 18.0 0.2 A 18 ILE N N 15 120.0 0.2 A 19 ARG H H 1 8.76 0.02 A 19 ARG HA H 1 5.00 0.02 A 19 ARG HBy H 1 1.84 0.02 A 19 ARG HBx H 1 1.64 0.02 A 19 ARG HDy H 1 3.02 0.02 A 19 ARG HDx H 1 2.82 0.02 A 19 ARG HGy H 1 1.30 0.02 A 19 ARG HGx H 1 1.02 0.02 A 19 ARG C C 13 175.6 0.2 A 19 ARG CA C 13 55.3 0.2 A 19 ARG CB C 13 31.3 0.2 A 19 ARG CD C 13 43.4 0.2 A 19 ARG CG C 13 26.8 0.2 A 19 ARG N N 15 125.2 0.2 A 20 ILE H H 1 8.29 0.02 A 20 ILE HA H 1 4.74 0.02 A 20 ILE HB H 1 2.15 0.02 A 20 ILE HD1% H 1 0.57 0.02 A 20 ILE HG1y H 1 1.05 0.02 A 20 ILE HG1x H 1 0.82 0.02 A 20 ILE HG2% H 1 1.10 0.02 A 20 ILE C C 13 172.3 0.2 A 20 ILE CA C 13 59.5 0.2 A 20 ILE CB C 13 41.7 0.2 A 20 ILE CD1 C 13 13.8 0.2 A 20 ILE CG1 C 13 24.9 0.2 A 20 ILE CG2 C 13 17.7 0.2 A 20 ILE N N 15 117.7 0.2 A 21 PHE H H 1 9.12 0.02 A 21 PHE HA H 1 5.57 0.02 A 21 PHE HBy H 1 2.78 0.02 A 21 PHE HBx H 1 2.73 0.02 A 21 PHE C C 13 175.1 0.2 A 21 PHE CA C 13 56.2 0.2 A 21 PHE CB C 13 43.0 0.2 A 21 PHE N N 15 115.2 0.2 A 22 PHE H H 1 9.26 0.02 A 22 PHE HA H 1 5.77 0.02 A 22 PHE HBy H 1 2.91 0.02 A 22 PHE HBx H 1 2.85 0.02 A 22 PHE HDx H 1 7.10 0.02 A 22 PHE HDy H 1 7.10 0.02 A 22 PHE HEx H 1 6.77 0.02 A 22 PHE HEy H 1 6.77 0.02 A 22 PHE C C 13 174.8 0.2 A 22 PHE CA C 13 56.3 0.2 A 22 PHE CB C 13 42.1 0.2 A 22 PHE CDx C 13 132.4 0.2 A 22 PHE CDy C 13 132.4 0.2 A 22 PHE CEx C 13 129.9 0.2 A 22 PHE CEy C 13 129.9 0.2 A 22 PHE N N 15 117.9 0.2 A 23 LYS H H 1 9.32 0.02 A 23 LYS HA H 1 5.20 0.02 A 23 LYS HBy H 1 2.01 0.02 A 23 LYS HBx H 1 1.37 0.02 A 23 LYS HDy H 1 1.60 0.02 A 23 LYS HDx H 1 1.57 0.02 A 23 LYS HGy H 1 1.33 0.02 A 23 LYS HGx H 1 1.27 0.02 A 23 LYS C C 13 174.9 0.2 A 23 LYS CA C 13 55.4 0.2 A 23 LYS CB C 13 34.2 0.2 A 23 LYS CD C 13 29.3 0.2 A 23 LYS CG C 13 25.0 0.2 A 23 LYS N N 15 126.1 0.2 A 24 THR H H 1 8.76 0.02 A 24 THR HA H 1 4.93 0.02 A 24 THR HB H 1 4.57 0.02 A 24 THR HG2% H 1 1.31 0.02 A 24 THR C C 13 174.3 0.2 A 24 THR CA C 13 59.6 0.2 A 24 THR CB C 13 70.3 0.2 A 24 THR CG2 C 13 20.6 0.2 A 24 THR N N 15 119.8 0.2 A 25 MET H H 1 9.15 0.02 A 25 MET HA H 1 4.19 0.02 A 25 MET HBy H 1 2.75 0.02 A 25 MET HBx H 1 2.67 0.02 A 25 MET HE% H 1 2.15 0.02 A 25 MET C C 13 176.5 0.2 A 25 MET CA C 13 57.6 0.2 A 25 MET CB C 13 32.2 0.2 A 25 MET CE C 13 16.9 0.2 A 25 MET N N 15 120.7 0.2 A 26 LYS H H 1 8.30 0.02 A 26 LYS C C 13 176.0 0.2 A 26 LYS CA C 13 56.9 0.2 A 26 LYS CB C 13 33.5 0.2 A 26 LYS CD C 13 29.0 0.2 A 26 LYS CG C 13 25.1 0.2 A 26 LYS N N 15 115.4 0.2 A 27 GLN H H 1 7.91 0.02 A 27 GLN HA H 1 4.73 0.02 A 27 GLN HBy H 1 2.20 0.02 A 27 GLN HBx H 1 2.08 0.02 A 27 GLN HE2y H 1 7.52 0.02 A 27 GLN HE2x H 1 7.00 0.02 A 27 GLN HGx H 1 2.29 0.02 A 27 GLN HGy H 1 2.29 0.02 A 27 GLN C C 13 174.1 0.2 A 27 GLN CA C 13 55.2 0.2 A 27 GLN CB C 13 31.5 0.2 A 27 GLN CG C 13 33.2 0.2 A 27 GLN N N 15 117.2 0.2 A 27 GLN NE2 N 15 111.6 0.2 A 28 VAL H H 1 8.69 0.02 A 28 VAL HB H 1 2.02 0.02 A 28 VAL HGx% H 1 0.84 0.02 A 28 VAL HGy% H 1 0.92 0.02 A 28 VAL C C 13 176.0 0.2 A 28 VAL CA C 13 62.2 0.2 A 28 VAL CB C 13 32.3 0.2 A 28 VAL CGy C 13 21.7 0.2 A 28 VAL CGx C 13 21.2 0.2 A 28 VAL N N 15 122.8 0.2 A 29 VAL H H 1 9.73 0.02 A 29 VAL HB H 1 2.33 0.02 A 29 VAL HGx% H 1 1.08 0.02 A 29 VAL HGy% H 1 1.08 0.02 A 29 VAL CA C 13 59.1 0.2 A 29 VAL CB C 13 34.8 0.2 A 29 VAL CGx C 13 20.4 0.2 A 29 VAL CGy C 13 20.4 0.2 A 29 VAL N N 15 128.9 0.2 A 30 PRO HA H 1 4.67 0.02 A 30 PRO HBy H 1 2.12 0.02 A 30 PRO HBx H 1 1.88 0.02 A 30 PRO HDy H 1 4.17 0.02 A 30 PRO HDx H 1 4.03 0.02 A 30 PRO HGy H 1 2.28 0.02 A 30 PRO HGx H 1 2.22 0.02 A 30 PRO C C 13 175.4 0.2 A 30 PRO CA C 13 61.7 0.2 A 30 PRO CB C 13 32.1 0.2 A 30 PRO CD C 13 51.0 0.2 A 30 PRO CG C 13 26.9 0.2 A 31 ALA H H 1 9.01 0.02 A 31 ALA HA H 1 4.60 0.02 A 31 ALA HB% H 1 1.20 0.02 A 31 ALA C C 13 175.3 0.2 A 31 ALA CA C 13 50.5 0.2 A 31 ALA CB C 13 22.2 0.2 A 31 ALA N N 15 123.4 0.2 A 32 LYS H H 1 8.05 0.02 A 32 LYS HA H 1 4.58 0.02 A 32 LYS HBy H 1 1.74 0.02 A 32 LYS HBx H 1 1.64 0.02 A 32 LYS HEx H 1 2.93 0.02 A 32 LYS HEy H 1 2.93 0.02 A 32 LYS HGy H 1 1.45 0.02 A 32 LYS HGx H 1 1.26 0.02 A 32 LYS C C 13 175.2 0.2 A 32 LYS CA C 13 55.4 0.2 A 32 LYS CB C 13 33.0 0.2 A 32 LYS CE C 13 41.7 0.2 A 32 LYS CG C 13 24.5 0.2 A 32 LYS N N 15 120.2 0.2 A 33 ALA H H 1 9.37 0.02 A 33 ALA HA H 1 4.72 0.02 A 33 ALA HB% H 1 1.19 0.02 A 33 ALA C C 13 175.1 0.2 A 33 ALA CA C 13 50.2 0.2 A 33 ALA CB C 13 24.1 0.2 A 33 ALA N N 15 128.1 0.2 A 34 VAL H H 1 8.11 0.02 A 34 VAL HA H 1 4.24 0.02 A 34 VAL HB H 1 1.89 0.02 A 34 VAL HGx% H 1 0.95 0.02 A 34 VAL HGy% H 1 0.95 0.02 A 34 VAL C C 13 176.9 0.2 A 34 VAL CA C 13 61.6 0.2 A 34 VAL CB C 13 32.4 0.2 A 34 VAL CGx C 13 21.5 0.2 A 34 VAL CGy C 13 21.5 0.2 A 34 VAL N N 15 121.4 0.2 A 35 CYS H H 1 8.87 0.02 A 35 CYS HA H 1 3.71 0.02 A 35 CYS HBx H 1 2.92 0.02 A 35 CYS HBy H 1 2.92 0.02 A 35 CYS C C 13 175.1 0.2 A 35 CYS CA C 13 62.1 0.2 A 35 CYS CB C 13 26.8 0.2 A 35 CYS N N 15 126.8 0.2 A 36 GLY H H 1 9.16 0.02 A 36 GLY HAy H 1 4.46 0.02 A 36 GLY HAx H 1 3.53 0.02 A 36 GLY C C 13 174.2 0.2 A 36 GLY CA C 13 44.6 0.2 A 36 GLY N N 15 113.0 0.2 A 37 SER H H 1 7.67 0.02 A 37 SER HA H 1 4.72 0.02 A 37 SER HBx H 1 3.94 0.02 A 37 SER HBy H 1 3.94 0.02 A 37 SER C C 13 173.2 0.2 A 37 SER CA C 13 57.9 0.2 A 37 SER CB C 13 64.7 0.2 A 37 SER N N 15 116.3 0.2 A 38 THR H H 1 8.98 0.02 A 38 THR HA H 1 5.61 0.02 A 38 THR HG2% H 1 1.21 0.02 A 38 THR CA C 13 60.2 0.2 A 38 THR CB C 13 71.6 0.2 A 38 THR CG2 C 13 21.4 0.2 A 38 THR N N 15 111.4 0.2 A 39 VAL HA H 1 3.20 0.02 A 39 VAL HB H 1 2.28 0.02 A 39 VAL HGx% H 1 0.46 0.02 A 39 VAL HGy% H 1 0.46 0.02 A 39 VAL CA C 13 67.2 0.2 A 39 VAL CB C 13 30.7 0.2 A 39 VAL CGx C 13 20.4 0.2 A 39 VAL CGy C 13 20.4 0.2 A 40 LEU HDx% H 1 0.57 0.02 A 40 LEU HDy% H 1 0.57 0.02 A 40 LEU HG H 1 0.91 0.02 A 40 LEU C C 13 175.9 0.2 A 40 LEU CA C 13 57.9 0.2 A 40 LEU CDx C 13 25.7 0.2 A 40 LEU CDy C 13 25.7 0.2 A 40 LEU CG C 13 27.6 0.2 A 40 LEU N N 15 120.0 0.2 A 41 ASP H H 1 7.78 0.02 A 41 ASP HBy H 1 2.99 0.02 A 41 ASP HBx H 1 2.73 0.02 A 41 ASP C C 13 179.0 0.2 A 41 ASP CA C 13 57.6 0.2 A 41 ASP CB C 13 40.9 0.2 A 41 ASP N N 15 119.4 0.2 A 42 VAL H H 1 8.43 0.02 A 42 VAL HA H 1 3.63 0.02 A 42 VAL HB H 1 2.24 0.02 A 42 VAL HGx% H 1 1.12 0.02 A 42 VAL HGy% H 1 0.96 0.02 A 42 VAL C C 13 179.7 0.2 A 42 VAL CA C 13 65.9 0.2 A 42 VAL CB C 13 31.7 0.2 A 42 VAL CGy C 13 22.7 0.2 A 42 VAL CGx C 13 22.5 0.2 A 42 VAL N N 15 118.4 0.2 A 43 ALA H H 1 8.36 0.02 A 43 ALA HA H 1 3.26 0.02 A 43 ALA HB% H 1 1.12 0.02 A 43 ALA C C 13 179.4 0.2 A 43 ALA CA C 13 56.0 0.2 A 43 ALA CB C 13 17.2 0.2 A 43 ALA N N 15 123.9 0.2 A 44 HIS H H 1 8.03 0.02 A 44 HIS HD2 H 1 7.15 0.02 A 44 HIS C C 13 178.8 0.2 A 44 HIS CA C 13 57.3 0.2 A 44 HIS CB C 13 29.1 0.2 A 44 HIS CD2 C 13 118.0 0.2 A 44 HIS N N 15 116.2 0.2 A 45 LYS H H 1 8.49 0.02 A 45 LYS HA H 1 4.25 0.02 A 45 LYS HBx H 1 2.00 0.02 A 45 LYS HBy H 1 2.00 0.02 A 45 LYS HDy H 1 1.73 0.02 A 45 LYS HDx H 1 1.68 0.02 A 45 LYS HEx H 1 3.05 0.02 A 45 LYS HEy H 1 3.05 0.02 A 45 LYS HGy H 1 1.65 0.02 A 45 LYS HGx H 1 1.59 0.02 A 45 LYS C C 13 177.1 0.2 A 45 LYS CA C 13 57.7 0.2 A 45 LYS CB C 13 32.7 0.2 A 45 LYS CD C 13 28.5 0.2 A 45 LYS CG C 13 25.6 0.2 A 45 LYS N N 15 119.0 0.2 A 46 ASN H H 1 7.65 0.02 A 46 ASN HA H 1 4.95 0.02 A 46 ASN HBy H 1 3.06 0.02 A 46 ASN HBx H 1 2.47 0.02 A 46 ASN C C 13 173.8 0.2 A 46 ASN CA C 13 53.2 0.2 A 46 ASN CB C 13 40.6 0.2 A 46 ASN N N 15 114.6 0.2 A 47 GLY H H 1 7.75 0.02 A 47 GLY HAy H 1 3.96 0.02 A 47 GLY HAx H 1 3.89 0.02 A 47 GLY C C 13 174.1 0.2 A 47 GLY CA C 13 47.0 0.2 A 47 GLY N N 15 107.3 0.2 A 48 VAL H H 1 8.07 0.02 A 48 VAL HA H 1 3.81 0.02 A 48 VAL HB H 1 1.28 0.02 A 48 VAL HGx% H 1 0.57 0.02 A 48 VAL HGy% H 1 0.33 0.02 A 48 VAL C C 13 175.8 0.2 A 48 VAL CA C 13 61.5 0.2 A 48 VAL CB C 13 32.1 0.2 A 48 VAL CGy C 13 20.7 0.2 A 48 VAL CGx C 13 19.4 0.2 A 48 VAL N N 15 120.9 0.2 A 49 ASP H H 1 8.73 0.02 A 49 ASP HA H 1 4.44 0.02 A 49 ASP HBy H 1 2.74 0.02 A 49 ASP HBx H 1 2.56 0.02 A 49 ASP C C 13 173.8 0.2 A 49 ASP CA C 13 54.1 0.2 A 49 ASP CB C 13 39.2 0.2 A 49 ASP N N 15 128.6 0.2 A 50 LEU H H 1 7.67 0.02 A 50 LEU HA H 1 4.45 0.02 A 50 LEU HBy H 1 1.49 0.02 A 50 LEU HBx H 1 0.88 0.02 A 50 LEU HG H 1 0.97 0.02 A 50 LEU C C 13 174.5 0.2 A 50 LEU CA C 13 53.8 0.2 A 50 LEU CB C 13 44.1 0.2 A 50 LEU CG C 13 24.5 0.2 A 50 LEU N N 15 128.0 0.2 A 51 GLU H H 1 8.99 0.02 A 51 GLU CA C 13 58.3 0.2 A 51 GLU CB C 13 31.4 0.2 A 51 GLU N N 15 128.2 0.2 A 64 HIS CA C 13 55.5 0.2 A 65 VAL H H 1 9.42 0.02 A 65 VAL HB H 1 2.14 0.02 A 65 VAL HGx% H 1 1.09 0.02 A 65 VAL HGy% H 1 0.91 0.02 A 65 VAL C C 13 172.8 0.2 A 65 VAL CA C 13 59.4 0.2 A 65 VAL CB C 13 37.2 0.2 A 65 VAL CGy C 13 23.4 0.2 A 65 VAL CGx C 13 18.3 0.2 A 65 VAL N N 15 119.6 0.2 A 66 ILE H H 1 8.99 0.02 A 66 ILE HB H 1 1.43 0.02 A 66 ILE HD1% H 1 0.80 0.02 A 66 ILE HG1y H 1 1.22 0.02 A 66 ILE HG1x H 1 1.06 0.02 A 66 ILE HG2% H 1 0.83 0.02 A 66 ILE C C 13 176.2 0.2 A 66 ILE CA C 13 61.8 0.2 A 66 ILE CB C 13 40.8 0.2 A 66 ILE CD1 C 13 14.7 0.2 A 66 ILE CG1 C 13 28.1 0.2 A 66 ILE CG2 C 13 17.1 0.2 A 66 ILE N N 15 120.2 0.2 A 67 LEU H H 1 8.17 0.02 A 67 LEU HA H 1 4.53 0.02 A 67 LEU HBy H 1 2.26 0.02 A 67 LEU HBx H 1 2.07 0.02 A 67 LEU HDx% H 1 1.16 0.02 A 67 LEU HDy% H 1 1.16 0.02 A 67 LEU HG H 1 0.88 0.02 A 67 LEU C C 13 179.1 0.2 A 67 LEU CA C 13 55.8 0.2 A 67 LEU CB C 13 43.9 0.2 A 67 LEU CDx C 13 24.9 0.2 A 67 LEU CDy C 13 24.9 0.2 A 67 LEU CG C 13 27.0 0.2 A 67 LEU N N 15 129.7 0.2 A 68 GLU H H 1 9.42 0.02 A 68 GLU HA H 1 4.34 0.02 A 68 GLU HBy H 1 2.15 0.02 A 68 GLU HBx H 1 2.11 0.02 A 68 GLU HGy H 1 2.57 0.02 A 68 GLU HGx H 1 2.15 0.02 A 68 GLU C C 13 177.2 0.2 A 68 GLU CA C 13 56.4 0.2 A 68 GLU CB C 13 31.2 0.2 A 68 GLU CG C 13 37.7 0.2 A 68 GLU N N 15 120.3 0.2 A 69 GLU H H 1 9.18 0.02 A 69 GLU HA H 1 4.02 0.02 A 69 GLU HBy H 1 2.18 0.02 A 69 GLU HBx H 1 2.06 0.02 A 69 GLU HGy H 1 2.32 0.02 A 69 GLU HGx H 1 2.26 0.02 A 69 GLU CA C 13 61.5 0.2 A 69 GLU CB C 13 27.2 0.2 A 69 GLU CG C 13 36.1 0.2 A 69 GLU N N 15 123.6 0.2 A 70 PRO HA H 1 4.24 0.02 A 70 PRO HBy H 1 2.11 0.02 A 70 PRO HBx H 1 1.96 0.02 A 70 PRO HDy H 1 3.90 0.02 A 70 PRO HDx H 1 3.59 0.02 A 70 PRO HGy H 1 2.31 0.02 A 70 PRO HGx H 1 1.88 0.02 A 70 PRO C C 13 179.7 0.2 A 70 PRO CA C 13 66.2 0.2 A 70 PRO CB C 13 28.5 0.2 A 70 PRO CD C 13 50.1 0.2 A 70 PRO CG C 13 30.3 0.2 A 71 LEU H H 1 6.85 0.02 A 71 LEU HA H 1 4.17 0.02 A 71 LEU HBy H 1 1.63 0.02 A 71 LEU HBx H 1 1.43 0.02 A 71 LEU HDx% H 1 0.55 0.02 A 71 LEU HDy% H 1 0.34 0.02 A 71 LEU HG H 1 1.23 0.02 A 71 LEU C C 13 177.5 0.2 A 71 LEU CA C 13 57.0 0.2 A 71 LEU CB C 13 40.9 0.2 A 71 LEU CDx C 13 22.2 0.2 A 71 LEU CDy C 13 25.9 0.2 A 71 LEU CG C 13 26.7 0.2 A 71 LEU N N 15 116.8 0.2 A 72 TYR H H 1 8.06 0.02 A 72 TYR HA H 1 3.67 0.02 A 72 TYR HBy H 1 3.20 0.02 A 72 TYR HBx H 1 2.82 0.02 A 72 TYR HDx H 1 6.88 0.02 A 72 TYR HDy H 1 6.88 0.02 A 72 TYR HEx H 1 6.75 0.02 A 72 TYR HEy H 1 6.75 0.02 A 72 TYR C C 13 178.1 0.2 A 72 TYR CA C 13 62.4 0.2 A 72 TYR CB C 13 38.7 0.2 A 72 TYR CDx C 13 132.3 0.2 A 72 TYR CDy C 13 132.3 0.2 A 72 TYR CEx C 13 119.3 0.2 A 72 TYR CEy C 13 119.3 0.2 A 72 TYR N N 15 118.3 0.2 A 73 ARG H H 1 8.51 0.02 A 73 ARG HA H 1 4.09 0.02 A 73 ARG HBy H 1 2.00 0.02 A 73 ARG HBx H 1 1.91 0.02 A 73 ARG HDx H 1 3.29 0.02 A 73 ARG HDy H 1 3.29 0.02 A 73 ARG HGy H 1 1.91 0.02 A 73 ARG HGx H 1 1.82 0.02 A 73 ARG CA C 13 58.0 0.2 A 73 ARG CB C 13 30.0 0.2 A 73 ARG CG C 13 27.3 0.2 A 73 ARG N N 15 115.0 0.2 A 74 LYS H H 1 7.63 0.02 A 74 LYS HA H 1 4.11 0.02 A 74 LYS HDx H 1 1.68 0.02 A 74 LYS HDy H 1 1.68 0.02 A 74 LYS HEx H 1 3.02 0.02 A 74 LYS HEy H 1 3.02 0.02 A 74 LYS HGy H 1 1.63 0.02 A 74 LYS HGx H 1 1.52 0.02 A 74 LYS C C 13 178.3 0.2 A 74 LYS CA C 13 58.3 0.2 A 74 LYS CB C 13 32.8 0.2 A 74 LYS CD C 13 29.0 0.2 A 74 LYS CG C 13 24.8 0.2 A 74 LYS N N 15 119.1 0.2 A 75 LEU H H 1 7.62 0.02 A 75 LEU HA H 1 4.19 0.02 A 75 LEU HBy H 1 1.84 0.02 A 75 LEU HBx H 1 1.34 0.02 A 75 LEU HDx% H 1 0.93 0.02 A 75 LEU HDy% H 1 0.93 0.02 A 75 LEU HG H 1 0.66 0.02 A 75 LEU C C 13 178.3 0.2 A 75 LEU CA C 13 55.7 0.2 A 75 LEU CB C 13 41.7 0.2 A 75 LEU CDx C 13 22.0 0.2 A 75 LEU CDy C 13 22.0 0.2 A 75 LEU CG C 13 26.5 0.2 A 75 LEU N N 15 117.5 0.2 A 76 GLY H H 1 7.42 0.02 A 76 GLY HAy H 1 4.14 0.02 A 76 GLY HAx H 1 3.73 0.02 A 76 GLY C C 13 172.6 0.2 A 76 GLY CA C 13 44.1 0.2 A 76 GLY N N 15 106.3 0.2 A 77 GLU H H 1 8.34 0.02 A 77 GLU HA H 1 4.39 0.02 A 77 GLU HBy H 1 2.14 0.02 A 77 GLU HBx H 1 1.90 0.02 A 77 GLU HGx H 1 2.46 0.02 A 77 GLU HGy H 1 2.46 0.02 A 77 GLU CA C 13 55.0 0.2 A 77 GLU CB C 13 29.8 0.2 A 77 GLU CG C 13 36.4 0.2 A 77 GLU N N 15 118.8 0.2 A 78 PRO HA H 1 4.26 0.02 A 78 PRO HBx H 1 1.83 0.02 A 78 PRO HBy H 1 1.83 0.02 A 78 PRO HDx H 1 3.69 0.02 A 78 PRO HDy H 1 3.69 0.02 A 78 PRO HGx H 1 1.67 0.02 A 78 PRO HGy H 1 1.67 0.02 A 78 PRO C C 13 174.9 0.2 A 78 PRO CA C 13 62.2 0.2 A 78 PRO CB C 13 32.0 0.2 A 78 PRO CG C 13 26.7 0.2 A 79 SER H H 1 8.19 0.02 A 79 SER HA H 1 4.42 0.02 A 79 SER HBy H 1 4.32 0.02 A 79 SER HBx H 1 4.17 0.02 A 79 SER C C 13 174.1 0.2 A 79 SER CA C 13 57.9 0.2 A 79 SER CB C 13 65.0 0.2 A 79 SER N N 15 114.5 0.2 A 80 ASP H H 1 8.87 0.02 A 80 ASP HA H 1 4.52 0.02 A 80 ASP HBy H 1 2.88 0.02 A 80 ASP HBx H 1 2.72 0.02 A 80 ASP CA C 13 57.8 0.2 A 80 ASP CB C 13 39.7 0.2 A 80 ASP N N 15 121.2 0.2 A 81 LYS H H 1 8.38 0.02 A 81 LYS HA H 1 4.17 0.02 A 81 LYS HBy H 1 1.89 0.02 A 81 LYS HBx H 1 1.75 0.02 A 81 LYS HDx H 1 1.81 0.02 A 81 LYS HDy H 1 1.81 0.02 A 81 LYS HEx H 1 3.09 0.02 A 81 LYS HEy H 1 3.09 0.02 A 81 LYS CB C 13 32.5 0.2 A 81 LYS CD C 13 28.8 0.2 A 81 LYS N N 15 118.8 0.2 A 82 GLU H H 1 7.62 0.02 A 82 GLU HBy H 1 2.18 0.02 A 82 GLU HBx H 1 2.02 0.02 A 82 GLU C C 13 178.0 0.2 A 82 GLU CA C 13 59.7 0.2 A 82 GLU CB C 13 28.7 0.2 A 82 GLU CG C 13 35.7 0.2 A 82 GLU N N 15 119.3 0.2 A 83 TYR H H 1 8.91 0.02 A 83 TYR HA H 1 4.17 0.02 A 83 TYR HBy H 1 3.20 0.02 A 83 TYR HBx H 1 3.11 0.02 A 83 TYR HDx H 1 7.15 0.02 A 83 TYR HDy H 1 7.15 0.02 A 83 TYR HEx H 1 6.88 0.02 A 83 TYR HEy H 1 6.88 0.02 A 83 TYR C C 13 178.4 0.2 A 83 TYR CA C 13 62.1 0.2 A 83 TYR CB C 13 37.9 0.2 A 83 TYR CDx C 13 133.0 0.2 A 83 TYR CDy C 13 133.0 0.2 A 83 TYR CEx C 13 118.5 0.2 A 83 TYR CEy C 13 118.5 0.2 A 83 TYR N N 15 119.1 0.2 A 84 ASP H H 1 7.96 0.02 A 84 ASP HA H 1 4.39 0.02 A 84 ASP HBy H 1 2.84 0.02 A 84 ASP HBx H 1 2.70 0.02 A 84 ASP C C 13 178.6 0.2 A 84 ASP CA C 13 57.4 0.2 A 84 ASP CB C 13 40.7 0.2 A 84 ASP N N 15 117.7 0.2 A 85 LEU H H 1 7.49 0.02 A 85 LEU C C 13 180.7 0.2 A 85 LEU CA C 13 57.5 0.2 A 85 LEU CB C 13 42.4 0.2 A 85 LEU N N 15 120.1 0.2 A 86 ILE H H 1 8.72 0.02 A 86 ILE HA H 1 3.39 0.02 A 86 ILE HB H 1 1.96 0.02 A 86 ILE HD1% H 1 0.93 0.02 A 86 ILE HG1y H 1 1.82 0.02 A 86 ILE HG1x H 1 0.78 0.02 A 86 ILE HG2% H 1 0.85 0.02 A 86 ILE C C 13 177.6 0.2 A 86 ILE CA C 13 64.7 0.2 A 86 ILE CB C 13 37.7 0.2 A 86 ILE CD1 C 13 14.1 0.2 A 86 ILE CG1 C 13 29.7 0.2 A 86 ILE CG2 C 13 18.4 0.2 A 86 ILE N N 15 122.7 0.2 A 87 ASP H H 1 7.91 0.02 A 87 ASP HA H 1 4.34 0.02 A 87 ASP HBy H 1 2.70 0.02 A 87 ASP HBx H 1 2.62 0.02 A 87 ASP C C 13 177.4 0.2 A 87 ASP CA C 13 56.5 0.2 A 87 ASP CB C 13 41.4 0.2 A 87 ASP N N 15 116.7 0.2 A 88 GLN H H 1 7.08 0.02 A 88 GLN HA H 1 4.34 0.02 A 88 GLN HBy H 1 2.37 0.02 A 88 GLN HBx H 1 1.91 0.02 A 88 GLN HE2y H 1 7.66 0.02 A 88 GLN HE2x H 1 6.98 0.02 A 88 GLN HGy H 1 2.51 0.02 A 88 GLN HGx H 1 2.37 0.02 A 88 GLN C C 13 175.6 0.2 A 88 GLN CA C 13 54.7 0.2 A 88 GLN CB C 13 29.6 0.2 A 88 GLN CG C 13 33.8 0.2 A 88 GLN N N 15 113.2 0.2 A 88 GLN NE2 N 15 112.8 0.2 A 89 ALA H H 1 7.85 0.02 A 89 ALA HA H 1 4.31 0.02 A 89 ALA HB% H 1 1.20 0.02 A 89 ALA C C 13 177.1 0.2 A 89 ALA CA C 13 51.5 0.2 A 89 ALA CB C 13 18.9 0.2 A 89 ALA N N 15 124.4 0.2 A 90 PHE H H 1 8.52 0.02 A 90 PHE HA H 1 4.42 0.02 A 90 PHE HBy H 1 3.21 0.02 A 90 PHE HBx H 1 2.99 0.02 A 90 PHE HDx H 1 7.33 0.02 A 90 PHE HDy H 1 7.33 0.02 A 90 PHE C C 13 176.8 0.2 A 90 PHE CA C 13 58.7 0.2 A 90 PHE CB C 13 39.0 0.2 A 90 PHE CDx C 13 129.8 0.2 A 90 PHE CDy C 13 129.8 0.2 A 90 PHE N N 15 122.9 0.2 A 91 GLY H H 1 8.44 0.02 A 91 GLY HAy H 1 3.57 0.02 A 91 GLY HAx H 1 3.43 0.02 A 91 GLY C C 13 174.2 0.2 A 91 GLY CA C 13 45.8 0.2 A 91 GLY N N 15 113.2 0.2 A 92 ALA H H 1 7.26 0.02 A 92 ALA HA H 1 4.13 0.02 A 92 ALA HB% H 1 1.33 0.02 A 92 ALA C C 13 177.8 0.2 A 92 ALA CA C 13 53.3 0.2 A 92 ALA CB C 13 19.4 0.2 A 92 ALA N N 15 119.5 0.2 A 93 THR H H 1 9.55 0.02 A 93 THR HB H 1 5.07 0.02 A 93 THR C C 13 176.3 0.2 A 93 THR CA C 13 59.9 0.2 A 93 THR CB C 13 62.0 0.2 A 93 THR N N 15 113.2 0.2 A 94 GLY H H 1 8.75 0.02 A 94 GLY HAy H 1 4.14 0.02 A 94 GLY HAx H 1 3.85 0.02 A 94 GLY C C 13 174.1 0.2 A 94 GLY CA C 13 45.9 0.2 A 94 GLY N N 15 107.1 0.2 A 95 THR H H 1 7.67 0.02 A 95 THR HA H 1 3.48 0.02 A 95 THR HB H 1 4.10 0.02 A 95 THR HG2% H 1 0.62 0.02 A 95 THR C C 13 174.7 0.2 A 95 THR CA C 13 59.3 0.2 A 95 THR CB C 13 66.4 0.2 A 95 THR CG2 C 13 20.9 0.2 A 95 THR N N 15 106.6 0.2 A 96 SER H H 1 7.14 0.02 A 96 SER HA H 1 4.17 0.02 A 96 SER HBy H 1 4.16 0.02 A 96 SER HBx H 1 3.97 0.02 A 96 SER C C 13 174.0 0.2 A 96 SER CA C 13 62.1 0.2 A 96 SER CB C 13 64.7 0.2 A 96 SER N N 15 121.2 0.2 A 97 ARG H H 1 9.55 0.02 A 97 ARG CA C 13 51.9 0.2 A 97 ARG CB C 13 35.2 0.2 A 97 ARG N N 15 118.7 0.2 A 98 LEU CA C 13 54.3 0.2 A 98 LEU CB C 13 41.3 0.2 A 99 GLY CA C 13 46.2 0.2 A 102 LEU HBy H 1 2.05 0.02 A 102 LEU HBx H 1 1.28 0.02 A 102 LEU HDx% H 1 0.88 0.02 A 102 LEU HDy% H 1 0.88 0.02 A 102 LEU HG H 1 0.91 0.02 A 102 LEU C C 13 174.4 0.2 A 102 LEU CA C 13 52.6 0.2 A 102 LEU CB C 13 43.6 0.2 A 102 LEU CDx C 13 23.1 0.2 A 102 LEU CDy C 13 23.1 0.2 A 102 LEU CG C 13 27.6 0.2 A 103 ARG H H 1 8.71 0.02 A 103 ARG HA H 1 4.32 0.02 A 103 ARG HBy H 1 1.63 0.02 A 103 ARG HBx H 1 1.39 0.02 A 103 ARG HDy H 1 3.08 0.02 A 103 ARG HDx H 1 3.02 0.02 A 103 ARG HGy H 1 1.48 0.02 A 103 ARG HGx H 1 1.25 0.02 A 103 ARG C C 13 174.2 0.2 A 103 ARG CA C 13 52.2 0.2 A 103 ARG CB C 13 30.2 0.2 A 103 ARG CD C 13 42.9 0.2 A 103 ARG CG C 13 27.2 0.2 A 103 ARG N N 15 124.1 0.2 A 104 VAL H H 1 8.56 0.02 A 104 VAL HA H 1 1.53 0.02 A 104 VAL HB H 1 1.69 0.02 A 104 VAL HGx% H 1 0.58 0.02 A 104 VAL HGy% H 1 0.50 0.02 A 104 VAL C C 13 175.6 0.2 A 104 VAL CA C 13 63.4 0.2 A 104 VAL CB C 13 31.3 0.2 A 104 VAL CGx C 13 22.0 0.2 A 104 VAL CGy C 13 22.1 0.2 A 104 VAL N N 15 122.7 0.2 A 105 ASP H H 1 6.37 0.02 A 105 ASP HA H 1 4.71 0.02 A 105 ASP HBy H 1 3.20 0.02 A 105 ASP HBx H 1 2.61 0.02 A 105 ASP C C 13 176.2 0.2 A 105 ASP CA C 13 52.7 0.2 A 105 ASP CB C 13 42.5 0.2 A 105 ASP N N 15 127.0 0.2 A 106 LYS H H 1 8.73 0.02 A 106 LYS HA H 1 3.97 0.02 A 106 LYS HBy H 1 1.94 0.02 A 106 LYS HBx H 1 1.89 0.02 A 106 LYS C C 13 178.3 0.2 A 106 LYS CA C 13 59.4 0.2 A 106 LYS CB C 13 31.9 0.2 A 106 LYS CD C 13 29.0 0.2 A 106 LYS CG C 13 24.9 0.2 A 106 LYS N N 15 117.2 0.2 A 107 SER H H 1 8.96 0.02 A 107 SER C C 13 175.2 0.2 A 107 SER CA C 13 61.2 0.2 A 107 SER CB C 13 63.3 0.2 A 107 SER N N 15 116.9 0.2 A 108 PHE H H 1 8.76 0.02 A 108 PHE HA H 1 4.41 0.02 A 108 PHE HBy H 1 3.73 0.02 A 108 PHE HBx H 1 3.28 0.02 A 108 PHE HDx H 1 7.46 0.02 A 108 PHE HDy H 1 7.46 0.02 A 108 PHE C C 13 174.3 0.2 A 108 PHE CA C 13 57.6 0.2 A 108 PHE CB C 13 38.4 0.2 A 108 PHE CDx C 13 131.0 0.2 A 108 PHE CDy C 13 131.0 0.2 A 108 PHE N N 15 122.0 0.2 A 109 GLU H H 1 7.37 0.02 A 109 GLU HA H 1 4.02 0.02 A 109 GLU HBy H 1 2.16 0.02 A 109 GLU HBx H 1 2.09 0.02 A 109 GLU HGx H 1 2.42 0.02 A 109 GLU HGy H 1 2.42 0.02 A 109 GLU C C 13 177.5 0.2 A 109 GLU CA C 13 59.4 0.2 A 109 GLU CB C 13 29.4 0.2 A 109 GLU CG C 13 35.4 0.2 A 109 GLU N N 15 119.5 0.2 A 110 ASN H H 1 9.74 0.02 A 110 ASN HA H 1 4.36 0.02 A 110 ASN HBy H 1 3.37 0.02 A 110 ASN HBx H 1 3.20 0.02 A 110 ASN HD2y H 1 7.81 0.02 A 110 ASN HD2x H 1 7.10 0.02 A 110 ASN C C 13 173.5 0.2 A 110 ASN CA C 13 55.6 0.2 A 110 ASN CB C 13 37.2 0.2 A 110 ASN N N 15 120.0 0.2 A 110 ASN ND2 N 15 114.5 0.2 A 111 ALA H H 1 8.80 0.02 A 111 ALA HA H 1 4.25 0.02 A 111 ALA HB% H 1 1.25 0.02 A 111 ALA C C 13 175.6 0.2 A 111 ALA CA C 13 52.8 0.2 A 111 ALA CB C 13 21.0 0.2 A 111 ALA N N 15 123.6 0.2 A 112 VAL H H 1 7.69 0.02 A 112 VAL HA H 1 4.53 0.02 A 112 VAL HB H 1 1.68 0.02 A 112 VAL HGx% H 1 0.66 0.02 A 112 VAL HGy% H 1 0.76 0.02 A 112 VAL C C 13 176.6 0.2 A 112 VAL CA C 13 60.7 0.2 A 112 VAL CB C 13 33.0 0.2 A 112 VAL CGy C 13 21.4 0.2 A 112 VAL CGx C 13 20.7 0.2 A 112 VAL N N 15 117.1 0.2 A 113 PHE H H 1 9.19 0.02 A 113 PHE HA H 1 4.69 0.02 A 113 PHE HBy H 1 2.78 0.02 A 113 PHE HBx H 1 2.57 0.02 A 113 PHE HDx H 1 6.91 0.02 A 113 PHE HDy H 1 6.91 0.02 A 113 PHE C C 13 175.2 0.2 A 113 PHE CA C 13 57.0 0.2 A 113 PHE CB C 13 40.3 0.2 A 113 PHE CDx C 13 131.5 0.2 A 113 PHE CDy C 13 131.5 0.2 A 113 PHE N N 15 129.2 0.2 A 114 THR H H 1 9.43 0.02 A 114 THR HA H 1 4.99 0.02 A 114 THR HB H 1 4.14 0.02 A 114 THR HG2% H 1 1.09 0.02 A 114 THR C C 13 173.7 0.2 A 114 THR CA C 13 63.5 0.2 A 114 THR CB C 13 69.0 0.2 A 114 THR CG2 C 13 21.5 0.2 A 114 THR N N 15 123.2 0.2 A 115 VAL H H 1 9.01 0.02 A 115 VAL HA H 1 4.60 0.02 A 115 VAL HB H 1 2.29 0.02 A 115 VAL HGx% H 1 1.09 0.02 A 115 VAL HGy% H 1 1.09 0.02 A 115 VAL CA C 13 59.7 0.2 A 115 VAL CB C 13 32.5 0.2 A 115 VAL CGx C 13 20.6 0.2 A 115 VAL CGy C 13 20.6 0.2 A 115 VAL N N 15 129.5 0.2 A 116 PRO HA H 1 4.55 0.02 A 116 PRO HBy H 1 2.21 0.02 A 116 PRO HBx H 1 2.10 0.02 A 116 PRO HDx H 1 3.83 0.02 A 116 PRO HDy H 1 3.83 0.02 A 116 PRO HGy H 1 1.86 0.02 A 116 PRO HGx H 1 1.35 0.02 A 116 PRO C C 13 176.0 0.2 A 116 PRO CA C 13 62.7 0.2 A 116 PRO CB C 13 32.1 0.2 A 116 PRO CD C 13 51.1 0.2 A 116 PRO CG C 13 26.8 0.2 A 117 ARG H H 1 8.38 0.02 A 117 ARG HA H 1 4.45 0.02 A 117 ARG HBx H 1 1.88 0.02 A 117 ARG HBy H 1 1.88 0.02 A 117 ARG HDx H 1 3.23 0.02 A 117 ARG HDy H 1 3.23 0.02 A 117 ARG HGx H 1 1.71 0.02 A 117 ARG HGy H 1 1.71 0.02 A 117 ARG C C 13 175.1 0.2 A 117 ARG CA C 13 55.5 0.2 A 117 ARG CB C 13 31.9 0.2 A 117 ARG CD C 13 43.3 0.2 A 117 ARG CG C 13 26.8 0.2 A 117 ARG N N 15 120.4 0.2 A 118 ALA H H 1 8.42 0.02 A 118 ALA HA H 1 4.26 0.02 A 118 ALA HB% H 1 1.24 0.02 A 118 ALA C C 13 177.5 0.2 A 118 ALA CA C 13 52.0 0.2 A 118 ALA CB C 13 19.3 0.2 A 118 ALA N N 15 126.4 0.2 A 119 THR H H 1 8.12 0.02 A 119 THR HA H 1 4.26 0.02 A 119 THR HB H 1 4.17 0.02 A 119 THR HG2% H 1 1.20 0.02 A 119 THR C C 13 174.4 0.2 A 119 THR CA C 13 61.6 0.2 A 119 THR CB C 13 69.7 0.2 A 119 THR N N 15 113.6 0.2 A 120 LYS H H 1 8.32 0.02 A 120 LYS C C 13 176.0 0.2 A 120 LYS CA C 13 56.4 0.2 A 120 LYS CB C 13 33.1 0.2 A 120 LYS CD C 13 29.1 0.2 A 120 LYS CG C 13 24.4 0.2 A 120 LYS N N 15 122.8 0.2 A 121 ASN H H 1 8.52 0.02 A 121 ASN C C 13 175.1 0.2 A 121 ASN CA C 13 53.2 0.2 A 121 ASN CB C 13 38.7 0.2 A 121 ASN N N 15 119.7 0.2 A 122 MET H H 1 8.38 0.02 A 122 MET C C 13 175.8 0.2 A 122 MET CA C 13 55.5 0.2 A 122 MET CB C 13 32.7 0.2 A 122 MET CG C 13 31.9 0.2 A 122 MET N N 15 121.1 0.2 A 123 ALA H H 1 8.32 0.02 A 123 ALA HA H 1 4.37 0.02 A 123 ALA HB% H 1 1.41 0.02 A 123 ALA C C 13 177.8 0.2 A 123 ALA CA C 13 52.5 0.2 A 123 ALA CB C 13 19.1 0.2 A 123 ALA N N 15 124.8 0.2 A 124 VAL H H 1 8.12 0.02 A 124 VAL HB H 1 2.13 0.02 A 124 VAL HGy% H 1 0.95 0.02 A 124 VAL C C 13 176.0 0.2 A 124 VAL CA C 13 62.3 0.2 A 124 VAL CB C 13 32.8 0.2 A 124 VAL CGy C 13 21.1 0.2 A 124 VAL CGx C 13 20.2 0.2 A 124 VAL N N 15 118.5 0.2 A 125 ASP H H 1 8.40 0.02 A 125 ASP C C 13 176.6 0.2 A 125 ASP CA C 13 54.5 0.2 A 125 ASP CB C 13 41.2 0.2 A 125 ASP N N 15 123.0 0.2 A 126 GLY H H 1 8.28 0.02 A 126 GLY HAx H 1 3.91 0.02 A 126 GLY HAy H 1 3.91 0.02 A 126 GLY C C 13 173.8 0.2 A 126 GLY CA C 13 45.3 0.2 A 126 GLY N N 15 108.7 0.2 A 127 PHE H H 1 8.14 0.02 A 127 PHE HBy H 1 3.91 0.02 A 127 PHE HBx H 1 3.10 0.02 A 127 PHE HDx H 1 7.25 0.02 A 127 PHE HDy H 1 7.25 0.02 A 127 PHE C C 13 175.3 0.2 A 127 PHE CA C 13 57.8 0.2 A 127 PHE CB C 13 39.5 0.2 A 127 PHE CDx C 13 131.9 0.2 A 127 PHE CDy C 13 131.9 0.2 A 127 PHE N N 15 119.9 0.2 A 128 LYS H H 1 8.08 0.02 A 128 LYS CA C 13 53.6 0.2 A 128 LYS CB C 13 32.9 0.2 A 128 LYS N N 15 125.0 0.2 A 129 PRO C C 13 176.5 0.2 A 129 PRO CA C 13 62.8 0.2 A 129 PRO CB C 13 32.2 0.2 A 129 PRO CD C 13 50.6 0.2 A 129 PRO CG C 13 27.3 0.2 A 130 LYS H H 1 8.49 0.02 A 130 LYS CA C 13 54.2 0.2 A 130 LYS CB C 13 32.4 0.2 A 130 LYS N N 15 122.9 0.2 A 131 PRO C C 13 175.9 0.2 A 131 PRO CA C 13 63.4 0.2 A 131 PRO CB C 13 32.0 0.2 A 131 PRO CD C 13 50.6 0.2 A 131 PRO CG C 13 27.3 0.2 A 132 HIS H H 1 7.98 0.02 A 132 HIS HD2 H 1 7.16 0.02 A 132 HIS CA C 13 57.2 0.2 A 132 HIS CB C 13 30.5 0.2 A 132 HIS CD2 C 13 120.1 0.2 A 132 HIS N N 15 123.5 0.2 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 16 GLU HA A 17 GLN HGx 1.0 . 5.07 2 2 A 16 GLU HA A 17 GLN HGy 1.0 . 5.07 3 3 A 18 ILE HG2% A 109 GLU H 1.0 . 4.44 4 4 A 18 ILE HG2% A 18 ILE H 1.0 . 4.26 5 5 A 18 ILE HG2% A 18 ILE HA 1.0 . 3.55 6 6 A 18 ILE HG2% A 109 GLU HA 1.0 . 3.63 7 7 A 18 ILE HG2% A 109 GLU HGy 1.0 . 4.34 8 8 A 18 ILE HG2% A 18 ILE HG1y 1.0 . 3.48 9 9 A 18 ILE HD1% A 19 ARG H 1.0 . 4.16 10 10 A 18 ILE H A 18 ILE HD1% 1.0 . 4.49 11 11 A 109 GLU H A 18 ILE HD1% 1.0 . 4.05 12 12 A 109 GLU HA A 18 ILE HD1% 1.0 . 3.45 13 13 A 18 ILE HD1% A 108 PHE HBy 1.0 . 4.06 14 14 A 18 ILE HD1% A 108 PHE HBx 1.0 . 4.06 15 15 A 18 ILE HD1% A 18 ILE HB 1.0 . 3.51 16 16 A 18 ILE HG2% A 18 ILE HD1% 1.0 . 3.12 17 17 A 18 ILE HD1% A 104 VAL HA 1.0 . 4.55 18 18 A 18 ILE HG1y A 108 PHE H 1.0 . 5.50 19 19 A 18 ILE HG2% A 18 ILE HG1x 1.0 . 4.08 20 20 A 18 ILE HG1x A 17 GLN HA 1.0 . 4.91 21 21 A 18 ILE HG1y A 17 GLN HA 1.0 . 5.04 22 22 A 19 ARG HA A 33 ALA HB% 1.0 . 4.78 23 23 A 20 ILE H A 19 ARG HGx 1.0 . 4.76 24 24 A 20 ILE HB A 20 ILE HD1% 1.0 . 3.57 25 25 A 20 ILE HD1% A 20 ILE HG2% 1.0 . 2.89 26 26 A 20 ILE HD1% A 20 ILE HA 1.0 . 4.51 27 27 A 20 ILE HD1% A 113 PHE HDx 1.0 . 3.68 28 28 A 20 ILE HD1% A 22 PHE HDx 1.0 . 3.66 29 29 A 20 ILE H A 20 ILE HD1% 1.0 . 4.35 30 30 A 113 PHE HDx A 21 PHE HBy 1.0 . 5.10 31 31 A 113 PHE HDx A 21 PHE HBx 1.0 . 5.50 32 32 A 21 PHE HBy A 112 VAL HA 1.0 . 4.37 33 33 A 20 ILE HG2% A 21 PHE HA 1.0 . 5.50 34 34 A 22 PHE HA A 22 PHE HDy 1.0 . 4.32 35 35 A 23 LYS HA A 28 VAL HB 1.0 . 5.09 36 36 A 23 LYS HA A 24 THR HA 1.0 . 4.61 37 37 A 23 LYS HBx A 114 THR HB 1.0 . 4.43 38 38 A 23 LYS HBx A 114 THR HG2% 1.0 . 4.53 39 39 A 114 THR HG2% A 23 LYS HBy 1.0 . 5.02 40 40 A 114 THR HG2% A 23 LYS HDy 1.0 . 4.75 41 41 A 114 THR HG2% A 23 LYS HDx 1.0 . 4.75 42 42 A 23 LYS HBx A 23 LYS HDy 1.0 . 3.95 43 43 A 23 LYS HBx A 23 LYS HDx 1.0 . 3.95 44 44 A 24 THR HA A 115 VAL HB 1.0 . 4.10 45 45 A 24 THR HB A 115 VAL HGx% 1.0 . 5.50 46 46 A 24 THR HB A 115 VAL HGy% 1.0 . 5.50 47 47 A 115 VAL HB A 24 THR HB 1.0 . 4.44 48 48 A 24 THR H A 24 THR HG2% 1.0 . 3.61 49 49 A 24 THR HA A 24 THR HG2% 1.0 . 3.37 50 50 A 23 LYS HA A 24 THR HG2% 1.0 . 4.29 51 51 A 115 VAL HB A 24 THR HG2% 1.0 . 3.82 52 52 A 27 GLN HA A 27 GLN HGx 1.0 . 4.17 53 53 A 28 VAL HB A 27 GLN HA 1.0 . 5.17 54 54 A 22 PHE HDx A 29 VAL HB 1.0 . 5.50 55 55 A 31 ALA HA A 32 LYS H 1.0 . 3.09 56 56 A 20 ILE H A 31 ALA HB% 1.0 . 4.30 57 57 A 32 LYS H A 31 ALA HB% 1.0 . 3.55 58 58 A 22 PHE HDx A 31 ALA HB% 1.0 . 3.40 59 59 A 31 ALA HB% A 22 PHE HEx 1.0 . 3.60 60 60 A 31 ALA HB% A 46 ASN HBy 1.0 . 3.95 61 61 A 31 ALA HB% A 46 ASN HBx 1.0 . 3.95 62 62 A 20 ILE HD1% A 31 ALA HB% 1.0 . 3.66 63 63 A 21 PHE HA A 30 PRO HA 1.0 . 3.73 64 64 A 115 VAL HA A 116 PRO HGy 1.0 . 4.53 65 65 A 115 VAL HA A 116 PRO HGx 1.0 . 4.53 66 66 A 66 ILE HD1% A 116 PRO HGx 1.0 . 4.59 67 67 A 19 ARG HA A 32 LYS HA 1.0 . 4.57 68 68 A 32 LYS H A 32 LYS HBy 1.0 . 4.08 69 69 A 32 LYS H A 32 LYS HGy 1.0 . 4.52 70 70 A 32 LYS H A 32 LYS HGx 1.0 . 4.52 71 71 A 18 ILE H A 33 ALA HB% 1.0 . 4.23 72 72 A 18 ILE HB A 33 ALA HB% 1.0 . 4.81 73 73 A 18 ILE HD1% A 33 ALA HB% 1.0 . 3.50 74 74 A 33 ALA HB% A 104 VAL HGx% 1.0 . 3.74 75 75 A 18 ILE HG1x A 33 ALA HB% 1.0 . 3.14 76 76 A 34 VAL HA A 34 VAL HGx% 1.0 . 4.02 77 77 A 34 VAL HA A 34 VAL HGy% 1.0 . 4.02 78 78 A 35 CYS HA A 104 VAL HGy% 1.0 . 5.50 79 79 A 35 CYS HA A 104 VAL HB 1.0 . 4.80 80 80 A 37 SER HA A 38 THR H 1.0 . 3.32 81 81 A 38 THR HA A 38 THR HG1 1.0 . 4.08 82 82 A 38 THR HA A 103 ARG HA 1.0 . 4.09 83 83 A 38 THR HA A 104 VAL H 1.0 . 4.62 84 84 A 41 ASP H A 41 ASP HBy 1.0 . 4.02 85 85 A 41 ASP H A 41 ASP HBx 1.0 . 4.02 86 86 A 42 VAL H A 41 ASP HBx 1.0 . 4.32 87 87 A 42 VAL H A 41 ASP HBy 1.0 . 4.32 88 88 A 38 THR H A 41 ASP HBy 1.0 . 4.17 89 89 A 38 THR H A 41 ASP HBx 1.0 . 4.17 90 90 A 42 VAL HA A 45 LYS HBx 1.0 . 3.68 91 91 A 39 VAL HA A 42 VAL HB 1.0 . 4.07 92 92 A 22 PHE HDx A 42 VAL HB 1.0 . 4.77 93 93 A 20 ILE HD1% A 42 VAL HB 1.0 . 4.21 94 94 A 20 ILE HD1% A 42 VAL HGx% 1.0 . 3.32 95 95 A 42 VAL HA A 42 VAL HGx% 1.0 . 3.48 96 96 A 33 ALA HA A 42 VAL HGx% 1.0 . 4.44 97 97 A 42 VAL H A 42 VAL HGx% 1.0 . 4.07 98 98 A 43 ALA HB% A 48 VAL HGy% 1.0 . 4.09 99 99 A 43 ALA HB% A 48 VAL HGx% 1.0 . 4.09 100 100 A 22 PHE HDx A 43 ALA HB% 1.0 . 4.83 101 101 A 22 PHE HEx A 43 ALA HB% 1.0 . 4.36 102 102 A 22 PHE HDx A 43 ALA HA 1.0 . 4.40 103 103 A 22 PHE HEx A 43 ALA HA 1.0 . 4.53 104 104 A 43 ALA HA A 50 LEU H 1.0 . 5.50 105 105 A 43 ALA HA A 48 VAL H 1.0 . 4.01 106 106 A 43 ALA HA A 48 VAL HB 1.0 . 3.47 107 107 A 43 ALA HA A 48 VAL HGy% 1.0 . 4.46 108 108 A 45 LYS HBx A 46 ASN H 1.0 . 3.12 109 109 A 45 LYS HBy A 45 LYS HEx 1.0 . 5.11 110 110 A 45 LYS HBy A 45 LYS HEy 1.0 . 5.11 111 111 A 45 LYS HBy A 45 LYS HDx 1.0 . 4.07 112 112 A 45 LYS HA A 45 LYS HGx 1.0 . 4.09 113 113 A 45 LYS HA A 45 LYS HGy 1.0 . 4.09 114 114 A 44 HIS H A 45 LYS HDy 1.0 . 5.50 115 115 A 44 HIS H A 45 LYS HDx 1.0 . 5.50 116 116 A 45 LYS HA A 45 LYS HDx 1.0 . 4.38 117 117 A 45 LYS HBy A 45 LYS HDy 1.0 . 4.07 118 118 A 45 LYS HA A 45 LYS HDy 1.0 . 4.38 119 119 A 50 LEU H A 48 VAL HGy% 1.0 . 5.50 120 120 A 22 PHE HDx A 48 VAL HGy% 1.0 . 4.91 121 121 A 22 PHE HEx A 48 VAL HGy% 1.0 . 5.50 122 122 A 48 VAL HA A 48 VAL HGy% 1.0 . 3.50 123 123 A 50 LEU H A 48 VAL HGx% 1.0 . 5.50 124 124 A 22 PHE HDx A 48 VAL HGx% 1.0 . 4.91 125 125 A 22 PHE HEx A 48 VAL HGx% 1.0 . 5.50 126 126 A 48 VAL HA A 48 VAL HGx% 1.0 . 3.50 127 127 A 43 ALA HA A 48 VAL HGx% 1.0 . 4.46 128 128 A 43 ALA HB% A 48 VAL HB 1.0 . 3.68 129 129 A 48 VAL HA A 29 VAL HGx% 1.0 . 5.18 130 130 A 48 VAL HA A 29 VAL HGy% 1.0 . 5.18 131 131 A 50 LEU H A 49 ASP HBy 1.0 . 4.72 132 132 A 50 LEU H A 49 ASP HBx 1.0 . 4.72 133 133 A 48 VAL HA A 49 ASP HBy 1.0 . 4.84 134 134 A 48 VAL HA A 49 ASP HBx 1.0 . 4.84 135 135 A 50 LEU HA A 50 LEU HG 1.0 . 4.11 136 136 A 65 VAL HB A 113 PHE HDy 1.0 . 5.39 137 137 A 65 VAL HB A 66 ILE H 1.0 . 3.95 138 138 A 65 VAL H A 65 VAL HGy% 1.0 . 5.06 139 139 A 66 ILE H A 65 VAL HGy% 1.0 . 4.84 140 140 A 65 VAL H A 65 VAL HGx% 1.0 . 5.06 141 141 A 66 ILE H A 66 ILE HB 1.0 . 3.96 142 142 A 114 THR HG2% A 66 ILE HB 1.0 . 3.86 143 143 A 66 ILE HG2% A 67 LEU H 1.0 . 3.57 144 144 A 66 ILE H A 66 ILE HG2% 1.0 . 4.10 145 145 A 66 ILE HG2% A 114 THR H 1.0 . 4.25 146 146 A 66 ILE HG2% A 93 THR H 1.0 . 5.50 147 147 A 66 ILE HG2% A 93 THR HB 1.0 . 4.49 148 148 A 114 THR HB A 66 ILE HG2% 1.0 . 3.49 149 149 A 66 ILE HG2% A 67 LEU HBx 1.0 . 4.79 150 150 A 66 ILE HG2% A 67 LEU HA 1.0 . 4.63 151 151 A 66 ILE HD1% A 66 ILE H 1.0 . 3.94 152 152 A 66 ILE HD1% A 116 PRO HA 1.0 . 4.21 153 153 A 114 THR HB A 66 ILE HD1% 1.0 . 3.62 154 154 A 66 ILE HD1% A 116 PRO HBy 1.0 . 4.02 155 155 A 66 ILE HD1% A 116 PRO HBx 1.0 . 4.02 156 156 A 66 ILE HD1% A 116 PRO HGy 1.0 . 4.59 157 157 A 66 ILE HD1% A 66 ILE HB 1.0 . 3.18 158 158 A 114 THR HG2% A 66 ILE HD1% 1.0 . 3.36 159 159 A 67 LEU HBx A 72 TYR HDy 1.0 . 4.84 160 160 A 67 LEU HA A 67 LEU HG 1.0 . 4.21 161 161 A 68 GLU HBy A 70 PRO HDy 1.0 . 4.45 162 162 A 68 GLU HA A 68 GLU HGx 1.0 . 4.08 163 163 A 68 GLU H A 68 GLU HGy 1.0 . 4.31 164 164 A 68 GLU H A 68 GLU HGx 1.0 . 4.31 165 165 A 68 GLU HA A 68 GLU HGy 1.0 . 4.08 166 166 A 112 VAL HA A 68 GLU HGy 1.0 . 5.50 167 167 A 112 VAL HA A 68 GLU HGx 1.0 . 5.50 168 168 A 112 VAL HB A 68 GLU HGy 1.0 . 4.63 169 169 A 112 VAL HB A 68 GLU HGx 1.0 . 4.63 170 170 A 95 THR HG2% A 69 GLU HBx 1.0 . 5.16 171 171 A 95 THR HG2% A 69 GLU HBy 1.0 . 5.16 172 172 A 95 THR HG2% A 69 GLU HA 1.0 . 3.28 173 173 A 69 GLU HA A 72 TYR HBy 1.0 . 4.87 174 174 A 69 GLU HA A 72 TYR HBx 1.0 . 3.75 175 175 A 69 GLU HA A 72 TYR HDx 1.0 . 5.50 176 176 A 69 GLU HA A 72 TYR H 1.0 . 4.32 177 177 A 69 GLU HA A 73 ARG H 1.0 . 4.89 178 178 A 73 ARG H A 70 PRO HA 1.0 . 4.67 179 179 A 70 PRO HA A 73 ARG HBy 1.0 . 3.37 180 180 A 70 PRO HDx A 69 GLU HBy 1.0 . 3.99 181 181 A 70 PRO HDy A 68 GLU HBx 1.0 . 3.55 182 182 A 71 LEU HA A 71 LEU HDy% 1.0 . 4.58 183 183 A 111 ALA HB% A 71 LEU HDy% 1.0 . 3.65 184 184 A 71 LEU HA A 71 LEU HDx% 1.0 . 4.58 185 185 A 108 PHE HA A 71 LEU HDx% 1.0 . 4.15 186 186 A 111 ALA HB% A 71 LEU HDx% 1.0 . 3.65 187 187 A 71 LEU HA A 74 LYS H 1.0 . 4.71 188 188 A 71 LEU HA A 75 LEU H 1.0 . 5.08 189 189 A 72 TYR HBy A 95 THR HB 1.0 . 4.43 190 190 A 67 LEU HBx A 72 TYR HBx 1.0 . 4.80 191 191 A 67 LEU HBx A 72 TYR HBy 1.0 . 4.46 192 192 A 67 LEU HG A 72 TYR HBx 1.0 . 5.13 193 193 A 72 TYR HDy A 72 TYR HA 1.0 . 4.01 194 194 A 75 LEU H A 72 TYR HA 1.0 . 4.30 195 195 A 72 TYR HA A 75 LEU HG 1.0 . 4.20 196 196 A 73 ARG HBy A 74 LYS H 1.0 . 4.13 197 197 A 72 TYR HDx A 73 ARG HBy 1.0 . 4.65 198 198 A 70 PRO HA A 73 ARG HBx 1.0 . 4.20 199 199 A 73 ARG HBx A 74 LYS HA 1.0 . 3.97 200 200 A 74 LYS HA A 74 LYS HDx 1.0 . 5.50 201 201 A 74 LYS HA A 74 LYS HDy 1.0 . 5.50 202 202 A 72 TYR HDx A 73 ARG HA 1.0 . 4.23 203 203 A 73 ARG HA A 73 ARG HDx 1.0 . 5.15 204 204 A 73 ARG HA A 73 ARG HDy 1.0 . 5.15 205 205 A 74 LYS H A 74 LYS HGy 1.0 . 4.35 206 206 A 74 LYS H A 74 LYS HGx 1.0 . 4.35 207 207 A 73 ARG HBx A 74 LYS HGy 1.0 . 4.60 208 208 A 73 ARG HBx A 74 LYS HGx 1.0 . 4.60 209 209 A 75 LEU H A 75 LEU HBy 1.0 . 4.18 210 210 A 75 LEU HG A 75 LEU HA 1.0 . 4.13 211 211 A 75 LEU H A 75 LEU HDx% 1.0 . 4.84 212 212 A 75 LEU H A 75 LEU HDy% 1.0 . 4.84 213 213 A 75 LEU HA A 75 LEU HDx% 1.0 . 3.44 214 214 A 75 LEU HA A 75 LEU HDy% 1.0 . 3.44 215 215 A 77 GLU H A 77 GLU HBy 1.0 . 3.80 216 216 A 78 PRO HDx A 77 GLU HBy 1.0 . 3.95 217 217 A 78 PRO HDx A 77 GLU HBx 1.0 . 3.95 218 218 A 78 PRO HDx A 77 GLU HA 1.0 . 3.23 219 219 A 77 GLU HA A 78 PRO HDy 1.0 . 3.41 220 220 A 77 GLU HA A 78 PRO HGx 1.0 . 5.21 221 221 A 77 GLU HA A 78 PRO HGy 1.0 . 5.21 222 222 A 81 LYS H A 80 ASP HBy 1.0 . 4.30 223 223 A 81 LYS H A 80 ASP HBx 1.0 . 4.30 224 224 A 80 ASP HA A 83 TYR HBx 1.0 . 3.88 225 225 A 80 ASP HA A 83 TYR HBy 1.0 . 3.88 226 226 A 80 ASP HA A 83 TYR HDx 1.0 . 4.22 227 227 A 80 ASP HA A 83 TYR HDy 1.0 . 4.42 228 228 A 83 TYR HA A 86 ILE HB 1.0 . 3.63 229 229 A 83 TYR HA A 86 ILE HD1% 1.0 . 3.74 230 230 A 83 TYR HA A 86 ILE H 1.0 . 4.27 231 231 A 83 TYR HA A 78 PRO HBx 1.0 . 4.41 232 232 A 85 LEU H A 84 ASP HBx 1.0 . 4.53 233 233 A 85 LEU H A 84 ASP HBy 1.0 . 4.53 234 234 A 81 LYS HA A 84 ASP HBy 1.0 . 4.16 235 235 A 81 LYS HA A 84 ASP HBx 1.0 . 4.16 236 236 A 86 ILE HB A 86 ILE H 1.0 . 3.98 237 237 A 86 ILE HG2% A 96 SER H 1.0 . 4.14 238 238 A 86 ILE HG2% A 87 ASP H 1.0 . 4.10 239 239 A 86 ILE H A 86 ILE HG2% 1.0 . 5.09 240 240 A 86 ILE HG2% A 94 GLY H 1.0 . 5.24 241 241 A 93 THR H A 86 ILE HG2% 1.0 . 4.83 242 242 A 86 ILE HG2% A 96 SER HBx 1.0 . 3.61 243 243 A 86 ILE HG2% A 96 SER HBy 1.0 . 4.45 244 244 A 86 ILE HG2% A 86 ILE HA 1.0 . 3.72 245 245 A 83 TYR HDx A 86 ILE HD1% 1.0 . 5.14 246 246 A 86 ILE HD1% A 96 SER H 1.0 . 5.50 247 247 A 86 ILE HD1% A 86 ILE H 1.0 . 4.60 248 248 A 86 ILE HD1% A 87 ASP H 1.0 . 4.93 249 249 A 86 ILE HD1% A 96 SER HBx 1.0 . 4.76 250 250 A 78 PRO HDx A 86 ILE HD1% 1.0 . 5.50 251 251 A 78 PRO HDy A 86 ILE HD1% 1.0 . 5.50 252 252 A 86 ILE HD1% A 86 ILE HA 1.0 . 4.53 253 253 A 86 ILE HB A 86 ILE HD1% 1.0 . 3.71 254 254 A 86 ILE HA A 89 ALA H 1.0 . 4.33 255 255 A 87 ASP H A 87 ASP HBy 1.0 . 3.37 256 256 A 87 ASP H A 87 ASP HBx 1.0 . 3.37 257 257 A 88 GLN H A 87 ASP HBy 1.0 . 4.42 258 258 A 87 ASP HA A 92 ALA HB% 1.0 . 4.25 259 259 A 86 ILE HG2% A 87 ASP HA 1.0 . 3.98 260 260 A 88 GLN H A 88 GLN HGy 1.0 . 4.16 261 261 A 88 GLN H A 88 GLN HGx 1.0 . 4.16 262 262 A 89 ALA H A 88 GLN HGy 1.0 . 5.28 263 263 A 89 ALA H A 88 GLN HGx 1.0 . 5.28 264 264 A 88 GLN HA A 88 GLN HGx 1.0 . 3.77 265 265 A 88 GLN HA A 88 GLN HGy 1.0 . 3.77 266 266 A 89 ALA H A 89 ALA HB% 1.0 . 3.26 267 267 A 88 GLN H A 89 ALA HB% 1.0 . 4.67 268 268 A 86 ILE HA A 89 ALA HB% 1.0 . 3.83 269 269 A 90 PHE HA A 92 ALA H 1.0 . 3.98 270 270 A 90 PHE HA A 91 GLY HAx 1.0 . 4.76 271 271 A 90 PHE HA A 91 GLY HAy 1.0 . 4.76 272 272 A 86 ILE HG2% A 92 ALA HA 1.0 . 4.47 273 273 A 89 ALA H A 92 ALA HB% 1.0 . 4.18 274 274 A 96 SER HBx A 92 ALA HB% 1.0 . 4.66 275 275 A 86 ILE HA A 92 ALA HB% 1.0 . 4.68 276 276 A 86 ILE HG2% A 92 ALA HB% 1.0 . 3.01 277 277 A 72 TYR HEx A 95 THR HA 1.0 . 4.56 278 278 A 95 THR HA A 72 TYR HEy 1.0 . 4.76 279 279 A 72 TYR HDx A 95 THR HA 1.0 . 4.37 280 280 A 72 TYR HDy A 95 THR HA 1.0 . 4.56 281 281 A 67 LEU HG A 95 THR HB 1.0 . 5.15 282 282 A 67 LEU HBx A 95 THR HB 1.0 . 4.26 283 283 A 95 THR HB A 67 LEU HBy 1.0 . 4.54 284 284 A 72 TYR HDx A 95 THR HB 1.0 . 5.27 285 285 A 72 TYR HDy A 95 THR HB 1.0 . 5.45 286 286 A 67 LEU H A 95 THR HB 1.0 . 4.44 287 287 A 95 THR HG2% A 95 THR HA 1.0 . 3.25 288 288 A 95 THR HG2% A 72 TYR HBx 1.0 . 3.78 289 289 A 95 THR HG2% A 72 TYR HBy 1.0 . 3.93 290 290 A 67 LEU HBx A 95 THR HG2% 1.0 . 4.09 291 291 A 95 THR HG2% A 72 TYR HDx 1.0 . 3.99 292 292 A 67 LEU H A 95 THR HG2% 1.0 . 4.61 293 293 A 93 THR H A 96 SER HBy 1.0 . 4.60 294 294 A 96 SER HBx A 97 ARG H 1.0 . 5.19 295 295 A 93 THR HB A 96 SER HBx 1.0 . 4.92 296 296 A 39 VAL HB A 40 LEU HG 1.0 . 5.23 297 297 A 104 VAL H A 103 ARG HBy 1.0 . 4.82 298 298 A 103 ARG H A 103 ARG HGx 1.0 . 5.00 299 299 A 103 ARG H A 103 ARG HGy 1.0 . 5.00 300 300 A 103 ARG HA A 103 ARG HDy 1.0 . 4.37 301 301 A 104 VAL H A 104 VAL HGy% 1.0 . 4.01 302 302 A 108 PHE HDx A 104 VAL HGy% 1.0 . 5.08 303 303 A 33 ALA HA A 104 VAL HGy% 1.0 . 4.92 304 304 A 104 VAL HA A 104 VAL HGy% 1.0 . 3.47 305 305 A 33 ALA HB% A 104 VAL HGy% 1.0 . 3.74 306 306 A 104 VAL H A 104 VAL HGx% 1.0 . 4.01 307 307 A 108 PHE HDx A 104 VAL HGx% 1.0 . 5.08 308 308 A 105 ASP H A 104 VAL HGx% 1.0 . 4.51 309 309 A 33 ALA HA A 104 VAL HGx% 1.0 . 4.92 310 310 A 35 CYS HA A 104 VAL HGx% 1.0 . 5.50 311 311 A 104 VAL HA A 104 VAL HGx% 1.0 . 3.47 312 312 A 104 VAL HB A 36 GLY H 1.0 . 4.45 313 313 A 108 PHE H A 106 LYS HA 1.0 . 4.38 314 314 A 18 ILE HB A 106 LYS HA 1.0 . 4.92 315 315 A 18 ILE HG2% A 106 LYS HA 1.0 . 4.13 316 316 A 18 ILE HD1% A 106 LYS HA 1.0 . 4.62 317 317 A 20 ILE HG2% A 108 PHE HBx 1.0 . 4.56 318 318 A 108 PHE HA A 71 LEU HDy% 1.0 . 4.15 319 319 A 109 GLU H A 109 GLU HBx 1.0 . 3.67 320 320 A 109 GLU H A 109 GLU HGx 1.0 . 4.82 321 321 A 109 GLU H A 109 GLU HGy 1.0 . 5.14 322 322 A 109 GLU HGx A 110 ASN HD2y 1.0 . 4.72 323 323 A 109 GLU HA A 109 GLU HGy 1.0 . 3.84 324 324 A 109 GLU HA A 110 ASN HA 1.0 . 4.51 325 325 A 109 GLU HA A 18 ILE HB 1.0 . 4.49 326 326 A 109 GLU HA A 20 ILE HG2% 1.0 . 4.59 327 327 A 109 GLU HGy A 18 ILE HD1% 1.0 . 4.86 328 328 A 109 GLU HGy A 18 ILE HG1x 1.0 . 5.40 329 329 A 109 GLU HGy A 18 ILE HB 1.0 . 4.16 330 330 A 110 ASN HD2y A 110 ASN HBx 1.0 . 4.05 331 331 A 109 GLU H A 110 ASN HBy 1.0 . 5.50 332 332 A 111 ALA HB% A 108 PHE HA 1.0 . 3.47 333 333 A 111 ALA HB% A 108 PHE HBy 1.0 . 4.69 334 334 A 111 ALA HB% A 108 PHE HBx 1.0 . 4.69 335 335 A 20 ILE HB A 111 ALA HB% 1.0 . 4.28 336 336 A 20 ILE HG2% A 111 ALA HB% 1.0 . 3.17 337 337 A 21 PHE HBx A 112 VAL HGx% 1.0 . 3.88 338 338 A 112 VAL HA A 112 VAL HGx% 1.0 . 3.31 339 339 A 113 PHE H A 112 VAL HGx% 1.0 . 4.32 340 340 A 112 VAL H A 112 VAL HGy% 1.0 . 4.05 341 341 A 112 VAL HA A 112 VAL HGy% 1.0 . 3.31 342 342 A 21 PHE HBx A 112 VAL HGy% 1.0 . 3.88 343 343 A 21 PHE HBx A 112 VAL HA 1.0 . 3.63 344 344 A 112 VAL HA A 113 PHE H 1.0 . 3.25 345 345 A 113 PHE HDx A 112 VAL HA 1.0 . 4.40 346 346 A 114 THR HB A 115 VAL H 1.0 . 4.97 347 347 A 114 THR HB A 66 ILE HB 1.0 . 3.50 348 348 A 114 THR HG2% A 114 THR HA 1.0 . 3.36 349 349 A 23 LYS HBy A 114 THR HA 1.0 . 3.92 350 350 A 23 LYS HBx A 114 THR HA 1.0 . 3.66 351 351 A 115 VAL H A 114 THR HA 1.0 . 3.16 352 352 A 115 VAL HA A 115 VAL HGx% 1.0 . 4.01 353 353 A 115 VAL HA A 115 VAL HGy% 1.0 . 4.01 354 354 A 115 VAL HA A 116 PRO HDx 1.0 . 3.57 355 355 A 115 VAL HA A 116 PRO HDy 1.0 . 3.57 356 356 A 115 VAL HA A 66 ILE H 1.0 . 4.78 357 357 A 114 THR HG2% A 115 VAL HA 1.0 . 3.98 358 358 A 116 PRO HA A 117 ARG H 1.0 . 3.57 359 359 A 114 THR HG2% A 116 PRO HA 1.0 . 4.51 360 360 A 31 ALA H A 30 PRO HBx 1.0 . 4.41 361 361 A 117 ARG HA A 117 ARG HDx 1.0 . 5.17 362 362 A 117 ARG HA A 117 ARG HDy 1.0 . 5.17 363 363 A 119 THR HA A 119 THR HG2% 1.0 . 3.42 364 364 A 104 VAL HA A 108 PHE HDx 1.0 . 4.61 365 365 A 20 ILE HB A 113 PHE HDx 1.0 . 4.62 366 366 A 14 ILE HG2% A 15 PRO HDy 1.0 . 3.91 367 367 A 35 CYS HA A 14 ILE HG2% 1.0 . 3.55 368 368 A 14 ILE HG2% A 14 ILE HG1y 1.0 . 3.62 369 369 A 35 CYS HA A 14 ILE HD1% 1.0 . 4.72 370 370 A 14 ILE HD1% A 14 ILE HB 1.0 . 3.61 371 371 A 14 ILE HG2% A 15 PRO HDx 1.0 . 3.91 372 372 A 70 PRO HDx A 69 GLU HBx 1.0 . 3.99 373 373 A 14 ILE HG2% A 15 PRO HGx 1.0 . 4.40 374 374 A 14 ILE HG2% A 15 PRO HGy 1.0 . 4.40 375 375 A 35 CYS HA A 14 ILE HB 1.0 . 4.49 376 376 A 14 ILE HG2% A 14 ILE HG1x 1.0 . 3.62 377 377 A 66 ILE H A 66 ILE HG1x 1.0 . 4.69 378 378 A 23 LYS HA A 28 VAL HGy% 1.0 . 4.16 379 379 A 29 VAL H A 28 VAL HGy% 1.0 . 4.25 380 380 A 23 LYS HA A 28 VAL HGx% 1.0 . 4.16 381 381 A 17 GLN HA A 34 VAL HA 1.0 . 3.89 382 382 A 17 GLN HA A 14 ILE HG2% 1.0 . 4.74 383 383 A 103 ARG HA A 103 ARG HDx 1.0 . 4.37 384 384 A 117 ARG HA A 117 ARG HGx 1.0 . 4.21 385 385 A 117 ARG HA A 117 ARG HGy 1.0 . 4.21 386 386 A 117 ARG HA A 118 ALA HB% 1.0 . 4.60 387 387 A 77 GLU HA A 78 PRO HA 1.0 . 4.57 388 388 A 78 PRO HBx A 83 TYR H 1.0 . 5.09 389 389 A 93 THR H A 93 THR HB 1.0 . 3.40 390 390 A 93 THR HB A 96 SER HBy 1.0 . 3.94 391 391 A 93 THR HB A 96 SER H 1.0 . 3.93 392 392 A 73 ARG H A 73 ARG HGy 1.0 . 4.64 393 393 A 74 LYS H A 73 ARG HGy 1.0 . 5.31 394 394 A 74 LYS H A 73 ARG HGx 1.0 . 5.31 395 395 A 73 ARG HA A 73 ARG HGx 1.0 . 3.74 396 396 A 73 ARG HA A 73 ARG HGy 1.0 . 3.74 397 397 A 42 VAL H A 42 VAL HGy% 1.0 . 4.07 398 398 A 33 ALA HA A 42 VAL HGy% 1.0 . 4.44 399 399 A 42 VAL HA A 42 VAL HGy% 1.0 . 3.48 400 400 A 20 ILE HD1% A 42 VAL HGy% 1.0 . 3.32 401 401 A 70 PRO HDx A 69 GLU HGy 1.0 . 4.73 402 402 A 70 PRO HDx A 69 GLU HGx 1.0 . 4.73 403 403 A 70 PRO HDy A 69 GLU HGy 1.0 . 5.33 404 404 A 70 PRO HDy A 69 GLU HGx 1.0 . 5.33 405 405 A 95 THR HG2% A 69 GLU HGx 1.0 . 4.01 406 406 A 95 THR HG2% A 69 GLU HGy 1.0 . 4.01 407 407 A 78 PRO HDx A 77 GLU HGx 1.0 . 5.22 408 408 A 78 PRO HDx A 77 GLU HGy 1.0 . 5.22 409 409 A 102 LEU HBy A 102 LEU HDx% 1.0 . 4.13 410 410 A 102 LEU HBy A 102 LEU HDy% 1.0 . 4.13 411 411 A 102 LEU HDx% A 102 LEU HBx 1.0 . 4.13 412 412 A 102 LEU HBx A 102 LEU HDy% 1.0 . 4.13 413 413 A 25 MET HA A 25 MET HE% 1.0 . 4.22 414 414 A 81 LYS HA A 81 LYS HDx 1.0 . 5.50 415 415 A 81 LYS HA A 81 LYS HDy 1.0 . 5.50 416 416 A 68 GLU H A 67 LEU HDx% 1.0 . 4.52 417 417 A 67 LEU HA A 67 LEU HDx% 1.0 . 3.94 418 418 A 114 THR HB A 67 LEU HDx% 1.0 . 5.27 419 419 A 67 LEU HG A 72 TYR H 1.0 . 4.39 420 420 A 67 LEU H A 67 LEU HG 1.0 . 4.73 421 421 A 72 TYR HDy A 67 LEU HG 1.0 . 4.33 422 422 A 67 LEU HG A 72 TYR HA 1.0 . 4.57 423 423 A 67 LEU HG A 72 TYR HBy 1.0 . 4.21 424 424 A 20 ILE HG2% A 108 PHE HDx 1.0 . 4.38 425 425 A 20 ILE HG2% A 20 ILE HA 1.0 . 3.53 426 426 A 20 ILE HG2% A 108 PHE HBy 1.0 . 4.56 427 427 A 18 ILE HD1% A 20 ILE HG2% 1.0 . 3.13 428 428 A 20 ILE HG2% A 110 ASN H 1.0 . 4.27 429 429 A 42 VAL H A 39 VAL HA 1.0 . 4.16 430 430 A 20 ILE HD1% A 39 VAL HA 1.0 . 3.71 431 431 A 39 VAL HB A 40 LEU H 1.0 . 4.43 432 432 A 40 LEU H A 39 VAL HGx% 1.0 . 5.24 433 433 A 40 LEU H A 39 VAL HGy% 1.0 . 5.24 434 434 A 83 TYR HDx A 83 TYR H 1.0 . 5.49 435 435 A 83 TYR HDy A 83 TYR H 1.0 . 5.50 436 436 A 83 TYR HDx A 83 TYR HA 1.0 . 4.78 437 437 A 83 TYR HDy A 83 TYR HA 1.0 . 5.31 438 438 A 18 ILE HD1% A 108 PHE HDx 1.0 . 4.78 439 439 A 12 ASP H A 13 ARG H 1.0 . 3.72 440 440 A 14 ILE H A 15 PRO HDy 1.0 . 4.95 441 441 A 14 ILE H A 15 PRO HDx 1.0 . 4.95 442 442 A 14 ILE HB A 14 ILE H 1.0 . 3.05 443 443 A 14 ILE HG2% A 14 ILE H 1.0 . 3.93 444 444 A 13 ARG H A 14 ILE H 1.0 . 4.18 445 445 A 15 PRO HA A 16 GLU H 1.0 . 2.80 446 446 A 16 GLU H A 15 PRO HBy 1.0 . 3.86 447 447 A 14 ILE HG2% A 16 GLU H 1.0 . 5.29 448 448 A 16 GLU H A 15 PRO HBx 1.0 . 3.86 449 449 A 18 ILE H A 17 GLN H 1.0 . 4.76 450 450 A 16 GLU HA A 17 GLN H 1.0 . 2.88 451 451 A 14 ILE HG2% A 17 GLN H 1.0 . 5.50 452 452 A 18 ILE H A 33 ALA H 1.0 . 4.30 453 453 A 18 ILE H A 17 GLN HA 1.0 . 3.24 454 454 A 18 ILE H A 34 VAL HA 1.0 . 4.57 455 455 A 18 ILE H A 18 ILE HG1y 1.0 . 4.09 456 456 A 18 ILE H A 18 ILE HG1x 1.0 . 3.94 457 457 A 19 ARG H A 20 ILE H 1.0 . 4.81 458 458 A 18 ILE HA A 19 ARG H 1.0 . 3.11 459 459 A 109 GLU HGy A 19 ARG H 1.0 . 4.26 460 460 A 19 ARG H A 19 ARG HBx 1.0 . 3.99 461 461 A 19 ARG H A 19 ARG HBy 1.0 . 3.99 462 462 A 19 ARG H A 18 ILE HB 1.0 . 3.95 463 463 A 18 ILE HG2% A 19 ARG H 1.0 . 3.76 464 464 A 19 ARG H A 18 ILE HG1x 1.0 . 4.61 465 465 A 18 ILE HG1y A 19 ARG H 1.0 . 5.45 466 466 A 19 ARG H A 33 ALA HB% 1.0 . 5.50 467 467 A 20 ILE H A 31 ALA H 1.0 . 4.03 468 468 A 19 ARG HA A 20 ILE H 1.0 . 3.06 469 469 A 20 ILE H A 31 ALA HA 1.0 . 5.32 470 470 A 20 ILE H A 19 ARG HBy 1.0 . 4.53 471 471 A 20 ILE H A 19 ARG HBx 1.0 . 4.53 472 472 A 20 ILE H A 19 ARG HGy 1.0 . 4.76 473 473 A 33 ALA HB% A 20 ILE H 1.0 . 4.50 474 474 A 20 ILE H A 20 ILE HG1y 1.0 . 3.87 475 475 A 20 ILE H A 20 ILE HG1x 1.0 . 3.87 476 476 A 18 ILE HD1% A 20 ILE H 1.0 . 4.84 477 477 A 113 PHE HDx A 21 PHE H 1.0 . 4.09 478 478 A 20 ILE HA A 21 PHE H 1.0 . 3.45 479 479 A 112 VAL HA A 21 PHE H 1.0 . 4.17 480 480 A 21 PHE HBx A 21 PHE H 1.0 . 3.89 481 481 A 20 ILE HB A 21 PHE H 1.0 . 3.46 482 482 A 111 ALA HB% A 21 PHE H 1.0 . 4.59 483 483 A 20 ILE HG2% A 21 PHE H 1.0 . 3.84 484 484 A 20 ILE HD1% A 21 PHE H 1.0 . 4.56 485 485 A 22 PHE HDx A 22 PHE H 1.0 . 4.28 486 486 A 21 PHE HA A 22 PHE H 1.0 . 3.16 487 487 A 30 PRO HA A 22 PHE H 1.0 . 4.57 488 488 A 29 VAL HB A 22 PHE H 1.0 . 4.91 489 489 A 21 PHE HBx A 22 PHE H 1.0 . 3.87 490 490 A 115 VAL H A 23 LYS H 1.0 . 4.38 491 491 A 22 PHE HA A 23 LYS H 1.0 . 3.31 492 492 A 114 THR HA A 23 LYS H 1.0 . 4.00 493 493 A 23 LYS HBx A 23 LYS H 1.0 . 4.19 494 494 A 23 LYS HBy A 23 LYS H 1.0 . 4.06 495 495 A 114 THR HG2% A 23 LYS H 1.0 . 5.11 496 496 A 23 LYS HA A 24 THR H 1.0 . 3.02 497 497 A 23 LYS HBx A 24 THR H 1.0 . 4.54 498 498 A 24 THR HB A 25 MET H 1.0 . 4.24 499 499 A 115 VAL HB A 25 MET H 1.0 . 4.71 500 500 A 24 THR H A 27 GLN H 1.0 . 3.98 501 501 A 27 GLN H A 26 LYS H 1.0 . 3.44 502 502 A 27 GLN HGx A 27 GLN H 1.0 . 3.79 503 503 A 27 GLN H A 27 GLN HGy 1.0 . 4.20 504 504 A 27 GLN H A 27 GLN HBy 1.0 . 4.08 505 505 A 27 GLN H A 27 GLN HBx 1.0 . 4.08 506 506 A 24 THR HG2% A 27 GLN H 1.0 . 4.39 507 507 A 29 VAL H A 28 VAL H 1.0 . 4.70 508 508 A 27 GLN HA A 28 VAL H 1.0 . 3.09 509 509 A 27 GLN HGy A 28 VAL H 1.0 . 4.07 510 510 A 28 VAL HB A 28 VAL H 1.0 . 3.40 511 511 A 29 VAL H A 22 PHE H 1.0 . 3.82 512 512 A 23 LYS HA A 29 VAL H 1.0 . 3.91 513 513 A 29 VAL HB A 29 VAL H 1.0 . 3.62 514 514 A 28 VAL HB A 29 VAL H 1.0 . 4.56 515 515 A 24 THR HG2% A 29 VAL H 1.0 . 4.76 516 516 A 29 VAL H A 28 VAL HGx% 1.0 . 4.25 517 517 A 21 PHE HA A 31 ALA H 1.0 . 4.09 518 518 A 30 PRO HA A 31 ALA H 1.0 . 3.20 519 519 A 19 ARG HA A 31 ALA H 1.0 . 5.50 520 520 A 31 ALA H A 30 PRO HBy 1.0 . 4.41 521 521 A 31 ALA HB% A 31 ALA H 1.0 . 3.44 522 522 A 32 LYS H A 32 LYS HBx 1.0 . 4.08 523 523 A 19 ARG HA A 33 ALA H 1.0 . 4.45 524 524 A 32 LYS HA A 33 ALA H 1.0 . 2.98 525 525 A 33 ALA H A 32 LYS HBx 1.0 . 4.58 526 526 A 33 ALA H A 32 LYS HBy 1.0 . 4.58 527 527 A 33 ALA HB% A 33 ALA H 1.0 . 3.20 528 528 A 18 ILE HG1x A 33 ALA H 1.0 . 4.69 529 529 A 33 ALA HA A 34 VAL H 1.0 . 3.18 530 530 A 34 VAL H A 34 VAL HB 1.0 . 3.37 531 531 A 33 ALA HB% A 34 VAL H 1.0 . 3.48 532 532 A 17 GLN HA A 35 CYS H 1.0 . 4.22 533 533 A 34 VAL HA A 35 CYS H 1.0 . 3.08 534 534 A 34 VAL HB A 35 CYS H 1.0 . 4.81 535 535 A 104 VAL H A 36 GLY H 1.0 . 4.67 536 536 A 35 CYS HA A 36 GLY H 1.0 . 3.29 537 537 A 36 GLY H A 104 VAL HGy% 1.0 . 4.62 538 538 A 36 GLY H A 104 VAL HGx% 1.0 . 4.62 539 539 A 36 GLY H A 37 SER H 1.0 . 3.44 540 540 A 38 THR H A 37 SER H 1.0 . 4.53 541 541 A 104 VAL H A 37 SER H 1.0 . 4.48 542 542 A 35 CYS HA A 37 SER H 1.0 . 4.14 543 543 A 104 VAL HB A 37 SER H 1.0 . 3.91 544 544 A 14 ILE HG2% A 37 SER H 1.0 . 4.39 545 545 A 38 THR H A 38 THR HG1 1.0 . 3.76 546 546 A 41 ASP H A 42 VAL H 1.0 . 4.22 547 547 A 42 VAL H A 42 VAL HB 1.0 . 3.82 548 548 A 20 ILE HD1% A 42 VAL H 1.0 . 5.27 549 549 A 43 ALA H A 45 LYS H 1.0 . 4.42 550 550 A 22 PHE HDx A 43 ALA H 1.0 . 5.50 551 551 A 42 VAL HB A 43 ALA H 1.0 . 3.77 552 552 A 43 ALA HB% A 43 ALA H 1.0 . 3.09 553 553 A 20 ILE HD1% A 43 ALA H 1.0 . 5.50 554 554 A 44 HIS H A 45 LYS H 1.0 . 3.57 555 555 A 46 ASN H A 44 HIS H 1.0 . 4.45 556 556 A 46 ASN H A 47 GLY H 1.0 . 3.20 557 557 A 43 ALA HA A 46 ASN H 1.0 . 4.49 558 558 A 46 ASN H A 46 ASN HBy 1.0 . 3.72 559 559 A 46 ASN H A 46 ASN HBx 1.0 . 3.72 560 560 A 43 ALA HB% A 46 ASN H 1.0 . 4.87 561 561 A 48 VAL H A 47 GLY H 1.0 . 3.36 562 562 A 44 HIS H A 47 GLY H 1.0 . 4.80 563 563 A 47 GLY H A 46 ASN HBy 1.0 . 4.89 564 564 A 47 GLY H A 46 ASN HBx 1.0 . 4.89 565 565 A 48 VAL HB A 47 GLY H 1.0 . 4.94 566 566 A 48 VAL H A 46 ASN H 1.0 . 4.09 567 567 A 48 VAL H A 48 VAL HB 1.0 . 3.24 568 568 A 43 ALA HB% A 48 VAL H 1.0 . 4.14 569 569 A 48 VAL H A 48 VAL HGx% 1.0 . 4.03 570 570 A 48 VAL H A 48 VAL HGy% 1.0 . 4.03 571 571 A 48 VAL H A 49 ASP H 1.0 . 4.64 572 572 A 48 VAL HA A 49 ASP H 1.0 . 2.90 573 573 A 49 ASP H A 49 ASP HBy 1.0 . 3.35 574 574 A 49 ASP H A 49 ASP HBx 1.0 . 3.35 575 575 A 48 VAL HB A 49 ASP H 1.0 . 4.45 576 576 A 49 ASP H A 48 VAL HGx% 1.0 . 4.16 577 577 A 49 ASP H A 48 VAL HGy% 1.0 . 4.16 578 578 A 50 LEU H A 49 ASP H 1.0 . 4.39 579 579 A 50 LEU H A 49 ASP HA 1.0 . 2.76 580 580 A 43 ALA HB% A 50 LEU H 1.0 . 3.98 581 581 A 66 ILE H A 65 VAL H 1.0 . 4.97 582 582 A 114 THR HB A 66 ILE H 1.0 . 4.55 583 583 A 66 ILE H A 65 VAL HGx% 1.0 . 4.84 584 584 A 66 ILE H A 66 ILE HG1y 1.0 . 4.69 585 585 A 67 LEU H A 93 THR HB 1.0 . 5.50 586 586 A 114 THR HB A 67 LEU H 1.0 . 4.93 587 587 A 67 LEU H A 67 LEU HBx 1.0 . 3.76 588 588 A 68 GLU H A 68 GLU HBx 1.0 . 4.09 589 589 A 68 GLU H A 67 LEU HBy 1.0 . 4.63 590 590 A 67 LEU HBx A 68 GLU H 1.0 . 4.37 591 591 A 68 GLU HA A 69 GLU H 1.0 . 3.29 592 592 A 70 PRO HDx A 69 GLU H 1.0 . 3.95 593 593 A 70 PRO HDy A 69 GLU H 1.0 . 4.08 594 594 A 69 GLU H A 69 GLU HBy 1.0 . 3.41 595 595 A 69 GLU H A 69 GLU HBx 1.0 . 3.41 596 596 A 95 THR HG2% A 69 GLU H 1.0 . 4.77 597 597 A 72 TYR H A 71 LEU H 1.0 . 3.32 598 598 A 70 PRO HDx A 71 LEU H 1.0 . 4.71 599 599 A 70 PRO HDy A 71 LEU H 1.0 . 4.30 600 600 A 71 LEU H A 70 PRO HGy 1.0 . 4.00 601 601 A 68 GLU HBx A 71 LEU H 1.0 . 3.92 602 602 A 71 LEU H A 70 PRO HGx 1.0 . 4.00 603 603 A 71 LEU H A 71 LEU HBy 1.0 . 3.43 604 604 A 71 LEU H A 71 LEU HBx 1.0 . 3.43 605 605 A 71 LEU H A 71 LEU HG 1.0 . 4.78 606 606 A 71 LEU H A 71 LEU HDx% 1.0 . 4.35 607 607 A 71 LEU H A 71 LEU HDy% 1.0 . 4.35 608 608 A 72 TYR HBx A 72 TYR H 1.0 . 3.78 609 609 A 72 TYR HBy A 72 TYR H 1.0 . 3.92 610 610 A 95 THR HG2% A 72 TYR H 1.0 . 4.72 611 611 A 72 TYR H A 73 ARG H 1.0 . 3.79 612 612 A 73 ARG H A 74 LYS H 1.0 . 3.52 613 613 A 72 TYR HDx A 73 ARG H 1.0 . 4.33 614 614 A 72 TYR HBx A 73 ARG H 1.0 . 3.82 615 615 A 72 TYR HBy A 73 ARG H 1.0 . 4.22 616 616 A 73 ARG H A 73 ARG HBx 1.0 . 3.50 617 617 A 73 ARG H A 73 ARG HBy 1.0 . 3.38 618 618 A 73 ARG H A 73 ARG HGx 1.0 . 4.64 619 619 A 74 LYS H A 73 ARG HBx 1.0 . 3.15 620 620 A 74 LYS H A 74 LYS HDx 1.0 . 5.19 621 621 A 74 LYS H A 74 LYS HDy 1.0 . 5.19 622 622 A 75 LEU H A 75 LEU HBx 1.0 . 4.18 623 623 A 75 LEU H A 75 LEU HG 1.0 . 4.21 624 624 A 77 GLU H A 76 GLY H 1.0 . 4.34 625 625 A 75 LEU H A 76 GLY H 1.0 . 3.28 626 626 A 76 GLY H A 75 LEU HBy 1.0 . 4.34 627 627 A 76 GLY H A 75 LEU HBx 1.0 . 4.34 628 628 A 76 GLY H A 75 LEU HDx% 1.0 . 5.50 629 629 A 76 GLY H A 75 LEU HDy% 1.0 . 5.50 630 630 A 77 GLU H A 76 GLY HAy 1.0 . 3.15 631 631 A 77 GLU H A 76 GLY HAx 1.0 . 3.15 632 632 A 77 GLU H A 77 GLU HGx 1.0 . 3.83 633 633 A 77 GLU H A 77 GLU HGy 1.0 . 3.83 634 634 A 77 GLU H A 77 GLU HBx 1.0 . 3.80 635 635 A 83 TYR H A 79 SER H 1.0 . 5.26 636 636 A 79 SER H A 82 GLU H 1.0 . 4.62 637 637 A 78 PRO HA A 79 SER H 1.0 . 3.13 638 638 A 78 PRO HBx A 79 SER H 1.0 . 4.21 639 639 A 81 LYS H A 80 ASP H 1.0 . 3.55 640 640 A 79 SER H A 80 ASP H 1.0 . 4.74 641 641 A 82 GLU H A 80 ASP H 1.0 . 4.95 642 642 A 80 ASP H A 79 SER HA 1.0 . 2.88 643 643 A 80 ASP H A 79 SER HBx 1.0 . 3.77 644 644 A 80 ASP H A 79 SER HBy 1.0 . 3.77 645 645 A 80 ASP H A 80 ASP HBy 1.0 . 3.63 646 646 A 80 ASP H A 80 ASP HBx 1.0 . 3.63 647 647 A 81 LYS H A 82 GLU H 1.0 . 4.00 648 648 A 81 LYS H A 81 LYS HBy 1.0 . 3.70 649 649 A 81 LYS H A 81 LYS HBx 1.0 . 3.70 650 650 A 83 TYR H A 82 GLU H 1.0 . 3.78 651 651 A 80 ASP HA A 83 TYR H 1.0 . 4.36 652 652 A 83 TYR H A 83 TYR HBx 1.0 . 3.55 653 653 A 83 TYR H A 83 TYR HBy 1.0 . 3.55 654 654 A 83 TYR H A 84 ASP H 1.0 . 3.68 655 655 A 85 LEU H A 84 ASP H 1.0 . 3.95 656 656 A 81 LYS HA A 84 ASP H 1.0 . 4.27 657 657 A 84 ASP H A 83 TYR HBx 1.0 . 3.92 658 658 A 84 ASP H A 83 TYR HBy 1.0 . 3.92 659 659 A 84 ASP H A 84 ASP HBy 1.0 . 3.60 660 660 A 84 ASP H A 84 ASP HBx 1.0 . 3.60 661 661 A 86 ILE H A 85 LEU H 1.0 . 4.60 662 662 A 86 ILE H A 87 ASP H 1.0 . 4.07 663 663 A 87 ASP H A 88 GLN H 1.0 . 4.01 664 664 A 86 ILE HB A 87 ASP H 1.0 . 3.95 665 665 A 88 GLN H A 87 ASP HBx 1.0 . 4.42 666 666 A 88 GLN H A 88 GLN HBy 1.0 . 3.87 667 667 A 88 GLN H A 88 GLN HBx 1.0 . 3.87 668 668 A 89 ALA H A 88 GLN H 1.0 . 3.33 669 669 A 89 ALA H A 88 GLN HBy 1.0 . 5.15 670 670 A 89 ALA H A 88 GLN HBx 1.0 . 5.15 671 671 A 89 ALA HB% A 90 PHE H 1.0 . 3.68 672 672 A 90 PHE H A 90 PHE HBx 1.0 . 3.66 673 673 A 90 PHE H A 90 PHE HBy 1.0 . 3.66 674 674 A 90 PHE H A 89 ALA HA 1.0 . 3.17 675 675 A 92 ALA H A 90 PHE H 1.0 . 4.93 676 676 A 89 ALA H A 90 PHE H 1.0 . 4.84 677 677 A 90 PHE HA A 91 GLY H 1.0 . 3.07 678 678 A 91 GLY H A 90 PHE HBy 1.0 . 4.60 679 679 A 91 GLY H A 90 PHE HBx 1.0 . 4.60 680 680 A 92 ALA HB% A 91 GLY H 1.0 . 4.66 681 681 A 92 ALA H A 91 GLY H 1.0 . 3.50 682 682 A 92 ALA HB% A 92 ALA H 1.0 . 2.91 683 683 A 89 ALA HB% A 92 ALA H 1.0 . 4.27 684 684 A 93 THR H A 95 THR H 1.0 . 5.30 685 685 A 97 ARG H A 95 THR H 1.0 . 5.50 686 686 A 94 GLY H A 95 THR H 1.0 . 4.13 687 687 A 96 SER H A 95 THR H 1.0 . 3.22 688 688 A 96 SER HBx A 95 THR H 1.0 . 5.33 689 689 A 86 ILE HG2% A 95 THR H 1.0 . 4.82 690 690 A 95 THR HG2% A 95 THR H 1.0 . 3.73 691 691 A 96 SER H A 97 ARG H 1.0 . 4.15 692 692 A 96 SER H A 96 SER HBy 1.0 . 3.87 693 693 A 96 SER H A 96 SER HBx 1.0 . 3.55 694 694 A 103 ARG H A 102 LEU HBy 1.0 . 5.03 695 695 A 103 ARG H A 103 ARG HBy 1.0 . 3.74 696 696 A 103 ARG H A 103 ARG HBx 1.0 . 3.74 697 697 A 103 ARG H A 102 LEU HBx 1.0 . 5.03 698 698 A 103 ARG HA A 104 VAL H 1.0 . 3.16 699 699 A 104 VAL HB A 104 VAL H 1.0 . 3.53 700 700 A 104 VAL H A 103 ARG HBx 1.0 . 4.82 701 701 A 108 PHE H A 105 ASP H 1.0 . 4.45 702 702 A 104 VAL H A 105 ASP H 1.0 . 4.95 703 703 A 108 PHE HDx A 105 ASP H 1.0 . 4.08 704 704 A 109 GLU H A 105 ASP H 1.0 . 5.50 705 705 A 104 VAL HB A 105 ASP H 1.0 . 4.27 706 706 A 104 VAL HA A 105 ASP H 1.0 . 3.16 707 707 A 105 ASP H A 104 VAL HGy% 1.0 . 4.51 708 708 A 18 ILE HD1% A 105 ASP H 1.0 . 4.20 709 709 A 105 ASP HBy A 106 LYS H 1.0 . 3.96 710 710 A 106 LYS H A 105 ASP HBx 1.0 . 3.96 711 711 A 106 LYS H A 107 SER H 1.0 . 3.77 712 712 A 109 GLU H A 107 SER H 1.0 . 4.95 713 713 A 108 PHE H A 107 SER H 1.0 . 3.73 714 714 A 108 PHE H A 108 PHE HDy 1.0 . 3.70 715 715 A 109 GLU H A 108 PHE H 1.0 . 3.44 716 716 A 108 PHE H A 108 PHE HBy 1.0 . 3.85 717 717 A 108 PHE H A 108 PHE HBx 1.0 . 3.85 718 718 A 18 ILE HD1% A 108 PHE H 1.0 . 4.15 719 719 A 109 GLU H A 109 GLU HBy 1.0 . 3.67 720 720 A 109 GLU H A 110 ASN H 1.0 . 4.73 721 721 A 20 ILE HA A 110 ASN H 1.0 . 4.77 722 722 A 109 GLU HA A 110 ASN H 1.0 . 3.37 723 723 A 109 GLU HGx A 110 ASN H 1.0 . 4.32 724 724 A 109 GLU HGy A 110 ASN H 1.0 . 4.61 725 725 A 18 ILE HG2% A 110 ASN H 1.0 . 5.02 726 726 A 18 ILE HD1% A 110 ASN H 1.0 . 4.85 727 727 A 110 ASN H A 111 ALA H 1.0 . 3.48 728 728 A 20 ILE HA A 111 ALA H 1.0 . 4.37 729 729 A 109 GLU HA A 111 ALA H 1.0 . 4.04 730 730 A 20 ILE HB A 111 ALA H 1.0 . 4.79 731 731 A 111 ALA HB% A 111 ALA H 1.0 . 2.84 732 732 A 20 ILE HG2% A 111 ALA H 1.0 . 3.66 733 733 A 18 ILE HD1% A 111 ALA H 1.0 . 4.59 734 734 A 112 VAL H A 111 ALA H 1.0 . 4.72 735 735 A 113 PHE H A 112 VAL H 1.0 . 4.69 736 736 A 112 VAL H A 111 ALA HA 1.0 . 2.99 737 737 A 68 GLU HBx A 112 VAL H 1.0 . 5.19 738 738 A 112 VAL HB A 112 VAL H 1.0 . 3.47 739 739 A 111 ALA HB% A 112 VAL H 1.0 . 3.44 740 740 A 112 VAL H A 112 VAL HGx% 1.0 . 4.05 741 741 A 113 PHE HDx A 113 PHE H 1.0 . 4.14 742 742 A 113 PHE H A 113 PHE HBy 1.0 . 4.14 743 743 A 113 PHE H A 113 PHE HBx 1.0 . 4.14 744 744 A 113 PHE H A 112 VAL HGy% 1.0 . 4.32 745 745 A 66 ILE H A 114 THR H 1.0 . 4.62 746 746 A 114 THR H A 115 VAL H 1.0 . 5.07 747 747 A 114 THR H A 113 PHE HA 1.0 . 3.13 748 748 A 114 THR HB A 114 THR H 1.0 . 3.65 749 749 A 66 ILE HB A 114 THR H 1.0 . 4.13 750 750 A 114 THR HG2% A 114 THR H 1.0 . 4.59 751 751 A 115 VAL HB A 115 VAL H 1.0 . 3.68 752 752 A 23 LYS HBx A 115 VAL H 1.0 . 4.49 753 753 A 24 THR HG2% A 115 VAL H 1.0 . 4.52 754 754 A 114 THR HG2% A 115 VAL H 1.0 . 3.53 755 755 A 117 ARG H A 116 PRO HBy 1.0 . 4.10 756 756 A 117 ARG H A 116 PRO HBx 1.0 . 4.10 757 757 A 117 ARG H A 117 ARG HGx 1.0 . 5.43 758 758 A 117 ARG H A 117 ARG HGy 1.0 . 5.43 759 759 A 117 ARG H A 117 ARG HDx 1.0 . 5.50 760 760 A 117 ARG H A 117 ARG HDy 1.0 . 5.50 761 761 A 117 ARG HA A 118 ALA H 1.0 . 3.25 762 762 A 118 ALA H A 117 ARG HBx 1.0 . 4.75 763 763 A 118 ALA H A 117 ARG HBy 1.0 . 4.75 764 764 A 118 ALA H A 117 ARG HGx 1.0 . 5.50 765 765 A 118 ALA H A 117 ARG HGy 1.0 . 5.50 766 766 A 118 ALA HB% A 118 ALA H 1.0 . 3.23 767 767 A 119 THR H A 119 THR HB 1.0 . 4.16 768 768 A 118 ALA HB% A 119 THR H 1.0 . 3.65 769 769 A 119 THR HB A 120 LYS H 1.0 . 4.58 770 770 A 119 THR HG2% A 120 LYS H 1.0 . 4.90 771 771 A 123 ALA H A 123 ALA HB% 1.0 . 3.37 772 772 A 123 ALA HA A 124 VAL H 1.0 . 3.12 773 773 A 124 VAL H A 124 VAL HB 1.0 . 3.83 774 774 A 123 ALA HB% A 124 VAL H 1.0 . 3.94 775 775 A 124 VAL HB A 125 ASP H 1.0 . 4.10 776 776 A 93 THR H A 96 SER HBx 1.0 . 4.59 777 777 A 93 THR H A 92 ALA HB% 1.0 . 4.04 778 778 A 17 GLN HE2y A 17 GLN HBx 1.0 . 5.50 779 779 A 17 GLN HE2y A 17 GLN HBy 1.0 . 5.50 780 780 A 17 GLN HE2x A 17 GLN HBx 1.0 . 5.50 781 781 A 17 GLN HE2x A 17 GLN HBy 1.0 . 5.50 782 782 A 110 ASN HBx A 110 ASN HD2x 1.0 . 4.05 783 783 A 109 GLU HGx A 110 ASN HD2x 1.0 . 4.72 784 784 A 67 LEU H A 67 LEU HDy% 1.0 . 4.93 785 785 A 67 LEU H A 67 LEU HDx% 1.0 . 5.17 786 786 A 38 THR HA A 40 LEU H 1.0 . 4.64 787 787 A 14 ILE H A 14 ILE HG1y 1.0 . 3.36 788 787 A 14 ILE H A 14 ILE HG1x 1.0 . 3.36 789 788 A 14 ILE HB A 15 PRO HDx 1.0 . 4.42 790 788 A 14 ILE HB A 15 PRO HDy 1.0 . 4.42 791 789 A 14 ILE HB A 36 GLY HAy 1.0 . 4.55 792 789 A 14 ILE HB A 36 GLY HAx 1.0 . 4.55 793 790 A 14 ILE HG2% A 15 PRO HDx 1.0 . 3.43 794 790 A 14 ILE HG2% A 15 PRO HDy 1.0 . 3.43 795 791 A 14 ILE HG2% A 36 GLY HAy 1.0 . 4.04 796 791 A 14 ILE HG2% A 36 GLY HAx 1.0 . 4.04 797 792 A 14 ILE HG1x A 36 GLY HAy 1.0 . 3.85 798 792 A 14 ILE HG1y A 36 GLY HAy 1.0 . 3.85 799 792 A 36 GLY HAx A 14 ILE HG1y 1.0 . 3.85 800 792 A 14 ILE HG1x A 36 GLY HAx 1.0 . 3.85 801 793 A 14 ILE HD1% A 15 PRO HDx 1.0 . 4.90 802 793 A 14 ILE HD1% A 15 PRO HDy 1.0 . 4.90 803 794 A 14 ILE HD1% A 36 GLY HAy 1.0 . 3.98 804 794 A 14 ILE HD1% A 36 GLY HAx 1.0 . 3.98 805 795 A 16 GLU H A 15 PRO HBy 1.0 . 3.27 806 795 A 16 GLU H A 15 PRO HBx 1.0 . 3.27 807 796 A 15 PRO HBy A 106 LYS HBy 1.0 . 3.22 808 796 A 15 PRO HBx A 106 LYS HBy 1.0 . 3.22 809 796 A 106 LYS HBx A 15 PRO HBy 1.0 . 3.22 810 796 A 15 PRO HBx A 106 LYS HBx 1.0 . 3.22 811 797 A 15 PRO HDx A 106 LYS HBy 1.0 . 4.55 812 797 A 106 LYS HBx A 15 PRO HDx 1.0 . 4.55 813 797 A 15 PRO HDy A 106 LYS HBx 1.0 . 4.55 814 797 A 15 PRO HDy A 106 LYS HBy 1.0 . 4.55 815 798 A 16 GLU H A 16 GLU HBx 1.0 . 3.02 816 798 A 16 GLU H A 16 GLU HBy 1.0 . 3.02 817 799 A 16 GLU HA A 17 GLN HGx 1.0 . 4.40 818 799 A 16 GLU HA A 17 GLN HGy 1.0 . 4.40 819 800 A 17 GLN H A 16 GLU HBx 1.0 . 3.61 820 800 A 17 GLN H A 16 GLU HBy 1.0 . 3.61 821 801 A 17 GLN H A 17 GLN HBy 1.0 . 3.20 822 801 A 17 GLN H A 17 GLN HBx 1.0 . 3.20 823 802 A 17 GLN H A 17 GLN HGx 1.0 . 3.73 824 802 A 17 GLN H A 17 GLN HGy 1.0 . 3.73 825 803 A 17 GLN H A 34 VAL HGx% 1.0 . 5.44 826 803 A 17 GLN H A 34 VAL HGy% 1.0 . 5.44 827 804 A 17 GLN HA A 34 VAL HGx% 1.0 . 4.77 828 804 A 17 GLN HA A 34 VAL HGy% 1.0 . 4.77 829 805 A 17 GLN HE2y A 17 GLN HBx 1.0 . 4.22 830 805 A 17 GLN HE2y A 17 GLN HBy 1.0 . 4.22 831 805 A 17 GLN HE2x A 17 GLN HBx 1.0 . 4.22 832 805 A 17 GLN HE2x A 17 GLN HBy 1.0 . 4.22 833 806 A 18 ILE H A 17 GLN HBy 1.0 . 3.83 834 806 A 18 ILE H A 17 GLN HBx 1.0 . 3.83 835 807 A 33 ALA H A 17 GLN HBy 1.0 . 4.80 836 807 A 33 ALA H A 17 GLN HBx 1.0 . 4.80 837 808 A 34 VAL HA A 17 GLN HBy 1.0 . 4.28 838 808 A 34 VAL HA A 17 GLN HBx 1.0 . 4.28 839 809 A 35 CYS H A 17 GLN HBy 1.0 . 4.21 840 809 A 35 CYS H A 17 GLN HBx 1.0 . 4.21 841 810 A 18 ILE H A 17 GLN HGx 1.0 . 5.09 842 810 A 18 ILE H A 17 GLN HGy 1.0 . 5.09 843 811 A 34 VAL HA A 17 GLN HGx 1.0 . 4.10 844 811 A 34 VAL HA A 17 GLN HGy 1.0 . 4.10 845 812 A 17 GLN HGy A 34 VAL HGx% 1.0 . 3.76 846 812 A 17 GLN HGx A 34 VAL HGx% 1.0 . 3.76 847 812 A 34 VAL HGy% A 17 GLN HGx 1.0 . 3.76 848 812 A 17 GLN HGy A 34 VAL HGy% 1.0 . 3.76 849 813 A 17 GLN HE2y A 34 VAL HGx% 1.0 . 3.89 850 813 A 17 GLN HE2y A 34 VAL HGy% 1.0 . 3.89 851 813 A 17 GLN HE2x A 34 VAL HGy% 1.0 . 3.89 852 813 A 17 GLN HE2x A 34 VAL HGx% 1.0 . 3.89 853 814 A 18 ILE HG2% A 106 LYS HBy 1.0 . 4.29 854 814 A 18 ILE HG2% A 106 LYS HBx 1.0 . 4.29 855 815 A 18 ILE HG2% A 108 PHE HBx 1.0 . 5.33 856 815 A 18 ILE HG2% A 108 PHE HBy 1.0 . 5.33 857 816 A 18 ILE HG2% A 109 GLU HBy 1.0 . 3.96 858 816 A 18 ILE HG2% A 109 GLU HBx 1.0 . 3.96 859 817 A 18 ILE HG1y A 104 VAL HGx% 1.0 . 4.71 860 817 A 18 ILE HG1y A 104 VAL HGy% 1.0 . 4.71 861 818 A 18 ILE HG1x A 104 VAL HGx% 1.0 . 4.63 862 818 A 18 ILE HG1x A 104 VAL HGy% 1.0 . 4.63 863 819 A 18 ILE HD1% A 108 PHE HBx 1.0 . 3.42 864 819 A 18 ILE HD1% A 108 PHE HBy 1.0 . 3.42 865 820 A 18 ILE HD1% A 109 GLU HBy 1.0 . 3.84 866 820 A 18 ILE HD1% A 109 GLU HBx 1.0 . 3.84 867 821 A 19 ARG H A 19 ARG HBx 1.0 . 3.38 868 821 A 19 ARG H A 19 ARG HBy 1.0 . 3.38 869 822 A 19 ARG H A 19 ARG HGx 1.0 . 5.05 870 822 A 19 ARG H A 19 ARG HGy 1.0 . 5.05 871 823 A 20 ILE H A 19 ARG HBx 1.0 . 3.92 872 823 A 20 ILE H A 19 ARG HBy 1.0 . 3.92 873 824 A 20 ILE H A 19 ARG HGx 1.0 . 3.91 874 824 A 20 ILE H A 19 ARG HGy 1.0 . 3.91 875 825 A 19 ARG HGy A 30 PRO HBy 1.0 . 4.00 876 825 A 19 ARG HGx A 30 PRO HBy 1.0 . 4.00 877 825 A 30 PRO HBx A 19 ARG HGx 1.0 . 4.00 878 825 A 19 ARG HGy A 30 PRO HBx 1.0 . 4.00 879 826 A 31 ALA H A 19 ARG HGx 1.0 . 4.67 880 826 A 31 ALA H A 19 ARG HGy 1.0 . 4.67 881 827 A 19 ARG HDy A 30 PRO HBy 1.0 . 3.90 882 827 A 19 ARG HDx A 30 PRO HBy 1.0 . 3.90 883 827 A 30 PRO HBx A 19 ARG HDy 1.0 . 3.90 884 827 A 30 PRO HBx A 19 ARG HDx 1.0 . 3.90 885 828 A 20 ILE H A 20 ILE HG1y 1.0 . 3.36 886 828 A 20 ILE H A 20 ILE HG1x 1.0 . 3.36 887 829 A 20 ILE HG2% A 20 ILE HG1y 1.0 . 3.27 888 829 A 20 ILE HG2% A 20 ILE HG1x 1.0 . 3.27 889 830 A 20 ILE HG2% A 108 PHE HBx 1.0 . 3.97 890 830 A 20 ILE HG2% A 108 PHE HBy 1.0 . 3.97 891 831 A 31 ALA H A 20 ILE HG1y 1.0 . 4.30 892 831 A 31 ALA H A 20 ILE HG1x 1.0 . 4.30 893 832 A 31 ALA HB% A 20 ILE HG1y 1.0 . 3.62 894 832 A 31 ALA HB% A 20 ILE HG1x 1.0 . 3.62 895 833 A 33 ALA HB% A 20 ILE HG1y 1.0 . 3.73 896 833 A 33 ALA HB% A 20 ILE HG1x 1.0 . 3.73 897 834 A 20 ILE HD1% A 42 VAL HGx% 1.0 . 2.89 898 834 A 20 ILE HD1% A 42 VAL HGy% 1.0 . 2.89 899 835 A 21 PHE HA A 28 VAL HGx% 1.0 . 4.56 900 835 A 21 PHE HA A 28 VAL HGy% 1.0 . 4.56 901 836 A 21 PHE HBy A 28 VAL HGx% 1.0 . 4.86 902 836 A 21 PHE HBy A 28 VAL HGy% 1.0 . 4.86 903 837 A 21 PHE HBx A 28 VAL HGx% 1.0 . 3.35 904 837 A 21 PHE HBx A 28 VAL HGy% 1.0 . 3.35 905 838 A 21 PHE HBx A 112 VAL HGx% 1.0 . 3.40 906 838 A 21 PHE HBx A 112 VAL HGy% 1.0 . 3.40 907 839 A 22 PHE H A 22 PHE HBy 1.0 . 3.45 908 839 A 22 PHE H A 22 PHE HBx 1.0 . 3.45 909 840 A 22 PHE H A 28 VAL HGx% 1.0 . 4.47 910 840 A 22 PHE H A 28 VAL HGy% 1.0 . 4.47 911 841 A 22 PHE H A 29 VAL HGx% 1.0 . 3.91 912 841 A 22 PHE H A 29 VAL HGy% 1.0 . 3.91 913 842 A 22 PHE HA A 29 VAL HGx% 1.0 . 5.44 914 842 A 22 PHE HA A 29 VAL HGy% 1.0 . 5.44 915 843 A 22 PHE HA A 115 VAL HGx% 1.0 . 5.44 916 843 A 22 PHE HA A 115 VAL HGy% 1.0 . 5.44 917 844 A 23 LYS H A 22 PHE HBy 1.0 . 4.27 918 844 A 23 LYS H A 22 PHE HBx 1.0 . 4.27 919 845 A 24 THR HG2% A 22 PHE HBy 1.0 . 3.85 920 845 A 24 THR HG2% A 22 PHE HBx 1.0 . 3.85 921 846 A 29 VAL H A 22 PHE HBy 1.0 . 4.63 922 846 A 29 VAL H A 22 PHE HBx 1.0 . 4.63 923 847 A 29 VAL HB A 22 PHE HBy 1.0 . 4.20 924 847 A 29 VAL HB A 22 PHE HBx 1.0 . 4.20 925 848 A 22 PHE HBy A 29 VAL HGx% 1.0 . 4.50 926 848 A 22 PHE HBx A 29 VAL HGx% 1.0 . 4.50 927 848 A 29 VAL HGy% A 22 PHE HBy 1.0 . 4.50 928 848 A 22 PHE HBx A 29 VAL HGy% 1.0 . 4.50 929 849 A 22 PHE HBy A 48 VAL HGx% 1.0 . 3.64 930 849 A 22 PHE HBx A 48 VAL HGx% 1.0 . 3.64 931 849 A 48 VAL HGy% A 22 PHE HBy 1.0 . 3.64 932 849 A 22 PHE HBx A 48 VAL HGy% 1.0 . 3.64 933 850 A 22 PHE HBx A 115 VAL HGx% 1.0 . 5.28 934 850 A 22 PHE HBy A 115 VAL HGx% 1.0 . 5.28 935 850 A 115 VAL HGy% A 22 PHE HBy 1.0 . 5.28 936 850 A 22 PHE HBx A 115 VAL HGy% 1.0 . 5.28 937 851 A 22 PHE HDx A 42 VAL HGx% 1.0 . 3.77 938 851 A 22 PHE HDx A 42 VAL HGy% 1.0 . 3.77 939 852 A 22 PHE HDx A 48 VAL HGx% 1.0 . 3.51 940 852 A 22 PHE HDx A 48 VAL HGy% 1.0 . 3.51 941 853 A 22 PHE HEx A 42 VAL HGx% 1.0 . 3.55 942 853 A 22 PHE HEx A 42 VAL HGy% 1.0 . 3.55 943 854 A 22 PHE HEx A 48 VAL HGx% 1.0 . 4.46 944 854 A 22 PHE HEx A 48 VAL HGy% 1.0 . 4.46 945 855 A 22 PHE HEy A 48 VAL HGx% 1.0 . 5.44 946 855 A 48 VAL HGy% A 22 PHE HEy 1.0 . 5.44 947 856 A 22 PHE HEy A 115 VAL HGx% 1.0 . 4.76 948 856 A 115 VAL HGy% A 22 PHE HEy 1.0 . 4.76 949 857 A 22 PHE HDy A 48 VAL HGx% 1.0 . 5.13 950 857 A 22 PHE HDy A 48 VAL HGy% 1.0 . 5.13 951 858 A 22 PHE HDy A 115 VAL HGx% 1.0 . 3.90 952 858 A 22 PHE HDy A 115 VAL HGy% 1.0 . 3.90 953 859 A 23 LYS H A 28 VAL HGx% 1.0 . 5.44 954 859 A 23 LYS H A 28 VAL HGy% 1.0 . 5.44 955 860 A 23 LYS H A 112 VAL HGx% 1.0 . 4.37 956 860 A 23 LYS H A 112 VAL HGy% 1.0 . 4.37 957 861 A 23 LYS H A 115 VAL HGx% 1.0 . 5.31 958 861 A 23 LYS H A 115 VAL HGy% 1.0 . 5.31 959 862 A 23 LYS HA A 23 LYS HGy 1.0 . 3.49 960 862 A 23 LYS HA A 23 LYS HGx 1.0 . 3.49 961 863 A 23 LYS HA A 28 VAL HGx% 1.0 . 3.50 962 863 A 23 LYS HA A 28 VAL HGy% 1.0 . 3.50 963 864 A 23 LYS HBy A 28 VAL HGx% 1.0 . 4.41 964 864 A 23 LYS HBy A 28 VAL HGy% 1.0 . 4.41 965 865 A 23 LYS HBy A 112 VAL HGx% 1.0 . 3.36 966 865 A 23 LYS HBy A 112 VAL HGy% 1.0 . 3.36 967 866 A 23 LYS HBx A 28 VAL HGx% 1.0 . 5.00 968 866 A 23 LYS HBx A 28 VAL HGy% 1.0 . 5.00 969 867 A 23 LYS HBx A 112 VAL HGx% 1.0 . 4.04 970 867 A 23 LYS HBx A 112 VAL HGy% 1.0 . 4.04 971 868 A 24 THR H A 23 LYS HGy 1.0 . 3.70 972 868 A 24 THR H A 23 LYS HGx 1.0 . 3.70 973 869 A 23 LYS HGy A 28 VAL HGx% 1.0 . 3.65 974 869 A 23 LYS HGx A 28 VAL HGx% 1.0 . 3.65 975 869 A 28 VAL HGy% A 23 LYS HGy 1.0 . 3.65 976 869 A 28 VAL HGy% A 23 LYS HGx 1.0 . 3.65 977 870 A 114 THR HA A 23 LYS HGy 1.0 . 4.88 978 870 A 114 THR HA A 23 LYS HGx 1.0 . 4.88 979 871 A 24 THR HA A 23 LYS HDx 1.0 . 5.34 980 871 A 24 THR HA A 23 LYS HDy 1.0 . 5.34 981 872 A 23 LYS HDy A 28 VAL HGx% 1.0 . 4.03 982 872 A 23 LYS HDx A 28 VAL HGx% 1.0 . 4.03 983 872 A 28 VAL HGy% A 23 LYS HDx 1.0 . 4.03 984 872 A 28 VAL HGy% A 23 LYS HDy 1.0 . 4.03 985 873 A 23 LYS HDx A 112 VAL HGx% 1.0 . 4.70 986 873 A 23 LYS HDy A 112 VAL HGx% 1.0 . 4.70 987 873 A 112 VAL HGy% A 23 LYS HDx 1.0 . 4.70 988 873 A 112 VAL HGy% A 23 LYS HDy 1.0 . 4.70 989 874 A 24 THR HA A 115 VAL HGx% 1.0 . 3.85 990 874 A 24 THR HA A 115 VAL HGy% 1.0 . 3.85 991 875 A 24 THR HG2% A 48 VAL HGx% 1.0 . 3.36 992 875 A 24 THR HG2% A 48 VAL HGy% 1.0 . 3.36 993 876 A 24 THR HG2% A 115 VAL HGx% 1.0 . 3.27 994 876 A 24 THR HG2% A 115 VAL HGy% 1.0 . 3.27 995 877 A 27 GLN H A 27 GLN HBx 1.0 . 3.54 996 877 A 27 GLN H A 27 GLN HBy 1.0 . 3.54 997 878 A 27 GLN H A 29 VAL HGx% 1.0 . 5.27 998 878 A 27 GLN H A 29 VAL HGy% 1.0 . 5.27 999 879 A 28 VAL H A 27 GLN HBx 1.0 . 3.87 1000 879 A 28 VAL H A 27 GLN HBy 1.0 . 3.87 1001 880 A 27 GLN HBx A 29 VAL HGx% 1.0 . 4.84 1002 880 A 29 VAL HGy% A 27 GLN HBx 1.0 . 4.84 1003 880 A 29 VAL HGy% A 27 GLN HBy 1.0 . 4.84 1004 880 A 27 GLN HBy A 29 VAL HGx% 1.0 . 4.84 1005 881 A 27 GLN HGy A 29 VAL HGx% 1.0 . 3.97 1006 881 A 27 GLN HGy A 29 VAL HGy% 1.0 . 3.97 1007 882 A 27 GLN HE2x A 29 VAL HGx% 1.0 . 4.12 1008 882 A 27 GLN HE2y A 29 VAL HGx% 1.0 . 4.12 1009 882 A 29 VAL HGy% A 27 GLN HE2y 1.0 . 4.12 1010 882 A 29 VAL HGy% A 27 GLN HE2x 1.0 . 4.12 1011 883 A 28 VAL H A 28 VAL HGx% 1.0 . 3.62 1012 883 A 28 VAL H A 28 VAL HGy% 1.0 . 3.62 1013 884 A 29 VAL H A 28 VAL HGx% 1.0 . 3.43 1014 884 A 29 VAL H A 28 VAL HGy% 1.0 . 3.43 1015 885 A 30 PRO HA A 28 VAL HGx% 1.0 . 4.60 1016 885 A 30 PRO HA A 28 VAL HGy% 1.0 . 4.60 1017 886 A 29 VAL H A 29 VAL HGx% 1.0 . 3.22 1018 886 A 29 VAL H A 29 VAL HGy% 1.0 . 3.22 1019 887 A 29 VAL HB A 30 PRO HDy 1.0 . 4.52 1020 887 A 29 VAL HB A 30 PRO HDx 1.0 . 4.52 1021 888 A 29 VAL HB A 48 VAL HGx% 1.0 . 3.81 1022 888 A 29 VAL HB A 48 VAL HGy% 1.0 . 3.81 1023 889 A 29 VAL HGx% A 30 PRO HBy 1.0 . 5.28 1024 889 A 29 VAL HGy% A 30 PRO HBy 1.0 . 5.28 1025 889 A 30 PRO HBx A 29 VAL HGx% 1.0 . 5.28 1026 889 A 30 PRO HBx A 29 VAL HGy% 1.0 . 5.28 1027 890 A 29 VAL HGx% A 30 PRO HGy 1.0 . 4.27 1028 890 A 29 VAL HGy% A 30 PRO HGy 1.0 . 4.27 1029 890 A 30 PRO HGx A 29 VAL HGx% 1.0 . 4.27 1030 890 A 29 VAL HGy% A 30 PRO HGx 1.0 . 4.27 1031 891 A 29 VAL HGy% A 30 PRO HDy 1.0 . 3.50 1032 891 A 30 PRO HDx A 29 VAL HGx% 1.0 . 3.50 1033 891 A 29 VAL HGy% A 30 PRO HDx 1.0 . 3.50 1034 891 A 29 VAL HGx% A 30 PRO HDy 1.0 . 3.50 1035 892 A 29 VAL HGx% A 46 ASN HBx 1.0 . 4.21 1036 892 A 29 VAL HGy% A 46 ASN HBx 1.0 . 4.21 1037 892 A 46 ASN HBy A 29 VAL HGx% 1.0 . 4.21 1038 892 A 29 VAL HGy% A 46 ASN HBy 1.0 . 4.21 1039 893 A 48 VAL HA A 29 VAL HGx% 1.0 . 4.50 1040 893 A 48 VAL HA A 29 VAL HGy% 1.0 . 4.50 1041 894 A 29 VAL HGx% A 48 VAL HGx% 1.0 . 3.09 1042 894 A 29 VAL HGy% A 48 VAL HGx% 1.0 . 3.09 1043 894 A 48 VAL HGy% A 29 VAL HGx% 1.0 . 3.09 1044 894 A 29 VAL HGy% A 48 VAL HGy% 1.0 . 3.09 1045 895 A 49 ASP H A 29 VAL HGx% 1.0 . 5.44 1046 895 A 49 ASP H A 29 VAL HGy% 1.0 . 5.44 1047 896 A 31 ALA HB% A 46 ASN HBx 1.0 . 3.46 1048 896 A 31 ALA HB% A 46 ASN HBy 1.0 . 3.46 1049 897 A 32 LYS H A 32 LYS HBx 1.0 . 3.51 1050 897 A 32 LYS H A 32 LYS HBy 1.0 . 3.51 1051 898 A 33 ALA H A 32 LYS HBx 1.0 . 3.72 1052 898 A 33 ALA H A 32 LYS HBy 1.0 . 3.72 1053 899 A 32 LYS HEx A 32 LYS HGx 1.0 . 3.29 1054 899 A 32 LYS HEy A 32 LYS HGx 1.0 . 3.29 1055 899 A 32 LYS HGy A 32 LYS HEx 1.0 . 3.29 1056 899 A 32 LYS HGy A 32 LYS HEy 1.0 . 3.29 1057 900 A 33 ALA HA A 34 VAL HGx% 1.0 . 3.95 1058 900 A 33 ALA HA A 34 VAL HGy% 1.0 . 3.95 1059 901 A 33 ALA HA A 42 VAL HGx% 1.0 . 3.37 1060 901 A 33 ALA HA A 42 VAL HGy% 1.0 . 3.37 1061 902 A 33 ALA HA A 104 VAL HGx% 1.0 . 4.30 1062 902 A 33 ALA HA A 104 VAL HGy% 1.0 . 4.30 1063 903 A 33 ALA HB% A 104 VAL HGx% 1.0 . 3.06 1064 903 A 33 ALA HB% A 104 VAL HGy% 1.0 . 3.06 1065 904 A 34 VAL H A 34 VAL HGx% 1.0 . 3.14 1066 904 A 34 VAL H A 34 VAL HGy% 1.0 . 3.14 1067 905 A 34 VAL H A 42 VAL HGx% 1.0 . 3.96 1068 905 A 34 VAL H A 42 VAL HGy% 1.0 . 3.96 1069 906 A 34 VAL HA A 35 CYS HBx 1.0 . 4.75 1070 906 A 34 VAL HA A 35 CYS HBy 1.0 . 4.75 1071 907 A 35 CYS H A 34 VAL HGx% 1.0 . 3.38 1072 907 A 35 CYS H A 34 VAL HGy% 1.0 . 3.38 1073 908 A 34 VAL HGy% A 37 SER HBx 1.0 . 4.27 1074 908 A 34 VAL HGx% A 37 SER HBx 1.0 . 4.27 1075 908 A 37 SER HBy A 34 VAL HGx% 1.0 . 4.27 1076 908 A 34 VAL HGy% A 37 SER HBy 1.0 . 4.27 1077 909 A 35 CYS H A 35 CYS HBx 1.0 . 3.22 1078 909 A 35 CYS H A 35 CYS HBy 1.0 . 3.22 1079 910 A 35 CYS HA A 104 VAL HGx% 1.0 . 4.19 1080 910 A 35 CYS HA A 104 VAL HGy% 1.0 . 4.19 1081 911 A 36 GLY H A 35 CYS HBx 1.0 . 3.91 1082 911 A 36 GLY H A 35 CYS HBy 1.0 . 3.91 1083 912 A 36 GLY H A 104 VAL HGx% 1.0 . 4.04 1084 912 A 36 GLY H A 104 VAL HGy% 1.0 . 4.04 1085 913 A 36 GLY HAx A 103 ARG HDx 1.0 . 4.20 1086 913 A 36 GLY HAy A 103 ARG HDx 1.0 . 4.20 1087 913 A 103 ARG HDy A 36 GLY HAy 1.0 . 4.20 1088 913 A 36 GLY HAx A 103 ARG HDy 1.0 . 4.20 1089 914 A 37 SER H A 37 SER HBx 1.0 . 3.53 1090 914 A 37 SER H A 37 SER HBy 1.0 . 3.53 1091 915 A 37 SER H A 104 VAL HGx% 1.0 . 4.03 1092 915 A 37 SER H A 104 VAL HGy% 1.0 . 4.03 1093 916 A 37 SER HA A 104 VAL HGx% 1.0 . 5.44 1094 916 A 37 SER HA A 104 VAL HGy% 1.0 . 5.44 1095 917 A 38 THR H A 37 SER HBx 1.0 . 3.60 1096 917 A 38 THR H A 37 SER HBy 1.0 . 3.60 1097 918 A 37 SER HBx A 41 ASP HBx 1.0 . 3.66 1098 918 A 37 SER HBy A 41 ASP HBx 1.0 . 3.66 1099 918 A 41 ASP HBy A 37 SER HBx 1.0 . 3.66 1100 918 A 37 SER HBy A 41 ASP HBy 1.0 . 3.66 1101 919 A 37 SER HBy A 42 VAL HGx% 1.0 . 3.77 1102 919 A 42 VAL HGy% A 37 SER HBx 1.0 . 3.77 1103 919 A 42 VAL HGy% A 37 SER HBy 1.0 . 3.77 1104 919 A 37 SER HBx A 42 VAL HGx% 1.0 . 3.77 1105 920 A 37 SER HBy A 104 VAL HGx% 1.0 . 4.61 1106 920 A 37 SER HBx A 104 VAL HGx% 1.0 . 4.61 1107 920 A 104 VAL HGy% A 37 SER HBx 1.0 . 4.61 1108 920 A 104 VAL HGy% A 37 SER HBy 1.0 . 4.61 1109 921 A 38 THR H A 42 VAL HGx% 1.0 . 4.49 1110 921 A 38 THR H A 42 VAL HGy% 1.0 . 4.49 1111 922 A 38 THR HA A 40 LEU HDx% 1.0 . 5.44 1112 922 A 38 THR HA A 40 LEU HDy% 1.0 . 5.44 1113 923 A 38 THR HA A 104 VAL HGx% 1.0 . 4.61 1114 923 A 38 THR HA A 104 VAL HGy% 1.0 . 4.61 1115 924 A 39 VAL HA A 42 VAL HGx% 1.0 . 3.98 1116 924 A 39 VAL HA A 42 VAL HGy% 1.0 . 3.98 1117 925 A 39 VAL HB A 40 LEU HDx% 1.0 . 3.58 1118 925 A 39 VAL HB A 40 LEU HDy% 1.0 . 3.58 1119 926 A 40 LEU H A 39 VAL HGx% 1.0 . 4.41 1120 926 A 40 LEU H A 39 VAL HGy% 1.0 . 4.41 1121 927 A 39 VAL HGy% A 42 VAL HGx% 1.0 . 4.36 1122 927 A 39 VAL HGx% A 42 VAL HGx% 1.0 . 4.36 1123 927 A 42 VAL HGy% A 39 VAL HGx% 1.0 . 4.36 1124 927 A 42 VAL HGy% A 39 VAL HGy% 1.0 . 4.36 1125 928 A 40 LEU H A 40 LEU HDx% 1.0 . 3.67 1126 928 A 40 LEU H A 40 LEU HDy% 1.0 . 3.67 1127 929 A 40 LEU HDx% A 102 LEU HBx 1.0 . 3.73 1128 929 A 40 LEU HDy% A 102 LEU HBx 1.0 . 3.73 1129 929 A 102 LEU HBy A 40 LEU HDx% 1.0 . 3.73 1130 929 A 40 LEU HDy% A 102 LEU HBy 1.0 . 3.73 1131 930 A 41 ASP H A 42 VAL HGx% 1.0 . 4.65 1132 930 A 41 ASP H A 42 VAL HGy% 1.0 . 4.65 1133 931 A 42 VAL H A 41 ASP HBx 1.0 . 3.76 1134 931 A 42 VAL H A 41 ASP HBy 1.0 . 3.76 1135 932 A 41 ASP HBy A 42 VAL HGx% 1.0 . 4.11 1136 932 A 41 ASP HBx A 42 VAL HGx% 1.0 . 4.11 1137 932 A 42 VAL HGy% A 41 ASP HBx 1.0 . 4.11 1138 932 A 42 VAL HGy% A 41 ASP HBy 1.0 . 4.11 1139 933 A 42 VAL H A 42 VAL HGx% 1.0 . 3.09 1140 933 A 42 VAL H A 42 VAL HGy% 1.0 . 3.09 1141 934 A 42 VAL HA A 42 VAL HGx% 1.0 . 3.03 1142 934 A 42 VAL HA A 42 VAL HGy% 1.0 . 3.03 1143 935 A 42 VAL HA A 45 LYS HGx 1.0 . 4.63 1144 935 A 42 VAL HA A 45 LYS HGy 1.0 . 4.63 1145 936 A 42 VAL HA A 45 LYS HDx 1.0 . 4.93 1146 936 A 42 VAL HA A 45 LYS HDy 1.0 . 4.93 1147 937 A 43 ALA H A 42 VAL HGx% 1.0 . 3.99 1148 937 A 43 ALA H A 42 VAL HGy% 1.0 . 3.99 1149 938 A 43 ALA HA A 42 VAL HGx% 1.0 . 4.18 1150 938 A 43 ALA HA A 42 VAL HGy% 1.0 . 4.18 1151 939 A 43 ALA H A 48 VAL HGx% 1.0 . 5.44 1152 939 A 43 ALA H A 48 VAL HGy% 1.0 . 5.44 1153 940 A 43 ALA HA A 46 ASN HBx 1.0 . 4.47 1154 940 A 43 ALA HA A 46 ASN HBy 1.0 . 4.47 1155 941 A 43 ALA HA A 48 VAL HGx% 1.0 . 3.46 1156 941 A 43 ALA HA A 48 VAL HGy% 1.0 . 3.46 1157 942 A 43 ALA HB% A 48 VAL HGx% 1.0 . 3.59 1158 942 A 43 ALA HB% A 48 VAL HGy% 1.0 . 3.59 1159 943 A 44 HIS H A 45 LYS HGx 1.0 . 4.05 1160 943 A 44 HIS H A 45 LYS HGy 1.0 . 4.05 1161 944 A 45 LYS HA A 45 LYS HDx 1.0 . 3.57 1162 944 A 45 LYS HA A 45 LYS HDy 1.0 . 3.57 1163 945 A 45 LYS HBy A 45 LYS HDx 1.0 . 3.49 1164 945 A 45 LYS HBy A 45 LYS HDy 1.0 . 3.49 1165 946 A 45 LYS HBy A 45 LYS HEy 1.0 . 4.33 1166 946 A 45 LYS HBy A 45 LYS HEx 1.0 . 4.33 1167 947 A 46 ASN H A 46 ASN HBx 1.0 . 3.18 1168 947 A 46 ASN H A 46 ASN HBy 1.0 . 3.18 1169 948 A 46 ASN H A 47 GLY HAy 1.0 . 4.90 1170 948 A 46 ASN H A 47 GLY HAx 1.0 . 4.90 1171 949 A 46 ASN H A 48 VAL HGx% 1.0 . 4.73 1172 949 A 46 ASN H A 48 VAL HGy% 1.0 . 4.73 1173 950 A 47 GLY H A 46 ASN HBx 1.0 . 4.28 1174 950 A 47 GLY H A 46 ASN HBy 1.0 . 4.28 1175 951 A 46 ASN HBx A 48 VAL HGx% 1.0 . 3.41 1176 951 A 48 VAL HGy% A 46 ASN HBx 1.0 . 3.41 1177 951 A 48 VAL HGy% A 46 ASN HBy 1.0 . 3.41 1178 951 A 46 ASN HBy A 48 VAL HGx% 1.0 . 3.41 1179 952 A 47 GLY H A 48 VAL HGx% 1.0 . 4.86 1180 952 A 47 GLY H A 48 VAL HGy% 1.0 . 4.86 1181 953 A 48 VAL H A 48 VAL HGx% 1.0 . 3.18 1182 953 A 48 VAL H A 48 VAL HGy% 1.0 . 3.18 1183 954 A 48 VAL HA A 48 VAL HGx% 1.0 . 2.98 1184 954 A 48 VAL HA A 48 VAL HGy% 1.0 . 2.98 1185 955 A 48 VAL HA A 49 ASP HBx 1.0 . 4.19 1186 955 A 48 VAL HA A 49 ASP HBy 1.0 . 4.19 1187 956 A 49 ASP H A 48 VAL HGx% 1.0 . 3.26 1188 956 A 49 ASP H A 48 VAL HGy% 1.0 . 3.26 1189 957 A 49 ASP HA A 48 VAL HGx% 1.0 . 4.89 1190 957 A 49 ASP HA A 48 VAL HGy% 1.0 . 4.89 1191 958 A 50 LEU H A 48 VAL HGx% 1.0 . 4.03 1192 958 A 50 LEU H A 48 VAL HGy% 1.0 . 4.03 1193 959 A 50 LEU HA A 48 VAL HGx% 1.0 . 5.21 1194 959 A 50 LEU HA A 48 VAL HGy% 1.0 . 5.21 1195 960 A 49 ASP HA A 50 LEU HBy 1.0 . 4.63 1196 960 A 49 ASP HA A 50 LEU HBx 1.0 . 4.63 1197 961 A 50 LEU H A 50 LEU HBy 1.0 . 3.56 1198 961 A 50 LEU H A 50 LEU HBx 1.0 . 3.56 1199 962 A 65 VAL H A 65 VAL HGx% 1.0 . 3.93 1200 962 A 65 VAL H A 65 VAL HGy% 1.0 . 3.93 1201 963 A 66 ILE H A 65 VAL HGx% 1.0 . 3.89 1202 963 A 66 ILE H A 65 VAL HGy% 1.0 . 3.89 1203 964 A 65 VAL HGy% A 113 PHE HBx 1.0 . 4.16 1204 964 A 113 PHE HBy A 65 VAL HGx% 1.0 . 4.16 1205 964 A 65 VAL HGy% A 113 PHE HBy 1.0 . 4.16 1206 964 A 65 VAL HGx% A 113 PHE HBx 1.0 . 4.16 1207 965 A 113 PHE HDy A 65 VAL HGx% 1.0 . 5.14 1208 965 A 113 PHE HDy A 65 VAL HGy% 1.0 . 5.14 1209 966 A 114 THR H A 65 VAL HGx% 1.0 . 4.15 1210 966 A 114 THR H A 65 VAL HGy% 1.0 . 4.15 1211 967 A 115 VAL HA A 65 VAL HGx% 1.0 . 3.57 1212 967 A 115 VAL HA A 65 VAL HGy% 1.0 . 3.57 1213 968 A 66 ILE H A 66 ILE HG1y 1.0 . 4.06 1214 968 A 66 ILE H A 66 ILE HG1x 1.0 . 4.06 1215 969 A 66 ILE H A 116 PRO HDy 1.0 . 4.45 1216 969 A 66 ILE H A 116 PRO HDx 1.0 . 4.45 1217 970 A 93 THR HB A 66 ILE HG1y 1.0 . 5.34 1218 970 A 93 THR HB A 66 ILE HG1x 1.0 . 5.34 1219 971 A 66 ILE HG1y A 116 PRO HBy 1.0 . 4.31 1220 971 A 66 ILE HG1x A 116 PRO HBy 1.0 . 4.31 1221 971 A 116 PRO HBx A 66 ILE HG1y 1.0 . 4.31 1222 971 A 66 ILE HG1x A 116 PRO HBx 1.0 . 4.31 1223 972 A 66 ILE HD1% A 116 PRO HBy 1.0 . 3.38 1224 972 A 66 ILE HD1% A 116 PRO HBx 1.0 . 3.38 1225 973 A 66 ILE HD1% A 116 PRO HGx 1.0 . 3.82 1226 973 A 66 ILE HD1% A 116 PRO HGy 1.0 . 3.82 1227 974 A 66 ILE HD1% A 116 PRO HDy 1.0 . 3.73 1228 974 A 66 ILE HD1% A 116 PRO HDx 1.0 . 3.73 1229 975 A 67 LEU HA A 68 GLU HGy 1.0 . 5.34 1230 975 A 67 LEU HA A 68 GLU HGx 1.0 . 5.34 1231 976 A 67 LEU HG A 71 LEU HDy% 1.0 . 3.59 1232 976 A 67 LEU HG A 71 LEU HDx% 1.0 . 3.59 1233 977 A 68 GLU HA A 68 GLU HGy 1.0 . 3.43 1234 977 A 68 GLU HA A 68 GLU HGx 1.0 . 3.43 1235 978 A 112 VAL H A 68 GLU HGy 1.0 . 4.51 1236 978 A 112 VAL H A 68 GLU HGx 1.0 . 4.51 1237 979 A 112 VAL HA A 68 GLU HGy 1.0 . 4.69 1238 979 A 112 VAL HA A 68 GLU HGx 1.0 . 4.69 1239 980 A 112 VAL HB A 68 GLU HGy 1.0 . 4.02 1240 980 A 112 VAL HB A 68 GLU HGx 1.0 . 4.02 1241 981 A 69 GLU H A 69 GLU HGy 1.0 . 3.84 1242 981 A 69 GLU H A 69 GLU HGx 1.0 . 3.84 1243 982 A 69 GLU HA A 69 GLU HGy 1.0 . 3.52 1244 982 A 69 GLU HA A 69 GLU HGx 1.0 . 3.52 1245 983 A 70 PRO HDy A 69 GLU HBy 1.0 . 3.79 1246 983 A 70 PRO HDy A 69 GLU HBx 1.0 . 3.79 1247 984 A 70 PRO HDx A 69 GLU HBy 1.0 . 3.23 1248 984 A 70 PRO HDx A 69 GLU HBx 1.0 . 3.23 1249 985 A 70 PRO HDy A 69 GLU HGy 1.0 . 4.61 1250 985 A 70 PRO HDy A 69 GLU HGx 1.0 . 4.61 1251 986 A 95 THR HG2% A 69 GLU HGy 1.0 . 3.45 1252 986 A 95 THR HG2% A 69 GLU HGx 1.0 . 3.45 1253 987 A 70 PRO HA A 73 ARG HGx 1.0 . 4.50 1254 987 A 70 PRO HA A 73 ARG HGy 1.0 . 4.50 1255 988 A 71 LEU H A 70 PRO HGx 1.0 . 3.48 1256 988 A 71 LEU H A 70 PRO HGy 1.0 . 3.48 1257 989 A 71 LEU H A 71 LEU HDy% 1.0 . 3.76 1258 989 A 71 LEU H A 71 LEU HDx% 1.0 . 3.76 1259 990 A 71 LEU HA A 71 LEU HDy% 1.0 . 3.03 1260 990 A 71 LEU HA A 71 LEU HDx% 1.0 . 3.03 1261 991 A 71 LEU HA A 74 LYS HGx 1.0 . 4.40 1262 991 A 71 LEU HA A 74 LYS HGy 1.0 . 4.40 1263 992 A 71 LEU HA A 74 LYS HDy 1.0 . 4.32 1264 992 A 71 LEU HA A 74 LYS HDx 1.0 . 4.32 1265 993 A 72 TYR H A 71 LEU HBx 1.0 . 4.25 1266 993 A 72 TYR H A 71 LEU HBy 1.0 . 4.25 1267 994 A 111 ALA HB% A 71 LEU HBx 1.0 . 4.95 1268 994 A 111 ALA HB% A 71 LEU HBy 1.0 . 4.95 1269 995 A 74 LYS H A 71 LEU HDy% 1.0 . 5.44 1270 995 A 74 LYS H A 71 LEU HDx% 1.0 . 5.44 1271 996 A 75 LEU H A 71 LEU HDy% 1.0 . 5.44 1272 996 A 75 LEU H A 71 LEU HDx% 1.0 . 5.44 1273 997 A 75 LEU HG A 71 LEU HDy% 1.0 . 4.47 1274 997 A 75 LEU HG A 71 LEU HDx% 1.0 . 4.47 1275 998 A 71 LEU HDx% A 75 LEU HDy% 1.0 . 3.40 1276 998 A 71 LEU HDy% A 75 LEU HDy% 1.0 . 3.40 1277 998 A 75 LEU HDx% A 71 LEU HDy% 1.0 . 3.40 1278 998 A 71 LEU HDx% A 75 LEU HDx% 1.0 . 3.40 1279 999 A 108 PHE HA A 71 LEU HDy% 1.0 . 3.56 1280 999 A 108 PHE HA A 71 LEU HDx% 1.0 . 3.56 1281 1000 A 108 PHE HDy A 71 LEU HDy% 1.0 . 5.00 1282 1000 A 108 PHE HDy A 71 LEU HDx% 1.0 . 5.00 1283 1001 A 111 ALA H A 71 LEU HDy% 1.0 . 4.99 1284 1001 A 111 ALA H A 71 LEU HDx% 1.0 . 4.99 1285 1002 A 111 ALA HB% A 71 LEU HDy% 1.0 . 2.99 1286 1002 A 111 ALA HB% A 71 LEU HDx% 1.0 . 2.99 1287 1003 A 73 ARG H A 73 ARG HGx 1.0 . 3.85 1288 1003 A 73 ARG H A 73 ARG HGy 1.0 . 3.85 1289 1004 A 73 ARG HA A 73 ARG HDy 1.0 . 4.39 1290 1004 A 73 ARG HA A 73 ARG HDx 1.0 . 4.39 1291 1005 A 73 ARG HBx A 74 LYS HGx 1.0 . 3.87 1292 1005 A 73 ARG HBx A 74 LYS HGy 1.0 . 3.87 1293 1006 A 74 LYS H A 74 LYS HDy 1.0 . 4.39 1294 1006 A 74 LYS H A 74 LYS HDx 1.0 . 4.39 1295 1007 A 74 LYS HA A 74 LYS HGx 1.0 . 3.71 1296 1007 A 74 LYS HA A 74 LYS HGy 1.0 . 3.71 1297 1008 A 74 LYS HA A 74 LYS HDy 1.0 . 4.85 1298 1008 A 74 LYS HA A 74 LYS HDx 1.0 . 4.85 1299 1009 A 75 LEU H A 75 LEU HBx 1.0 . 3.50 1300 1009 A 75 LEU H A 75 LEU HBy 1.0 . 3.50 1301 1010 A 75 LEU H A 75 LEU HDy% 1.0 . 4.24 1302 1010 A 75 LEU H A 75 LEU HDx% 1.0 . 4.24 1303 1011 A 75 LEU HA A 75 LEU HDy% 1.0 . 2.86 1304 1011 A 75 LEU HA A 75 LEU HDx% 1.0 . 2.86 1305 1012 A 75 LEU HBx A 75 LEU HDy% 1.0 . 2.85 1306 1012 A 75 LEU HBy A 75 LEU HDy% 1.0 . 2.85 1307 1012 A 75 LEU HDx% A 75 LEU HBx 1.0 . 2.85 1308 1012 A 75 LEU HDx% A 75 LEU HBy 1.0 . 2.85 1309 1013 A 76 GLY H A 75 LEU HBx 1.0 . 3.63 1310 1013 A 76 GLY H A 75 LEU HBy 1.0 . 3.63 1311 1014 A 76 GLY H A 75 LEU HDy% 1.0 . 4.81 1312 1014 A 76 GLY H A 75 LEU HDx% 1.0 . 4.81 1313 1015 A 77 GLU H A 76 GLY HAx 1.0 . 2.72 1314 1015 A 77 GLU H A 76 GLY HAy 1.0 . 2.72 1315 1016 A 76 GLY HAy A 77 GLU HGx 1.0 . 4.36 1316 1016 A 76 GLY HAx A 77 GLU HGx 1.0 . 4.36 1317 1016 A 77 GLU HGy A 76 GLY HAx 1.0 . 4.36 1318 1016 A 76 GLY HAy A 77 GLU HGy 1.0 . 4.36 1319 1017 A 77 GLU H A 77 GLU HBy 1.0 . 3.17 1320 1017 A 77 GLU H A 77 GLU HBx 1.0 . 3.17 1321 1018 A 77 GLU H A 77 GLU HGx 1.0 . 3.31 1322 1018 A 77 GLU H A 77 GLU HGy 1.0 . 3.31 1323 1019 A 77 GLU HA A 78 PRO HGy 1.0 . 4.47 1324 1019 A 77 GLU HA A 78 PRO HGx 1.0 . 4.47 1325 1020 A 78 PRO HDx A 77 GLU HBy 1.0 . 3.41 1326 1020 A 78 PRO HDx A 77 GLU HBx 1.0 . 3.41 1327 1021 A 78 PRO HDx A 77 GLU HGx 1.0 . 4.50 1328 1021 A 78 PRO HDx A 77 GLU HGy 1.0 . 4.50 1329 1022 A 78 PRO HA A 82 GLU HBy 1.0 . 4.51 1330 1022 A 78 PRO HA A 82 GLU HBx 1.0 . 4.51 1331 1023 A 86 ILE HD1% A 78 PRO HGy 1.0 . 3.92 1332 1023 A 86 ILE HD1% A 78 PRO HGx 1.0 . 3.92 1333 1024 A 79 SER H A 82 GLU HBy 1.0 . 4.21 1334 1024 A 79 SER H A 82 GLU HBx 1.0 . 4.21 1335 1025 A 80 ASP H A 79 SER HBx 1.0 . 3.09 1336 1025 A 80 ASP H A 79 SER HBy 1.0 . 3.09 1337 1026 A 80 ASP H A 80 ASP HBx 1.0 . 3.06 1338 1026 A 80 ASP H A 80 ASP HBy 1.0 . 3.06 1339 1027 A 80 ASP HA A 83 TYR HBx 1.0 . 3.29 1340 1027 A 80 ASP HA A 83 TYR HBy 1.0 . 3.29 1341 1028 A 81 LYS H A 81 LYS HBx 1.0 . 3.22 1342 1028 A 81 LYS H A 81 LYS HBy 1.0 . 3.22 1343 1029 A 81 LYS HA A 81 LYS HDy 1.0 . 4.81 1344 1029 A 81 LYS HA A 81 LYS HDx 1.0 . 4.81 1345 1030 A 82 GLU H A 81 LYS HBx 1.0 . 4.04 1346 1030 A 82 GLU H A 81 LYS HBy 1.0 . 4.04 1347 1031 A 83 TYR H A 82 GLU HBy 1.0 . 4.39 1348 1031 A 83 TYR H A 82 GLU HBx 1.0 . 4.39 1349 1032 A 84 ASP H A 84 ASP HBx 1.0 . 3.10 1350 1032 A 84 ASP H A 84 ASP HBy 1.0 . 3.10 1351 1033 A 86 ILE H A 86 ILE HG1y 1.0 . 4.72 1352 1033 A 86 ILE H A 86 ILE HG1x 1.0 . 4.72 1353 1034 A 88 GLN H A 87 ASP HBx 1.0 . 3.80 1354 1034 A 88 GLN H A 87 ASP HBy 1.0 . 3.80 1355 1035 A 88 GLN H A 88 GLN HBx 1.0 . 3.37 1356 1035 A 88 GLN H A 88 GLN HBy 1.0 . 3.37 1357 1036 A 88 GLN H A 88 GLN HGx 1.0 . 3.57 1358 1036 A 88 GLN H A 88 GLN HGy 1.0 . 3.57 1359 1037 A 88 GLN HA A 88 GLN HGx 1.0 . 3.30 1360 1037 A 88 GLN HA A 88 GLN HGy 1.0 . 3.30 1361 1038 A 89 ALA H A 88 GLN HBx 1.0 . 4.33 1362 1038 A 89 ALA H A 88 GLN HBy 1.0 . 4.33 1363 1039 A 89 ALA H A 88 GLN HGx 1.0 . 4.57 1364 1039 A 89 ALA H A 88 GLN HGy 1.0 . 4.57 1365 1040 A 89 ALA HA A 90 PHE HBx 1.0 . 5.12 1366 1040 A 89 ALA HA A 90 PHE HBy 1.0 . 5.12 1367 1041 A 89 ALA HB% A 90 PHE HBx 1.0 . 5.34 1368 1041 A 89 ALA HB% A 90 PHE HBy 1.0 . 5.34 1369 1042 A 90 PHE H A 90 PHE HBx 1.0 . 3.19 1370 1042 A 90 PHE H A 90 PHE HBy 1.0 . 3.19 1371 1043 A 90 PHE HA A 91 GLY HAx 1.0 . 4.16 1372 1043 A 90 PHE HA A 91 GLY HAy 1.0 . 4.16 1373 1044 A 91 GLY H A 90 PHE HBx 1.0 . 4.04 1374 1044 A 91 GLY H A 90 PHE HBy 1.0 . 4.04 1375 1045 A 103 ARG H A 102 LEU HBx 1.0 . 4.41 1376 1045 A 103 ARG H A 102 LEU HBy 1.0 . 4.41 1377 1046 A 103 ARG H A 102 LEU HDy% 1.0 . 3.84 1378 1046 A 103 ARG H A 102 LEU HDx% 1.0 . 3.84 1379 1047 A 103 ARG H A 103 ARG HBx 1.0 . 3.22 1380 1047 A 103 ARG H A 103 ARG HBy 1.0 . 3.22 1381 1048 A 103 ARG H A 103 ARG HGx 1.0 . 4.24 1382 1048 A 103 ARG H A 103 ARG HGy 1.0 . 4.24 1383 1049 A 103 ARG HA A 103 ARG HGx 1.0 . 3.74 1384 1049 A 103 ARG HA A 103 ARG HGy 1.0 . 3.74 1385 1050 A 103 ARG HA A 104 VAL HGx% 1.0 . 3.97 1386 1050 A 103 ARG HA A 104 VAL HGy% 1.0 . 3.97 1387 1051 A 103 ARG HBx A 103 ARG HDx 1.0 . 3.29 1388 1051 A 103 ARG HBy A 103 ARG HDx 1.0 . 3.29 1389 1051 A 103 ARG HDy A 103 ARG HBx 1.0 . 3.29 1390 1051 A 103 ARG HDy A 103 ARG HBy 1.0 . 3.29 1391 1052 A 104 VAL H A 103 ARG HBx 1.0 . 4.12 1392 1052 A 104 VAL H A 103 ARG HBy 1.0 . 4.12 1393 1053 A 104 VAL H A 103 ARG HGx 1.0 . 4.22 1394 1053 A 104 VAL H A 103 ARG HGy 1.0 . 4.22 1395 1054 A 104 VAL H A 104 VAL HGx% 1.0 . 3.13 1396 1054 A 104 VAL H A 104 VAL HGy% 1.0 . 3.13 1397 1055 A 104 VAL HA A 108 PHE HBx 1.0 . 4.40 1398 1055 A 104 VAL HA A 108 PHE HBy 1.0 . 4.40 1399 1056 A 105 ASP H A 104 VAL HGx% 1.0 . 3.51 1400 1056 A 105 ASP H A 104 VAL HGy% 1.0 . 3.51 1401 1057 A 105 ASP HA A 104 VAL HGx% 1.0 . 4.90 1402 1057 A 104 VAL HGy% A 105 ASP HA 1.0 . 4.90 1403 1058 A 108 PHE H A 104 VAL HGx% 1.0 . 4.67 1404 1058 A 108 PHE H A 104 VAL HGy% 1.0 . 4.67 1405 1059 A 104 VAL HGx% A 108 PHE HBx 1.0 . 3.29 1406 1059 A 108 PHE HBy A 104 VAL HGx% 1.0 . 3.29 1407 1059 A 108 PHE HBy A 104 VAL HGy% 1.0 . 3.29 1408 1059 A 104 VAL HGy% A 108 PHE HBx 1.0 . 3.29 1409 1060 A 108 PHE HDx A 104 VAL HGx% 1.0 . 4.18 1410 1060 A 108 PHE HDx A 104 VAL HGy% 1.0 . 4.18 1411 1061 A 105 ASP H A 108 PHE HBx 1.0 . 4.53 1412 1061 A 105 ASP H A 108 PHE HBy 1.0 . 4.53 1413 1062 A 106 LYS H A 106 LYS HBy 1.0 . 3.29 1414 1062 A 106 LYS H A 106 LYS HBx 1.0 . 3.29 1415 1063 A 107 SER H A 106 LYS HBy 1.0 . 4.03 1416 1063 A 107 SER H A 106 LYS HBx 1.0 . 4.03 1417 1064 A 108 PHE H A 108 PHE HBx 1.0 . 3.35 1418 1064 A 108 PHE H A 108 PHE HBy 1.0 . 3.35 1419 1065 A 111 ALA HB% A 108 PHE HBx 1.0 . 3.95 1420 1065 A 111 ALA HB% A 108 PHE HBy 1.0 . 3.95 1421 1066 A 109 GLU H A 109 GLU HBy 1.0 . 2.99 1422 1066 A 109 GLU H A 109 GLU HBx 1.0 . 2.99 1423 1067 A 111 ALA HA A 112 VAL HGx% 1.0 . 4.02 1424 1067 A 111 ALA HA A 112 VAL HGy% 1.0 . 4.02 1425 1068 A 111 ALA HB% A 112 VAL HGx% 1.0 . 4.36 1426 1068 A 111 ALA HB% A 112 VAL HGy% 1.0 . 4.36 1427 1069 A 112 VAL H A 112 VAL HGx% 1.0 . 3.26 1428 1069 A 112 VAL H A 112 VAL HGy% 1.0 . 3.26 1429 1070 A 113 PHE H A 112 VAL HGx% 1.0 . 3.39 1430 1070 A 113 PHE H A 112 VAL HGy% 1.0 . 3.39 1431 1071 A 113 PHE HDx A 112 VAL HGx% 1.0 . 5.30 1432 1071 A 113 PHE HDx A 112 VAL HGy% 1.0 . 5.30 1433 1072 A 113 PHE H A 113 PHE HBx 1.0 . 3.47 1434 1072 A 113 PHE H A 113 PHE HBy 1.0 . 3.47 1435 1073 A 114 THR H A 113 PHE HBx 1.0 . 4.48 1436 1073 A 114 THR H A 113 PHE HBy 1.0 . 4.48 1437 1074 A 114 THR HA A 115 VAL HGx% 1.0 . 3.81 1438 1074 A 114 THR HA A 115 VAL HGy% 1.0 . 3.81 1439 1075 A 115 VAL H A 115 VAL HGx% 1.0 . 3.40 1440 1075 A 115 VAL H A 115 VAL HGy% 1.0 . 3.40 1441 1076 A 115 VAL HA A 116 PRO HGx 1.0 . 3.93 1442 1076 A 115 VAL HA A 116 PRO HGy 1.0 . 3.93 1443 1077 A 115 VAL HA A 116 PRO HDy 1.0 . 3.00 1444 1077 A 115 VAL HA A 116 PRO HDx 1.0 . 3.00 1445 1078 A 116 PRO HA A 115 VAL HGx% 1.0 . 4.93 1446 1078 A 116 PRO HA A 115 VAL HGy% 1.0 . 4.93 1447 1079 A 115 VAL HGy% A 116 PRO HBy 1.0 . 5.28 1448 1079 A 116 PRO HBx A 115 VAL HGx% 1.0 . 5.28 1449 1079 A 115 VAL HGy% A 116 PRO HBx 1.0 . 5.28 1450 1079 A 115 VAL HGx% A 116 PRO HBy 1.0 . 5.28 1451 1080 A 115 VAL HGx% A 116 PRO HGx 1.0 . 4.44 1452 1080 A 115 VAL HGy% A 116 PRO HGx 1.0 . 4.44 1453 1080 A 116 PRO HGy A 115 VAL HGx% 1.0 . 4.44 1454 1080 A 115 VAL HGy% A 116 PRO HGy 1.0 . 4.44 1455 1081 A 115 VAL HGy% A 116 PRO HDy 1.0 . 3.69 1456 1081 A 115 VAL HGx% A 116 PRO HDy 1.0 . 3.69 1457 1081 A 116 PRO HDx A 115 VAL HGx% 1.0 . 3.69 1458 1081 A 115 VAL HGy% A 116 PRO HDx 1.0 . 3.69 1459 1082 A 117 ARG H A 115 VAL HGx% 1.0 . 4.91 1460 1082 A 117 ARG H A 115 VAL HGy% 1.0 . 4.91 1461 1083 A 117 ARG H A 116 PRO HBy 1.0 . 3.56 1462 1083 A 117 ARG H A 116 PRO HBx 1.0 . 3.56 1463 1084 A 117 ARG H A 116 PRO HGx 1.0 . 3.55 1464 1084 A 117 ARG H A 116 PRO HGy 1.0 . 3.55 1465 1085 A 117 ARG H A 117 ARG HBy 1.0 . 3.65 1466 1085 A 117 ARG H A 117 ARG HBx 1.0 . 3.65 1467 1086 A 117 ARG H A 117 ARG HGy 1.0 . 4.57 1468 1086 A 117 ARG H A 117 ARG HGx 1.0 . 4.57 1469 1087 A 117 ARG HA A 117 ARG HGy 1.0 . 3.61 1470 1087 A 117 ARG HA A 117 ARG HGx 1.0 . 3.61 1471 1088 A 117 ARG HA A 117 ARG HDy 1.0 . 4.46 1472 1088 A 117 ARG HA A 117 ARG HDx 1.0 . 4.46 1473 1089 A 118 ALA H A 117 ARG HBy 1.0 . 4.16 1474 1089 A 118 ALA H A 117 ARG HBx 1.0 . 4.16 1475 1090 A 118 ALA H A 117 ARG HGy 1.0 . 4.73 1476 1090 A 118 ALA H A 117 ARG HGx 1.0 . 4.73 1477 1091 A 124 VAL H A 124 VAL HG11 1.0 . 3.59 1478 1091 A 124 VAL H A 124 VAL HGy% 1.0 . 3.59 1479 1092 A 125 ASP H A 124 VAL HG11 1.0 . 4.03 1480 1092 A 125 ASP H A 124 VAL HGy% 1.0 . 4.03 1481 1093 A 127 PHE H A 127 PHE HBy 1.0 . 3.26 1482 1093 A 127 PHE H A 127 PHE HBx 1.0 . 3.26 1483 1094 A 128 LYS H A 127 PHE HBy 1.0 . 4.17 1484 1094 A 127 PHE HBx A 128 LYS H 1.0 . 4.17 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 54 CYS SG A 60 CYS SG 1.0 . 3.6 2 2 A 54 CYS SG A 63 CYS SG 1.0 . 6.5 3 3 A 54 CYS SG A 100 CYS SG 1.0 . 5.5 4 4 A 60 CYS SG A 63 CYS SG 1.0 . 5.5 5 5 A 60 CYS SG A 100 CYS SG 1.0 . 6.5 6 6 A 63 CYS SG A 100 CYS SG 1.0 . 3.6 7 7 A 54 CYS SG A 60 CYS SG 1.0 . 3.5 8 8 A 54 CYS SG A 63 CYS SG 1.0 . 6.4 9 9 A 54 CYS SG A 100 CYS SG 1.0 . 5.4 10 10 A 60 CYS SG A 63 CYS SG 1.0 . 5.4 11 11 A 60 CYS SG A 100 CYS SG 1.0 . 6.4 12 12 A 63 CYS SG A 100 CYS SG 1.0 . 3.5 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 20 ILE H A 31 ALA O 1.0 . 2.0 2 2 A 31 ALA O A 20 ILE N 1.0 . 3.0 3 3 A 21 PHE H A 111 ALA O 1.0 . 2.0 4 4 A 111 ALA O A 21 PHE N 1.0 . 3.0 5 5 A 22 PHE H A 29 VAL O 1.0 . 2.0 6 6 A 29 VAL O A 22 PHE N 1.0 . 3.0 7 7 A 23 LYS H A 113 PHE O 1.0 . 2.0 8 8 A 113 PHE O A 23 LYS N 1.0 . 3.0 9 9 A 29 VAL H A 22 PHE O 1.0 . 2.0 10 10 A 22 PHE O A 29 VAL N 1.0 . 3.0 11 11 A 31 ALA H A 20 ILE O 1.0 . 2.0 12 12 A 20 ILE O A 31 ALA N 1.0 . 3.0 13 13 A 33 ALA H A 18 ILE O 1.0 . 2.0 14 14 A 18 ILE O A 33 ALA N 1.0 . 3.0 15 15 A 37 SER H A 34 VAL O 1.0 . 2.0 16 16 A 34 VAL O A 37 SER N 1.0 . 3.0 17 17 A 42 VAL H A 38 THR O 1.0 . 3.0 18 18 A 38 THR O A 42 VAL N 1.0 . 2.0 19 19 A 43 ALA H A 39 VAL O 1.0 . 2.0 20 20 A 39 VAL O A 43 ALA N 1.0 . 3.0 21 21 A 65 VAL H A 96 SER O 1.0 . 3.0 22 22 A 96 SER O A 65 VAL N 1.0 . 2.0 23 23 A 66 ILE H A 114 THR O 1.0 . 2.0 24 24 A 114 THR O A 66 ILE N 1.0 . 3.0 25 25 A 68 GLU H A 112 VAL O 1.0 . 2.0 26 26 A 112 VAL O A 68 GLU N 1.0 . 3.0 27 27 A 67 LEU H A 95 THR O 1.0 . 2.0 28 28 A 95 THR O A 67 LEU N 1.0 . 3.0 29 29 A 72 TYR H A 68 GLU O 1.0 . 2.0 30 30 A 68 GLU O A 72 TYR N 1.0 . 3.0 31 31 A 73 ARG H A 69 GLU O 1.0 . 2.0 32 32 A 69 GLU O A 73 ARG N 1.0 . 3.0 33 33 A 74 LYS H A 70 PRO O 1.0 . 2.0 34 34 A 70 PRO O A 74 LYS N 1.0 . 3.0 35 35 A 75 LEU H A 71 LEU O 1.0 . 2.0 36 36 A 71 LEU O A 75 LEU N 1.0 . 3.0 37 37 A 83 TYR H A 79 SER O 1.0 . 2.0 38 38 A 79 SER O A 83 TYR N 1.0 . 3.0 39 39 A 84 ASP H A 80 ASP O 1.0 . 2.0 40 40 A 80 ASP O A 84 ASP N 1.0 . 3.0 41 41 A 85 LEU H A 81 LYS O 1.0 . 2.0 42 42 A 81 LYS O A 85 LEU N 1.0 . 3.0 43 43 A 86 ILE H A 82 GLU O 1.0 . 2.0 44 44 A 82 GLU O A 86 ILE N 1.0 . 3.0 45 45 A 87 ASP H A 83 TYR O 1.0 . 2.0 46 46 A 83 TYR O A 87 ASP N 1.0 . 3.0 47 47 A 96 SER H A 93 THR O 1.0 . 2.0 48 48 A 93 THR O A 96 SER N 1.0 . 3.0 49 49 A 97 ARG H A 94 GLY O 1.0 . 2.0 50 50 A 94 GLY O A 97 ARG N 1.0 . 3.0 51 51 A 108 PHE H A 105 ASP O 1.0 . 2.0 52 52 A 105 ASP O A 108 PHE N 1.0 . 3.0 53 53 A 109 GLU H A 106 LYS O 1.0 . 2.0 54 54 A 106 LYS O A 109 GLU N 1.0 . 3.0 55 55 A 110 ASN H A 19 ARG O 1.0 . 2.0 56 56 A 19 ARG O A 110 ASN N 1.0 . 3.0 57 57 A 111 ALA H A 108 PHE O 1.0 . 2.0 58 58 A 108 PHE O A 111 ALA N 1.0 . 3.0 59 59 A 113 PHE H A 21 PHE O 1.0 . 2.0 60 60 A 21 PHE O A 113 PHE N 1.0 . 3.0 61 61 A 114 THR H A 66 ILE O 1.0 . 2.0 62 62 A 66 ILE O A 114 THR N 1.0 . 3.0 63 63 A 115 VAL H A 23 LYS O 1.0 . 2.0 64 64 A 23 LYS O A 115 VAL N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 20 ILE H A 31 ALA O 1.0 . 1.8 2 2 A 31 ALA O A 20 ILE N 1.0 . 2.7 3 3 A 21 PHE H A 111 ALA O 1.0 . 1.8 4 4 A 111 ALA O A 21 PHE N 1.0 . 2.7 5 5 A 22 PHE H A 29 VAL O 1.0 . 1.8 6 6 A 29 VAL O A 22 PHE N 1.0 . 2.7 7 7 A 23 LYS H A 113 PHE O 1.0 . 1.8 8 8 A 113 PHE O A 23 LYS N 1.0 . 2.7 9 9 A 29 VAL H A 22 PHE O 1.0 . 1.8 10 10 A 22 PHE O A 29 VAL N 1.0 . 2.7 11 11 A 31 ALA H A 20 ILE O 1.0 . 1.8 12 12 A 20 ILE O A 31 ALA N 1.0 . 2.7 13 13 A 33 ALA H A 18 ILE O 1.0 . 1.8 14 14 A 18 ILE O A 33 ALA N 1.0 . 2.7 15 15 A 37 SER H A 34 VAL O 1.0 . 1.8 16 16 A 34 VAL O A 37 SER N 1.0 . 2.7 17 17 A 42 VAL H A 38 THR O 1.0 . 2.7 18 18 A 38 THR O A 42 VAL N 1.0 . 1.8 19 19 A 43 ALA H A 39 VAL O 1.0 . 1.8 20 20 A 39 VAL O A 43 ALA N 1.0 . 2.7 21 21 A 65 VAL H A 96 SER O 1.0 . 2.7 22 22 A 96 SER O A 65 VAL N 1.0 . 1.8 23 23 A 66 ILE H A 114 THR O 1.0 . 1.8 24 24 A 114 THR O A 66 ILE N 1.0 . 2.7 25 25 A 68 GLU H A 112 VAL O 1.0 . 1.8 26 26 A 112 VAL O A 68 GLU N 1.0 . 2.7 27 27 A 67 LEU H A 95 THR O 1.0 . 1.8 28 28 A 95 THR O A 67 LEU N 1.0 . 2.7 29 29 A 72 TYR H A 68 GLU O 1.0 . 1.8 30 30 A 68 GLU O A 72 TYR N 1.0 . 2.7 31 31 A 73 ARG H A 69 GLU O 1.0 . 1.8 32 32 A 69 GLU O A 73 ARG N 1.0 . 2.7 33 33 A 74 LYS H A 70 PRO O 1.0 . 1.8 34 34 A 70 PRO O A 74 LYS N 1.0 . 2.7 35 35 A 75 LEU H A 71 LEU O 1.0 . 1.8 36 36 A 71 LEU O A 75 LEU N 1.0 . 2.7 37 37 A 83 TYR H A 79 SER O 1.0 . 1.8 38 38 A 79 SER O A 83 TYR N 1.0 . 2.7 39 39 A 84 ASP H A 80 ASP O 1.0 . 1.8 40 40 A 80 ASP O A 84 ASP N 1.0 . 2.7 41 41 A 85 LEU H A 81 LYS O 1.0 . 1.8 42 42 A 81 LYS O A 85 LEU N 1.0 . 2.7 43 43 A 86 ILE H A 82 GLU O 1.0 . 1.8 44 44 A 82 GLU O A 86 ILE N 1.0 . 2.7 45 45 A 87 ASP H A 83 TYR O 1.0 . 1.8 46 46 A 83 TYR O A 87 ASP N 1.0 . 2.7 47 47 A 96 SER H A 93 THR O 1.0 . 1.8 48 48 A 93 THR O A 96 SER N 1.0 . 2.7 49 49 A 97 ARG H A 94 GLY O 1.0 . 1.8 50 50 A 94 GLY O A 97 ARG N 1.0 . 2.7 51 51 A 108 PHE H A 105 ASP O 1.0 . 1.8 52 52 A 105 ASP O A 108 PHE N 1.0 . 2.7 53 53 A 109 GLU H A 106 LYS O 1.0 . 1.8 54 54 A 106 LYS O A 109 GLU N 1.0 . 2.7 55 55 A 110 ASN H A 19 ARG O 1.0 . 1.8 56 56 A 19 ARG O A 110 ASN N 1.0 . 2.7 57 57 A 111 ALA H A 108 PHE O 1.0 . 1.8 58 58 A 108 PHE O A 111 ALA N 1.0 . 2.7 59 59 A 113 PHE H A 21 PHE O 1.0 . 1.8 60 60 A 21 PHE O A 113 PHE N 1.0 . 2.7 61 61 A 114 THR H A 66 ILE O 1.0 . 1.8 62 62 A 66 ILE O A 114 THR N 1.0 . 2.7 63 63 A 115 VAL H A 23 LYS O 1.0 . 1.8 64 64 A 23 LYS O A 115 VAL N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 6 ASP C A 7 MET N A 7 MET CA A 7 MET C 1.0 -145.7 -13.2 PHI 2 2 A 7 MET N A 7 MET CA A 7 MET C A 8 PHE N 1.0 81.7 197.9 PSI 3 3 A 7 MET C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -155.5 -113.1 PHI 4 4 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 SER N 1.0 136.0 166.5 PSI 5 5 A 11 PRO C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -121.4 -62.0 PHI 6 6 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ARG N 1.0 -22.9 25.0 PSI 7 7 A 15 PRO C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -144.3 -49.5 PHI 8 8 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLN N 1.0 96.0 156.6 PSI 9 9 A 16 GLU C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -140.9 -74.1 PHI 10 10 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ILE N 1.0 88.7 191.3 PSI 11 11 A 17 GLN C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -141.8 -118.0 PHI 12 12 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ARG N 1.0 117.1 176.8 PSI 13 13 A 18 ILE C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -146.8 -71.4 PHI 14 14 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ILE N 1.0 96.7 165.4 PSI 15 15 A 19 ARG C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -160.2 -114.5 PHI 16 16 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 PHE N 1.0 145.6 188.3 PSI 17 17 A 20 ILE C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -174.9 -93.9 PHI 18 18 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 PHE N 1.0 126.7 176.2 PSI 19 19 A 21 PHE C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -172.7 -90.2 PHI 20 20 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 LYS N 1.0 103.3 148.5 PSI 21 21 A 22 PHE C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -142.7 -71.1 PHI 22 22 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 THR N 1.0 99.9 144.2 PSI 23 23 A 23 LYS C A 24 THR N A 24 THR CA A 24 THR C 1.0 -140.7 -58.7 PHI 24 24 A 24 THR N A 24 THR CA A 24 THR C A 25 MET N 1.0 141.5 203.1 PSI 25 25 A 24 THR C A 25 MET N A 25 MET CA A 25 MET C 1.0 -75.6 -52.4 PHI 26 26 A 25 MET N A 25 MET CA A 25 MET C A 26 LYS N 1.0 -50.2 -8.2 PSI 27 27 A 25 MET C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -136.1 -65.4 PHI 28 28 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 GLN N 1.0 -37.3 27.5 PSI 29 29 A 26 LYS C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -196.5 -56.9 PHI 30 30 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 VAL N 1.0 111.0 176.1 PSI 31 31 A 27 GLN C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -132.2 -70.9 PHI 32 32 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 VAL N 1.0 103.3 147.8 PSI 33 33 A 28 VAL C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -158.3 -65.3 PHI 34 34 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 PRO N 1.0 89.7 150.0 PSI 35 35 A 30 PRO C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -165.0 -83.0 PHI 36 36 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 LYS N 1.0 104.4 186.2 PSI 37 37 A 31 ALA C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -135.7 -65.6 PHI 38 38 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ALA N 1.0 102.0 149.5 PSI 39 39 A 32 LYS C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -152.0 -91.2 PHI 40 40 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 VAL N 1.0 116.6 164.1 PSI 41 41 A 33 ALA C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -106.9 -73.2 PHI 42 42 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 CYS N 1.0 97.2 168.9 PSI 43 43 A 35 CYS C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 63.3 106.3 PHI 44 44 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 SER N 1.0 -32.3 25.3 PSI 45 45 A 40 LEU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -72.2 -52.2 PHI 46 46 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 VAL N 1.0 -52.0 -32.0 PSI 47 47 A 41 ASP C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -76.0 -53.7 PHI 48 48 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ALA N 1.0 -53.0 -24.6 PSI 49 49 A 42 VAL C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -75.5 -50.5 PHI 50 50 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 HIS N 1.0 -54.5 -28.4 PSI 51 51 A 43 ALA C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -73.5 -53.5 PHI 52 52 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 LYS N 1.0 -52.8 -21.1 PSI 53 53 A 44 HIS C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -90.2 -50.9 PHI 54 54 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ASN N 1.0 -54.7 -8.6 PSI 55 55 A 45 LYS C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -117.2 -72.1 PHI 56 56 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 GLY N 1.0 -33.9 23.5 PSI 57 57 A 46 ASN C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 58.7 109.1 PHI 58 58 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 VAL N 1.0 -12.2 42.1 PSI 59 59 A 47 GLY C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -111.3 -49.9 PHI 60 60 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 ASP N 1.0 98.9 156.3 PSI 61 61 A 48 VAL C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -132.0 -62.7 PHI 62 62 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 LEU N 1.0 80.8 171.2 PSI 63 63 A 49 ASP C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -162.1 -76.1 PHI 64 64 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 GLU N 1.0 104.9 147.5 PSI 65 65 A 50 LEU C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -135.6 -21.2 PHI 66 66 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLY N 1.0 111.8 152.5 PSI 67 67 A 64 HIS C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -149.8 -129.8 PHI 68 68 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 ILE N 1.0 130.5 178.8 PSI 69 69 A 65 VAL C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -164.6 -92.5 PHI 70 70 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 LEU N 1.0 97.0 176.8 PSI 71 71 A 66 ILE C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -135.0 -36.3 PHI 72 72 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 GLU N 1.0 118.5 166.5 PSI 73 73 A 67 LEU C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -146.0 -39.9 PHI 74 74 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 GLU N 1.0 121.9 183.2 PSI 75 75 A 68 GLU C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -71.5 -37.9 PHI 76 76 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 PRO N 1.0 -63.5 -25.0 PSI 77 77 A 70 PRO C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -83.4 -48.1 PHI 78 78 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 TYR N 1.0 -52.4 -21.0 PSI 79 79 A 71 LEU C A 72 TYR N A 72 TYR CA A 72 TYR C 1.0 -78.1 -49.1 PHI 80 80 A 72 TYR N A 72 TYR CA A 72 TYR C A 73 ARG N 1.0 -54.2 -28.1 PSI 81 81 A 72 TYR C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -81.4 -47.0 PHI 82 82 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 LYS N 1.0 -66.1 -10.4 PSI 83 83 A 73 ARG C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -78.0 -52.6 PHI 84 84 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 LEU N 1.0 -55.4 -21.8 PSI 85 85 A 74 LYS C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -118.5 -63.4 PHI 86 86 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 GLY N 1.0 -62.4 23.8 PSI 87 87 A 76 GLY C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -137.5 -65.5 PHI 88 88 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 PRO N 1.0 65.8 189.7 PSI 89 89 A 78 PRO C A 79 SER N A 79 SER CA A 79 SER C 1.0 -134.0 -58.2 PHI 90 90 A 79 SER N A 79 SER CA A 79 SER C A 80 ASP N 1.0 102.6 200.4 PSI 91 91 A 79 SER C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -76.0 -36.7 PHI 92 92 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 LYS N 1.0 -52.5 -25.8 PSI 93 93 A 80 ASP C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -75.3 -54.0 PHI 94 94 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 GLU N 1.0 -59.5 -17.8 PSI 95 95 A 81 LYS C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -74.6 -54.0 PHI 96 96 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 TYR N 1.0 -51.9 -27.6 PSI 97 97 A 82 GLU C A 83 TYR N A 83 TYR CA A 83 TYR C 1.0 -75.8 -53.7 PHI 98 98 A 83 TYR N A 83 TYR CA A 83 TYR C A 84 ASP N 1.0 -58.3 -30.5 PSI 99 99 A 83 TYR C A 84 ASP N A 84 ASP CA A 84 ASP C 1.0 -71.5 -51.5 PHI 100 100 A 84 ASP N A 84 ASP CA A 84 ASP C A 85 LEU N 1.0 -50.9 -30.9 PSI 101 101 A 84 ASP C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -74.0 -54.0 PHI 102 102 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ILE N 1.0 -55.6 -29.2 PSI 103 103 A 85 LEU C A 86 ILE N A 86 ILE CA A 86 ILE C 1.0 -74.4 -54.4 PHI 104 104 A 86 ILE N A 86 ILE CA A 86 ILE C A 87 ASP N 1.0 -55.3 -35.1 PSI 105 105 A 86 ILE C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -86.9 -53.4 PHI 106 106 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 GLN N 1.0 -54.4 -5.4 PSI 107 107 A 87 ASP C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -110.6 -76.3 PHI 108 108 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 ALA N 1.0 -36.4 35.5 PSI 109 109 A 88 GLN C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -151.6 -39.3 PHI 110 110 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 PHE N 1.0 110.1 164.3 PSI 111 111 A 89 ALA C A 90 PHE N A 90 PHE CA A 90 PHE C 1.0 -89.9 -37.5 PHI 112 112 A 90 PHE N A 90 PHE CA A 90 PHE C A 91 GLY N 1.0 108.5 164.0 PSI 113 113 A 94 GLY C A 95 THR N A 95 THR CA A 95 THR C 1.0 -137.2 -82.9 PHI 114 114 A 95 THR N A 95 THR CA A 95 THR C A 96 SER N 1.0 -41.2 47.9 PSI 115 115 A 95 THR C A 96 SER N A 96 SER CA A 96 SER C 1.0 -98.3 -59.9 PHI 116 116 A 96 SER N A 96 SER CA A 96 SER C A 97 ARG N 1.0 -61.3 7.2 PSI 117 117 A 96 SER C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -160.4 -92.8 PHI 118 118 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 LEU N 1.0 128.5 168.2 PSI 119 119 A 102 LEU C A 103 ARG N A 103 ARG CA A 103 ARG C 1.0 -152.3 -58.1 PHI 120 120 A 103 ARG N A 103 ARG CA A 103 ARG C A 104 VAL N 1.0 85.3 170.4 PSI 121 121 A 103 ARG C A 104 VAL N A 104 VAL CA A 104 VAL C 1.0 -109.9 -59.8 PHI 122 122 A 104 VAL N A 104 VAL CA A 104 VAL C A 105 ASP N 1.0 113.5 154.1 PSI 123 123 A 104 VAL C A 105 ASP N A 105 ASP CA A 105 ASP C 1.0 -136.6 -59.6 PHI 124 124 A 105 ASP N A 105 ASP CA A 105 ASP C A 106 LYS N 1.0 96.6 221.9 PSI 125 125 A 105 ASP C A 106 LYS N A 106 LYS CA A 106 LYS C 1.0 -71.2 -51.2 PHI 126 126 A 106 LYS N A 106 LYS CA A 106 LYS C A 107 SER N 1.0 -52.3 -5.2 PSI 127 127 A 106 LYS C A 107 SER N A 107 SER CA A 107 SER C 1.0 -84.9 -51.8 PHI 128 128 A 107 SER N A 107 SER CA A 107 SER C A 108 PHE N 1.0 -59.9 6.2 PSI 129 129 A 107 SER C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -134.4 -41.9 PHI 130 130 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 GLU N 1.0 -78.8 49.6 PSI 131 131 A 112 VAL C A 113 PHE N A 113 PHE CA A 113 PHE C 1.0 -153.2 -72.3 PHI 132 132 A 113 PHE N A 113 PHE CA A 113 PHE C A 114 THR N 1.0 95.0 145.1 PSI 133 133 A 113 PHE C A 114 THR N A 114 THR CA A 114 THR C 1.0 -140.9 -63.1 PHI 134 134 A 114 THR N A 114 THR CA A 114 THR C A 115 VAL N 1.0 106.4 130.8 PSI 135 135 A 114 THR C A 115 VAL N A 115 VAL CA A 115 VAL C 1.0 -155.4 -65.6 PHI 136 136 A 115 VAL N A 115 VAL CA A 115 VAL C A 116 PRO N 1.0 77.8 162.5 PSI 137 137 A 116 PRO C A 117 ARG N A 117 ARG CA A 117 ARG C 1.0 -162.5 -60.8 PHI 138 138 A 117 ARG N A 117 ARG CA A 117 ARG C A 118 ALA N 1.0 103.3 169.1 PSI stop_ save_