data_nef_c25493_5odd 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 5ODD stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 ALA middle . . 4 A 4 ALA middle . . 5 A 5 PRO middle . false 6 A 6 ALA middle . . 7 A 7 SER middle . . 8 A 8 PRO middle . false 9 A 9 GLN middle . . 10 A 10 GLN middle . . 11 A 11 ILE middle . . 12 A 12 ARG middle . . 13 A 13 ASP middle . . 14 A 14 ARG middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 GLN middle . . 18 A 18 ALA middle . . 19 A 19 ILE middle . . 20 A 20 ASP middle . . 21 A 21 PRO middle . false 22 A 22 GLN middle . . 23 A 23 SER middle . . 24 A 24 ASN middle . . 25 A 25 ILE middle . . 26 A 26 ARG middle . . 27 A 27 ASN middle . . 28 A 28 MET middle . . 29 A 29 VAL middle . . 30 A 30 ALA middle . . 31 A 31 VAL middle . . 32 A 32 LEU middle . . 33 A 33 GLU middle . . 34 A 34 VAL middle . . 35 A 35 ILE middle . . 36 A 36 SER middle . . 37 A 37 SER middle . . 38 A 38 LEU middle . . 39 A 39 GLU middle . . 40 A 40 LYS middle . . 41 A 41 TYR middle . . 42 A 42 PRO middle . false 43 A 43 ILE middle . . 44 A 44 THR middle . . 45 A 45 LYS middle . . 46 A 46 GLU middle . . 47 A 47 ALA middle . . 48 A 48 LEU middle . . 49 A 49 GLU middle . . 50 A 50 GLU middle . . 51 A 51 THR middle . . 52 A 52 ARG middle . . 53 A 53 LEU middle . . 54 A 54 GLY middle . false 55 A 55 LYS middle . . 56 A 56 LEU middle . . 57 A 57 ILE middle . . 58 A 58 ASN middle . . 59 A 59 ASP middle . . 60 A 60 VAL middle . . 61 A 61 ARG middle . . 62 A 62 LYS middle . . 63 A 63 LYS middle . . 64 A 64 THR middle . . 65 A 65 LYS middle . . 66 A 66 ASN middle . . 67 A 67 GLU middle . . 68 A 68 GLU middle . . 69 A 69 LEU middle . . 70 A 70 ALA middle . . 71 A 71 LYS middle . . 72 A 72 ARG middle . . 73 A 73 ALA middle . . 74 A 74 LYS middle . . 75 A 75 LYS middle . . 76 A 76 LEU middle . . 77 A 77 LEU middle . . 78 A 78 ARG middle . . 79 A 79 SER middle . . 80 A 80 TRP middle . . 81 A 81 GLN middle . . 82 A 82 LYS middle . . 83 A 83 LEU middle . . 84 A 84 ILE middle . . 85 A 85 GLU middle . . 86 A 86 PRO middle . false 87 A 87 ALA middle . . 88 A 88 HIS middle . . 89 A 89 GLN middle . . 90 A 90 HIS middle . . 91 A 91 GLU middle . . 92 A 92 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 THR C C 13 173.9 0.3 A 2 THR CA C 13 61.9 0.3 A 2 THR CB C 13 69.9 0.3 A 3 ALA H H 1 8.36 0.02 A 3 ALA HA H 1 4.31 0.02 A 3 ALA HB% H 1 1.35 0.02 A 3 ALA C C 13 176.8 0.3 A 3 ALA CA C 13 52.1 0.3 A 3 ALA CB C 13 19.4 0.3 A 3 ALA N N 15 127.2 0.3 A 4 ALA H H 1 8.27 0.02 A 4 ALA HA H 1 4.43 0.02 A 4 ALA HB% H 1 1.29 0.02 A 4 ALA CA C 13 50.5 0.3 A 4 ALA CB C 13 18.3 0.3 A 4 ALA N N 15 125.1 0.3 A 5 PRO HA H 1 4.26 0.02 A 5 PRO HB2 H 1 2.02 0.02 A 5 PRO HB3 H 1 1.77 0.02 A 5 PRO HDy H 1 3.63 0.02 A 5 PRO HDx H 1 3.50 0.02 A 5 PRO C C 13 176.3 0.3 A 5 PRO CA C 13 63.0 0.3 A 5 PRO CB C 13 31.9 0.3 A 5 PRO CD C 13 50.5 0.3 A 5 PRO CG C 13 27.4 0.3 A 6 ALA H H 1 8.04 0.02 A 6 ALA HA H 1 4.42 0.02 A 6 ALA HB% H 1 1.31 0.02 A 6 ALA C C 13 176.7 0.3 A 6 ALA CA C 13 51.6 0.3 A 6 ALA CB C 13 19.9 0.3 A 6 ALA N N 15 123.7 0.3 A 7 SER H H 1 8.43 0.02 A 7 SER HA H 1 4.75 0.02 A 7 SER HBy H 1 4.43 0.02 A 7 SER HBx H 1 3.94 0.02 A 7 SER CA C 13 56.0 0.3 A 7 SER CB C 13 63.3 0.3 A 7 SER N N 15 117.1 0.3 A 8 PRO HA H 1 3.94 0.02 A 8 PRO HBy H 1 1.95 0.02 A 8 PRO HBx H 1 1.86 0.02 A 8 PRO C C 13 177.4 0.3 A 8 PRO CA C 13 65.8 0.3 A 8 PRO CB C 13 32.0 0.3 A 8 PRO CG C 13 28.6 0.3 A 9 GLN H H 1 8.35 0.02 A 9 GLN HA H 1 3.66 0.02 A 9 GLN HBy H 1 2.08 0.02 A 9 GLN HBx H 1 1.94 0.02 A 9 GLN HE21 H 1 6.83 0.02 A 9 GLN HE22 H 1 7.75 0.02 A 9 GLN HGy H 1 2.53 0.02 A 9 GLN HGx H 1 2.21 0.02 A 9 GLN C C 13 177.5 0.3 A 9 GLN CA C 13 60.3 0.3 A 9 GLN CB C 13 27.5 0.3 A 9 GLN CG C 13 34.7 0.3 A 9 GLN N N 15 116.0 0.3 A 9 GLN NE2 N 15 112.3 0.3 A 10 GLN H H 1 7.68 0.02 A 10 GLN HA H 1 4.08 0.02 A 10 GLN HBx H 1 1.95 0.02 A 10 GLN HBy H 1 2.05 0.02 A 10 GLN HE2x H 1 6.85 0.02 A 10 GLN HE2y H 1 7.52 0.02 A 10 GLN HGx H 1 2.34 0.02 A 10 GLN HGy H 1 2.45 0.02 A 10 GLN C C 13 179.6 0.3 A 10 GLN CA C 13 58.9 0.3 A 10 GLN CB C 13 28.6 0.3 A 10 GLN CG C 13 34.7 0.3 A 10 GLN N N 15 119.2 0.3 A 10 GLN NE2 N 15 112.4 0.3 A 11 ILE H H 1 8.19 0.02 A 11 ILE HA H 1 3.53 0.02 A 11 ILE HB H 1 1.86 0.02 A 11 ILE HD1% H 1 0.58 0.02 A 11 ILE HG2% H 1 0.93 0.02 A 11 ILE C C 13 177.2 0.3 A 11 ILE CA C 13 65.3 0.3 A 11 ILE CB C 13 37.4 0.3 A 11 ILE CD1 C 13 12.8 0.3 A 11 ILE CG1 C 13 29.2 0.3 A 11 ILE CG2 C 13 19.4 0.3 A 11 ILE N N 15 121.3 0.3 A 12 ARG H H 1 8.32 0.02 A 12 ARG HA H 1 3.74 0.02 A 12 ARG HBy H 1 2.23 0.02 A 12 ARG HBx H 1 1.63 0.02 A 12 ARG HDy H 1 3.32 0.02 A 12 ARG HDx H 1 3.21 0.02 A 12 ARG C C 13 177.7 0.3 A 12 ARG CA C 13 60.3 0.3 A 12 ARG CB C 13 28.2 0.3 A 12 ARG CD C 13 42.9 0.3 A 12 ARG CG C 13 26.0 0.3 A 12 ARG N N 15 120.2 0.3 A 13 ASP H H 1 8.28 0.02 A 13 ASP HA H 1 4.33 0.02 A 13 ASP HBy H 1 2.77 0.02 A 13 ASP HBx H 1 2.63 0.02 A 13 ASP C C 13 178.8 0.3 A 13 ASP CA C 13 58.0 0.3 A 13 ASP CB C 13 39.6 0.3 A 13 ASP N N 15 119.2 0.3 A 14 ARG H H 1 7.98 0.02 A 14 ARG HA H 1 3.97 0.02 A 14 ARG C C 13 179.3 0.3 A 14 ARG CA C 13 59.2 0.3 A 14 ARG CB C 13 30.0 0.3 A 14 ARG CD C 13 43.9 0.3 A 14 ARG CG C 13 27.6 0.3 A 14 ARG N N 15 120.4 0.3 A 15 LEU H H 1 8.21 0.02 A 15 LEU HA H 1 3.97 0.02 A 15 LEU HBy H 1 2.22 0.02 A 15 LEU HBx H 1 1.59 0.02 A 15 LEU HD1% H 1 0.93 0.02 A 15 LEU HD2% H 1 0.93 0.02 A 15 LEU C C 13 178.5 0.3 A 15 LEU CA C 13 58.1 0.3 A 15 LEU CB C 13 41.2 0.3 A 15 LEU CD1 C 13 27.3 0.3 A 15 LEU CD2 C 13 23.7 0.3 A 15 LEU CG C 13 27.3 0.3 A 15 LEU N N 15 120.5 0.3 A 16 LEU H H 1 8.31 0.02 A 16 LEU HA H 1 4.00 0.02 A 16 LEU HBy H 1 1.93 0.02 A 16 LEU HBx H 1 1.50 0.02 A 16 LEU HD1% H 1 0.89 0.02 A 16 LEU HD2% H 1 0.89 0.02 A 16 LEU HG H 1 1.60 0.02 A 16 LEU C C 13 179.4 0.3 A 16 LEU CA C 13 57.6 0.3 A 16 LEU CB C 13 41.7 0.3 A 16 LEU CD1 C 13 25.9 0.3 A 16 LEU CD2 C 13 23.0 0.3 A 16 LEU CG C 13 27.0 0.3 A 16 LEU N N 15 116.1 0.3 A 17 GLN H H 1 7.46 0.02 A 17 GLN HA H 1 4.24 0.02 A 17 GLN HBy H 1 2.21 0.02 A 17 GLN HBx H 1 2.12 0.02 A 17 GLN HE21 H 1 6.83 0.02 A 17 GLN HE22 H 1 7.48 0.02 A 17 GLN HGy H 1 2.59 0.02 A 17 GLN HGx H 1 2.48 0.02 A 17 GLN C C 13 176.7 0.3 A 17 GLN CA C 13 57.0 0.3 A 17 GLN CB C 13 28.8 0.3 A 17 GLN CG C 13 34.1 0.3 A 17 GLN N N 15 114.3 0.3 A 17 GLN NE2 N 15 112.0 0.3 A 18 ALA H H 1 7.77 0.02 A 18 ALA HA H 1 4.49 0.02 A 18 ALA HB% H 1 1.72 0.02 A 18 ALA C C 13 176.0 0.3 A 18 ALA CA C 13 52.6 0.3 A 18 ALA CB C 13 22.1 0.3 A 18 ALA N N 15 120.8 0.3 A 19 ILE H H 1 7.36 0.02 A 19 ILE HA H 1 5.20 0.02 A 19 ILE HB H 1 1.77 0.02 A 19 ILE HD1% H 1 0.70 0.02 A 19 ILE HG2% H 1 0.79 0.02 A 19 ILE C C 13 173.6 0.3 A 19 ILE CA C 13 59.2 0.3 A 19 ILE CB C 13 41.8 0.3 A 19 ILE CD1 C 13 14.0 0.3 A 19 ILE CG1 C 13 23.8 0.3 A 19 ILE CG2 C 13 17.2 0.3 A 19 ILE N N 15 113.5 0.3 A 20 ASP H H 1 8.53 0.02 A 20 ASP HA H 1 4.98 0.02 A 20 ASP HBy H 1 3.43 0.02 A 20 ASP HBx H 1 2.45 0.02 A 20 ASP CA C 13 52.1 0.3 A 20 ASP CB C 13 41.2 0.3 A 20 ASP N N 15 122.5 0.3 A 21 PRO HA H 1 4.45 0.02 A 21 PRO HBy H 1 2.47 0.02 A 21 PRO HBx H 1 1.82 0.02 A 21 PRO HDy H 1 3.93 0.02 A 21 PRO HDx H 1 3.60 0.02 A 21 PRO HGy H 1 2.11 0.02 A 21 PRO HGx H 1 1.97 0.02 A 21 PRO C C 13 177.5 0.3 A 21 PRO CA C 13 65.2 0.3 A 21 PRO CB C 13 31.9 0.3 A 21 PRO CD C 13 52.0 0.3 A 21 PRO CG C 13 28.1 0.3 A 22 GLN H H 1 7.95 0.02 A 22 GLN HA H 1 4.42 0.02 A 22 GLN HBy H 1 2.25 0.02 A 22 GLN HBx H 1 1.93 0.02 A 22 GLN HE21 H 1 6.89 0.02 A 22 GLN HE22 H 1 7.56 0.02 A 22 GLN C C 13 174.8 0.3 A 22 GLN CA C 13 55.4 0.3 A 22 GLN CB C 13 28.7 0.3 A 22 GLN N N 15 115.9 0.3 A 22 GLN NE2 N 15 112.0 0.3 A 23 SER H H 1 8.27 0.02 A 23 SER HA H 1 3.73 0.02 A 23 SER HBy H 1 4.15 0.02 A 23 SER HBx H 1 3.85 0.02 A 23 SER C C 13 173.2 0.3 A 23 SER CA C 13 60.3 0.3 A 23 SER CB C 13 59.8 0.3 A 23 SER N N 15 107.9 0.3 A 24 ASN H H 1 8.50 0.02 A 24 ASN HA H 1 4.53 0.02 A 24 ASN HBy H 1 2.80 0.02 A 24 ASN HBx H 1 2.47 0.02 A 24 ASN HD21 H 1 7.16 0.02 A 24 ASN HD22 H 1 8.63 0.02 A 24 ASN C C 13 175.6 0.3 A 24 ASN CA C 13 52.8 0.3 A 24 ASN CB C 13 38.5 0.3 A 24 ASN N N 15 117.0 0.3 A 24 ASN ND2 N 15 119.2 0.3 A 25 ILE H H 1 8.89 0.02 A 25 ILE HA H 1 3.82 0.02 A 25 ILE HB H 1 1.81 0.02 A 25 ILE HD1% H 1 0.90 0.02 A 25 ILE HG1x H 1 0.99 0.02 A 25 ILE HG1y H 1 0.99 0.02 A 25 ILE HG2% H 1 0.90 0.02 A 25 ILE C C 13 176.4 0.3 A 25 ILE CA C 13 63.6 0.3 A 25 ILE CB C 13 38.6 0.3 A 25 ILE CD1 C 13 14.6 0.3 A 25 ILE CG1 C 13 28.6 0.3 A 25 ILE CG2 C 13 17.7 0.3 A 25 ILE N N 15 122.4 0.3 A 26 ARG H H 1 9.07 0.02 A 26 ARG HA H 1 4.53 0.02 A 26 ARG HBy H 1 1.82 0.02 A 26 ARG HBx H 1 1.53 0.02 A 26 ARG C C 13 176.0 0.3 A 26 ARG CA C 13 56.5 0.3 A 26 ARG CB C 13 31.4 0.3 A 26 ARG CD C 13 43.4 0.3 A 26 ARG N N 15 127.6 0.3 A 27 ASN H H 1 7.51 0.02 A 27 ASN HA H 1 4.93 0.02 A 27 ASN HBy H 1 3.02 0.02 A 27 ASN HBx H 1 2.77 0.02 A 27 ASN HD21 H 1 6.84 0.02 A 27 ASN HD22 H 1 7.60 0.02 A 27 ASN C C 13 174.3 0.3 A 27 ASN CA C 13 51.6 0.3 A 27 ASN CB C 13 39.0 0.3 A 27 ASN N N 15 117.3 0.3 A 27 ASN ND2 N 15 111.9 0.3 A 28 MET H H 1 8.94 0.02 A 28 MET HA H 1 4.19 0.02 A 28 MET HGy H 1 2.72 0.02 A 28 MET HGx H 1 2.50 0.02 A 28 MET C C 13 177.3 0.3 A 28 MET CA C 13 57.6 0.3 A 28 MET CB C 13 31.4 0.3 A 28 MET CG C 13 31.9 0.3 A 28 MET N N 15 125.7 0.3 A 29 VAL H H 1 7.91 0.02 A 29 VAL HA H 1 3.52 0.02 A 29 VAL HB H 1 2.13 0.02 A 29 VAL HG1% H 1 1.06 0.02 A 29 VAL HG2% H 1 0.91 0.02 A 29 VAL C C 13 178.8 0.3 A 29 VAL CA C 13 66.9 0.3 A 29 VAL CB C 13 31.5 0.3 A 29 VAL CG1 C 13 22.7 0.3 A 29 VAL CG2 C 13 21.0 0.3 A 29 VAL N N 15 118.6 0.3 A 30 ALA H H 1 7.27 0.02 A 30 ALA HA H 1 4.13 0.02 A 30 ALA HB% H 1 1.39 0.02 A 30 ALA C C 13 180.3 0.3 A 30 ALA CA C 13 54.3 0.3 A 30 ALA CB C 13 18.9 0.3 A 30 ALA N N 15 120.6 0.3 A 31 VAL H H 1 7.64 0.02 A 31 VAL HA H 1 3.38 0.02 A 31 VAL HB H 1 2.22 0.02 A 31 VAL HG1% H 1 1.06 0.02 A 31 VAL HG2% H 1 0.84 0.02 A 31 VAL C C 13 177.7 0.3 A 31 VAL CA C 13 67.7 0.3 A 31 VAL CB C 13 30.9 0.3 A 31 VAL CG1 C 13 25.4 0.3 A 31 VAL CG2 C 13 22.1 0.3 A 31 VAL N N 15 117.9 0.3 A 32 LEU H H 1 8.45 0.02 A 32 LEU HA H 1 3.91 0.02 A 32 LEU HBy H 1 1.93 0.02 A 32 LEU HBx H 1 1.47 0.02 A 32 LEU HD1% H 1 0.85 0.02 A 32 LEU HD2% H 1 0.77 0.02 A 32 LEU HG H 1 1.21 0.02 A 32 LEU C C 13 179.9 0.3 A 32 LEU CA C 13 58.3 0.3 A 32 LEU CB C 13 40.7 0.3 A 32 LEU CD1 C 13 25.5 0.3 A 32 LEU CD2 C 13 23.2 0.3 A 32 LEU CG C 13 27.0 0.3 A 32 LEU N N 15 119.9 0.3 A 33 GLU H H 1 8.08 0.02 A 33 GLU HA H 1 4.06 0.02 A 33 GLU HBy H 1 2.20 0.02 A 33 GLU HBx H 1 2.11 0.02 A 33 GLU C C 13 179.8 0.3 A 33 GLU CA C 13 59.8 0.3 A 33 GLU CB C 13 29.3 0.3 A 33 GLU CG C 13 36.9 0.3 A 33 GLU N N 15 121.2 0.3 A 34 VAL H H 1 8.06 0.02 A 34 VAL HA H 1 3.60 0.02 A 34 VAL HB H 1 2.51 0.02 A 34 VAL HG1% H 1 1.04 0.02 A 34 VAL HG2% H 1 0.91 0.02 A 34 VAL C C 13 177.9 0.3 A 34 VAL CA C 13 67.1 0.3 A 34 VAL CB C 13 30.9 0.3 A 34 VAL CG1 C 13 23.2 0.3 A 34 VAL CG2 C 13 21.6 0.3 A 34 VAL N N 15 122.4 0.3 A 35 ILE H H 1 8.42 0.02 A 35 ILE HA H 1 3.56 0.02 A 35 ILE HB H 1 1.98 0.02 A 35 ILE HD1% H 1 0.60 0.02 A 35 ILE HG1y H 1 1.46 0.02 A 35 ILE HG1x H 1 1.38 0.02 A 35 ILE HG2% H 1 0.71 0.02 A 35 ILE C C 13 177.5 0.3 A 35 ILE CA C 13 64.2 0.3 A 35 ILE CB C 13 36.3 0.3 A 35 ILE CD1 C 13 10.6 0.3 A 35 ILE CG1 C 13 28.7 0.3 A 35 ILE CG2 C 13 17.2 0.3 A 35 ILE N N 15 119.8 0.3 A 36 SER H H 1 8.43 0.02 A 36 SER HA H 1 4.29 0.02 A 36 SER HBy H 1 4.06 0.02 A 36 SER HBx H 1 3.90 0.02 A 36 SER C C 13 177.3 0.3 A 36 SER CA C 13 61.9 0.3 A 36 SER CB C 13 63.1 0.3 A 36 SER N N 15 114.7 0.3 A 37 SER H H 1 8.20 0.02 A 37 SER HA H 1 4.29 0.02 A 37 SER HBy H 1 4.13 0.02 A 37 SER HBx H 1 3.99 0.02 A 37 SER C C 13 176.7 0.3 A 37 SER CA C 13 62.5 0.3 A 37 SER CB C 13 63.1 0.3 A 37 SER N N 15 117.2 0.3 A 38 LEU H H 1 8.15 0.02 A 38 LEU HA H 1 4.37 0.02 A 38 LEU HBy H 1 2.13 0.02 A 38 LEU HBx H 1 1.72 0.02 A 38 LEU HD1% H 1 1.03 0.02 A 38 LEU HD2% H 1 1.03 0.02 A 38 LEU C C 13 178.7 0.3 A 38 LEU CA C 13 57.1 0.3 A 38 LEU CB C 13 42.8 0.3 A 38 LEU CD1 C 13 19.0 0.3 A 38 LEU CD2 C 13 22.9 0.3 A 38 LEU CG C 13 27.1 0.3 A 38 LEU N N 15 121.6 0.3 A 39 GLU H H 1 8.19 0.02 A 39 GLU HA H 1 3.90 0.02 A 39 GLU HBy H 1 2.38 0.02 A 39 GLU HBx H 1 1.88 0.02 A 39 GLU HGy H 1 2.61 0.02 A 39 GLU HGx H 1 2.18 0.02 A 39 GLU C C 13 178.1 0.3 A 39 GLU CA C 13 58.7 0.3 A 39 GLU CB C 13 30.3 0.3 A 39 GLU CG C 13 36.9 0.3 A 39 GLU N N 15 118.6 0.3 A 40 LYS H H 1 7.44 0.02 A 40 LYS HA H 1 4.23 0.02 A 40 LYS HGy H 1 1.36 0.02 A 40 LYS HGx H 1 1.15 0.02 A 40 LYS C C 13 175.8 0.3 A 40 LYS CA C 13 56.6 0.3 A 40 LYS CB C 13 33.6 0.3 A 40 LYS CD C 13 29.2 0.3 A 40 LYS CE C 13 41.9 0.3 A 40 LYS CG C 13 24.9 0.3 A 40 LYS N N 15 116.3 0.3 A 41 TYR H H 1 7.73 0.02 A 41 TYR HA H 1 4.86 0.02 A 41 TYR HBy H 1 3.20 0.02 A 41 TYR HBx H 1 3.06 0.02 A 41 TYR HDx H 1 7.17 0.02 A 41 TYR HDy H 1 7.17 0.02 A 41 TYR HEx H 1 6.84 0.02 A 41 TYR HEy H 1 6.84 0.02 A 41 TYR CA C 13 55.4 0.3 A 41 TYR CB C 13 39.6 0.3 A 41 TYR CD2 C 13 133.4 0.3 A 41 TYR CE2 C 13 117.9 0.3 A 41 TYR N N 15 121.4 0.3 A 42 PRO HA H 1 4.76 0.02 A 42 PRO HBy H 1 2.11 0.02 A 42 PRO HBx H 1 2.01 0.02 A 42 PRO HDy H 1 3.59 0.02 A 42 PRO HDx H 1 3.06 0.02 A 42 PRO HGy H 1 1.91 0.02 A 42 PRO HGx H 1 1.85 0.02 A 42 PRO C C 13 175.8 0.3 A 42 PRO CA C 13 62.5 0.3 A 42 PRO CB C 13 30.3 0.3 A 42 PRO CD C 13 50.6 0.3 A 42 PRO CG C 13 27.6 0.3 A 43 ILE H H 1 8.20 0.02 A 43 ILE HA H 1 4.47 0.02 A 43 ILE HB H 1 1.73 0.02 A 43 ILE HD1% H 1 0.45 0.02 A 43 ILE HG1y H 1 1.45 0.02 A 43 ILE HG1x H 1 1.32 0.02 A 43 ILE HG2% H 1 0.60 0.02 A 43 ILE C C 13 174.3 0.3 A 43 ILE CA C 13 60.3 0.3 A 43 ILE CB C 13 40.7 0.3 A 43 ILE CD1 C 13 13.9 0.3 A 43 ILE CG1 C 13 28.7 0.3 A 43 ILE CG2 C 13 16.6 0.3 A 43 ILE N N 15 124.0 0.3 A 44 THR H H 1 7.33 0.02 A 44 THR HA H 1 4.50 0.02 A 44 THR HB H 1 4.77 0.02 A 44 THR HG2% H 1 1.36 0.02 A 44 THR C C 13 175.1 0.3 A 44 THR CA C 13 59.8 0.3 A 44 THR CB C 13 72.3 0.3 A 44 THR CG2 C 13 22.1 0.3 A 44 THR N N 15 112.2 0.3 A 45 LYS H H 1 9.09 0.02 A 45 LYS HA H 1 3.74 0.02 A 45 LYS HBy H 1 1.89 0.02 A 45 LYS HBx H 1 1.73 0.02 A 45 LYS C C 13 178.2 0.3 A 45 LYS CA C 13 60.0 0.3 A 45 LYS CB C 13 32.5 0.3 A 45 LYS CG C 13 23.2 0.3 A 45 LYS N N 15 121.5 0.3 A 46 GLU H H 1 9.01 0.02 A 46 GLU HA H 1 4.02 0.02 A 46 GLU HBy H 1 2.06 0.02 A 46 GLU HBx H 1 1.92 0.02 A 46 GLU HGy H 1 2.48 0.02 A 46 GLU HGx H 1 2.25 0.02 A 46 GLU C C 13 179.0 0.3 A 46 GLU CA C 13 60.8 0.3 A 46 GLU CB C 13 28.7 0.3 A 46 GLU CG C 13 37.3 0.3 A 46 GLU N N 15 118.4 0.3 A 47 ALA H H 1 7.86 0.02 A 47 ALA HA H 1 4.27 0.02 A 47 ALA HB% H 1 1.42 0.02 A 47 ALA C C 13 181.9 0.3 A 47 ALA CA C 13 54.9 0.3 A 47 ALA CB C 13 18.8 0.3 A 47 ALA N N 15 122.3 0.3 A 48 LEU H H 1 8.26 0.02 A 48 LEU HA H 1 3.58 0.02 A 48 LEU HBy H 1 1.58 0.02 A 48 LEU HBx H 1 1.40 0.02 A 48 LEU HD1% H 1 0.06 0.02 A 48 LEU HD2% H 1 -0.10 0.02 A 48 LEU HG H 1 1.13 0.02 A 48 LEU C C 13 179.8 0.3 A 48 LEU CA C 13 58.7 0.3 A 48 LEU CB C 13 41.3 0.3 A 48 LEU CD1 C 13 24.4 0.3 A 48 LEU CDx C 13 23.7 0.3 A 48 LEU CDy C 13 24.4 0.3 A 48 LEU CG C 13 26.5 0.3 A 48 LEU N N 15 122.2 0.3 A 49 GLU H H 1 8.12 0.02 A 49 GLU HA H 1 4.04 0.02 A 49 GLU C C 13 178.9 0.3 A 49 GLU CA C 13 59.2 0.3 A 49 GLU CB C 13 29.2 0.3 A 49 GLU CG C 13 36.3 0.3 A 49 GLU N N 15 120.4 0.3 A 50 GLU H H 1 8.20 0.02 A 50 GLU HA H 1 4.05 0.02 A 50 GLU HBy H 1 2.17 0.02 A 50 GLU HBx H 1 2.00 0.02 A 50 GLU C C 13 178.8 0.3 A 50 GLU CA C 13 59.2 0.3 A 50 GLU CB C 13 30.3 0.3 A 50 GLU CG C 13 36.3 0.3 A 50 GLU N N 15 118.5 0.3 A 51 THR H H 1 7.84 0.02 A 51 THR HA H 1 4.09 0.02 A 51 THR HB H 1 3.95 0.02 A 51 THR HG2% H 1 1.16 0.02 A 51 THR C C 13 175.4 0.3 A 51 THR CA C 13 63.1 0.3 A 51 THR CB C 13 71.8 0.3 A 51 THR CG2 C 13 21.6 0.3 A 51 THR N N 15 104.7 0.3 A 52 ARG H H 1 7.68 0.02 A 52 ARG HA H 1 4.11 0.02 A 52 ARG HBy H 1 2.10 0.02 A 52 ARG HBx H 1 1.61 0.02 A 52 ARG C C 13 177.2 0.3 A 52 ARG CA C 13 57.3 0.3 A 52 ARG CB C 13 27.5 0.3 A 52 ARG CD C 13 43.4 0.3 A 52 ARG N N 15 114.4 0.3 A 53 LEU H H 1 7.46 0.02 A 53 LEU HA H 1 3.81 0.02 A 53 LEU HBy H 1 1.39 0.02 A 53 LEU HBx H 1 1.26 0.02 A 53 LEU HD1% H 1 0.85 0.02 A 53 LEU HD2% H 1 0.85 0.02 A 53 LEU C C 13 178.2 0.3 A 53 LEU CA C 13 58.7 0.3 A 53 LEU CB C 13 43.4 0.3 A 53 LEU CD1 C 13 24.3 0.3 A 53 LEU CD2 C 13 25.2 0.3 A 53 LEU CG C 13 29.6 0.3 A 53 LEU N N 15 117.2 0.3 A 54 GLY H H 1 8.65 0.02 A 54 GLY HAx H 1 3.78 0.02 A 54 GLY HAy H 1 3.89 0.02 A 54 GLY C C 13 175.5 0.3 A 54 GLY CA C 13 47.2 0.3 A 54 GLY N N 15 105.9 0.3 A 55 LYS H H 1 7.21 0.02 A 55 LYS HA H 1 4.13 0.02 A 55 LYS HGy H 1 1.50 0.02 A 55 LYS HGx H 1 1.43 0.02 A 55 LYS C C 13 178.3 0.3 A 55 LYS CA C 13 59.2 0.3 A 55 LYS CB C 13 32.5 0.3 A 55 LYS CD C 13 29.2 0.3 A 55 LYS CE C 13 41.8 0.3 A 55 LYS CG C 13 25.3 0.3 A 55 LYS N N 15 123.3 0.3 A 56 LEU H H 1 7.90 0.02 A 56 LEU HA H 1 4.18 0.02 A 56 LEU HBy H 1 1.83 0.02 A 56 LEU HBx H 1 1.41 0.02 A 56 LEU HD1% H 1 0.91 0.02 A 56 LEU HD2% H 1 0.91 0.02 A 56 LEU HG H 1 1.61 0.02 A 56 LEU C C 13 179.6 0.3 A 56 LEU CA C 13 57.7 0.3 A 56 LEU CB C 13 43.4 0.3 A 56 LEU CD1 C 13 25.9 0.3 A 56 LEU CD2 C 13 23.8 0.3 A 56 LEU CG C 13 26.5 0.3 A 56 LEU N N 15 117.7 0.3 A 57 ILE H H 1 8.64 0.02 A 57 ILE HA H 1 3.70 0.02 A 57 ILE HB H 1 2.31 0.02 A 57 ILE HD1% H 1 0.68 0.02 A 57 ILE HG1y H 1 1.64 0.02 A 57 ILE HG1x H 1 1.57 0.02 A 57 ILE HG2% H 1 0.76 0.02 A 57 ILE C C 13 177.9 0.3 A 57 ILE CA C 13 63.1 0.3 A 57 ILE CB C 13 35.8 0.3 A 57 ILE CD1 C 13 10.7 0.3 A 57 ILE CG1 C 13 29.2 0.3 A 57 ILE CG2 C 13 17.7 0.3 A 57 ILE N N 15 116.6 0.3 A 58 ASN H H 1 8.12 0.02 A 58 ASN HA H 1 4.37 0.02 A 58 ASN HBy H 1 3.06 0.02 A 58 ASN HBx H 1 2.89 0.02 A 58 ASN HD21 H 1 7.31 0.02 A 58 ASN HD22 H 1 8.03 0.02 A 58 ASN C C 13 176.7 0.3 A 58 ASN CA C 13 57.0 0.3 A 58 ASN CB C 13 38.5 0.3 A 58 ASN N N 15 119.6 0.3 A 58 ASN ND2 N 15 116.2 0.3 A 59 ASP H H 1 8.49 0.02 A 59 ASP HA H 1 4.38 0.02 A 59 ASP HBy H 1 2.95 0.02 A 59 ASP HBx H 1 2.67 0.02 A 59 ASP C C 13 179.4 0.3 A 59 ASP CA C 13 57.6 0.3 A 59 ASP CB C 13 39.6 0.3 A 59 ASP N N 15 119.6 0.3 A 60 VAL H H 1 7.93 0.02 A 60 VAL HA H 1 3.75 0.02 A 60 VAL HB H 1 2.20 0.02 A 60 VAL HG1% H 1 1.12 0.02 A 60 VAL HG2% H 1 0.89 0.02 A 60 VAL C C 13 179.0 0.3 A 60 VAL CA C 13 65.8 0.3 A 60 VAL CB C 13 32.5 0.3 A 60 VAL CG1 C 13 24.3 0.3 A 60 VAL CG2 C 13 21.0 0.3 A 60 VAL N N 15 118.7 0.3 A 61 ARG H H 1 8.62 0.02 A 61 ARG HA H 1 3.65 0.02 A 61 ARG HBy H 1 2.30 0.02 A 61 ARG HBx H 1 1.72 0.02 A 61 ARG C C 13 177.1 0.3 A 61 ARG CA C 13 59.2 0.3 A 61 ARG CB C 13 29.8 0.3 A 61 ARG CD C 13 43.4 0.3 A 61 ARG CG C 13 27.0 0.3 A 61 ARG N N 15 120.9 0.3 A 62 LYS H H 1 7.94 0.02 A 62 LYS HA H 1 3.93 0.02 A 62 LYS C C 13 177.6 0.3 A 62 LYS CA C 13 59.2 0.3 A 62 LYS CB C 13 33.0 0.3 A 62 LYS CD C 13 29.7 0.3 A 62 LYS CE C 13 41.8 0.3 A 62 LYS CG C 13 25.9 0.3 A 62 LYS N N 15 115.7 0.3 A 63 LYS H H 1 7.13 0.02 A 63 LYS HA H 1 4.43 0.02 A 63 LYS HBy H 1 1.94 0.02 A 63 LYS HBx H 1 1.80 0.02 A 63 LYS C C 13 176.9 0.3 A 63 LYS CA C 13 55.4 0.3 A 63 LYS CB C 13 34.1 0.3 A 63 LYS CD C 13 28.7 0.3 A 63 LYS CE C 13 42.3 0.3 A 63 LYS CG C 13 25.3 0.3 A 63 LYS N N 15 115.3 0.3 A 64 THR H H 1 7.25 0.02 A 64 THR HA H 1 4.52 0.02 A 64 THR HB H 1 4.16 0.02 A 64 THR HG2% H 1 1.28 0.02 A 64 THR C C 13 173.2 0.3 A 64 THR CA C 13 62.0 0.3 A 64 THR CB C 13 69.6 0.3 A 64 THR CG2 C 13 19.4 0.3 A 64 THR N N 15 113.5 0.3 A 65 LYS H H 1 8.50 0.02 A 65 LYS HA H 1 4.51 0.02 A 65 LYS HBy H 1 2.11 0.02 A 65 LYS HBx H 1 1.69 0.02 A 65 LYS C C 13 175.9 0.3 A 65 LYS CA C 13 55.4 0.3 A 65 LYS CB C 13 32.0 0.3 A 65 LYS CD C 13 28.7 0.3 A 65 LYS CE C 13 42.3 0.3 A 65 LYS CG C 13 24.9 0.3 A 65 LYS N N 15 125.7 0.3 A 66 ASN H H 1 8.57 0.02 A 66 ASN HA H 1 4.70 0.02 A 66 ASN HBy H 1 3.00 0.02 A 66 ASN HBx H 1 2.61 0.02 A 66 ASN HD21 H 1 7.25 0.02 A 66 ASN HD22 H 1 7.52 0.02 A 66 ASN C C 13 174.4 0.3 A 66 ASN CA C 13 53.2 0.3 A 66 ASN CB C 13 39.0 0.3 A 66 ASN N N 15 122.1 0.3 A 66 ASN ND2 N 15 112.7 0.3 A 67 GLU H H 1 8.85 0.02 A 67 GLU HA H 1 3.99 0.02 A 67 GLU C C 13 178.5 0.3 A 67 GLU CA C 13 59.6 0.3 A 67 GLU CB C 13 29.8 0.3 A 67 GLU CG C 13 36.6 0.3 A 67 GLU N N 15 128.4 0.3 A 68 GLU H H 1 8.19 0.02 A 68 GLU HA H 1 4.03 0.02 A 68 GLU HB2 H 1 2.10 0.02 A 68 GLU HB3 H 1 2.10 0.02 A 68 GLU HG2 H 1 2.25 0.02 A 68 GLU HG3 H 1 2.25 0.02 A 68 GLU C C 13 179.0 0.3 A 68 GLU CA C 13 59.5 0.3 A 68 GLU CB C 13 29.2 0.3 A 68 GLU CG C 13 36.3 0.3 A 68 GLU N N 15 120.4 0.3 A 69 LEU H H 1 8.12 0.02 A 69 LEU HA H 1 3.87 0.02 A 69 LEU HBy H 1 1.93 0.02 A 69 LEU HBx H 1 1.45 0.02 A 69 LEU HD1% H 1 0.86 0.02 A 69 LEU HD2% H 1 0.86 0.02 A 69 LEU C C 13 178.5 0.3 A 69 LEU CA C 13 58.2 0.3 A 69 LEU CB C 13 40.7 0.3 A 69 LEU CD1 C 13 25.6 0.3 A 69 LEU CDx C 13 24.8 0.3 A 69 LEU CDy C 13 25.6 0.3 A 69 LEU CG C 13 28.3 0.3 A 69 LEU N N 15 121.3 0.3 A 70 ALA H H 1 8.33 0.02 A 70 ALA HA H 1 3.74 0.02 A 70 ALA HB% H 1 1.47 0.02 A 70 ALA C C 13 180.1 0.3 A 70 ALA CA C 13 56.5 0.3 A 70 ALA CB C 13 17.7 0.3 A 70 ALA N N 15 121.0 0.3 A 71 LYS H H 1 8.15 0.02 A 71 LYS HA H 1 3.96 0.02 A 71 LYS HBy H 1 1.96 0.02 A 71 LYS HBx H 1 1.88 0.02 A 71 LYS C C 13 179.8 0.3 A 71 LYS CA C 13 60.0 0.3 A 71 LYS CB C 13 32.6 0.3 A 71 LYS CD C 13 29.8 0.3 A 71 LYS CE C 13 41.6 0.3 A 71 LYS CG C 13 25.4 0.3 A 71 LYS N N 15 118.2 0.3 A 72 ARG H H 1 8.14 0.02 A 72 ARG HA H 1 3.99 0.02 A 72 ARG HBy H 1 1.97 0.02 A 72 ARG HBx H 1 1.72 0.02 A 72 ARG C C 13 180.1 0.3 A 72 ARG CA C 13 59.4 0.3 A 72 ARG CB C 13 31.6 0.3 A 72 ARG CD C 13 44.8 0.3 A 72 ARG CG C 13 27.1 0.3 A 72 ARG N N 15 120.6 0.3 A 73 ALA H H 1 8.97 0.02 A 73 ALA HA H 1 3.78 0.02 A 73 ALA HB% H 1 1.26 0.02 A 73 ALA C C 13 178.1 0.3 A 73 ALA CA C 13 55.1 0.3 A 73 ALA CB C 13 17.3 0.3 A 73 ALA N N 15 121.7 0.3 A 74 LYS H H 1 8.20 0.02 A 74 LYS HA H 1 3.74 0.02 A 74 LYS HBy H 1 1.97 0.02 A 74 LYS HBx H 1 1.89 0.02 A 74 LYS HGy H 1 1.43 0.02 A 74 LYS HGx H 1 1.38 0.02 A 74 LYS C C 13 178.3 0.3 A 74 LYS CA C 13 60.3 0.3 A 74 LYS CB C 13 32.5 0.3 A 74 LYS CD C 13 29.7 0.3 A 74 LYS CE C 13 41.7 0.3 A 74 LYS CG C 13 25.4 0.3 A 74 LYS N N 15 117.9 0.3 A 75 LYS H H 1 7.63 0.02 A 75 LYS HA H 1 3.89 0.02 A 75 LYS C C 13 179.2 0.3 A 75 LYS CA C 13 59.8 0.3 A 75 LYS CB C 13 32.4 0.3 A 75 LYS CD C 13 29.4 0.3 A 75 LYS CE C 13 41.8 0.3 A 75 LYS CG C 13 25.4 0.3 A 75 LYS N N 15 118.8 0.3 A 76 LEU H H 1 7.43 0.02 A 76 LEU HA H 1 3.63 0.02 A 76 LEU HBy H 1 1.35 0.02 A 76 LEU HBx H 1 0.80 0.02 A 76 LEU HD1% H 1 0.55 0.02 A 76 LEU HD2% H 1 0.55 0.02 A 76 LEU C C 13 178.2 0.3 A 76 LEU CA C 13 57.6 0.3 A 76 LEU CB C 13 41.8 0.3 A 76 LEU CD1 C 13 25.4 0.3 A 76 LEU CDx C 13 24.5 0.3 A 76 LEU CDy C 13 25.4 0.3 A 76 LEU N N 15 121.4 0.3 A 77 LEU H H 1 7.96 0.02 A 77 LEU HA H 1 3.76 0.02 A 77 LEU HBy H 1 1.80 0.02 A 77 LEU HBx H 1 1.41 0.02 A 77 LEU HD1% H 1 0.81 0.02 A 77 LEU HD2% H 1 0.81 0.02 A 77 LEU HG H 1 1.10 0.02 A 77 LEU C C 13 180.3 0.3 A 77 LEU CA C 13 58.1 0.3 A 77 LEU CB C 13 41.2 0.3 A 77 LEU CD1 C 13 23.7 0.3 A 77 LEU CD2 C 13 26.3 0.3 A 77 LEU CG C 13 28.8 0.3 A 77 LEU N N 15 117.6 0.3 A 78 ARG H H 1 8.11 0.02 A 78 ARG HA H 1 4.11 0.02 A 78 ARG HB2 H 1 1.90 0.02 A 78 ARG HB3 H 1 1.90 0.02 A 78 ARG HGy H 1 1.73 0.02 A 78 ARG HGx H 1 1.65 0.02 A 78 ARG C C 13 179.5 0.3 A 78 ARG CA C 13 59.2 0.3 A 78 ARG CB C 13 29.7 0.3 A 78 ARG CD C 13 43.4 0.3 A 78 ARG CG C 13 27.6 0.3 A 78 ARG N N 15 119.8 0.3 A 79 SER H H 1 7.87 0.02 A 79 SER HA H 1 4.31 0.02 A 79 SER HB2 H 1 4.01 0.02 A 79 SER HB3 H 1 4.01 0.02 A 79 SER C C 13 177.0 0.3 A 79 SER CA C 13 61.5 0.3 A 79 SER CB C 13 62.5 0.3 A 79 SER N N 15 117.8 0.3 A 80 TRP H H 1 8.01 0.02 A 80 TRP HA H 1 4.81 0.02 A 80 TRP HBy H 1 3.35 0.02 A 80 TRP HBx H 1 3.22 0.02 A 80 TRP HD1 H 1 6.97 0.02 A 80 TRP HE1 H 1 10.32 0.02 A 80 TRP HE3 H 1 7.36 0.02 A 80 TRP HH2 H 1 6.86 0.02 A 80 TRP HZ2 H 1 7.35 0.02 A 80 TRP HZ3 H 1 6.61 0.02 A 80 TRP C C 13 178.2 0.3 A 80 TRP CA C 13 56.5 0.3 A 80 TRP CB C 13 29.2 0.3 A 80 TRP CD1 C 13 123.5 0.3 A 80 TRP CE3 C 13 119.9 0.3 A 80 TRP CH2 C 13 120.4 0.3 A 80 TRP CZ2 C 13 123.1 0.3 A 80 TRP CZ3 C 13 113.5 0.3 A 80 TRP N N 15 123.3 0.3 A 80 TRP NE1 N 15 128.0 0.3 A 81 GLN H H 1 8.08 0.02 A 81 GLN HA H 1 4.08 0.02 A 81 GLN HBy H 1 2.32 0.02 A 81 GLN HBx H 1 2.18 0.02 A 81 GLN HE21 H 1 6.84 0.02 A 81 GLN HE22 H 1 7.60 0.02 A 81 GLN HGy H 1 2.52 0.02 A 81 GLN HGx H 1 2.45 0.02 A 81 GLN C C 13 177.6 0.3 A 81 GLN CA C 13 59.2 0.3 A 81 GLN CB C 13 28.2 0.3 A 81 GLN CG C 13 34.1 0.3 A 81 GLN N N 15 120.4 0.3 A 81 GLN NE2 N 15 111.9 0.3 A 82 LYS H H 1 7.77 0.02 A 82 LYS HA H 1 4.22 0.02 A 82 LYS HBy H 1 1.96 0.02 A 82 LYS HBx H 1 1.89 0.02 A 82 LYS HDx H 1 1.72 0.02 A 82 LYS HDy H 1 1.72 0.02 A 82 LYS HEx H 1 2.99 0.02 A 82 LYS HEy H 1 2.99 0.02 A 82 LYS HGx H 1 1.55 0.02 A 82 LYS HGy H 1 1.55 0.02 A 82 LYS C C 13 177.4 0.3 A 82 LYS CA C 13 57.6 0.3 A 82 LYS CB C 13 32.5 0.3 A 82 LYS CD C 13 29.2 0.3 A 82 LYS CG C 13 25.0 0.3 A 82 LYS N N 15 115.6 0.3 A 83 LEU H H 1 7.67 0.02 A 83 LEU HA H 1 4.28 0.02 A 83 LEU HBy H 1 1.88 0.02 A 83 LEU HBx H 1 1.49 0.02 A 83 LEU HDx% H 1 0.87 0.02 A 83 LEU HDy% H 1 0.87 0.02 A 83 LEU HG H 1 1.73 0.02 A 83 LEU C C 13 177.5 0.3 A 83 LEU CA C 13 56.0 0.3 A 83 LEU CB C 13 42.9 0.3 A 83 LEU CD1 C 13 25.5 0.3 A 83 LEU CD2 C 13 23.4 0.3 A 83 LEU CG C 13 24.5 0.3 A 83 LEU N N 15 117.9 0.3 A 84 ILE H H 1 7.49 0.02 A 84 ILE HA H 1 4.13 0.02 A 84 ILE HB H 1 1.93 0.02 A 84 ILE HD1% H 1 0.85 0.02 A 84 ILE HG1y H 1 1.47 0.02 A 84 ILE HG1x H 1 1.22 0.02 A 84 ILE HG2% H 1 0.90 0.02 A 84 ILE C C 13 175.9 0.3 A 84 ILE CA C 13 61.4 0.3 A 84 ILE CB C 13 39.6 0.3 A 84 ILE CD1 C 13 13.4 0.3 A 84 ILE CG1 C 13 27.0 0.3 A 84 ILE CG2 C 13 18.0 0.3 A 84 ILE N N 15 115.4 0.3 A 85 GLU H H 1 8.09 0.02 A 85 GLU HA H 1 4.63 0.02 A 85 GLU HBx H 1 1.95 0.02 A 85 GLU HBy H 1 2.05 0.02 A 85 GLU HG2 H 1 2.31 0.02 A 85 GLU HG3 H 1 2.31 0.02 A 85 GLU C C 13 174.2 0.3 A 85 GLU CA C 13 54.5 0.3 A 85 GLU CB C 13 29.8 0.3 A 85 GLU N N 15 124.0 0.3 A 86 PRO HA H 1 4.33 0.02 A 86 PRO HBx H 1 1.83 0.02 A 86 PRO HBy H 1 2.27 0.02 A 86 PRO C C 13 177.0 0.3 A 86 PRO CA C 13 63.6 0.3 A 86 PRO CB C 13 32.1 0.3 A 86 PRO CD C 13 50.6 0.3 A 86 PRO CG C 13 27.6 0.3 A 87 ALA H H 1 8.41 0.02 A 87 ALA HA H 1 4.24 0.02 A 87 ALA HB% H 1 1.34 0.02 A 87 ALA C C 13 177.0 0.3 A 87 ALA CA C 13 52.8 0.3 A 87 ALA CB C 13 19.1 0.3 A 87 ALA N N 15 123.1 0.3 A 88 HIS H H 1 8.19 0.02 A 88 HIS HA H 1 4.60 0.02 A 88 HIS HBy H 1 3.12 0.02 A 88 HIS HBx H 1 3.04 0.02 A 88 HIS HD2 H 1 7.01 0.02 A 88 HIS C C 13 175.2 0.3 A 88 HIS CA C 13 56.0 0.3 A 88 HIS CB C 13 30.5 0.3 A 88 HIS CD2 C 13 119.9 0.3 A 88 HIS N N 15 117.7 0.3 A 89 GLN H H 1 8.22 0.02 A 89 GLN HA H 1 4.25 0.02 A 89 GLN HBx H 1 1.86 0.02 A 89 GLN HBy H 1 2.02 0.02 A 89 GLN HGx H 1 2.37 0.02 A 89 GLN HGy H 1 2.37 0.02 A 89 GLN C C 13 175.5 0.3 A 89 GLN CA C 13 56.0 0.3 A 89 GLN CB C 13 29.4 0.3 A 89 GLN CG C 13 33.8 0.3 A 89 GLN N N 15 121.4 0.3 A 90 HIS H H 1 8.42 0.02 A 90 HIS HA H 1 4.60 0.02 A 90 HIS HB2 H 1 3.10 0.02 A 90 HIS HB3 H 1 3.10 0.02 A 90 HIS C C 13 175.0 0.3 A 90 HIS CA C 13 56.4 0.3 A 90 HIS CB C 13 30.5 0.3 A 90 HIS N N 15 120.5 0.3 A 91 GLU H H 1 8.36 0.02 A 91 GLU HA H 1 4.29 0.02 A 91 GLU HBx H 1 1.91 0.02 A 91 GLU HBy H 1 2.06 0.02 A 91 GLU HG2 H 1 2.24 0.02 A 91 GLU HG3 H 1 2.24 0.02 A 91 GLU C C 13 175.1 0.3 A 91 GLU CA C 13 56.4 0.3 A 91 GLU CB C 13 30.5 0.3 A 91 GLU CG C 13 36.3 0.3 A 91 GLU N N 15 123.0 0.3 A 92 ALA H H 1 8.01 0.02 A 92 ALA HA H 1 4.10 0.02 A 92 ALA HB% H 1 1.35 0.02 A 92 ALA C C 13 170.5 0.3 A 92 ALA CA C 13 54.0 0.3 A 92 ALA CB C 13 20.1 0.3 A 92 ALA N N 15 130.9 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 66 ASN HBy A 67 GLU H 1.0 0.0 5.50 2 2 A 67 GLU H A 66 ASN HBx 1.0 0.0 5.14 3 3 A 67 GLU H A 66 ASN H 1.0 0.0 5.19 4 4 A 67 GLU H A 66 ASN HA 1.0 0.0 3.29 5 5 A 67 GLU H A 67 GLU HBx 1.0 0.0 3.46 6 5 A 67 GLU H A 67 GLU HBy 1.0 0.0 3.46 7 6 A 67 GLU H A 70 ALA HB% 1.0 0.0 5.36 8 7 A 23 SER H A 24 ASN H 1.0 0.0 3.46 9 8 A 23 SER H A 24 ASN HBy 1.0 0.0 5.47 10 9 A 23 SER H A 22 GLN HBy 1.0 0.0 4.39 11 10 A 23 SER H A 22 GLN HBx 1.0 0.0 4.40 12 11 A 23 SER H A 19 ILE HD1% 1.0 0.0 4.60 13 12 A 67 GLU H A 66 ASN HD22 1.0 0.0 5.50 14 13 A 23 SER H A 20 ASP HA 1.0 0.0 5.50 15 14 A 67 GLU H A 68 GLU HG2 1.0 0.0 5.50 16 14 A 67 GLU H A 68 GLU HG3 1.0 0.0 5.50 17 15 A 42 PRO HBx A 80 TRP HE1 1.0 0.0 5.50 18 16 A 80 TRP HE1 A 77 LEU HA 1.0 0.0 5.50 19 17 A 80 TRP HE1 A 48 LEU HD1% 1.0 0.0 5.50 20 18 A 80 TRP HE1 A 43 ILE H 1.0 0.0 4.85 21 19 A 80 TRP HE1 A 43 ILE HA 1.0 0.0 5.50 22 20 A 80 TRP HE1 A 43 ILE HB 1.0 0.0 4.83 23 21 A 80 TRP HE1 A 38 LEU HD1% 1.0 0.0 5.25 24 21 A 80 TRP HE1 A 38 LEU HD2% 1.0 0.0 5.25 25 22 A 80 TRP HE1 A 76 LEU HD1% 1.0 0.0 3.91 26 22 A 80 TRP HE1 A 76 LEU HD2% 1.0 0.0 3.91 27 23 A 80 TRP HE1 A 42 PRO HBy 1.0 0.0 5.50 28 24 A 80 TRP HE1 A 79 SER HB2 1.0 0.0 5.50 29 24 A 80 TRP HE1 A 79 SER HB3 1.0 0.0 5.50 30 25 A 80 TRP HE1 A 80 TRP HA 1.0 0.0 5.50 31 26 A 80 TRP HE1 A 43 ILE HG2% 1.0 0.0 5.50 32 27 A 26 ARG H A 27 ASN HBy 1.0 0.0 5.50 33 28 A 26 ARG H A 24 ASN HBx 1.0 0.0 5.50 34 29 A 26 ARG H A 27 ASN HA 1.0 0.0 5.50 35 30 A 26 ARG H A 27 ASN HBx 1.0 0.0 5.50 36 31 A 26 ARG H A 19 ILE HA 1.0 0.0 3.97 37 32 A 26 ARG H A 26 ARG HBy 1.0 0.0 4.16 38 33 A 26 ARG H A 26 ARG HBx 1.0 0.0 3.86 39 34 A 26 ARG H A 25 ILE HG2% 1.0 0.0 4.25 40 35 A 26 ARG H A 26 ARG HDx 1.0 0.0 5.50 41 35 A 26 ARG H A 26 ARG HDy 1.0 0.0 5.50 42 36 A 54 GLY H A 56 LEU H 1.0 0.0 5.07 43 37 A 54 GLY H A 52 ARG HA 1.0 0.0 4.32 44 38 A 54 GLY H A 53 LEU HA 1.0 0.0 3.45 45 39 A 54 GLY H A 55 LYS HBx 1.0 0.0 4.68 46 39 A 54 GLY H A 55 LYS HBy 1.0 0.0 4.68 47 40 A 54 GLY H A 48 LEU HBx 1.0 0.0 4.58 48 41 A 54 GLY H A 53 LEU HD1% 1.0 0.0 5.50 49 41 A 54 GLY H A 53 LEU HD2% 1.0 0.0 5.50 50 42 A 48 LEU HD1% A 54 GLY H 1.0 0.0 4.81 51 43 A 54 GLY H A 48 LEU HD2% 1.0 0.0 4.59 52 44 A 54 GLY H A 52 ARG HBy 1.0 0.0 5.50 53 45 A 54 GLY H A 53 LEU HBx 1.0 0.0 5.50 54 46 A 28 MET H A 30 ALA HB% 1.0 0.0 5.50 55 47 A 28 MET H A 28 MET HGy 1.0 0.0 5.50 56 48 A 27 ASN HBx A 28 MET H 1.0 0.0 5.50 57 49 A 66 ASN H A 65 LYS H 1.0 0.0 5.50 58 50 A 66 ASN HBx A 65 LYS H 1.0 0.0 5.50 59 51 A 28 MET H A 31 VAL HB 1.0 0.0 5.50 60 52 A 65 LYS H A 64 THR H 1.0 0.0 5.50 61 53 A 65 LYS H A 64 THR HB 1.0 0.0 5.50 62 54 A 65 LYS H A 70 ALA HA 1.0 0.0 5.50 63 55 A 51 THR H A 53 LEU H 1.0 0.0 4.51 64 56 A 51 THR H A 47 ALA HA 1.0 0.0 4.71 65 57 A 51 THR H A 48 LEU HA 1.0 0.0 4.23 66 58 A 51 THR H A 12 ARG HDx 1.0 0.0 5.50 67 59 A 51 THR H A 50 GLU HBy 1.0 0.0 3.82 68 60 A 51 THR H A 47 ALA HB% 1.0 0.0 4.76 69 61 A 51 THR H A 51 THR HG2% 1.0 0.0 3.74 70 62 A 51 THR H A 53 LEU HD1% 1.0 0.0 5.26 71 62 A 53 LEU HD2% A 51 THR H 1.0 0.0 5.26 72 63 A 51 THR H A 50 GLU HBx 1.0 0.0 3.79 73 64 A 3 ALA HB% A 4 ALA H 1.0 0.0 5.50 74 65 A 43 ILE H A 53 LEU HD1% 1.0 0.0 5.50 75 65 A 43 ILE H A 53 LEU HD2% 1.0 0.0 5.50 76 66 A 43 ILE H A 80 TRP HZ2 1.0 0.0 4.78 77 67 A 43 ILE H A 42 PRO HBy 1.0 0.0 4.65 78 68 A 43 ILE H A 43 ILE HB 1.0 0.0 3.59 79 69 A 43 ILE H A 43 ILE HG1y 1.0 0.0 4.41 80 70 A 43 ILE H A 43 ILE HG1x 1.0 0.0 3.98 81 71 A 43 ILE H A 43 ILE HG2% 1.0 0.0 3.73 82 72 A 43 ILE H A 43 ILE HD1% 1.0 0.0 4.66 83 73 A 83 LEU HA A 85 GLU H 1.0 0.0 4.46 84 74 A 85 GLU H A 87 ALA HB% 1.0 0.0 5.06 85 75 A 43 ILE H A 42 PRO HA 1.0 0.0 3.26 86 76 A 43 ILE H A 42 PRO HDy 1.0 0.0 5.50 87 77 A 85 GLU H A 82 LYS HDx 1.0 0.0 5.50 88 77 A 85 GLU H A 82 LYS HDy 1.0 0.0 5.50 89 78 A 6 ALA H A 41 TYR HBx 1.0 0.0 5.50 90 79 A 43 ILE H A 80 TRP HH2 1.0 0.0 5.50 91 80 A 85 GLU H A 83 LEU H 1.0 0.0 4.80 92 81 A 85 GLU H A 84 ILE HA 1.0 0.0 3.43 93 82 A 85 GLU H A 84 ILE HG1y 1.0 0.0 4.88 94 83 A 43 ILE H A 8 PRO HA 1.0 0.0 5.50 95 84 A 85 GLU H A 87 ALA H 1.0 0.0 4.32 96 85 A 85 GLU H A 84 ILE H 1.0 0.0 3.63 97 86 A 85 GLU H A 85 GLU HG2 1.0 0.0 4.21 98 86 A 85 GLU H A 85 GLU HG3 1.0 0.0 4.21 99 87 A 85 GLU H A 85 GLU HBx 1.0 0.0 3.33 100 88 A 85 GLU H A 84 ILE HG2% 1.0 0.0 4.25 101 89 A 85 GLU H A 88 HIS HD2 1.0 0.0 5.50 102 90 A 6 ALA H A 41 TYR HBy 1.0 0.0 5.50 103 91 A 6 ALA H A 10 GLN HE2y 1.0 0.0 5.50 104 92 A 48 LEU HD2% A 80 TRP H 1.0 0.0 5.50 105 93 A 80 TRP H A 76 LEU HA 1.0 0.0 5.50 106 94 A 80 TRP HE1 A 80 TRP H 1.0 0.0 4.47 107 95 A 80 TRP H A 79 SER H 1.0 0.0 3.67 108 96 A 80 TRP H A 80 TRP HE3 1.0 0.0 4.97 109 97 A 80 TRP H A 80 TRP HD1 1.0 0.0 4.33 110 98 A 80 TRP H A 79 SER HB2 1.0 0.0 3.91 111 98 A 79 SER HB3 A 80 TRP H 1.0 0.0 3.91 112 99 A 77 LEU HA A 80 TRP H 1.0 0.0 4.22 113 100 A 80 TRP H A 80 TRP HBy 1.0 0.0 3.61 114 101 A 80 TRP H A 80 TRP HBx 1.0 0.0 3.70 115 102 A 80 TRP H A 81 GLN HBy 1.0 0.0 5.11 116 103 A 80 TRP H A 78 ARG HB2 1.0 0.0 5.10 117 103 A 80 TRP H A 78 ARG HB3 1.0 0.0 5.10 118 104 A 80 TRP H A 76 LEU HD1% 1.0 0.0 5.50 119 104 A 76 LEU HD2% A 80 TRP H 1.0 0.0 5.50 120 105 A 80 TRP H A 81 GLN HGy 1.0 0.0 5.50 121 106 A 54 GLY H A 55 LYS H 1.0 0.0 3.39 122 107 A 56 LEU H A 55 LYS H 1.0 0.0 3.42 123 108 A 53 LEU HA A 55 LYS H 1.0 0.0 4.08 124 109 A 55 LYS H A 57 ILE HB 1.0 0.0 5.50 125 110 A 55 LYS H A 55 LYS HBx 1.0 0.0 3.03 126 110 A 55 LYS HBy A 55 LYS H 1.0 0.0 3.03 127 111 A 55 LYS H A 56 LEU HD1% 1.0 0.0 5.04 128 111 A 55 LYS H A 56 LEU HD2% 1.0 0.0 5.04 129 112 A 90 HIS H A 91 GLU H 1.0 0.0 5.25 130 113 A 53 LEU H A 55 LYS H 1.0 0.0 5.28 131 114 A 52 ARG HBy A 55 LYS H 1.0 0.0 4.52 132 115 A 48 LEU HD1% A 80 TRP H 1.0 0.0 5.50 133 116 A 91 GLU H A 92 ALA HB% 1.0 0.0 5.50 134 117 A 87 ALA H A 85 GLU HA 1.0 0.0 5.50 135 118 A 91 GLU H A 88 HIS HA 1.0 0.0 4.76 136 119 A 87 ALA H A 82 LYS HGx 1.0 0.0 5.50 137 119 A 87 ALA H A 82 LYS HGy 1.0 0.0 5.50 138 120 A 91 GLU H A 89 GLN H 1.0 0.0 5.27 139 121 A 87 ALA H A 82 LYS HA 1.0 0.0 5.50 140 122 A 87 ALA H A 82 LYS HBx 1.0 0.0 5.50 141 123 A 87 ALA H A 82 LYS HDx 1.0 0.0 5.50 142 123 A 82 LYS HDy A 87 ALA H 1.0 0.0 5.50 143 124 A 91 GLU H A 89 GLN HBy 1.0 0.0 5.50 144 125 A 91 GLU H A 92 ALA HA 1.0 0.0 5.50 145 126 A 23 SER H A 20 ASP H 1.0 0.0 4.66 146 127 A 20 ASP H A 26 ARG HDx 1.0 0.0 5.48 147 127 A 26 ARG HDy A 20 ASP H 1.0 0.0 5.48 148 128 A 20 ASP H A 20 ASP HBx 1.0 0.0 3.78 149 129 A 20 ASP H A 19 ILE HB 1.0 0.0 3.60 150 130 A 20 ASP H A 19 ILE HG2% 1.0 0.0 4.33 151 131 A 26 ARG H A 25 ILE H 1.0 0.0 4.83 152 132 A 25 ILE H A 63 LYS HDx 1.0 0.0 5.50 153 133 A 66 ASN H A 70 ALA HA 1.0 0.0 5.50 154 134 A 26 ARG H A 20 ASP H 1.0 0.0 4.43 155 135 A 20 ASP H A 25 ILE H 1.0 0.0 5.44 156 136 A 20 ASP H A 22 GLN H 1.0 0.0 4.94 157 137 A 19 ILE HA A 20 ASP H 1.0 0.0 3.44 158 138 A 20 ASP H A 26 ARG HA 1.0 0.0 5.11 159 139 A 25 ILE H A 24 ASN HA 1.0 0.0 3.14 160 140 A 24 ASN HBy A 25 ILE H 1.0 0.0 4.17 161 141 A 24 ASN HBx A 25 ILE H 1.0 0.0 3.83 162 142 A 25 ILE H A 25 ILE HB 1.0 0.0 3.28 163 143 A 25 ILE HG2% A 25 ILE H 1.0 0.0 3.75 164 144 A 34 VAL H A 35 ILE H 1.0 0.0 3.43 165 145 A 34 VAL H A 32 LEU HA 1.0 0.0 5.00 166 146 A 34 VAL H A 31 VAL HA 1.0 0.0 3.90 167 147 A 34 VAL H A 34 VAL HB 1.0 0.0 3.20 168 148 A 34 VAL H A 33 GLU HBy 1.0 0.0 3.66 169 149 A 34 VAL H A 33 GLU HBx 1.0 0.0 4.05 170 150 A 34 VAL H A 35 ILE HB 1.0 0.0 4.68 171 151 A 30 ALA HB% A 34 VAL H 1.0 0.0 5.01 172 152 A 34 VAL H A 34 VAL HG1% 1.0 0.0 3.56 173 153 A 34 VAL H A 34 VAL HG2% 1.0 0.0 3.89 174 154 A 34 VAL H A 35 ILE HD1% 1.0 0.0 5.50 175 155 A 34 VAL H A 31 VAL H 1.0 0.0 5.50 176 156 A 34 VAL H A 17 GLN HE21 1.0 0.0 5.50 177 157 A 47 ALA H A 48 LEU HBy 1.0 0.0 5.47 178 158 A 47 ALA H A 46 GLU H 1.0 0.0 3.46 179 159 A 47 ALA H A 44 THR HB 1.0 0.0 3.81 180 160 A 47 ALA H A 44 THR HA 1.0 0.0 5.12 181 161 A 47 ALA H A 45 LYS HA 1.0 0.0 5.04 182 162 A 48 LEU HA A 47 ALA H 1.0 0.0 5.10 183 163 A 47 ALA H A 46 GLU HGy 1.0 0.0 4.71 184 164 A 47 ALA H A 46 GLU HBy 1.0 0.0 3.77 185 165 A 47 ALA H A 46 GLU HBx 1.0 0.0 3.83 186 166 A 47 ALA H A 45 LYS HBx 1.0 0.0 5.32 187 167 A 47 ALA HB% A 47 ALA H 1.0 0.0 3.28 188 168 A 47 ALA H A 46 GLU HGx 1.0 0.0 5.18 189 169 A 25 ILE H A 25 ILE HD1% 1.0 0.0 5.50 190 170 A 46 GLU H A 48 LEU H 1.0 0.0 5.02 191 171 A 48 LEU H A 49 GLU H 1.0 0.0 3.77 192 172 A 47 ALA H A 48 LEU H 1.0 0.0 3.39 193 173 A 44 THR HB A 48 LEU H 1.0 0.0 5.31 194 174 A 48 LEU H A 46 GLU HA 1.0 0.0 4.66 195 175 A 45 LYS HA A 48 LEU H 1.0 0.0 4.14 196 176 A 48 LEU HBy A 48 LEU H 1.0 0.0 3.43 197 177 A 47 ALA HB% A 48 LEU H 1.0 0.0 3.39 198 178 A 48 LEU H A 53 LEU HD1% 1.0 0.0 5.43 199 178 A 53 LEU HD2% A 48 LEU H 1.0 0.0 5.43 200 179 A 43 ILE HG2% A 48 LEU H 1.0 0.0 5.36 201 180 A 48 LEU HD1% A 48 LEU H 1.0 0.0 4.36 202 181 A 48 LEU HD2% A 48 LEU H 1.0 0.0 4.35 203 182 A 66 ASN H A 70 ALA H 1.0 0.0 5.16 204 183 A 66 ASN H A 69 LEU HBy 1.0 0.0 5.32 205 184 A 66 ASN H A 65 LYS HBx 1.0 0.0 4.86 206 185 A 66 ASN H A 70 ALA HB% 1.0 0.0 5.03 207 186 A 66 ASN H A 64 THR HG2% 1.0 0.0 4.08 208 187 A 66 ASN H A 69 LEU HD1% 1.0 0.0 4.83 209 187 A 66 ASN H A 69 LEU HD2% 1.0 0.0 4.83 210 188 A 66 ASN HBy A 66 ASN H 1.0 0.0 3.62 211 189 A 66 ASN HBx A 66 ASN H 1.0 0.0 3.63 212 190 A 66 ASN H A 65 LYS HBy 1.0 0.0 4.35 213 191 A 46 GLU HGx A 48 LEU H 1.0 0.0 5.50 214 192 A 72 ARG H A 73 ALA H 1.0 0.0 3.19 215 193 A 73 ALA H A 72 ARG HBy 1.0 0.0 3.61 216 194 A 73 ALA H A 72 ARG HBx 1.0 0.0 3.72 217 195 A 70 ALA HB% A 73 ALA H 1.0 0.0 4.82 218 196 A 73 ALA H A 73 ALA HB% 1.0 0.0 3.43 219 197 A 73 ALA H A 69 LEU HD1% 1.0 0.0 4.47 220 197 A 69 LEU HD2% A 73 ALA H 1.0 0.0 4.47 221 198 A 73 ALA H A 76 LEU H 1.0 0.0 5.39 222 199 A 38 LEU H A 40 LYS H 1.0 0.0 5.10 223 200 A 38 LEU H A 39 GLU HGy 1.0 0.0 5.50 224 201 A 42 PRO HA A 38 LEU H 1.0 0.0 5.38 225 202 A 38 LEU H A 39 GLU HBy 1.0 0.0 5.50 226 203 A 38 LEU H A 35 ILE HG1y 1.0 0.0 5.50 227 204 A 38 LEU H A 36 SER H 1.0 0.0 4.84 228 205 A 38 LEU H A 37 SER HBy 1.0 0.0 4.43 229 206 A 38 LEU H A 37 SER HBx 1.0 0.0 4.70 230 207 A 38 LEU H A 35 ILE HA 1.0 0.0 4.16 231 208 A 38 LEU H A 38 LEU HBy 1.0 0.0 3.87 232 209 A 38 LEU H A 38 LEU HBx 1.0 0.0 4.03 233 210 A 38 LEU H A 38 LEU HD1% 1.0 0.0 4.01 234 210 A 38 LEU HD2% A 38 LEU H 1.0 0.0 4.01 235 211 A 48 LEU H A 45 LYS H 1.0 0.0 5.50 236 212 A 47 ALA H A 45 LYS H 1.0 0.0 4.85 237 213 A 44 THR HB A 45 LYS H 1.0 0.0 3.44 238 214 A 44 THR HA A 45 LYS H 1.0 0.0 3.17 239 215 A 46 GLU HBy A 45 LYS H 1.0 0.0 5.50 240 216 A 45 LYS H A 45 LYS HBy 1.0 0.0 3.55 241 217 A 45 LYS HBx A 45 LYS H 1.0 0.0 3.46 242 218 A 45 LYS H A 44 THR HG2% 1.0 0.0 3.79 243 219 A 45 LYS H A 83 LEU HDx% 1.0 0.0 4.32 244 219 A 45 LYS H A 83 LEU HDy% 1.0 0.0 4.32 245 220 A 39 GLU H A 41 TYR H 1.0 0.0 4.41 246 221 A 40 LYS H A 41 TYR H 1.0 0.0 3.37 247 222 A 41 TYR H A 41 TYR HEy 1.0 0.0 5.50 248 223 A 41 TYR H A 38 LEU HA 1.0 0.0 4.33 249 224 A 41 TYR H A 39 GLU HA 1.0 0.0 5.50 250 225 A 42 PRO HDy A 41 TYR H 1.0 0.0 4.78 251 226 A 41 TYR HBy A 41 TYR H 1.0 0.0 3.56 252 227 A 41 TYR H A 42 PRO HDx 1.0 0.0 3.62 253 228 A 39 GLU HBy A 41 TYR H 1.0 0.0 5.49 254 229 A 41 TYR H A 40 LYS HBx 1.0 0.0 3.72 255 229 A 41 TYR H A 40 LYS HBy 1.0 0.0 3.72 256 230 A 41 TYR H A 40 LYS HGx 1.0 0.0 5.50 257 231 A 41 TYR H A 38 LEU HD1% 1.0 0.0 5.21 258 231 A 38 LEU HD2% A 41 TYR H 1.0 0.0 5.21 259 232 A 41 TYR H A 11 ILE HD1% 1.0 0.0 5.43 260 233 A 41 TYR H A 39 GLU HBx 1.0 0.0 5.50 261 234 A 46 GLU HA A 45 LYS H 1.0 0.0 5.50 262 235 A 41 TYR H A 40 LYS HGy 1.0 0.0 5.50 263 236 A 76 LEU H A 77 LEU H 1.0 0.0 3.80 264 237 A 76 LEU H A 73 ALA HA 1.0 0.0 4.05 265 238 A 76 LEU H A 75 LYS HBx 1.0 0.0 3.55 266 238 A 76 LEU H A 75 LYS HBy 1.0 0.0 3.55 267 239 A 76 LEU H A 78 ARG HGx 1.0 0.0 4.62 268 240 A 76 LEU H A 76 LEU HBy 1.0 0.0 3.48 269 241 A 76 LEU H A 76 LEU HBx 1.0 0.0 3.54 270 242 A 76 LEU H A 76 LEU HD1% 1.0 0.0 3.70 271 242 A 76 LEU HD2% A 76 LEU H 1.0 0.0 3.70 272 243 A 38 LEU HBy A 41 TYR H 1.0 0.0 5.50 273 244 A 89 GLN H A 89 GLN HGx 1.0 0.0 5.50 274 244 A 89 GLN H A 89 GLN HGy 1.0 0.0 5.50 275 245 A 69 LEU H A 71 LYS HDx 1.0 0.0 5.50 276 245 A 69 LEU H A 71 LYS HDy 1.0 0.0 5.50 277 246 A 89 GLN H A 88 HIS HBy 1.0 0.0 5.50 278 247 A 10 GLN HBx A 11 ILE H 1.0 0.0 5.33 279 248 A 11 ILE H A 12 ARG H 1.0 0.0 3.87 280 249 A 11 ILE H A 14 ARG H 1.0 0.0 5.50 281 250 A 11 ILE H A 10 GLN H 1.0 0.0 3.55 282 251 A 8 PRO HA A 11 ILE H 1.0 0.0 3.89 283 252 A 11 ILE H A 9 GLN HA 1.0 0.0 5.50 284 253 A 11 ILE H A 11 ILE HB 1.0 0.0 3.36 285 254 A 11 ILE H A 11 ILE HG2% 1.0 0.0 3.81 286 255 A 11 ILE HD1% A 11 ILE H 1.0 0.0 4.17 287 256 A 69 LEU H A 68 GLU HG2 1.0 0.0 5.45 288 256 A 68 GLU HG3 A 69 LEU H 1.0 0.0 5.45 289 257 A 38 LEU H A 41 TYR H 1.0 0.0 5.50 290 258 A 10 GLN HE2y A 11 ILE H 1.0 0.0 5.50 291 259 A 70 ALA HA A 69 LEU H 1.0 0.0 5.50 292 260 A 67 GLU H A 69 LEU H 1.0 0.0 5.50 293 261 A 66 ASN H A 69 LEU H 1.0 0.0 5.48 294 262 A 70 ALA H A 69 LEU H 1.0 0.0 3.66 295 263 A 66 ASN HD22 A 69 LEU H 1.0 0.0 5.50 296 264 A 69 LEU H A 66 ASN HD21 1.0 0.0 5.25 297 265 A 66 ASN HBy A 69 LEU H 1.0 0.0 4.26 298 266 A 66 ASN HBx A 69 LEU H 1.0 0.0 4.45 299 267 A 69 LEU H A 68 GLU HB2 1.0 0.0 3.58 300 267 A 69 LEU H A 68 GLU HB3 1.0 0.0 3.58 301 268 A 69 LEU HBy A 69 LEU H 1.0 0.0 3.51 302 269 A 69 LEU H A 69 LEU HBx 1.0 0.0 3.31 303 270 A 69 LEU H A 69 LEU HD1% 1.0 0.0 4.15 304 270 A 69 LEU HD2% A 69 LEU H 1.0 0.0 4.15 305 271 A 64 THR HG2% A 69 LEU H 1.0 0.0 4.91 306 272 A 79 SER H A 76 LEU H 1.0 0.0 5.50 307 273 A 76 LEU H A 78 ARG HB2 1.0 0.0 5.50 308 273 A 78 ARG HB3 A 76 LEU H 1.0 0.0 5.50 309 274 A 32 LEU H A 33 GLU H 1.0 0.0 3.40 310 275 A 33 GLU HBy A 33 GLU H 1.0 0.0 3.06 311 276 A 33 GLU HBx A 33 GLU H 1.0 0.0 3.51 312 277 A 33 GLU H A 32 LEU HBy 1.0 0.0 3.97 313 278 A 33 GLU H A 32 LEU HBx 1.0 0.0 4.23 314 279 A 33 GLU H A 32 LEU HD1% 1.0 0.0 4.61 315 280 A 11 ILE H A 12 ARG HBy 1.0 0.0 5.50 316 281 A 31 VAL H A 33 GLU H 1.0 0.0 4.46 317 282 A 31 VAL HA A 33 GLU H 1.0 0.0 4.91 318 283 A 33 GLU H A 33 GLU HGx 1.0 0.0 3.53 319 283 A 33 GLU H A 33 GLU HGy 1.0 0.0 3.53 320 284 A 34 VAL HG1% A 33 GLU H 1.0 0.0 4.49 321 285 A 66 ASN HBy A 70 ALA H 1.0 0.0 4.63 322 286 A 70 ALA H A 68 GLU HG2 1.0 0.0 5.50 323 286 A 68 GLU HG3 A 70 ALA H 1.0 0.0 5.50 324 287 A 70 ALA H A 71 LYS HDx 1.0 0.0 5.50 325 287 A 70 ALA H A 71 LYS HDy 1.0 0.0 5.50 326 288 A 67 GLU H A 70 ALA H 1.0 0.0 5.50 327 289 A 70 ALA H A 71 LYS H 1.0 0.0 3.07 328 290 A 66 ASN HA A 70 ALA H 1.0 0.0 5.50 329 291 A 70 ALA H A 67 GLU HA 1.0 0.0 3.67 330 292 A 70 ALA H A 68 GLU HB2 1.0 0.0 4.68 331 292 A 70 ALA H A 68 GLU HB3 1.0 0.0 4.68 332 293 A 70 ALA H A 69 LEU HBy 1.0 0.0 3.59 333 294 A 70 ALA HB% A 70 ALA H 1.0 0.0 3.19 334 295 A 70 ALA H A 64 THR HG2% 1.0 0.0 4.04 335 296 A 70 ALA H A 69 LEU HD1% 1.0 0.0 4.29 336 296 A 70 ALA H A 69 LEU HD2% 1.0 0.0 4.29 337 297 A 70 ALA H A 73 ALA H 1.0 0.0 5.44 338 298 A 59 ASP HBx A 61 ARG H 1.0 0.0 4.78 339 299 A 61 ARG H A 58 ASN HA 1.0 0.0 4.06 340 300 A 61 ARG H A 60 VAL H 1.0 0.0 3.37 341 301 A 61 ARG H A 61 ARG HBy 1.0 0.0 3.65 342 302 A 61 ARG H A 61 ARG HBx 1.0 0.0 3.64 343 303 A 73 ALA HB% A 61 ARG H 1.0 0.0 4.83 344 304 A 61 ARG H A 60 VAL HG1% 1.0 0.0 5.04 345 305 A 61 ARG H A 60 VAL HG2% 1.0 0.0 4.95 346 306 A 30 ALA HB% A 33 GLU H 1.0 0.0 5.50 347 307 A 29 VAL HB A 30 ALA H 1.0 0.0 5.47 348 308 A 64 THR HB A 61 ARG H 1.0 0.0 5.50 349 309 A 61 ARG H A 62 LYS HA 1.0 0.0 5.50 350 310 A 61 ARG H A 58 ASN HBy 1.0 0.0 5.50 351 311 A 49 GLU H A 52 ARG H 1.0 0.0 5.50 352 312 A 16 LEU HBy A 18 ALA H 1.0 0.0 5.38 353 313 A 61 ARG H A 58 ASN H 1.0 0.0 5.50 354 314 A 18 ALA H A 19 ILE H 1.0 0.0 3.29 355 315 A 19 ILE HA A 18 ALA H 1.0 0.0 5.50 356 316 A 18 ALA H A 15 LEU HA 1.0 0.0 3.88 357 317 A 27 ASN HBy A 18 ALA H 1.0 0.0 5.50 358 318 A 18 ALA H A 17 GLN HGy 1.0 0.0 5.50 359 319 A 18 ALA H A 17 GLN HGx 1.0 0.0 5.50 360 320 A 18 ALA H A 18 ALA HB% 1.0 0.0 3.41 361 321 A 30 ALA HB% A 18 ALA H 1.0 0.0 4.75 362 322 A 18 ALA H A 31 VAL HG1% 1.0 0.0 5.25 363 323 A 18 ALA H A 16 LEU HD1% 1.0 0.0 4.82 364 323 A 18 ALA H A 16 LEU HD2% 1.0 0.0 4.82 365 324 A 18 ALA H A 17 GLN H 1.0 0.0 3.33 366 325 A 27 ASN HBx A 18 ALA H 1.0 0.0 5.50 367 326 A 19 ILE HG2% A 18 ALA H 1.0 0.0 5.10 368 327 A 70 ALA H A 68 GLU H 1.0 0.0 5.50 369 328 A 30 ALA H A 18 ALA HA 1.0 0.0 5.50 370 329 A 27 ASN HBy A 30 ALA H 1.0 0.0 5.07 371 330 A 27 ASN HA A 30 ALA H 1.0 0.0 5.22 372 331 A 30 ALA H A 18 ALA HB% 1.0 0.0 5.04 373 332 A 72 ARG H A 69 LEU HA 1.0 0.0 4.17 374 333 A 70 ALA HA A 72 ARG H 1.0 0.0 4.59 375 334 A 72 ARG H A 72 ARG HBx 1.0 0.0 3.32 376 335 A 72 ARG H A 73 ALA HB% 1.0 0.0 4.91 377 336 A 72 ARG H A 69 LEU HD1% 1.0 0.0 4.82 378 336 A 69 LEU HD2% A 72 ARG H 1.0 0.0 4.82 379 337 A 33 GLU H A 30 ALA H 1.0 0.0 5.36 380 338 A 27 ASN HBx A 30 ALA H 1.0 0.0 4.94 381 339 A 30 ALA HB% A 30 ALA H 1.0 0.0 3.36 382 340 A 30 ALA H A 29 VAL HG1% 1.0 0.0 3.97 383 341 A 30 ALA H A 29 VAL HG2% 1.0 0.0 4.10 384 342 A 13 ASP HA A 15 LEU H 1.0 0.0 5.25 385 343 A 48 LEU HD2% A 49 GLU H 1.0 0.0 5.20 386 344 A 30 ALA H A 33 GLU HGx 1.0 0.0 5.50 387 344 A 33 GLU HGy A 30 ALA H 1.0 0.0 5.50 388 345 A 18 ALA H A 15 LEU H 1.0 0.0 5.50 389 346 A 17 GLN H A 15 LEU H 1.0 0.0 4.63 390 347 A 15 LEU H A 15 LEU HBy 1.0 0.0 3.54 391 348 A 15 LEU H A 15 LEU HBx 1.0 0.0 3.27 392 349 A 48 LEU HBy A 49 GLU H 1.0 0.0 3.95 393 350 A 48 LEU HBx A 49 GLU H 1.0 0.0 3.75 394 351 A 49 GLU H A 48 LEU HG 1.0 0.0 5.17 395 352 A 48 LEU HD1% A 49 GLU H 1.0 0.0 5.19 396 353 A 77 LEU HA A 81 GLN H 1.0 0.0 4.93 397 354 A 80 TRP HBy A 81 GLN H 1.0 0.0 4.32 398 355 A 14 ARG H A 17 GLN H 1.0 0.0 5.16 399 356 A 14 ARG H A 13 ASP HBx 1.0 0.0 4.09 400 357 A 14 ARG H A 15 LEU HBy 1.0 0.0 4.64 401 358 A 34 VAL HG1% A 14 ARG H 1.0 0.0 5.22 402 359 A 14 ARG H A 11 ILE HA 1.0 0.0 4.22 403 360 A 14 ARG H A 13 ASP HBy 1.0 0.0 4.03 404 361 A 14 ARG H A 14 ARG HBx 1.0 0.0 3.62 405 361 A 14 ARG H A 14 ARG HBy 1.0 0.0 3.62 406 362 A 14 ARG H A 15 LEU H 1.0 0.0 3.58 407 363 A 15 LEU H A 12 ARG HA 1.0 0.0 4.27 408 364 A 15 LEU H A 11 ILE HA 1.0 0.0 5.21 409 365 A 15 LEU H A 14 ARG HBx 1.0 0.0 4.02 410 365 A 15 LEU H A 14 ARG HBy 1.0 0.0 4.02 411 366 A 34 VAL HG1% A 15 LEU H 1.0 0.0 4.27 412 367 A 34 VAL HG2% A 15 LEU H 1.0 0.0 3.79 413 368 A 47 ALA HA A 49 GLU H 1.0 0.0 5.17 414 369 A 79 SER H A 81 GLN H 1.0 0.0 5.50 415 370 A 81 GLN H A 79 SER HA 1.0 0.0 5.50 416 371 A 80 TRP HBx A 81 GLN H 1.0 0.0 4.25 417 372 A 81 GLN HGy A 81 GLN H 1.0 0.0 4.13 418 373 A 81 GLN HBy A 81 GLN H 1.0 0.0 3.36 419 374 A 81 GLN H A 81 GLN HBx 1.0 0.0 3.63 420 375 A 14 ARG H A 12 ARG HA 1.0 0.0 5.50 421 376 A 67 GLU H A 68 GLU H 1.0 0.0 3.78 422 377 A 66 ASN HD22 A 68 GLU H 1.0 0.0 5.50 423 378 A 68 GLU H A 69 LEU HA 1.0 0.0 5.35 424 379 A 66 ASN HBy A 68 GLU H 1.0 0.0 4.86 425 380 A 68 GLU H A 68 GLU HG2 1.0 0.0 3.77 426 380 A 68 GLU HG3 A 68 GLU H 1.0 0.0 3.77 427 381 A 68 GLU H A 68 GLU HB2 1.0 0.0 2.95 428 381 A 68 GLU HB3 A 68 GLU H 1.0 0.0 2.95 429 382 A 70 ALA HB% A 68 GLU H 1.0 0.0 4.76 430 383 A 72 ARG H A 71 LYS HBy 1.0 0.0 4.91 431 384 A 66 ASN HD21 A 68 GLU H 1.0 0.0 4.53 432 385 A 11 ILE HD1% A 12 ARG H 1.0 0.0 5.50 433 386 A 70 ALA H A 72 ARG H 1.0 0.0 5.13 434 387 A 12 ARG H A 14 ARG H 1.0 0.0 5.18 435 388 A 12 ARG H A 10 GLN H 1.0 0.0 4.82 436 389 A 12 ARG H A 13 ASP HA 1.0 0.0 5.50 437 390 A 12 ARG H A 10 GLN HA 1.0 0.0 4.99 438 391 A 12 ARG HDx A 12 ARG H 1.0 0.0 5.50 439 392 A 12 ARG H A 13 ASP HBy 1.0 0.0 5.34 440 393 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.51 441 394 A 12 ARG H A 11 ILE HB 1.0 0.0 3.45 442 395 A 12 ARG H A 12 ARG HBx 1.0 0.0 3.51 443 396 A 51 THR HG2% A 12 ARG H 1.0 0.0 5.18 444 397 A 12 ARG H A 11 ILE HG2% 1.0 0.0 4.12 445 398 A 84 ILE H A 81 GLN H 1.0 0.0 5.50 446 399 A 32 LEU H A 18 ALA HB% 1.0 0.0 5.50 447 400 A 52 ARG HA A 49 GLU H 1.0 0.0 5.50 448 401 A 47 ALA H A 49 GLU H 1.0 0.0 4.79 449 402 A 81 GLN H A 78 ARG HB2 1.0 0.0 5.50 450 402 A 78 ARG HB3 A 81 GLN H 1.0 0.0 5.50 451 403 A 32 LEU H A 29 VAL H 1.0 0.0 5.50 452 404 A 32 LEU H A 28 MET HA 1.0 0.0 4.54 453 405 A 28 MET HGy A 32 LEU H 1.0 0.0 5.50 454 406 A 80 TRP H A 78 ARG H 1.0 0.0 5.26 455 407 A 32 LEU H A 30 ALA H 1.0 0.0 4.55 456 408 A 32 LEU H A 29 VAL HA 1.0 0.0 4.15 457 409 A 31 VAL HB A 32 LEU H 1.0 0.0 3.54 458 410 A 32 LEU H A 32 LEU HBy 1.0 0.0 3.48 459 411 A 32 LEU H A 32 LEU HBx 1.0 0.0 3.65 460 412 A 32 LEU H A 31 VAL HG1% 1.0 0.0 4.39 461 413 A 32 LEU H A 32 LEU HD1% 1.0 0.0 3.65 462 414 A 35 ILE H A 33 GLU HBy 1.0 0.0 5.11 463 415 A 78 ARG H A 77 LEU HD1% 1.0 0.0 5.50 464 415 A 78 ARG H A 77 LEU HD2% 1.0 0.0 5.50 465 416 A 35 ILE H A 36 SER HA 1.0 0.0 5.50 466 417 A 35 ILE H A 33 GLU HA 1.0 0.0 5.08 467 418 A 35 ILE H A 32 LEU HA 1.0 0.0 3.96 468 419 A 35 ILE H A 31 VAL HA 1.0 0.0 4.73 469 420 A 78 ARG H A 76 LEU HD1% 1.0 0.0 5.50 470 420 A 76 LEU HD2% A 78 ARG H 1.0 0.0 5.50 471 421 A 35 ILE H A 37 SER H 1.0 0.0 5.01 472 422 A 35 ILE H A 34 VAL HB 1.0 0.0 3.76 473 423 A 35 ILE H A 35 ILE HB 1.0 0.0 3.38 474 424 A 35 ILE H A 35 ILE HG1y 1.0 0.0 3.69 475 425 A 35 ILE H A 34 VAL HG1% 1.0 0.0 4.26 476 426 A 35 ILE H A 34 VAL HG2% 1.0 0.0 4.06 477 427 A 35 ILE H A 35 ILE HG2% 1.0 0.0 4.20 478 428 A 35 ILE H A 35 ILE HD1% 1.0 0.0 4.46 479 429 A 78 ARG H A 75 LYS H 1.0 0.0 5.30 480 430 A 78 ARG H A 78 ARG HB2 1.0 0.0 3.11 481 430 A 78 ARG HB3 A 78 ARG H 1.0 0.0 3.11 482 431 A 81 GLN HGy A 78 ARG H 1.0 0.0 5.50 483 432 A 77 LEU H A 78 ARG H 1.0 0.0 3.97 484 433 A 78 ARG H A 75 LYS HA 1.0 0.0 4.73 485 434 A 78 ARG HGx A 78 ARG H 1.0 0.0 3.90 486 435 A 78 ARG H A 77 LEU HBx 1.0 0.0 4.44 487 436 A 57 ILE HB A 59 ASP H 1.0 0.0 5.50 488 437 A 59 ASP H A 57 ILE H 1.0 0.0 4.49 489 438 A 58 ASN H A 59 ASP H 1.0 0.0 3.57 490 439 A 60 VAL H A 59 ASP H 1.0 0.0 3.52 491 440 A 59 ASP H A 56 LEU HA 1.0 0.0 3.90 492 441 A 58 ASN HBy A 59 ASP H 1.0 0.0 3.74 493 442 A 59 ASP H A 59 ASP HBy 1.0 0.0 3.20 494 443 A 59 ASP HBx A 59 ASP H 1.0 0.0 3.46 495 444 A 59 ASP H A 60 VAL HB 1.0 0.0 5.03 496 445 A 59 ASP H A 55 LYS HGx 1.0 0.0 5.23 497 446 A 60 VAL HG1% A 59 ASP H 1.0 0.0 4.75 498 447 A 59 ASP H A 56 LEU HD1% 1.0 0.0 5.50 499 447 A 56 LEU HD2% A 59 ASP H 1.0 0.0 5.50 500 448 A 59 ASP HBx A 58 ASN H 1.0 0.0 5.46 501 449 A 58 ASN H A 57 ILE HG2% 1.0 0.0 3.99 502 450 A 58 ASN H A 57 ILE H 1.0 0.0 3.61 503 451 A 58 ASN H A 58 ASN HD21 1.0 0.0 5.50 504 452 A 58 ASN HBy A 58 ASN H 1.0 0.0 3.44 505 453 A 58 ASN H A 58 ASN HBx 1.0 0.0 3.34 506 454 A 57 ILE HB A 58 ASN H 1.0 0.0 3.88 507 455 A 10 GLN H A 5 PRO HB2 1.0 0.0 5.50 508 456 A 59 ASP H A 60 VAL HA 1.0 0.0 5.50 509 457 A 10 GLN H A 10 GLN HGx 1.0 0.0 5.50 510 458 A 20 ASP HA A 24 ASN HD22 1.0 0.0 5.50 511 459 A 24 ASN HD22 A 21 PRO HA 1.0 0.0 5.50 512 460 A 58 ASN H A 57 ILE HG1y 1.0 0.0 5.50 513 461 A 24 ASN HD22 A 20 ASP HBy 1.0 0.0 5.50 514 462 A 24 ASN HA A 24 ASN HD22 1.0 0.0 5.50 515 463 A 22 GLN HBy A 24 ASN HD22 1.0 0.0 4.87 516 464 A 22 GLN HBx A 24 ASN HD22 1.0 0.0 5.08 517 465 A 24 ASN HD21 A 63 LYS HEx 1.0 0.0 5.50 518 465 A 24 ASN HD21 A 63 LYS HEy 1.0 0.0 5.50 519 466 A 22 GLN HBy A 24 ASN HD21 1.0 0.0 4.78 520 467 A 22 GLN HBx A 24 ASN HD21 1.0 0.0 4.84 521 468 A 23 SER H A 24 ASN HD21 1.0 0.0 5.50 522 469 A 10 GLN H A 9 GLN H 1.0 0.0 3.52 523 470 A 10 GLN H A 10 GLN HGy 1.0 0.0 3.44 524 471 A 24 ASN HD21 A 22 GLN HA 1.0 0.0 5.50 525 472 A 24 ASN HA A 24 ASN HD21 1.0 0.0 5.50 526 473 A 14 ARG H A 13 ASP H 1.0 0.0 3.48 527 474 A 10 GLN HA A 13 ASP H 1.0 0.0 3.80 528 475 A 12 ARG HDx A 13 ASP H 1.0 0.0 5.50 529 476 A 13 ASP HBy A 13 ASP H 1.0 0.0 3.30 530 477 A 13 ASP HBx A 13 ASP H 1.0 0.0 3.41 531 478 A 12 ARG HBx A 13 ASP H 1.0 0.0 3.79 532 479 A 13 ASP H A 16 LEU HD1% 1.0 0.0 4.72 533 479 A 16 LEU HD2% A 13 ASP H 1.0 0.0 4.72 534 480 A 10 GLN H A 10 GLN HE2x 1.0 0.0 5.50 535 481 A 10 GLN H A 7 SER HBx 1.0 0.0 4.59 536 482 A 10 GLN H A 13 ASP H 1.0 0.0 5.50 537 483 A 25 ILE H A 24 ASN HD21 1.0 0.0 5.50 538 484 A 39 GLU H A 39 GLU HGx 1.0 0.0 5.50 539 485 A 60 VAL H A 60 VAL HG1% 1.0 0.0 5.50 540 486 A 10 GLN H A 12 ARG HBx 1.0 0.0 5.50 541 487 A 72 ARG H A 75 LYS H 1.0 0.0 5.50 542 488 A 9 GLN HA A 13 ASP H 1.0 0.0 5.50 543 489 A 10 GLN H A 7 SER HA 1.0 0.0 5.50 544 490 A 37 SER HBy A 39 GLU H 1.0 0.0 5.50 545 491 A 36 SER H A 39 GLU H 1.0 0.0 5.22 546 492 A 39 GLU H A 42 PRO HDx 1.0 0.0 5.50 547 493 A 60 VAL H A 59 ASP HBy 1.0 0.0 3.80 548 494 A 59 ASP HBx A 60 VAL H 1.0 0.0 3.98 549 495 A 60 VAL H A 60 VAL HB 1.0 0.0 3.21 550 496 A 60 VAL H A 61 ARG HBx 1.0 0.0 4.78 551 497 A 73 ALA H A 75 LYS H 1.0 0.0 4.57 552 498 A 75 LYS H A 77 LEU HD1% 1.0 0.0 5.50 553 498 A 77 LEU HD2% A 75 LYS H 1.0 0.0 5.50 554 499 A 60 VAL H A 58 ASN H 1.0 0.0 5.44 555 500 A 60 VAL H A 64 THR HA 1.0 0.0 5.50 556 501 A 77 LEU H A 75 LYS H 1.0 0.0 4.88 557 502 A 76 LEU H A 75 LYS H 1.0 0.0 3.59 558 503 A 75 LYS H A 74 LYS HBy 1.0 0.0 3.62 559 504 A 75 LYS H A 75 LYS HBx 1.0 0.0 2.98 560 504 A 75 LYS HBy A 75 LYS H 1.0 0.0 2.98 561 505 A 78 ARG HGx A 75 LYS H 1.0 0.0 4.45 562 506 A 75 LYS H A 75 LYS HDx 1.0 0.0 4.05 563 506 A 75 LYS H A 75 LYS HDy 1.0 0.0 4.05 564 507 A 75 LYS H A 75 LYS HGx 1.0 0.0 3.92 565 507 A 75 LYS H A 75 LYS HGy 1.0 0.0 3.92 566 508 A 75 LYS H A 76 LEU HD1% 1.0 0.0 5.15 567 508 A 76 LEU HD2% A 75 LYS H 1.0 0.0 5.15 568 509 A 42 PRO HA A 39 GLU H 1.0 0.0 5.50 569 510 A 39 GLU H A 38 LEU HD1% 1.0 0.0 5.05 570 510 A 38 LEU HD2% A 39 GLU H 1.0 0.0 5.05 571 511 A 39 GLU H A 35 ILE HG2% 1.0 0.0 5.48 572 512 A 38 LEU HBx A 39 GLU H 1.0 0.0 5.08 573 513 A 27 ASN HA A 29 VAL H 1.0 0.0 4.57 574 514 A 30 ALA HB% A 29 VAL H 1.0 0.0 4.78 575 515 A 29 VAL HG1% A 29 VAL H 1.0 0.0 3.15 576 516 A 29 VAL HG2% A 29 VAL H 1.0 0.0 3.79 577 517 A 76 LEU HA A 75 LYS H 1.0 0.0 5.50 578 518 A 35 ILE HA A 39 GLU H 1.0 0.0 4.63 579 519 A 39 GLU HGy A 39 GLU H 1.0 0.0 3.77 580 520 A 39 GLU H A 39 GLU HBx 1.0 0.0 3.85 581 521 A 39 GLU H A 76 LEU HD1% 1.0 0.0 4.46 582 521 A 76 LEU HD2% A 39 GLU H 1.0 0.0 4.46 583 522 A 28 MET H A 29 VAL H 1.0 0.0 5.03 584 523 A 31 VAL H A 29 VAL H 1.0 0.0 4.48 585 524 A 30 ALA H A 29 VAL H 1.0 0.0 3.22 586 525 A 29 VAL H A 28 MET HGx 1.0 0.0 4.72 587 526 A 29 VAL HB A 29 VAL H 1.0 0.0 2.79 588 527 A 47 ALA HA A 50 GLU H 1.0 0.0 3.90 589 528 A 39 GLU HBy A 39 GLU H 1.0 0.0 3.59 590 529 A 52 ARG H A 50 GLU H 1.0 0.0 4.35 591 530 A 50 GLU HBy A 50 GLU H 1.0 0.0 2.99 592 531 A 48 LEU HBy A 50 GLU H 1.0 0.0 5.50 593 532 A 39 GLU H A 40 LYS HGx 1.0 0.0 5.20 594 533 A 60 VAL H A 57 ILE HA 1.0 0.0 5.50 595 534 A 46 GLU H A 83 LEU HDx% 1.0 0.0 5.50 596 534 A 46 GLU H A 83 LEU HDy% 1.0 0.0 5.50 597 535 A 51 THR H A 50 GLU H 1.0 0.0 3.43 598 536 A 50 GLU HBx A 50 GLU H 1.0 0.0 3.13 599 537 A 47 ALA HB% A 50 GLU H 1.0 0.0 5.26 600 538 A 46 GLU H A 44 THR HA 1.0 0.0 5.50 601 539 A 47 ALA HA A 46 GLU H 1.0 0.0 5.50 602 540 A 29 VAL H A 32 LEU HG 1.0 0.0 5.50 603 541 A 46 GLU H A 44 THR HB 1.0 0.0 4.69 604 542 A 46 GLU H A 46 GLU HGy 1.0 0.0 5.50 605 543 A 46 GLU H A 46 GLU HGx 1.0 0.0 5.50 606 544 A 46 GLU H A 45 LYS HBx 1.0 0.0 4.73 607 545 A 46 GLU H A 44 THR HG2% 1.0 0.0 5.07 608 546 A 29 VAL H A 30 ALA HA 1.0 0.0 5.50 609 547 A 28 MET HGy A 29 VAL H 1.0 0.0 5.50 610 548 A 46 GLU H A 49 GLU H 1.0 0.0 5.50 611 549 A 48 LEU HA A 50 GLU H 1.0 0.0 5.28 612 550 A 73 ALA H A 71 LYS H 1.0 0.0 4.35 613 551 A 71 LYS H A 71 LYS HBy 1.0 0.0 3.07 614 552 A 71 LYS H A 71 LYS HDx 1.0 0.0 3.50 615 552 A 71 LYS HDy A 71 LYS H 1.0 0.0 3.50 616 553 A 70 ALA HB% A 71 LYS H 1.0 0.0 3.55 617 554 A 73 ALA HB% A 71 LYS H 1.0 0.0 5.21 618 555 A 71 LYS H A 69 LEU HD1% 1.0 0.0 5.17 619 555 A 69 LEU HD2% A 71 LYS H 1.0 0.0 5.17 620 556 A 53 LEU H A 50 GLU H 1.0 0.0 5.47 621 557 A 74 LYS H A 76 LEU HD1% 1.0 0.0 5.50 622 557 A 76 LEU HD2% A 74 LYS H 1.0 0.0 5.50 623 558 A 27 ASN HA A 31 VAL H 1.0 0.0 5.50 624 559 A 74 LYS H A 77 LEU HD1% 1.0 0.0 4.52 625 559 A 77 LEU HD2% A 74 LYS H 1.0 0.0 4.52 626 560 A 73 ALA H A 74 LYS H 1.0 0.0 3.42 627 561 A 75 LYS H A 74 LYS H 1.0 0.0 3.46 628 562 A 76 LEU H A 74 LYS H 1.0 0.0 4.50 629 563 A 74 LYS H A 71 LYS HA 1.0 0.0 3.72 630 564 A 74 LYS HBy A 74 LYS H 1.0 0.0 3.26 631 565 A 74 LYS H A 74 LYS HBx 1.0 0.0 3.24 632 566 A 73 ALA HB% A 74 LYS H 1.0 0.0 3.81 633 567 A 27 ASN HBy A 31 VAL H 1.0 0.0 5.38 634 568 A 27 ASN HBx A 31 VAL H 1.0 0.0 5.50 635 569 A 83 LEU H A 84 ILE H 1.0 0.0 3.52 636 570 A 80 TRP HA A 83 LEU H 1.0 0.0 4.06 637 571 A 83 LEU H A 81 GLN HBy 1.0 0.0 5.08 638 572 A 83 LEU H A 82 LYS HBx 1.0 0.0 4.66 639 573 A 83 LEU H A 82 LYS HDx 1.0 0.0 3.69 640 573 A 82 LYS HDy A 83 LEU H 1.0 0.0 3.69 641 574 A 83 LEU H A 83 LEU HBx 1.0 0.0 3.66 642 575 A 83 LEU H A 84 ILE HG1x 1.0 0.0 5.23 643 576 A 31 VAL H A 32 LEU H 1.0 0.0 3.49 644 577 A 31 VAL H A 30 ALA H 1.0 0.0 3.45 645 578 A 31 VAL H A 28 MET HA 1.0 0.0 3.83 646 579 A 32 LEU HA A 31 VAL H 1.0 0.0 5.50 647 580 A 31 VAL H A 29 VAL HA 1.0 0.0 5.37 648 581 A 31 VAL HB A 31 VAL H 1.0 0.0 3.28 649 582 A 30 ALA HB% A 31 VAL H 1.0 0.0 3.82 650 583 A 31 VAL H A 31 VAL HG1% 1.0 0.0 3.50 651 584 A 31 VAL H A 31 VAL HG2% 1.0 0.0 3.71 652 585 A 31 VAL H A 18 ALA HA 1.0 0.0 5.50 653 586 A 79 SER H A 78 ARG H 1.0 0.0 3.32 654 587 A 79 SER H A 79 SER HB2 1.0 0.0 3.15 655 587 A 79 SER HB3 A 79 SER H 1.0 0.0 3.15 656 588 A 76 LEU HA A 79 SER H 1.0 0.0 4.18 657 589 A 79 SER H A 78 ARG HB2 1.0 0.0 3.29 658 589 A 79 SER H A 78 ARG HB3 1.0 0.0 3.29 659 590 A 79 SER H A 78 ARG HGx 1.0 0.0 4.46 660 591 A 79 SER H A 76 LEU HD1% 1.0 0.0 5.05 661 591 A 76 LEU HD2% A 79 SER H 1.0 0.0 5.05 662 592 A 79 SER H A 80 TRP HD1 1.0 0.0 5.36 663 593 A 77 LEU H A 77 LEU HBy 1.0 0.0 3.87 664 594 A 77 LEU H A 77 LEU HBx 1.0 0.0 3.90 665 595 A 77 LEU H A 77 LEU HG 1.0 0.0 4.23 666 596 A 77 LEU H A 77 LEU HD1% 1.0 0.0 3.87 667 596 A 77 LEU H A 77 LEU HD2% 1.0 0.0 3.87 668 597 A 77 LEU H A 76 LEU HD1% 1.0 0.0 4.40 669 597 A 76 LEU HD2% A 77 LEU H 1.0 0.0 4.40 670 598 A 72 ARG H A 74 LYS H 1.0 0.0 5.02 671 599 A 56 LEU H A 57 ILE HD1% 1.0 0.0 5.50 672 600 A 56 LEU H A 57 ILE H 1.0 0.0 3.61 673 601 A 56 LEU H A 59 ASP H 1.0 0.0 5.50 674 602 A 56 LEU H A 53 LEU HA 1.0 0.0 3.92 675 603 A 56 LEU H A 56 LEU HBy 1.0 0.0 3.12 676 604 A 56 LEU H A 56 LEU HBx 1.0 0.0 3.62 677 605 A 56 LEU H A 56 LEU HD1% 1.0 0.0 3.79 678 605 A 56 LEU H A 56 LEU HD2% 1.0 0.0 3.79 679 606 A 56 LEU H A 59 ASP HBy 1.0 0.0 5.50 680 607 A 56 LEU H A 57 ILE HB 1.0 0.0 5.50 681 608 A 77 LEU H A 78 ARG HGx 1.0 0.0 5.50 682 609 A 31 VAL H A 27 ASN H 1.0 0.0 5.13 683 610 A 31 VAL HB A 27 ASN H 1.0 0.0 5.50 684 611 A 30 ALA H A 27 ASN H 1.0 0.0 5.50 685 612 A 27 ASN H A 25 ILE HA 1.0 0.0 4.08 686 613 A 26 ARG H A 27 ASN H 1.0 0.0 3.48 687 614 A 28 MET H A 27 ASN H 1.0 0.0 5.39 688 615 A 19 ILE HA A 27 ASN H 1.0 0.0 4.47 689 616 A 27 ASN HBy A 27 ASN H 1.0 0.0 3.91 690 617 A 27 ASN HBx A 27 ASN H 1.0 0.0 3.88 691 618 A 27 ASN H A 28 MET HBx 1.0 0.0 5.50 692 618 A 27 ASN H A 28 MET HBy 1.0 0.0 5.50 693 619 A 26 ARG HBy A 27 ASN H 1.0 0.0 4.17 694 620 A 18 ALA HB% A 27 ASN H 1.0 0.0 4.54 695 621 A 26 ARG HBx A 27 ASN H 1.0 0.0 3.79 696 622 A 31 VAL HG1% A 27 ASN H 1.0 0.0 4.90 697 623 A 25 ILE HG2% A 27 ASN H 1.0 0.0 3.96 698 624 A 40 LYS H A 37 SER H 1.0 0.0 5.44 699 625 A 39 GLU HGy A 37 SER H 1.0 0.0 5.50 700 626 A 28 MET HA A 27 ASN H 1.0 0.0 5.50 701 627 A 37 SER HBy A 37 SER H 1.0 0.0 3.23 702 628 A 37 SER HBx A 37 SER H 1.0 0.0 3.49 703 629 A 37 SER H A 34 VAL HA 1.0 0.0 3.95 704 630 A 38 LEU HBy A 37 SER H 1.0 0.0 4.96 705 631 A 37 SER H A 38 LEU HD1% 1.0 0.0 5.50 706 631 A 38 LEU HD2% A 37 SER H 1.0 0.0 5.50 707 632 A 37 SER H A 35 ILE HG2% 1.0 0.0 5.50 708 633 A 19 ILE H A 27 ASN H 1.0 0.0 5.50 709 634 A 54 GLY H A 53 LEU H 1.0 0.0 3.96 710 635 A 53 LEU H A 51 THR HB 1.0 0.0 4.35 711 636 A 53 LEU H A 48 LEU HA 1.0 0.0 4.42 712 637 A 53 LEU H A 12 ARG HDx 1.0 0.0 5.38 713 638 A 52 ARG HBy A 53 LEU H 1.0 0.0 5.07 714 639 A 53 LEU H A 52 ARG HBx 1.0 0.0 5.21 715 640 A 53 LEU H A 53 LEU HD1% 1.0 0.0 4.02 716 640 A 53 LEU HD2% A 53 LEU H 1.0 0.0 4.02 717 641 A 53 LEU H A 43 ILE HD1% 1.0 0.0 5.50 718 642 A 48 LEU HD1% A 53 LEU H 1.0 0.0 5.17 719 643 A 48 LEU HD2% A 53 LEU H 1.0 0.0 4.88 720 644 A 5 PRO HB2 A 7 SER H 1.0 0.0 4.99 721 645 A 7 SER H A 5 PRO HB3 1.0 0.0 5.50 722 646 A 7 SER H A 6 ALA HB% 1.0 0.0 4.93 723 647 A 24 ASN H A 24 ASN HD22 1.0 0.0 4.24 724 648 A 24 ASN H A 22 GLN H 1.0 0.0 3.94 725 649 A 24 ASN H A 24 ASN HD21 1.0 0.0 4.18 726 650 A 24 ASN H A 19 ILE HA 1.0 0.0 5.46 727 651 A 24 ASN H A 20 ASP HA 1.0 0.0 5.50 728 652 A 24 ASN H A 23 SER HBy 1.0 0.0 4.97 729 653 A 24 ASN H A 24 ASN HBy 1.0 0.0 3.46 730 654 A 24 ASN H A 22 GLN HBy 1.0 0.0 4.46 731 655 A 24 ASN H A 19 ILE HB 1.0 0.0 4.46 732 656 A 24 ASN H A 63 LYS HDx 1.0 0.0 5.50 733 657 A 24 ASN H A 19 ILE HD1% 1.0 0.0 5.50 734 658 A 10 GLN HBx A 7 SER H 1.0 0.0 5.50 735 659 A 24 ASN H A 25 ILE H 1.0 0.0 4.70 736 660 A 24 ASN H A 63 LYS HGx 1.0 0.0 5.50 737 660 A 24 ASN H A 63 LYS HGy 1.0 0.0 5.50 738 661 A 27 ASN H A 27 ASN HD21 1.0 0.0 5.50 739 662 A 24 ASN H A 20 ASP HBy 1.0 0.0 5.50 740 663 A 34 VAL HB A 37 SER H 1.0 0.0 5.50 741 664 A 34 VAL HG2% A 37 SER H 1.0 0.0 5.50 742 665 A 53 LEU H A 49 GLU H 1.0 0.0 5.50 743 666 A 57 ILE H A 80 TRP HZ3 1.0 0.0 5.15 744 667 A 55 LYS H A 57 ILE H 1.0 0.0 5.08 745 668 A 58 ASN HA A 57 ILE H 1.0 0.0 5.40 746 669 A 58 ASN HBy A 57 ILE H 1.0 0.0 5.25 747 670 A 57 ILE H A 56 LEU HBy 1.0 0.0 3.90 748 671 A 57 ILE H A 57 ILE HG1x 1.0 0.0 3.96 749 672 A 57 ILE H A 56 LEU HBx 1.0 0.0 4.21 750 673 A 57 ILE H A 56 LEU HD1% 1.0 0.0 5.31 751 673 A 56 LEU HD2% A 57 ILE H 1.0 0.0 5.31 752 674 A 57 ILE H A 57 ILE HG2% 1.0 0.0 4.92 753 675 A 57 ILE HB A 57 ILE H 1.0 0.0 3.53 754 676 A 58 ASN HD22 A 59 ASP HA 1.0 0.0 5.50 755 677 A 13 ASP H A 16 LEU H 1.0 0.0 5.50 756 678 A 40 LYS H A 39 GLU HGy 1.0 0.0 5.42 757 679 A 40 LYS H A 39 GLU HBy 1.0 0.0 4.39 758 680 A 40 LYS H A 40 LYS HGx 1.0 0.0 4.75 759 681 A 40 LYS H A 76 LEU HD1% 1.0 0.0 5.43 760 681 A 76 LEU HD2% A 40 LYS H 1.0 0.0 5.43 761 682 A 40 LYS H A 42 PRO HDx 1.0 0.0 5.45 762 683 A 40 LYS H A 39 GLU HGx 1.0 0.0 5.28 763 684 A 40 LYS H A 39 GLU H 1.0 0.0 3.75 764 685 A 40 LYS H A 39 GLU HBx 1.0 0.0 4.52 765 686 A 40 LYS H A 40 LYS HBx 1.0 0.0 3.45 766 686 A 40 LYS H A 40 LYS HBy 1.0 0.0 3.45 767 687 A 40 LYS H A 40 LYS HGy 1.0 0.0 4.49 768 688 A 40 LYS H A 41 TYR HA 1.0 0.0 5.49 769 689 A 59 ASP H A 58 ASN HD22 1.0 0.0 5.50 770 690 A 59 ASP H A 58 ASN HD21 1.0 0.0 5.50 771 691 A 13 ASP HBy A 16 LEU H 1.0 0.0 5.50 772 692 A 58 ASN HD21 A 55 LYS HA 1.0 0.0 5.50 773 693 A 14 ARG H A 16 LEU H 1.0 0.0 4.95 774 694 A 17 GLN HGx A 16 LEU H 1.0 0.0 5.50 775 695 A 18 ALA H A 16 LEU H 1.0 0.0 4.94 776 696 A 17 GLN H A 16 LEU H 1.0 0.0 3.46 777 697 A 13 ASP HA A 16 LEU H 1.0 0.0 4.00 778 698 A 12 ARG HA A 16 LEU H 1.0 0.0 5.40 779 699 A 17 GLN HGy A 16 LEU H 1.0 0.0 5.12 780 700 A 15 LEU HBy A 16 LEU H 1.0 0.0 3.64 781 701 A 16 LEU H A 16 LEU HBx 1.0 0.0 3.55 782 702 A 16 LEU H A 16 LEU HD1% 1.0 0.0 3.45 783 702 A 16 LEU HD2% A 16 LEU H 1.0 0.0 3.45 784 703 A 11 ILE H A 9 GLN H 1.0 0.0 5.06 785 704 A 9 GLN H A 9 GLN HGy 1.0 0.0 4.49 786 705 A 51 THR HG2% A 9 GLN H 1.0 0.0 4.61 787 706 A 34 VAL HG1% A 16 LEU H 1.0 0.0 5.50 788 707 A 9 GLN H A 9 GLN HE21 1.0 0.0 5.29 789 708 A 9 GLN H A 7 SER HA 1.0 0.0 4.16 790 709 A 9 GLN H A 9 GLN HGx 1.0 0.0 4.14 791 710 A 9 GLN H A 9 GLN HBy 1.0 0.0 3.51 792 711 A 9 GLN H A 9 GLN HBx 1.0 0.0 3.61 793 712 A 9 GLN H A 8 PRO HBx 1.0 0.0 3.98 794 713 A 47 ALA HB% A 9 GLN H 1.0 0.0 5.50 795 714 A 20 ASP HA A 22 GLN H 1.0 0.0 4.97 796 715 A 62 LYS H A 63 LYS HGx 1.0 0.0 5.50 797 715 A 63 LYS HGy A 62 LYS H 1.0 0.0 5.50 798 716 A 24 ASN HBy A 22 GLN H 1.0 0.0 5.47 799 717 A 62 LYS H A 63 LYS HA 1.0 0.0 4.98 800 718 A 22 GLN H A 24 ASN HD21 1.0 0.0 5.02 801 719 A 22 GLN H A 20 ASP HBy 1.0 0.0 5.24 802 720 A 22 GLN H A 21 PRO HBy 1.0 0.0 4.43 803 721 A 23 SER H A 22 GLN H 1.0 0.0 3.25 804 722 A 22 GLN H A 21 PRO HDx 1.0 0.0 4.87 805 723 A 22 GLN HBy A 22 GLN H 1.0 0.0 3.50 806 724 A 22 GLN HBx A 22 GLN H 1.0 0.0 3.61 807 725 A 88 HIS HD2 A 82 LYS H 1.0 0.0 5.50 808 726 A 9 GLN H A 10 GLN HE2x 1.0 0.0 5.50 809 727 A 9 GLN H A 7 SER HBx 1.0 0.0 5.50 810 728 A 58 ASN HA A 62 LYS H 1.0 0.0 5.50 811 729 A 58 ASN HBx A 62 LYS H 1.0 0.0 5.50 812 730 A 81 GLN HBx A 82 LYS H 1.0 0.0 5.50 813 731 A 22 GLN H A 21 PRO HGx 1.0 0.0 5.50 814 732 A 22 GLN H A 24 ASN HD22 1.0 0.0 3.72 815 733 A 22 GLN H A 21 PRO HDy 1.0 0.0 3.57 816 734 A 82 LYS H A 82 LYS HGx 1.0 0.0 5.50 817 734 A 82 LYS HGy A 82 LYS H 1.0 0.0 5.50 818 735 A 82 LYS H A 82 LYS HDx 1.0 0.0 5.50 819 735 A 82 LYS HDy A 82 LYS H 1.0 0.0 5.50 820 736 A 88 HIS HA A 82 LYS H 1.0 0.0 5.50 821 737 A 62 LYS H A 63 LYS H 1.0 0.0 5.50 822 738 A 87 ALA H A 82 LYS H 1.0 0.0 5.50 823 739 A 84 ILE H A 82 LYS HDx 1.0 0.0 5.50 824 739 A 82 LYS HDy A 84 ILE H 1.0 0.0 5.50 825 740 A 80 TRP HA A 82 LYS H 1.0 0.0 5.50 826 741 A 64 THR HG2% A 63 LYS H 1.0 0.0 4.82 827 742 A 25 ILE HD1% A 63 LYS H 1.0 0.0 5.48 828 743 A 61 ARG H A 63 LYS H 1.0 0.0 4.86 829 744 A 64 THR HB A 63 LYS H 1.0 0.0 5.26 830 745 A 60 VAL HA A 63 LYS H 1.0 0.0 5.19 831 746 A 63 LYS H A 63 LYS HEx 1.0 0.0 5.50 832 746 A 63 LYS HEy A 63 LYS H 1.0 0.0 5.50 833 747 A 63 LYS H A 63 LYS HBy 1.0 0.0 3.61 834 748 A 63 LYS H A 63 LYS HBx 1.0 0.0 3.32 835 749 A 63 LYS H A 63 LYS HGx 1.0 0.0 4.27 836 749 A 63 LYS HGy A 63 LYS H 1.0 0.0 4.27 837 750 A 61 ARG HBy A 63 LYS H 1.0 0.0 5.50 838 751 A 84 ILE H A 85 GLU HA 1.0 0.0 5.50 839 752 A 84 ILE H A 85 GLU HG2 1.0 0.0 5.50 840 752 A 84 ILE H A 85 GLU HG3 1.0 0.0 5.50 841 753 A 84 ILE H A 84 ILE HB 1.0 0.0 3.79 842 754 A 84 ILE H A 83 LEU HG 1.0 0.0 5.26 843 755 A 84 ILE H A 84 ILE HG2% 1.0 0.0 4.35 844 756 A 59 ASP H A 63 LYS H 1.0 0.0 5.50 845 757 A 84 ILE HG1y A 84 ILE H 1.0 0.0 4.27 846 758 A 84 ILE H A 84 ILE HG1x 1.0 0.0 4.50 847 759 A 63 LYS H A 62 LYS HBx 1.0 0.0 5.50 848 759 A 63 LYS H A 62 LYS HBy 1.0 0.0 5.50 849 760 A 36 SER H A 38 LEU HBy 1.0 0.0 5.50 850 761 A 34 VAL HG1% A 36 SER H 1.0 0.0 5.50 851 762 A 35 ILE HD1% A 36 SER H 1.0 0.0 5.42 852 763 A 36 SER H A 37 SER H 1.0 0.0 3.43 853 764 A 36 SER H A 36 SER HBy 1.0 0.0 4.01 854 765 A 36 SER H A 36 SER HBx 1.0 0.0 3.31 855 766 A 35 ILE HB A 36 SER H 1.0 0.0 3.40 856 767 A 36 SER H A 35 ILE HG2% 1.0 0.0 4.15 857 768 A 34 VAL H A 36 SER H 1.0 0.0 4.37 858 769 A 34 VAL HB A 36 SER H 1.0 0.0 5.18 859 770 A 52 ARG H A 53 LEU HD1% 1.0 0.0 5.50 860 770 A 53 LEU HD2% A 52 ARG H 1.0 0.0 5.50 861 771 A 54 GLY H A 52 ARG H 1.0 0.0 4.92 862 772 A 51 THR H A 52 ARG H 1.0 0.0 3.55 863 773 A 53 LEU H A 52 ARG H 1.0 0.0 3.70 864 774 A 53 LEU HA A 52 ARG H 1.0 0.0 5.50 865 775 A 48 LEU HA A 52 ARG H 1.0 0.0 4.79 866 776 A 52 ARG H A 52 ARG HBx 1.0 0.0 3.66 867 777 A 47 ALA HB% A 52 ARG H 1.0 0.0 5.43 868 778 A 51 THR HG2% A 52 ARG H 1.0 0.0 4.85 869 779 A 17 GLN H A 18 ALA HA 1.0 0.0 5.33 870 780 A 17 GLN HGy A 17 GLN H 1.0 0.0 3.90 871 781 A 17 GLN HGx A 17 GLN H 1.0 0.0 4.17 872 782 A 17 GLN H A 17 GLN HBx 1.0 0.0 3.32 873 783 A 16 LEU HBy A 17 GLN H 1.0 0.0 4.12 874 784 A 18 ALA HB% A 17 GLN H 1.0 0.0 4.93 875 785 A 17 GLN H A 16 LEU HBx 1.0 0.0 4.18 876 786 A 17 GLN H A 16 LEU HD1% 1.0 0.0 4.34 877 786 A 16 LEU HD2% A 17 GLN H 1.0 0.0 4.34 878 787 A 19 ILE H A 17 GLN H 1.0 0.0 5.50 879 788 A 26 ARG H A 19 ILE H 1.0 0.0 5.02 880 789 A 20 ASP H A 19 ILE H 1.0 0.0 4.78 881 790 A 19 ILE H A 16 LEU H 1.0 0.0 5.48 882 791 A 19 ILE H A 26 ARG HDx 1.0 0.0 5.50 883 791 A 26 ARG HDy A 19 ILE H 1.0 0.0 5.50 884 792 A 27 ASN HBx A 19 ILE H 1.0 0.0 5.50 885 793 A 19 ILE H A 18 ALA HB% 1.0 0.0 4.13 886 794 A 19 ILE H A 17 GLN HA 1.0 0.0 4.79 887 795 A 19 ILE H A 16 LEU HA 1.0 0.0 4.08 888 796 A 19 ILE H A 16 LEU HD1% 1.0 0.0 5.07 889 796 A 19 ILE H A 16 LEU HD2% 1.0 0.0 5.07 890 797 A 19 ILE HG2% A 19 ILE H 1.0 0.0 4.14 891 798 A 64 THR H A 63 LYS H 1.0 0.0 3.25 892 799 A 64 THR H A 64 THR HB 1.0 0.0 3.39 893 800 A 64 THR H A 63 LYS HBy 1.0 0.0 4.28 894 801 A 64 THR H A 63 LYS HBx 1.0 0.0 3.97 895 802 A 70 ALA HB% A 64 THR H 1.0 0.0 4.83 896 803 A 64 THR H A 64 THR HG2% 1.0 0.0 3.29 897 804 A 64 THR H A 62 LYS HA 1.0 0.0 5.12 898 805 A 64 THR H A 61 ARG HA 1.0 0.0 4.67 899 806 A 64 THR H A 63 LYS HEx 1.0 0.0 5.09 900 806 A 64 THR H A 63 LYS HEy 1.0 0.0 5.09 901 807 A 64 THR H A 60 VAL HG1% 1.0 0.0 5.50 902 808 A 66 ASN H A 66 ASN HD22 1.0 0.0 5.50 903 809 A 66 ASN HD22 A 68 GLU HB2 1.0 0.0 4.97 904 809 A 66 ASN HD22 A 68 GLU HB3 1.0 0.0 4.97 905 810 A 66 ASN HD22 A 69 LEU HD1% 1.0 0.0 5.50 906 810 A 66 ASN HD22 A 69 LEU HD2% 1.0 0.0 5.50 907 811 A 66 ASN HD21 A 68 GLU HB2 1.0 0.0 4.88 908 811 A 66 ASN HD21 A 68 GLU HB3 1.0 0.0 4.88 909 812 A 66 ASN HD21 A 69 LEU HD1% 1.0 0.0 5.50 910 812 A 69 LEU HD2% A 66 ASN HD21 1.0 0.0 5.50 911 813 A 70 ALA H A 66 ASN HD21 1.0 0.0 5.50 912 814 A 66 ASN HD21 A 69 LEU HBx 1.0 0.0 5.31 913 815 A 7 SER HA A 9 GLN HE21 1.0 0.0 4.62 914 816 A 67 GLU H A 66 ASN HD21 1.0 0.0 5.50 915 817 A 66 ASN HD22 A 70 ALA H 1.0 0.0 5.50 916 818 A 66 ASN HD21 A 69 LEU HA 1.0 0.0 5.50 917 819 A 66 ASN HA A 66 ASN HD21 1.0 0.0 5.50 918 820 A 51 THR HG2% A 9 GLN HE22 1.0 0.0 5.33 919 821 A 9 GLN H A 9 GLN HE22 1.0 0.0 5.50 920 822 A 10 GLN HE2y A 10 GLN HBy 1.0 0.0 5.50 921 823 A 10 GLN HE2y A 9 GLN H 1.0 0.0 5.44 922 824 A 66 ASN HD22 A 68 GLU HG2 1.0 0.0 4.68 923 824 A 66 ASN HD22 A 68 GLU HG3 1.0 0.0 4.68 924 825 A 8 PRO HA A 44 THR H 1.0 0.0 5.50 925 826 A 22 GLN HBy A 22 GLN HE22 1.0 0.0 5.50 926 827 A 24 ASN HD22 A 22 GLN HE21 1.0 0.0 5.50 927 828 A 80 TRP HBx A 81 GLN HE21 1.0 0.0 5.50 928 829 A 11 ILE HD1% A 10 GLN HE2x 1.0 0.0 5.50 929 830 A 10 GLN HE2y A 7 SER HA 1.0 0.0 5.00 930 831 A 10 GLN HE2y A 10 GLN H 1.0 0.0 5.50 931 832 A 10 GLN HE2y A 10 GLN HBx 1.0 0.0 5.50 932 833 A 10 GLN HE2y A 6 ALA HB% 1.0 0.0 5.50 933 834 A 23 SER HBy A 22 GLN HE21 1.0 0.0 5.07 934 835 A 30 ALA H A 27 ASN HD21 1.0 0.0 5.50 935 836 A 22 GLN HA A 22 GLN HE21 1.0 0.0 5.34 936 837 A 47 ALA HB% A 9 GLN HE22 1.0 0.0 5.50 937 838 A 10 GLN HE2y A 9 GLN HBy 1.0 0.0 5.50 938 839 A 23 SER HBy A 22 GLN HE22 1.0 0.0 5.50 939 840 A 10 GLN HE2y A 11 ILE HD1% 1.0 0.0 5.50 940 841 A 5 PRO HB2 A 10 GLN HE2x 1.0 0.0 5.50 941 842 A 10 GLN HBx A 10 GLN HE2x 1.0 0.0 5.21 942 843 A 18 ALA HB% A 27 ASN HD21 1.0 0.0 5.50 943 844 A 17 GLN HE21 A 17 GLN HBy 1.0 0.0 5.22 944 845 A 9 GLN HE21 A 9 GLN HBy 1.0 0.0 5.04 945 846 A 9 GLN HE21 A 8 PRO HBx 1.0 0.0 5.46 946 847 A 9 GLN HBx A 9 GLN HE22 1.0 0.0 5.50 947 848 A 45 LYS H A 44 THR H 1.0 0.0 5.50 948 849 A 43 ILE H A 44 THR H 1.0 0.0 5.50 949 850 A 44 THR HG2% A 44 THR H 1.0 0.0 5.50 950 851 A 43 ILE HB A 44 THR H 1.0 0.0 5.50 951 852 A 43 ILE HG2% A 44 THR H 1.0 0.0 5.50 952 853 A 10 GLN HE2x A 6 ALA HB% 1.0 0.0 5.50 953 854 A 24 ASN HD21 A 22 GLN HE21 1.0 0.0 5.50 954 855 A 18 ALA HA A 27 ASN HD21 1.0 0.0 5.50 955 856 A 81 GLN HE21 A 54 GLY HAy 1.0 0.0 5.29 956 857 A 80 TRP HBy A 81 GLN HE21 1.0 0.0 5.28 957 858 A 81 GLN HE21 A 77 LEU HD1% 1.0 0.0 5.50 958 858 A 77 LEU HD2% A 81 GLN HE21 1.0 0.0 5.50 959 859 A 10 GLN HE2y A 5 PRO HA 1.0 0.0 5.50 960 860 A 14 ARG HA A 17 GLN HE22 1.0 0.0 5.50 961 861 A 43 ILE HD1% A 44 THR H 1.0 0.0 5.50 962 862 A 10 GLN HE2x A 7 SER H 1.0 0.0 5.50 963 863 A 11 ILE H A 10 GLN HE2x 1.0 0.0 5.36 964 864 A 26 ARG HBy A 27 ASN HD21 1.0 0.0 5.50 965 865 A 27 ASN HA A 27 ASN HD22 1.0 0.0 5.50 966 866 A 10 GLN HE2y A 10 GLN HA 1.0 0.0 5.50 967 867 A 23 SER H A 22 GLN HE22 1.0 0.0 5.50 968 868 A 30 ALA HA A 17 GLN HE22 1.0 0.0 5.50 969 869 A 81 GLN HE21 A 81 GLN HA 1.0 0.0 5.09 970 870 A 10 GLN HE2x A 9 GLN HGy 1.0 0.0 5.50 971 871 A 10 GLN HE2x A 9 GLN HGx 1.0 0.0 5.50 972 872 A 30 ALA HB% A 27 ASN HD21 1.0 0.0 5.50 973 873 A 27 ASN HA A 27 ASN HD21 1.0 0.0 5.50 974 874 A 77 LEU HA A 81 GLN HE21 1.0 0.0 5.35 975 875 A 10 GLN HE2y A 7 SER H 1.0 0.0 5.50 976 876 A 18 ALA H A 27 ASN HD21 1.0 0.0 5.34 977 877 A 29 VAL HG1% A 27 ASN HD21 1.0 0.0 5.50 978 878 A 81 GLN H A 81 GLN HE21 1.0 0.0 5.50 979 879 A 80 TRP H A 81 GLN HE22 1.0 0.0 5.50 980 880 A 10 GLN HE2x A 7 SER HBx 1.0 0.0 5.50 981 881 A 81 GLN HA A 81 GLN HE22 1.0 0.0 5.50 982 882 A 24 ASN H A 22 GLN HE21 1.0 0.0 5.50 983 883 A 27 ASN HD21 A 17 GLN HBy 1.0 0.0 5.50 984 884 A 17 GLN HE21 A 14 ARG H 1.0 0.0 5.50 985 885 A 17 GLN HE21 A 14 ARG HBx 1.0 0.0 5.50 986 885 A 17 GLN HE21 A 14 ARG HBy 1.0 0.0 5.50 987 886 A 77 LEU HA A 81 GLN HE22 1.0 0.0 5.50 988 887 A 30 ALA HB% A 17 GLN HE22 1.0 0.0 5.50 989 888 A 10 GLN HE2x A 5 PRO HA 1.0 0.0 5.50 990 889 A 17 GLN HE21 A 18 ALA H 1.0 0.0 4.53 991 890 A 17 GLN HE21 A 30 ALA HA 1.0 0.0 5.50 992 891 A 81 GLN HBx A 81 GLN HE22 1.0 0.0 5.50 993 892 A 30 ALA H A 17 GLN HE22 1.0 0.0 5.50 994 893 A 91 GLU HBy A 92 ALA H 1.0 0.0 5.50 995 894 A 92 ALA H A 91 GLU HA 1.0 0.0 3.28 996 895 A 12 ARG HBy A 51 THR HB 1.0 0.0 4.52 997 896 A 51 THR HB A 53 LEU HD1% 1.0 0.0 4.40 998 896 A 53 LEU HD2% A 51 THR HB 1.0 0.0 4.40 999 897 A 9 GLN HA A 51 THR HB 1.0 0.0 5.38 1000 898 A 64 THR HB A 70 ALA HA 1.0 0.0 5.43 1001 899 A 64 THR HB A 61 ARG HA 1.0 0.0 4.52 1002 900 A 64 THR HB A 60 VAL HG2% 1.0 0.0 4.03 1003 901 A 31 VAL HA A 15 LEU HA 1.0 0.0 5.18 1004 902 A 31 VAL HA A 34 VAL HB 1.0 0.0 3.68 1005 903 A 37 SER HBx A 34 VAL HA 1.0 0.0 4.75 1006 904 A 33 GLU HBy A 34 VAL HA 1.0 0.0 5.32 1007 905 A 34 VAL HG2% A 34 VAL HA 1.0 0.0 3.69 1008 906 A 35 ILE HD1% A 34 VAL HA 1.0 0.0 5.42 1009 907 A 32 LEU HBy A 29 VAL HA 1.0 0.0 4.07 1010 908 A 47 ALA HB% A 8 PRO HA 1.0 0.0 5.32 1011 909 A 8 PRO HA A 53 LEU HD1% 1.0 0.0 4.98 1012 909 A 53 LEU HD2% A 8 PRO HA 1.0 0.0 4.98 1013 910 A 8 PRO HA A 11 ILE HB 1.0 0.0 3.52 1014 911 A 64 THR HB A 60 VAL HA 1.0 0.0 4.38 1015 912 A 60 VAL HA A 63 LYS HBx 1.0 0.0 4.51 1016 913 A 60 VAL HG2% A 60 VAL HA 1.0 0.0 3.78 1017 914 A 11 ILE HG2% A 11 ILE HA 1.0 0.0 3.86 1018 915 A 35 ILE HA A 38 LEU HBy 1.0 0.0 4.00 1019 916 A 35 ILE HA A 38 LEU HBx 1.0 0.0 4.44 1020 917 A 35 ILE HG1y A 35 ILE HA 1.0 0.0 4.13 1021 918 A 86 PRO HA A 87 ALA HA 1.0 0.0 5.35 1022 919 A 87 ALA HB% A 86 PRO HA 1.0 0.0 5.11 1023 920 A 7 SER HBx A 6 ALA HB% 1.0 0.0 5.50 1024 921 A 25 ILE HA A 63 LYS HGx 1.0 0.0 5.50 1025 921 A 25 ILE HA A 63 LYS HGy 1.0 0.0 5.50 1026 922 A 25 ILE HA A 26 ARG HGx 1.0 0.0 5.50 1027 922 A 25 ILE HA A 26 ARG HGy 1.0 0.0 5.50 1028 923 A 25 ILE HD1% A 25 ILE HA 1.0 0.0 3.64 1029 924 A 5 PRO HA A 4 ALA HA 1.0 0.0 4.79 1030 925 A 6 ALA HB% A 5 PRO HA 1.0 0.0 4.54 1031 926 A 37 SER HBy A 34 VAL HA 1.0 0.0 4.24 1032 927 A 37 SER HBy A 11 ILE HD1% 1.0 0.0 4.62 1033 928 A 37 SER HBy A 38 LEU HD1% 1.0 0.0 5.20 1034 928 A 38 LEU HD2% A 37 SER HBy 1.0 0.0 5.20 1035 929 A 37 SER HBy A 11 ILE HG2% 1.0 0.0 4.98 1036 930 A 12 ARG HDx A 51 THR HA 1.0 0.0 4.02 1037 931 A 50 GLU HBy A 51 THR HA 1.0 0.0 4.49 1038 932 A 52 ARG HBx A 51 THR HA 1.0 0.0 4.61 1039 933 A 51 THR HG2% A 51 THR HA 1.0 0.0 3.29 1040 934 A 51 THR HA A 53 LEU HD1% 1.0 0.0 5.08 1041 934 A 53 LEU HD2% A 51 THR HA 1.0 0.0 5.08 1042 935 A 37 SER HBx A 5 PRO HB2 1.0 0.0 5.18 1043 936 A 37 SER HBx A 11 ILE HD1% 1.0 0.0 4.40 1044 937 A 37 SER HBx A 38 LEU HD1% 1.0 0.0 5.22 1045 937 A 38 LEU HD2% A 37 SER HBx 1.0 0.0 5.22 1046 938 A 57 ILE HA A 57 ILE HG1x 1.0 0.0 4.17 1047 939 A 57 ILE HA A 57 ILE HD1% 1.0 0.0 3.84 1048 940 A 43 ILE HG2% A 42 PRO HA 1.0 0.0 5.50 1049 941 A 37 SER HA A 40 LYS HBx 1.0 0.0 4.38 1050 941 A 40 LYS HBy A 37 SER HA 1.0 0.0 4.38 1051 942 A 80 TRP HD1 A 79 SER HB2 1.0 0.0 5.50 1052 942 A 79 SER HB3 A 80 TRP HD1 1.0 0.0 5.50 1053 943 A 76 LEU HD1% A 79 SER HB2 1.0 0.0 5.28 1054 943 A 76 LEU HD2% A 79 SER HB2 1.0 0.0 5.28 1055 943 A 79 SER HB3 A 76 LEU HD1% 1.0 0.0 5.28 1056 943 A 76 LEU HD2% A 79 SER HB3 1.0 0.0 5.28 1057 944 A 76 LEU HA A 79 SER HB2 1.0 0.0 4.35 1058 944 A 79 SER HB3 A 76 LEU HA 1.0 0.0 4.35 1059 945 A 64 THR HB A 64 THR HA 1.0 0.0 3.02 1060 946 A 65 LYS HBx A 64 THR HA 1.0 0.0 5.12 1061 947 A 70 ALA HB% A 64 THR HA 1.0 0.0 5.50 1062 948 A 60 VAL HG2% A 64 THR HA 1.0 0.0 4.22 1063 949 A 39 GLU HBy A 36 SER HA 1.0 0.0 4.37 1064 950 A 36 SER HA A 39 GLU HGx 1.0 0.0 5.41 1065 951 A 79 SER HA A 82 LYS HBy 1.0 0.0 4.34 1066 952 A 84 ILE HA A 85 GLU HA 1.0 0.0 5.16 1067 953 A 84 ILE HA A 84 ILE HG1y 1.0 0.0 4.13 1068 954 A 84 ILE HA A 84 ILE HG1x 1.0 0.0 3.96 1069 955 A 84 ILE HA A 84 ILE HG2% 1.0 0.0 3.44 1070 956 A 46 GLU HGx A 46 GLU HA 1.0 0.0 3.61 1071 957 A 43 ILE HA A 43 ILE HG1y 1.0 0.0 3.74 1072 958 A 43 ILE HA A 43 ILE HG1x 1.0 0.0 3.92 1073 959 A 43 ILE HA A 80 TRP HZ2 1.0 0.0 5.50 1074 960 A 19 ILE HD1% A 23 SER HBy 1.0 0.0 5.07 1075 961 A 63 LYS HDx A 23 SER HBy 1.0 0.0 5.34 1076 962 A 19 ILE HG2% A 23 SER HBx 1.0 0.0 5.50 1077 963 A 19 ILE HD1% A 23 SER HBx 1.0 0.0 5.23 1078 964 A 12 ARG HA A 53 LEU HD1% 1.0 0.0 3.49 1079 964 A 53 LEU HD2% A 12 ARG HA 1.0 0.0 3.49 1080 965 A 12 ARG HDx A 12 ARG HA 1.0 0.0 5.00 1081 966 A 9 GLN HA A 10 GLN HA 1.0 0.0 5.25 1082 967 A 12 ARG HDx A 9 GLN HA 1.0 0.0 5.10 1083 968 A 9 GLN HA A 9 GLN HGx 1.0 0.0 3.62 1084 969 A 9 GLN HA A 12 ARG HBx 1.0 0.0 4.37 1085 970 A 9 GLN HA A 12 ARG HDy 1.0 0.0 5.50 1086 971 A 44 THR HA A 45 LYS HA 1.0 0.0 5.11 1087 972 A 43 ILE HG2% A 44 THR HA 1.0 0.0 5.35 1088 973 A 33 GLU HA A 36 SER HBx 1.0 0.0 3.77 1089 974 A 34 VAL HG1% A 33 GLU HA 1.0 0.0 5.50 1090 975 A 71 LYS HA A 71 LYS HDx 1.0 0.0 3.66 1091 975 A 71 LYS HDy A 71 LYS HA 1.0 0.0 3.66 1092 976 A 71 LYS HA A 71 LYS HGx 1.0 0.0 4.08 1093 976 A 71 LYS HA A 71 LYS HGy 1.0 0.0 4.08 1094 977 A 75 LYS HA A 78 ARG HB2 1.0 0.0 3.40 1095 977 A 78 ARG HB3 A 75 LYS HA 1.0 0.0 3.40 1096 978 A 78 ARG HGx A 75 LYS HA 1.0 0.0 4.78 1097 979 A 19 ILE HA A 26 ARG HDx 1.0 0.0 5.31 1098 979 A 19 ILE HA A 26 ARG HDy 1.0 0.0 5.31 1099 980 A 19 ILE HA A 26 ARG HGx 1.0 0.0 3.86 1100 980 A 19 ILE HA A 26 ARG HGy 1.0 0.0 3.86 1101 981 A 19 ILE HD1% A 19 ILE HA 1.0 0.0 4.53 1102 982 A 78 ARG HA A 78 ARG HB2 1.0 0.0 2.94 1103 982 A 78 ARG HB3 A 78 ARG HA 1.0 0.0 2.94 1104 983 A 58 ASN HBy A 55 LYS HA 1.0 0.0 4.02 1105 984 A 78 ARG HA A 77 LEU HD1% 1.0 0.0 5.50 1106 984 A 77 LEU HD2% A 78 ARG HA 1.0 0.0 5.50 1107 985 A 50 GLU HBy A 50 GLU HA 1.0 0.0 2.98 1108 986 A 73 ALA HB% A 61 ARG HA 1.0 0.0 3.75 1109 987 A 60 VAL HG2% A 61 ARG HA 1.0 0.0 4.56 1110 988 A 61 ARG HA A 77 LEU HD1% 1.0 0.0 5.50 1111 988 A 77 LEU HD2% A 61 ARG HA 1.0 0.0 5.50 1112 989 A 60 VAL HG1% A 61 ARG HA 1.0 0.0 5.11 1113 990 A 81 GLN HA A 84 ILE HD1% 1.0 0.0 4.76 1114 991 A 13 ASP HBy A 10 GLN HA 1.0 0.0 4.00 1115 992 A 10 GLN HA A 10 GLN HGy 1.0 0.0 3.48 1116 993 A 38 LEU HBx A 39 GLU HA 1.0 0.0 4.24 1117 994 A 39 GLU HGy A 39 GLU HA 1.0 0.0 3.94 1118 995 A 39 GLU HA A 39 GLU HGx 1.0 0.0 3.77 1119 996 A 39 GLU HA A 38 LEU HD1% 1.0 0.0 5.50 1120 996 A 38 LEU HD2% A 39 GLU HA 1.0 0.0 5.50 1121 997 A 39 GLU HA A 76 LEU HD1% 1.0 0.0 3.71 1122 997 A 76 LEU HD2% A 39 GLU HA 1.0 0.0 3.71 1123 998 A 53 LEU HA A 56 LEU HBy 1.0 0.0 3.70 1124 999 A 48 LEU HA A 53 LEU HD1% 1.0 0.0 5.11 1125 999 A 53 LEU HD2% A 48 LEU HA 1.0 0.0 5.11 1126 1000 A 13 ASP HA A 14 ARG HA 1.0 0.0 5.50 1127 1001 A 13 ASP HA A 16 LEU HBx 1.0 0.0 4.33 1128 1002 A 56 LEU HA A 59 ASP HBy 1.0 0.0 4.14 1129 1003 A 72 ARG HBx A 69 LEU HA 1.0 0.0 4.46 1130 1004 A 32 LEU HA A 32 LEU HD2% 1.0 0.0 4.25 1131 1005 A 32 LEU HA A 32 LEU HD1% 1.0 0.0 3.51 1132 1006 A 77 LEU HA A 80 TRP HE3 1.0 0.0 4.37 1133 1007 A 77 LEU HA A 80 TRP HBx 1.0 0.0 4.50 1134 1008 A 77 LEU HA A 57 ILE HG1y 1.0 0.0 4.25 1135 1009 A 77 LEU HA A 77 LEU HG 1.0 0.0 3.47 1136 1010 A 77 LEU HA A 77 LEU HD1% 1.0 0.0 5.09 1137 1010 A 77 LEU HA A 77 LEU HD2% 1.0 0.0 5.09 1138 1011 A 77 LEU HA A 76 LEU HD1% 1.0 0.0 5.50 1139 1011 A 77 LEU HA A 76 LEU HD2% 1.0 0.0 5.50 1140 1012 A 31 VAL HB A 28 MET HA 1.0 0.0 3.59 1141 1013 A 52 ARG HA A 53 LEU HD1% 1.0 0.0 5.50 1142 1013 A 52 ARG HA A 53 LEU HD2% 1.0 0.0 5.50 1143 1014 A 16 LEU HA A 16 LEU HD1% 1.0 0.0 3.29 1144 1014 A 16 LEU HD2% A 16 LEU HA 1.0 0.0 3.29 1145 1015 A 76 LEU HA A 76 LEU HD1% 1.0 0.0 3.44 1146 1015 A 76 LEU HD2% A 76 LEU HA 1.0 0.0 3.44 1147 1016 A 58 ASN HA A 58 ASN HD21 1.0 0.0 5.20 1148 1017 A 42 PRO HBx A 38 LEU HA 1.0 0.0 4.12 1149 1018 A 58 ASN HA A 61 ARG HBx 1.0 0.0 3.52 1150 1019 A 38 LEU HA A 38 LEU HD1% 1.0 0.0 3.46 1151 1019 A 38 LEU HD2% A 38 LEU HA 1.0 0.0 3.46 1152 1020 A 38 LEU HA A 11 ILE HD1% 1.0 0.0 5.50 1153 1021 A 58 ASN HA A 61 ARG HA 1.0 0.0 4.79 1154 1022 A 58 ASN HA A 61 ARG HBy 1.0 0.0 3.76 1155 1023 A 17 GLN HA A 16 LEU HA 1.0 0.0 4.91 1156 1024 A 80 TRP HA A 45 LYS HBy 1.0 0.0 4.98 1157 1025 A 80 TRP HA A 80 TRP HD1 1.0 0.0 3.50 1158 1026 A 80 TRP HA A 82 LYS HDx 1.0 0.0 4.48 1159 1026 A 80 TRP HA A 82 LYS HDy 1.0 0.0 4.48 1160 1027 A 19 ILE HA A 26 ARG HA 1.0 0.0 4.89 1161 1028 A 26 ARG HA A 25 ILE HA 1.0 0.0 5.06 1162 1029 A 26 ARG HA A 26 ARG HGx 1.0 0.0 3.42 1163 1029 A 26 ARG HA A 26 ARG HGy 1.0 0.0 3.42 1164 1030 A 40 LYS HGx A 40 LYS HA 1.0 0.0 4.01 1165 1031 A 70 ALA HA A 69 LEU HD1% 1.0 0.0 4.80 1166 1031 A 70 ALA HA A 69 LEU HD2% 1.0 0.0 4.80 1167 1032 A 70 ALA HA A 73 ALA HB% 1.0 0.0 3.28 1168 1033 A 7 SER HA A 6 ALA HB% 1.0 0.0 5.26 1169 1034 A 88 HIS HD2 A 88 HIS HA 1.0 0.0 4.90 1170 1035 A 87 ALA HB% A 88 HIS HA 1.0 0.0 5.40 1171 1036 A 83 LEU HA A 82 LYS HEx 1.0 0.0 5.36 1172 1036 A 83 LEU HA A 82 LYS HEy 1.0 0.0 5.36 1173 1037 A 83 LEU HA A 83 LEU HDx% 1.0 0.0 3.24 1174 1037 A 83 LEU HA A 83 LEU HDy% 1.0 0.0 3.24 1175 1038 A 41 TYR HA A 42 PRO HGy 1.0 0.0 4.99 1176 1039 A 42 PRO HBx A 41 TYR HA 1.0 0.0 5.50 1177 1040 A 64 THR HG2% A 65 LYS HA 1.0 0.0 5.50 1178 1041 A 63 LYS HA A 63 LYS HDy 1.0 0.0 5.14 1179 1042 A 63 LYS HA A 63 LYS HGx 1.0 0.0 3.90 1180 1042 A 63 LYS HGy A 63 LYS HA 1.0 0.0 3.90 1181 1043 A 22 GLN HA A 23 SER HA 1.0 0.0 5.15 1182 1044 A 47 ALA HA A 50 GLU HBy 1.0 0.0 3.55 1183 1045 A 47 ALA HA A 50 GLU HBx 1.0 0.0 3.71 1184 1046 A 72 ARG HBy A 73 ALA HA 1.0 0.0 5.29 1185 1047 A 73 ALA HA A 76 LEU HBy 1.0 0.0 3.81 1186 1048 A 73 ALA HA A 77 LEU HD1% 1.0 0.0 4.86 1187 1048 A 73 ALA HA A 77 LEU HD2% 1.0 0.0 4.86 1188 1049 A 73 ALA HA A 76 LEU HD1% 1.0 0.0 4.35 1189 1049 A 76 LEU HD2% A 73 ALA HA 1.0 0.0 4.35 1190 1050 A 85 GLU HA A 85 GLU HG2 1.0 0.0 3.78 1191 1050 A 85 GLU HG3 A 85 GLU HA 1.0 0.0 3.78 1192 1051 A 30 ALA HA A 33 GLU HGx 1.0 0.0 4.70 1193 1051 A 33 GLU HGy A 30 ALA HA 1.0 0.0 4.70 1194 1052 A 33 GLU HBy A 30 ALA HA 1.0 0.0 3.55 1195 1053 A 29 VAL HG1% A 30 ALA HA 1.0 0.0 5.20 1196 1054 A 66 ASN HA A 67 GLU HA 1.0 0.0 5.32 1197 1055 A 66 ASN HA A 70 ALA HB% 1.0 0.0 5.34 1198 1056 A 66 ASN HA A 64 THR HG2% 1.0 0.0 5.50 1199 1057 A 63 LYS HDx A 24 ASN HA 1.0 0.0 5.36 1200 1058 A 24 ASN HA A 25 ILE HA 1.0 0.0 5.38 1201 1059 A 24 ASN HA A 23 SER HA 1.0 0.0 5.40 1202 1060 A 24 ASN HA A 25 ILE HD1% 1.0 0.0 5.41 1203 1061 A 24 ASN HA A 25 ILE HB 1.0 0.0 4.93 1204 1062 A 18 ALA HA A 17 GLN HA 1.0 0.0 5.17 1205 1063 A 27 ASN HBy A 18 ALA HA 1.0 0.0 4.11 1206 1064 A 27 ASN HBx A 18 ALA HA 1.0 0.0 4.16 1207 1065 A 26 ARG HBy A 18 ALA HA 1.0 0.0 5.10 1208 1066 A 26 ARG HBx A 18 ALA HA 1.0 0.0 5.37 1209 1067 A 20 ASP HA A 21 PRO HDy 1.0 0.0 3.64 1210 1068 A 20 ASP HA A 21 PRO HDx 1.0 0.0 3.95 1211 1069 A 20 ASP HA A 26 ARG HDx 1.0 0.0 4.67 1212 1069 A 20 ASP HA A 26 ARG HDy 1.0 0.0 4.67 1213 1070 A 20 ASP HA A 21 PRO HGy 1.0 0.0 5.26 1214 1071 A 20 ASP HA A 21 PRO HGx 1.0 0.0 5.12 1215 1072 A 20 ASP HA A 26 ARG HGx 1.0 0.0 4.98 1216 1072 A 20 ASP HA A 26 ARG HGy 1.0 0.0 4.98 1217 1073 A 15 LEU HA A 18 ALA HA 1.0 0.0 5.39 1218 1074 A 20 ASP HBx A 21 PRO HDy 1.0 0.0 4.34 1219 1075 A 27 ASN HA A 29 VAL HG1% 1.0 0.0 5.50 1220 1076 A 27 ASN HA A 18 ALA HA 1.0 0.0 5.30 1221 1077 A 27 ASN HA A 26 ARG HBy 1.0 0.0 5.30 1222 1078 A 27 ASN HA A 30 ALA HB% 1.0 0.0 5.06 1223 1079 A 27 ASN HA A 25 ILE HG2% 1.0 0.0 4.77 1224 1080 A 27 ASN HA A 28 MET HBx 1.0 0.0 4.89 1225 1080 A 27 ASN HA A 28 MET HBy 1.0 0.0 4.89 1226 1081 A 5 PRO HB2 A 6 ALA HA 1.0 0.0 4.89 1227 1082 A 11 ILE HD1% A 6 ALA HA 1.0 0.0 5.44 1228 1083 A 4 ALA HA A 5 PRO HDy 1.0 0.0 3.02 1229 1084 A 4 ALA HA A 5 PRO HDx 1.0 0.0 3.12 1230 1085 A 5 PRO HDy A 4 ALA HB% 1.0 0.0 4.15 1231 1086 A 42 PRO HDy A 41 TYR HA 1.0 0.0 3.45 1232 1087 A 42 PRO HDx A 41 TYR HA 1.0 0.0 3.66 1233 1088 A 80 TRP HE3 A 54 GLY HAy 1.0 0.0 5.03 1234 1089 A 54 GLY HAy A 53 LEU HD1% 1.0 0.0 5.50 1235 1089 A 53 LEU HD2% A 54 GLY HAy 1.0 0.0 5.50 1236 1090 A 80 TRP HZ3 A 54 GLY HAy 1.0 0.0 4.64 1237 1091 A 53 LEU HBy A 53 LEU HD1% 1.0 0.0 3.90 1238 1091 A 53 LEU HD2% A 53 LEU HBy 1.0 0.0 3.90 1239 1092 A 26 ARG HA A 26 ARG HDx 1.0 0.0 4.14 1240 1092 A 26 ARG HDy A 26 ARG HA 1.0 0.0 4.14 1241 1093 A 20 ASP HBx A 26 ARG HDx 1.0 0.0 4.52 1242 1093 A 26 ARG HDy A 20 ASP HBx 1.0 0.0 4.52 1243 1094 A 45 LYS HA A 83 LEU HBy 1.0 0.0 5.50 1244 1095 A 57 ILE HD1% A 56 LEU HBx 1.0 0.0 5.50 1245 1096 A 51 THR HA A 12 ARG HDy 1.0 0.0 4.33 1246 1097 A 51 THR HB A 12 ARG HDy 1.0 0.0 4.45 1247 1098 A 12 ARG HDx A 51 THR HB 1.0 0.0 4.74 1248 1099 A 12 ARG HDx A 12 ARG HBy 1.0 0.0 4.03 1249 1100 A 38 LEU HBy A 35 ILE HG2% 1.0 0.0 5.50 1250 1101 A 80 TRP HZ2 A 38 LEU HBy 1.0 0.0 4.92 1251 1102 A 38 LEU HBy A 38 LEU HD1% 1.0 0.0 4.14 1252 1102 A 38 LEU HD2% A 38 LEU HBy 1.0 0.0 4.14 1253 1103 A 83 LEU HBy A 83 LEU HDx% 1.0 0.0 4.08 1254 1103 A 83 LEU HDy% A 83 LEU HBy 1.0 0.0 4.08 1255 1104 A 34 VAL HG2% A 38 LEU HBx 1.0 0.0 5.50 1256 1105 A 80 TRP HZ2 A 38 LEU HBx 1.0 0.0 4.68 1257 1106 A 38 LEU HBx A 76 LEU HD1% 1.0 0.0 4.43 1258 1106 A 76 LEU HD2% A 38 LEU HBx 1.0 0.0 4.43 1259 1107 A 80 TRP HH2 A 38 LEU HBx 1.0 0.0 5.50 1260 1108 A 80 TRP HA A 83 LEU HBx 1.0 0.0 5.09 1261 1109 A 45 LYS HBx A 83 LEU HBx 1.0 0.0 3.99 1262 1110 A 83 LEU HBx A 83 LEU HDx% 1.0 0.0 3.75 1263 1110 A 83 LEU HDy% A 83 LEU HBx 1.0 0.0 3.75 1264 1111 A 45 LYS HA A 83 LEU HBx 1.0 0.0 5.20 1265 1112 A 63 LYS HA A 63 LYS HEx 1.0 0.0 4.43 1266 1112 A 63 LYS HEy A 63 LYS HA 1.0 0.0 4.43 1267 1113 A 63 LYS HEx A 63 LYS HGx 1.0 0.0 3.47 1268 1113 A 63 LYS HEy A 63 LYS HGx 1.0 0.0 3.47 1269 1113 A 63 LYS HGy A 63 LYS HEx 1.0 0.0 3.47 1270 1113 A 63 LYS HEy A 63 LYS HGy 1.0 0.0 3.47 1271 1114 A 23 SER HBy A 63 LYS HEx 1.0 0.0 4.45 1272 1114 A 63 LYS HEy A 23 SER HBy 1.0 0.0 4.45 1273 1115 A 63 LYS HBy A 63 LYS HEx 1.0 0.0 3.89 1274 1115 A 63 LYS HEy A 63 LYS HBy 1.0 0.0 3.89 1275 1116 A 24 ASN HA A 63 LYS HEx 1.0 0.0 5.05 1276 1116 A 24 ASN HA A 63 LYS HEy 1.0 0.0 5.05 1277 1117 A 16 LEU HBy A 17 GLN HA 1.0 0.0 5.50 1278 1118 A 19 ILE HB A 23 SER HA 1.0 0.0 3.95 1279 1119 A 19 ILE HB A 25 ILE HA 1.0 0.0 5.27 1280 1120 A 16 LEU HBx A 17 GLN HA 1.0 0.0 5.44 1281 1121 A 76 LEU HBy A 76 LEU HD1% 1.0 0.0 3.45 1282 1121 A 76 LEU HD2% A 76 LEU HBy 1.0 0.0 3.45 1283 1122 A 20 ASP HBy A 26 ARG HGx 1.0 0.0 4.76 1284 1122 A 20 ASP HBy A 26 ARG HGy 1.0 0.0 4.76 1285 1123 A 20 ASP HBy A 21 PRO HDy 1.0 0.0 4.27 1286 1124 A 20 ASP HBy A 21 PRO HDx 1.0 0.0 4.30 1287 1125 A 20 ASP HBy A 26 ARG HDx 1.0 0.0 5.10 1288 1125 A 26 ARG HDy A 20 ASP HBy 1.0 0.0 5.10 1289 1126 A 24 ASN HBy A 20 ASP HBy 1.0 0.0 5.47 1290 1127 A 20 ASP HBy A 21 PRO HGx 1.0 0.0 5.50 1291 1128 A 20 ASP HBx A 26 ARG HGx 1.0 0.0 4.50 1292 1128 A 20 ASP HBx A 26 ARG HGy 1.0 0.0 4.50 1293 1129 A 15 LEU HBy A 12 ARG HA 1.0 0.0 4.59 1294 1130 A 34 VAL HG1% A 15 LEU HBy 1.0 0.0 5.02 1295 1131 A 15 LEU HBy A 15 LEU HD1% 1.0 0.0 3.93 1296 1131 A 15 LEU HBy A 15 LEU HD2% 1.0 0.0 3.93 1297 1132 A 77 LEU HBy A 77 LEU HD1% 1.0 0.0 4.10 1298 1132 A 77 LEU HD2% A 77 LEU HBy 1.0 0.0 4.10 1299 1133 A 43 ILE HB A 38 LEU HD1% 1.0 0.0 5.50 1300 1133 A 43 ILE HB A 38 LEU HD2% 1.0 0.0 5.50 1301 1134 A 15 LEU HBx A 15 LEU HD1% 1.0 0.0 3.77 1302 1134 A 15 LEU HBx A 15 LEU HD2% 1.0 0.0 3.77 1303 1135 A 48 LEU HBy A 45 LYS HA 1.0 0.0 4.16 1304 1136 A 32 LEU HBy A 33 GLU HGx 1.0 0.0 5.50 1305 1136 A 32 LEU HBy A 33 GLU HGy 1.0 0.0 5.50 1306 1137 A 69 LEU HBy A 69 LEU HD1% 1.0 0.0 3.51 1307 1137 A 69 LEU HBy A 69 LEU HD2% 1.0 0.0 3.51 1308 1138 A 43 ILE HB A 8 PRO HBy 1.0 0.0 4.63 1309 1139 A 59 ASP HBy A 56 LEU HD1% 1.0 0.0 5.33 1310 1139 A 56 LEU HD2% A 59 ASP HBy 1.0 0.0 5.33 1311 1140 A 59 ASP HBx A 60 VAL HA 1.0 0.0 5.50 1312 1141 A 41 TYR HBy A 38 LEU HD1% 1.0 0.0 5.50 1313 1141 A 38 LEU HD2% A 41 TYR HBy 1.0 0.0 5.50 1314 1142 A 41 TYR HBy A 38 LEU HA 1.0 0.0 4.64 1315 1143 A 59 ASP HBx A 56 LEU HA 1.0 0.0 4.40 1316 1144 A 59 ASP HBx A 56 LEU HD1% 1.0 0.0 5.50 1317 1144 A 56 LEU HD2% A 59 ASP HBx 1.0 0.0 5.50 1318 1145 A 13 ASP HBx A 16 LEU HD1% 1.0 0.0 5.50 1319 1145 A 16 LEU HD2% A 13 ASP HBx 1.0 0.0 5.50 1320 1146 A 13 ASP HBx A 10 GLN HA 1.0 0.0 4.27 1321 1147 A 27 ASN HBy A 31 VAL HG1% 1.0 0.0 5.50 1322 1148 A 66 ASN HBy A 69 LEU HA 1.0 0.0 5.44 1323 1149 A 66 ASN HBy A 69 LEU HBy 1.0 0.0 4.09 1324 1150 A 66 ASN HBy A 69 LEU HBx 1.0 0.0 4.23 1325 1151 A 66 ASN HBy A 64 THR HG2% 1.0 0.0 5.19 1326 1152 A 27 ASN HBx A 26 ARG HBy 1.0 0.0 5.50 1327 1153 A 27 ASN HBx A 31 VAL HG1% 1.0 0.0 5.50 1328 1154 A 66 ASN HBx A 69 LEU HBy 1.0 0.0 4.01 1329 1155 A 66 ASN HBx A 69 LEU HBx 1.0 0.0 4.34 1330 1156 A 66 ASN HBx A 64 THR HG2% 1.0 0.0 5.25 1331 1157 A 66 ASN HBx A 69 LEU HD1% 1.0 0.0 4.74 1332 1157 A 66 ASN HBx A 69 LEU HD2% 1.0 0.0 4.74 1333 1158 A 46 GLU HGy A 46 GLU HA 1.0 0.0 3.91 1334 1159 A 11 ILE HB A 53 LEU HD1% 1.0 0.0 4.86 1335 1159 A 53 LEU HD2% A 11 ILE HB 1.0 0.0 4.86 1336 1160 A 39 GLU HGy A 36 SER HA 1.0 0.0 5.02 1337 1161 A 36 SER HBx A 33 GLU HGx 1.0 0.0 5.50 1338 1161 A 33 GLU HGy A 36 SER HBx 1.0 0.0 5.50 1339 1162 A 33 GLU HBy A 33 GLU HGx 1.0 0.0 2.65 1340 1162 A 33 GLU HBy A 33 GLU HGy 1.0 0.0 2.65 1341 1163 A 34 VAL HG1% A 33 GLU HGx 1.0 0.0 5.50 1342 1163 A 34 VAL HG1% A 33 GLU HGy 1.0 0.0 5.50 1343 1164 A 33 GLU HA A 33 GLU HGx 1.0 0.0 3.76 1344 1164 A 33 GLU HGy A 33 GLU HA 1.0 0.0 3.76 1345 1165 A 29 VAL HG2% A 33 GLU HGx 1.0 0.0 4.47 1346 1165 A 33 GLU HGy A 29 VAL HG2% 1.0 0.0 4.47 1347 1166 A 35 ILE HG2% A 39 GLU HGx 1.0 0.0 5.17 1348 1167 A 88 HIS HA A 91 GLU HG2 1.0 0.0 4.20 1349 1167 A 88 HIS HA A 91 GLU HG3 1.0 0.0 4.20 1350 1168 A 68 GLU HA A 68 GLU HG2 1.0 0.0 3.63 1351 1168 A 68 GLU HG3 A 68 GLU HA 1.0 0.0 3.63 1352 1169 A 88 HIS HBx A 91 GLU HG2 1.0 0.0 4.57 1353 1169 A 91 GLU HG3 A 88 HIS HBx 1.0 0.0 4.57 1354 1170 A 91 GLU HBy A 91 GLU HG2 1.0 0.0 2.96 1355 1170 A 91 GLU HBy A 91 GLU HG3 1.0 0.0 2.96 1356 1171 A 68 GLU HG2 A 71 LYS HDx 1.0 0.0 4.72 1357 1171 A 68 GLU HG3 A 71 LYS HDx 1.0 0.0 4.72 1358 1171 A 71 LYS HDy A 68 GLU HG2 1.0 0.0 4.72 1359 1171 A 68 GLU HG3 A 71 LYS HDy 1.0 0.0 4.72 1360 1172 A 35 ILE HB A 33 GLU HA 1.0 0.0 5.13 1361 1173 A 35 ILE HB A 31 VAL HG2% 1.0 0.0 4.79 1362 1174 A 57 ILE HB A 80 TRP HZ3 1.0 0.0 5.20 1363 1175 A 57 ILE HB A 54 GLY HAx 1.0 0.0 5.50 1364 1176 A 57 ILE HB A 77 LEU HG 1.0 0.0 4.15 1365 1177 A 57 ILE HB A 54 GLY HAy 1.0 0.0 5.38 1366 1178 A 9 GLN HA A 9 GLN HGy 1.0 0.0 4.19 1367 1179 A 51 THR HG2% A 9 GLN HGy 1.0 0.0 4.83 1368 1180 A 13 ASP HBy A 10 GLN HGy 1.0 0.0 5.50 1369 1181 A 51 THR HG2% A 9 GLN HGx 1.0 0.0 4.38 1370 1182 A 7 SER HBx A 9 GLN HGx 1.0 0.0 5.08 1371 1183 A 17 GLN HGy A 17 GLN HA 1.0 0.0 3.81 1372 1184 A 17 GLN HGy A 14 ARG HA 1.0 0.0 4.63 1373 1185 A 17 GLN HGy A 16 LEU HD1% 1.0 0.0 5.50 1374 1185 A 17 GLN HGy A 16 LEU HD2% 1.0 0.0 5.50 1375 1186 A 30 ALA HB% A 17 GLN HGy 1.0 0.0 5.50 1376 1187 A 81 GLN HGy A 81 GLN HA 1.0 0.0 3.93 1377 1188 A 17 GLN HGx A 16 LEU HD1% 1.0 0.0 5.50 1378 1188 A 17 GLN HGx A 16 LEU HD2% 1.0 0.0 5.50 1379 1189 A 17 GLN HGx A 14 ARG HA 1.0 0.0 4.82 1380 1190 A 84 ILE HD1% A 81 GLN HGx 1.0 0.0 5.50 1381 1191 A 64 THR HA A 63 LYS HBy 1.0 0.0 4.65 1382 1192 A 60 VAL HA A 63 LYS HBy 1.0 0.0 4.91 1383 1193 A 63 LYS HDx A 63 LYS HBy 1.0 0.0 4.05 1384 1194 A 64 THR HA A 63 LYS HBx 1.0 0.0 5.22 1385 1195 A 63 LYS HBx A 63 LYS HEx 1.0 0.0 4.84 1386 1195 A 63 LYS HEy A 63 LYS HBx 1.0 0.0 4.84 1387 1196 A 63 LYS HBx A 63 LYS HDy 1.0 0.0 3.93 1388 1197 A 63 LYS HDx A 63 LYS HBx 1.0 0.0 3.99 1389 1198 A 61 ARG HBy A 62 LYS HBx 1.0 0.0 5.29 1390 1198 A 61 ARG HBy A 62 LYS HBy 1.0 0.0 5.29 1391 1199 A 71 LYS HBx A 71 LYS HDx 1.0 0.0 3.10 1392 1199 A 71 LYS HDy A 71 LYS HBx 1.0 0.0 3.10 1393 1200 A 60 VAL HB A 77 LEU HD1% 1.0 0.0 5.50 1394 1200 A 77 LEU HD2% A 60 VAL HB 1.0 0.0 5.50 1395 1201 A 66 ASN HBy A 65 LYS HBy 1.0 0.0 5.21 1396 1202 A 71 LYS HBy A 71 LYS HDx 1.0 0.0 3.68 1397 1202 A 71 LYS HDy A 71 LYS HBy 1.0 0.0 3.68 1398 1203 A 45 LYS HBy A 83 LEU HDx% 1.0 0.0 4.65 1399 1203 A 45 LYS HBy A 83 LEU HDy% 1.0 0.0 4.65 1400 1204 A 82 LYS HBx A 82 LYS HEx 1.0 0.0 4.94 1401 1204 A 82 LYS HBx A 82 LYS HEy 1.0 0.0 4.94 1402 1205 A 85 GLU HA A 86 PRO HBx 1.0 0.0 4.82 1403 1206 A 76 LEU HA A 75 LYS HBx 1.0 0.0 5.35 1404 1206 A 76 LEU HA A 75 LYS HBy 1.0 0.0 5.35 1405 1207 A 75 LYS HBy A 76 LEU HD1% 1.0 0.0 5.50 1406 1207 A 75 LYS HBx A 76 LEU HD1% 1.0 0.0 5.50 1407 1207 A 76 LEU HD2% A 75 LYS HBx 1.0 0.0 5.50 1408 1207 A 76 LEU HD2% A 75 LYS HBy 1.0 0.0 5.50 1409 1208 A 45 LYS HBx A 82 LYS HEx 1.0 0.0 5.00 1410 1208 A 45 LYS HBx A 82 LYS HEy 1.0 0.0 5.00 1411 1209 A 45 LYS HBx A 83 LEU HDx% 1.0 0.0 5.17 1412 1209 A 45 LYS HBx A 83 LEU HDy% 1.0 0.0 5.17 1413 1210 A 32 LEU HD1% A 28 MET HGx 1.0 0.0 4.31 1414 1211 A 29 VAL HA A 28 MET HGx 1.0 0.0 5.50 1415 1212 A 72 ARG HBy A 69 LEU HA 1.0 0.0 4.95 1416 1213 A 11 ILE HD1% A 5 PRO HB3 1.0 0.0 5.50 1417 1214 A 5 PRO HB3 A 4 ALA HA 1.0 0.0 5.45 1418 1215 A 19 ILE HA A 26 ARG HBx 1.0 0.0 5.27 1419 1216 A 88 HIS HBy A 82 LYS HBy 1.0 0.0 5.21 1420 1217 A 34 VAL HB A 33 GLU HBy 1.0 0.0 5.50 1421 1218 A 34 VAL HB A 15 LEU HA 1.0 0.0 5.50 1422 1219 A 88 HIS HBy A 91 GLU HG2 1.0 0.0 5.13 1423 1219 A 88 HIS HBy A 91 GLU HG3 1.0 0.0 5.13 1424 1220 A 39 GLU HBy A 40 LYS HGy 1.0 0.0 5.50 1425 1221 A 39 GLU HBy A 76 LEU HD1% 1.0 0.0 5.50 1426 1221 A 76 LEU HD2% A 39 GLU HBy 1.0 0.0 5.50 1427 1222 A 50 GLU HBy A 47 ALA HB% 1.0 0.0 5.50 1428 1223 A 50 GLU HBy A 51 THR HG2% 1.0 0.0 5.19 1429 1224 A 42 PRO HBy A 41 TYR HA 1.0 0.0 5.50 1430 1225 A 42 PRO HBx A 38 LEU HD1% 1.0 0.0 5.50 1431 1225 A 42 PRO HBx A 38 LEU HD2% 1.0 0.0 5.50 1432 1226 A 92 ALA HA A 91 GLU HBy 1.0 0.0 5.33 1433 1227 A 39 GLU HBx A 36 SER HA 1.0 0.0 4.26 1434 1228 A 39 GLU HBx A 40 LYS HA 1.0 0.0 4.52 1435 1229 A 39 GLU HBx A 76 LEU HD1% 1.0 0.0 5.22 1436 1229 A 76 LEU HD2% A 39 GLU HBx 1.0 0.0 5.22 1437 1230 A 61 ARG HBy A 60 VAL HG2% 1.0 0.0 5.50 1438 1231 A 61 ARG HBy A 77 LEU HD1% 1.0 0.0 5.06 1439 1231 A 61 ARG HBy A 77 LEU HD2% 1.0 0.0 5.06 1440 1232 A 67 GLU HBy A 68 GLU HG2 1.0 0.0 3.12 1441 1232 A 67 GLU HBx A 68 GLU HG2 1.0 0.0 3.12 1442 1232 A 68 GLU HG3 A 67 GLU HBx 1.0 0.0 3.12 1443 1232 A 67 GLU HBy A 68 GLU HG3 1.0 0.0 3.12 1444 1233 A 81 GLN HGy A 78 ARG HB2 1.0 0.0 5.50 1445 1233 A 78 ARG HB3 A 81 GLN HGy 1.0 0.0 5.50 1446 1234 A 75 LYS HDx A 78 ARG HB2 1.0 0.0 4.64 1447 1234 A 75 LYS HDy A 78 ARG HB2 1.0 0.0 4.64 1448 1234 A 78 ARG HB3 A 75 LYS HDx 1.0 0.0 4.64 1449 1234 A 78 ARG HB3 A 75 LYS HDy 1.0 0.0 4.64 1450 1235 A 34 VAL HG2% A 14 ARG HBx 1.0 0.0 5.24 1451 1235 A 34 VAL HG2% A 14 ARG HBy 1.0 0.0 5.24 1452 1236 A 61 ARG HBx A 77 LEU HD1% 1.0 0.0 5.50 1453 1236 A 61 ARG HBx A 77 LEU HD2% 1.0 0.0 5.50 1454 1237 A 80 TRP HBy A 83 LEU HDx% 1.0 0.0 5.29 1455 1237 A 80 TRP HBy A 83 LEU HDy% 1.0 0.0 5.29 1456 1238 A 80 TRP HBy A 45 LYS HA 1.0 0.0 4.78 1457 1239 A 66 ASN HBy A 68 GLU HB2 1.0 0.0 5.31 1458 1239 A 66 ASN HBy A 68 GLU HB3 1.0 0.0 5.31 1459 1240 A 68 GLU HB3 A 69 LEU HD1% 1.0 0.0 5.50 1460 1240 A 68 GLU HB2 A 69 LEU HD1% 1.0 0.0 5.50 1461 1240 A 69 LEU HD2% A 68 GLU HB2 1.0 0.0 5.50 1462 1240 A 69 LEU HD2% A 68 GLU HB3 1.0 0.0 5.50 1463 1241 A 82 LYS HA A 82 LYS HDx 1.0 0.0 4.32 1464 1241 A 82 LYS HDy A 82 LYS HA 1.0 0.0 4.32 1465 1242 A 82 LYS HBx A 82 LYS HDx 1.0 0.0 3.43 1466 1242 A 82 LYS HDy A 82 LYS HBx 1.0 0.0 3.43 1467 1243 A 82 LYS HDx A 82 LYS HGx 1.0 0.0 2.89 1468 1243 A 82 LYS HDy A 82 LYS HGx 1.0 0.0 2.89 1469 1243 A 82 LYS HGy A 82 LYS HDx 1.0 0.0 2.89 1470 1243 A 82 LYS HDy A 82 LYS HGy 1.0 0.0 2.89 1471 1244 A 83 LEU HA A 82 LYS HDx 1.0 0.0 5.19 1472 1244 A 83 LEU HA A 82 LYS HDy 1.0 0.0 5.19 1473 1245 A 82 LYS HDx A 83 LEU HDx% 1.0 0.0 4.67 1474 1245 A 82 LYS HDy A 83 LEU HDx% 1.0 0.0 4.67 1475 1245 A 83 LEU HDy% A 82 LYS HDx 1.0 0.0 4.67 1476 1245 A 82 LYS HDy A 83 LEU HDy% 1.0 0.0 4.67 1477 1246 A 80 TRP HE3 A 57 ILE HG1y 1.0 0.0 4.55 1478 1247 A 57 ILE HG1x A 81 GLN HE21 1.0 0.0 5.32 1479 1248 A 10 GLN HBx A 11 ILE HA 1.0 0.0 5.50 1480 1249 A 57 ILE HG1y A 81 GLN HE21 1.0 0.0 5.34 1481 1250 A 63 LYS HBy A 63 LYS HDy 1.0 0.0 3.78 1482 1251 A 32 LEU HA A 35 ILE HG1x 1.0 0.0 4.73 1483 1252 A 31 VAL HG2% A 35 ILE HG1x 1.0 0.0 4.41 1484 1253 A 43 ILE HG1x A 38 LEU HD1% 1.0 0.0 5.50 1485 1253 A 38 LEU HD2% A 43 ILE HG1x 1.0 0.0 5.50 1486 1254 A 9 GLN HA A 12 ARG HBy 1.0 0.0 4.39 1487 1255 A 51 THR HG2% A 12 ARG HBy 1.0 0.0 5.36 1488 1256 A 10 GLN HA A 9 GLN HBx 1.0 0.0 5.50 1489 1257 A 41 TYR HA A 42 PRO HGx 1.0 0.0 4.79 1490 1258 A 78 ARG HA A 78 ARG HGy 1.0 0.0 4.09 1491 1259 A 78 ARG HGx A 78 ARG HA 1.0 0.0 4.09 1492 1260 A 51 THR HG2% A 52 ARG HBx 1.0 0.0 5.50 1493 1261 A 75 LYS HA A 78 ARG HGy 1.0 0.0 4.63 1494 1262 A 43 ILE HD1% A 48 LEU HG 1.0 0.0 5.00 1495 1263 A 45 LYS HA A 48 LEU HG 1.0 0.0 5.46 1496 1264 A 53 LEU HA A 56 LEU HD1% 1.0 0.0 4.44 1497 1264 A 53 LEU HA A 56 LEU HD2% 1.0 0.0 4.44 1498 1265 A 56 LEU HBy A 56 LEU HD1% 1.0 0.0 2.80 1499 1265 A 56 LEU HD2% A 56 LEU HBy 1.0 0.0 2.80 1500 1266 A 56 LEU HBx A 56 LEU HD1% 1.0 0.0 3.27 1501 1266 A 56 LEU HD2% A 56 LEU HBx 1.0 0.0 3.27 1502 1267 A 19 ILE HD1% A 16 LEU HD1% 1.0 0.0 4.85 1503 1267 A 19 ILE HD1% A 16 LEU HD2% 1.0 0.0 4.85 1504 1268 A 13 ASP HA A 16 LEU HD1% 1.0 0.0 3.93 1505 1268 A 16 LEU HD2% A 13 ASP HA 1.0 0.0 3.93 1506 1269 A 56 LEU HA A 56 LEU HD1% 1.0 0.0 4.76 1507 1269 A 56 LEU HD2% A 56 LEU HA 1.0 0.0 4.76 1508 1270 A 15 LEU HBy A 16 LEU HD1% 1.0 0.0 4.52 1509 1270 A 16 LEU HD2% A 15 LEU HBy 1.0 0.0 4.52 1510 1271 A 16 LEU HBy A 16 LEU HD1% 1.0 0.0 3.38 1511 1271 A 16 LEU HBy A 16 LEU HD2% 1.0 0.0 3.38 1512 1272 A 16 LEU HBx A 16 LEU HD1% 1.0 0.0 3.50 1513 1272 A 16 LEU HD2% A 16 LEU HBx 1.0 0.0 3.50 1514 1273 A 64 THR HA A 69 LEU HD1% 1.0 0.0 4.31 1515 1273 A 69 LEU HD2% A 64 THR HA 1.0 0.0 4.31 1516 1274 A 80 TRP HA A 83 LEU HDx% 1.0 0.0 4.42 1517 1274 A 80 TRP HA A 83 LEU HDy% 1.0 0.0 4.42 1518 1275 A 66 ASN HBy A 69 LEU HD1% 1.0 0.0 4.48 1519 1275 A 66 ASN HBy A 69 LEU HD2% 1.0 0.0 4.48 1520 1276 A 69 LEU HBx A 69 LEU HD1% 1.0 0.0 3.38 1521 1276 A 69 LEU HD2% A 69 LEU HBx 1.0 0.0 3.38 1522 1277 A 35 ILE HD1% A 32 LEU HD1% 1.0 0.0 3.93 1523 1278 A 32 LEU HD1% A 29 VAL HA 1.0 0.0 4.06 1524 1279 A 28 MET HGy A 32 LEU HD1% 1.0 0.0 4.48 1525 1280 A 82 LYS HEx A 82 LYS HGx 1.0 0.0 3.89 1526 1280 A 82 LYS HEy A 82 LYS HGx 1.0 0.0 3.89 1527 1280 A 82 LYS HGy A 82 LYS HEx 1.0 0.0 3.89 1528 1280 A 82 LYS HGy A 82 LYS HEy 1.0 0.0 3.89 1529 1281 A 74 LYS HA A 74 LYS HGy 1.0 0.0 4.23 1530 1281 A 74 LYS HA A 74 LYS HGx 1.0 0.0 4.23 1531 1282 A 71 LYS HDx A 71 LYS HGx 1.0 0.0 2.81 1532 1282 A 71 LYS HDy A 71 LYS HGx 1.0 0.0 2.81 1533 1282 A 71 LYS HGy A 71 LYS HDx 1.0 0.0 2.81 1534 1282 A 71 LYS HDy A 71 LYS HGy 1.0 0.0 2.81 1535 1283 A 63 LYS HDx A 63 LYS HGx 1.0 0.0 2.83 1536 1283 A 63 LYS HDx A 63 LYS HGy 1.0 0.0 2.83 1537 1284 A 75 LYS HA A 75 LYS HGx 1.0 0.0 4.12 1538 1284 A 75 LYS HA A 75 LYS HGy 1.0 0.0 4.12 1539 1285 A 76 LEU HA A 75 LYS HGx 1.0 0.0 5.50 1540 1285 A 76 LEU HA A 75 LYS HGy 1.0 0.0 5.50 1541 1286 A 31 VAL HG1% A 18 ALA HA 1.0 0.0 4.61 1542 1287 A 31 VAL HG1% A 28 MET HA 1.0 0.0 4.07 1543 1288 A 15 LEU HA A 31 VAL HG1% 1.0 0.0 4.84 1544 1289 A 31 VAL HG1% A 25 ILE HA 1.0 0.0 4.62 1545 1290 A 31 VAL HA A 31 VAL HG1% 1.0 0.0 3.38 1546 1291 A 31 VAL HG1% A 28 MET HGx 1.0 0.0 4.79 1547 1292 A 18 ALA HB% A 31 VAL HG1% 1.0 0.0 3.43 1548 1293 A 30 ALA HB% A 31 VAL HG1% 1.0 0.0 4.43 1549 1294 A 38 LEU HBy A 76 LEU HD1% 1.0 0.0 4.20 1550 1294 A 76 LEU HD2% A 38 LEU HBy 1.0 0.0 4.20 1551 1295 A 76 LEU HBx A 76 LEU HD1% 1.0 0.0 3.55 1552 1295 A 76 LEU HD2% A 76 LEU HBx 1.0 0.0 3.55 1553 1296 A 39 GLU HGy A 76 LEU HD1% 1.0 0.0 5.06 1554 1296 A 76 LEU HD2% A 39 GLU HGy 1.0 0.0 5.06 1555 1297 A 80 TRP HZ2 A 76 LEU HD1% 1.0 0.0 4.33 1556 1297 A 76 LEU HD2% A 80 TRP HZ2 1.0 0.0 4.33 1557 1298 A 80 TRP HD1 A 76 LEU HD1% 1.0 0.0 5.50 1558 1298 A 76 LEU HD2% A 80 TRP HD1 1.0 0.0 5.50 1559 1299 A 80 TRP HH2 A 76 LEU HD1% 1.0 0.0 4.80 1560 1299 A 76 LEU HD2% A 80 TRP HH2 1.0 0.0 4.80 1561 1300 A 38 LEU HA A 76 LEU HD1% 1.0 0.0 5.19 1562 1300 A 76 LEU HD2% A 38 LEU HA 1.0 0.0 5.19 1563 1301 A 38 LEU HD1% A 76 LEU HD1% 1.0 0.0 4.29 1564 1301 A 76 LEU HD2% A 38 LEU HD1% 1.0 0.0 4.29 1565 1301 A 38 LEU HD2% A 76 LEU HD2% 1.0 0.0 4.29 1566 1301 A 38 LEU HD2% A 76 LEU HD1% 1.0 0.0 4.29 1567 1302 A 64 THR HB A 60 VAL HG1% 1.0 0.0 4.64 1568 1303 A 60 VAL HG1% A 60 VAL HA 1.0 0.0 3.31 1569 1304 A 59 ASP HBx A 60 VAL HG1% 1.0 0.0 5.40 1570 1305 A 60 VAL HG1% A 77 LEU HBx 1.0 0.0 4.74 1571 1306 A 60 VAL HG1% A 77 LEU HD1% 1.0 0.0 3.72 1572 1306 A 60 VAL HG1% A 77 LEU HD2% 1.0 0.0 3.72 1573 1307 A 53 LEU HA A 53 LEU HD1% 1.0 0.0 3.29 1574 1307 A 53 LEU HA A 53 LEU HD2% 1.0 0.0 3.29 1575 1308 A 12 ARG HDx A 53 LEU HD1% 1.0 0.0 5.11 1576 1308 A 53 LEU HD2% A 12 ARG HDx 1.0 0.0 5.11 1577 1309 A 12 ARG HBy A 53 LEU HD1% 1.0 0.0 3.97 1578 1309 A 53 LEU HD2% A 12 ARG HBy 1.0 0.0 3.97 1579 1310 A 56 LEU HBy A 53 LEU HD1% 1.0 0.0 4.42 1580 1310 A 53 LEU HD2% A 56 LEU HBy 1.0 0.0 4.42 1581 1311 A 43 ILE HG1y A 53 LEU HD1% 1.0 0.0 3.55 1582 1311 A 53 LEU HD2% A 43 ILE HG1y 1.0 0.0 3.55 1583 1312 A 53 LEU HBx A 53 LEU HD1% 1.0 0.0 3.78 1584 1312 A 53 LEU HD2% A 53 LEU HBx 1.0 0.0 3.78 1585 1313 A 75 LYS HBx A 77 LEU HD1% 1.0 0.0 5.50 1586 1313 A 77 LEU HD2% A 75 LYS HBx 1.0 0.0 5.50 1587 1313 A 75 LYS HBy A 77 LEU HD2% 1.0 0.0 5.50 1588 1313 A 75 LYS HBy A 77 LEU HD1% 1.0 0.0 5.50 1589 1314 A 34 VAL HG1% A 34 VAL HA 1.0 0.0 3.33 1590 1315 A 31 VAL HA A 34 VAL HG1% 1.0 0.0 3.92 1591 1316 A 33 GLU HBy A 34 VAL HG1% 1.0 0.0 4.32 1592 1317 A 34 VAL HG1% A 15 LEU HBx 1.0 0.0 3.80 1593 1318 A 34 VAL HG1% A 15 LEU HA 1.0 0.0 3.64 1594 1319 A 34 VAL HG1% A 17 GLN HE21 1.0 0.0 4.53 1595 1320 A 33 GLU HBx A 34 VAL HG1% 1.0 0.0 4.45 1596 1321 A 34 VAL HG1% A 18 ALA HB% 1.0 0.0 4.41 1597 1322 A 34 VAL HG1% A 35 ILE HD1% 1.0 0.0 4.74 1598 1323 A 28 MET HGy A 32 LEU HD2% 1.0 0.0 5.50 1599 1324 A 29 VAL HA A 32 LEU HD2% 1.0 0.0 5.27 1600 1325 A 28 MET HGx A 32 LEU HD2% 1.0 0.0 5.48 1601 1326 A 32 LEU HD2% A 28 MET HBx 1.0 0.0 5.11 1602 1326 A 28 MET HBy A 32 LEU HD2% 1.0 0.0 5.11 1603 1327 A 32 LEU HBy A 32 LEU HD2% 1.0 0.0 3.76 1604 1328 A 32 LEU HBx A 32 LEU HD2% 1.0 0.0 3.61 1605 1329 A 29 VAL HG1% A 29 VAL HA 1.0 0.0 3.11 1606 1330 A 18 ALA HB% A 29 VAL HG1% 1.0 0.0 5.50 1607 1331 A 29 VAL HG1% A 28 MET HA 1.0 0.0 5.50 1608 1332 A 18 ALA HB% A 30 ALA HA 1.0 0.0 5.50 1609 1333 A 15 LEU HA A 18 ALA HB% 1.0 0.0 4.06 1610 1334 A 31 VAL HA A 18 ALA HB% 1.0 0.0 4.88 1611 1335 A 27 ASN HBy A 18 ALA HB% 1.0 0.0 3.89 1612 1336 A 27 ASN HBx A 18 ALA HB% 1.0 0.0 4.14 1613 1337 A 31 VAL HB A 18 ALA HB% 1.0 0.0 4.62 1614 1338 A 18 ALA HB% A 17 GLN HBx 1.0 0.0 5.50 1615 1339 A 30 ALA HB% A 18 ALA HB% 1.0 0.0 3.49 1616 1340 A 19 ILE HG2% A 18 ALA HB% 1.0 0.0 4.39 1617 1341 A 46 GLU HBy A 44 THR HG2% 1.0 0.0 5.08 1618 1342 A 44 THR HA A 44 THR HG2% 1.0 0.0 3.19 1619 1343 A 44 THR HG2% A 83 LEU HDx% 1.0 0.0 4.85 1620 1343 A 44 THR HG2% A 83 LEU HDy% 1.0 0.0 4.85 1621 1344 A 28 MET HA A 31 VAL HG2% 1.0 0.0 4.57 1622 1345 A 31 VAL HA A 31 VAL HG2% 1.0 0.0 3.55 1623 1346 A 34 VAL HB A 31 VAL HG2% 1.0 0.0 4.78 1624 1347 A 18 ALA HB% A 31 VAL HG2% 1.0 0.0 5.11 1625 1348 A 35 ILE HG1y A 31 VAL HG2% 1.0 0.0 4.51 1626 1349 A 51 THR HG2% A 9 GLN HA 1.0 0.0 3.86 1627 1350 A 51 THR HG2% A 12 ARG HDy 1.0 0.0 4.85 1628 1351 A 12 ARG HDx A 51 THR HG2% 1.0 0.0 4.79 1629 1352 A 51 THR HG2% A 9 GLN HBy 1.0 0.0 5.41 1630 1353 A 51 THR HG2% A 9 GLN HBx 1.0 0.0 3.98 1631 1354 A 47 ALA HB% A 51 THR HG2% 1.0 0.0 4.20 1632 1355 A 51 THR HG2% A 53 LEU HD1% 1.0 0.0 4.30 1633 1355 A 53 LEU HD2% A 51 THR HG2% 1.0 0.0 4.30 1634 1356 A 34 VAL HG2% A 15 LEU HA 1.0 0.0 4.60 1635 1357 A 34 VAL HG2% A 15 LEU HBx 1.0 0.0 3.84 1636 1358 A 34 VAL HG2% A 35 ILE HD1% 1.0 0.0 4.63 1637 1359 A 29 VAL HG2% A 29 VAL HA 1.0 0.0 3.28 1638 1360 A 32 LEU HBy A 29 VAL HG2% 1.0 0.0 4.85 1639 1361 A 29 VAL HG2% A 30 ALA HA 1.0 0.0 4.14 1640 1362 A 30 ALA HB% A 29 VAL HG2% 1.0 0.0 4.60 1641 1363 A 73 ALA HB% A 60 VAL HG2% 1.0 0.0 4.47 1642 1364 A 30 ALA HB% A 33 GLU HGx 1.0 0.0 5.50 1643 1364 A 30 ALA HB% A 33 GLU HGy 1.0 0.0 5.50 1644 1365 A 30 ALA HB% A 18 ALA HA 1.0 0.0 4.70 1645 1366 A 27 ASN HBy A 30 ALA HB% 1.0 0.0 4.11 1646 1367 A 27 ASN HBx A 30 ALA HB% 1.0 0.0 4.32 1647 1368 A 30 ALA HB% A 29 VAL HG1% 1.0 0.0 4.56 1648 1369 A 30 ALA HB% A 31 VAL HA 1.0 0.0 5.40 1649 1370 A 64 THR HG2% A 67 GLU HA 1.0 0.0 4.61 1650 1371 A 64 THR HG2% A 64 THR HA 1.0 0.0 3.79 1651 1372 A 70 ALA HA A 64 THR HG2% 1.0 0.0 3.88 1652 1373 A 69 LEU HBy A 64 THR HG2% 1.0 0.0 4.57 1653 1374 A 70 ALA HB% A 64 THR HG2% 1.0 0.0 3.41 1654 1375 A 64 THR HG2% A 69 LEU HD1% 1.0 0.0 3.57 1655 1375 A 64 THR HG2% A 69 LEU HD2% 1.0 0.0 3.57 1656 1376 A 37 SER HBx A 11 ILE HG2% 1.0 0.0 4.48 1657 1377 A 47 ALA HB% A 51 THR HB 1.0 0.0 5.44 1658 1378 A 47 ALA HB% A 8 PRO HBy 1.0 0.0 4.56 1659 1379 A 43 ILE HG2% A 47 ALA HB% 1.0 0.0 4.70 1660 1380 A 48 LEU HA A 47 ALA HB% 1.0 0.0 5.13 1661 1381 A 87 ALA HB% A 82 LYS HA 1.0 0.0 3.40 1662 1382 A 11 ILE HA A 38 LEU HD1% 1.0 0.0 5.50 1663 1382 A 38 LEU HD2% A 11 ILE HA 1.0 0.0 5.50 1664 1383 A 70 ALA HB% A 69 LEU HD1% 1.0 0.0 5.12 1665 1383 A 70 ALA HB% A 69 LEU HD2% 1.0 0.0 5.12 1666 1384 A 4 ALA HB% A 3 ALA HA 1.0 0.0 4.95 1667 1385 A 5 PRO HDx A 4 ALA HB% 1.0 0.0 3.64 1668 1386 A 83 LEU HA A 84 ILE HG2% 1.0 0.0 5.20 1669 1387 A 84 ILE HG2% A 85 GLU HG2 1.0 0.0 5.40 1670 1387 A 85 GLU HG3 A 84 ILE HG2% 1.0 0.0 5.40 1671 1388 A 84 ILE HG1y A 84 ILE HG2% 1.0 0.0 4.20 1672 1389 A 84 ILE HG2% A 84 ILE HG1x 1.0 0.0 4.10 1673 1390 A 70 ALA HB% A 67 GLU HA 1.0 0.0 3.36 1674 1391 A 70 ALA HB% A 67 GLU HBx 1.0 0.0 5.23 1675 1391 A 67 GLU HBy A 70 ALA HB% 1.0 0.0 5.23 1676 1392 A 72 ARG HBx A 73 ALA HB% 1.0 0.0 4.16 1677 1393 A 73 ALA HB% A 69 LEU HD1% 1.0 0.0 4.47 1678 1393 A 69 LEU HD2% A 73 ALA HB% 1.0 0.0 4.47 1679 1394 A 73 ALA HB% A 77 LEU HD1% 1.0 0.0 3.89 1680 1394 A 73 ALA HB% A 77 LEU HD2% 1.0 0.0 3.89 1681 1395 A 25 ILE HG2% A 26 ARG HA 1.0 0.0 4.79 1682 1396 A 25 ILE HG2% A 28 MET HA 1.0 0.0 3.50 1683 1397 A 25 ILE HG2% A 25 ILE HA 1.0 0.0 3.90 1684 1398 A 25 ILE HG2% A 28 MET HBx 1.0 0.0 3.62 1685 1398 A 25 ILE HG2% A 28 MET HBy 1.0 0.0 3.62 1686 1399 A 25 ILE HG2% A 31 VAL HG1% 1.0 0.0 3.84 1687 1400 A 25 ILE HG2% A 63 LYS HGx 1.0 0.0 5.50 1688 1400 A 25 ILE HG2% A 63 LYS HGy 1.0 0.0 5.50 1689 1401 A 57 ILE HG2% A 81 GLN HE21 1.0 0.0 5.50 1690 1402 A 57 ILE HG2% A 80 TRP HZ3 1.0 0.0 5.50 1691 1403 A 58 ASN HA A 57 ILE HG2% 1.0 0.0 4.93 1692 1404 A 57 ILE HG2% A 57 ILE HA 1.0 0.0 3.85 1693 1405 A 57 ILE HG2% A 57 ILE HG1y 1.0 0.0 3.81 1694 1406 A 57 ILE HG2% A 77 LEU HG 1.0 0.0 4.05 1695 1407 A 57 ILE HG2% A 54 GLY HAy 1.0 0.0 5.50 1696 1408 A 19 ILE HA A 19 ILE HG2% 1.0 0.0 3.47 1697 1409 A 19 ILE HG2% A 18 ALA HA 1.0 0.0 5.50 1698 1410 A 19 ILE HG2% A 15 LEU HA 1.0 0.0 4.73 1699 1411 A 19 ILE HG2% A 25 ILE HA 1.0 0.0 3.48 1700 1412 A 19 ILE HG2% A 23 SER HA 1.0 0.0 4.15 1701 1413 A 31 VAL HB A 19 ILE HG2% 1.0 0.0 5.43 1702 1414 A 19 ILE HG2% A 15 LEU HBx 1.0 0.0 4.83 1703 1415 A 19 ILE HG2% A 31 VAL HG1% 1.0 0.0 3.91 1704 1416 A 19 ILE HG2% A 15 LEU HD1% 1.0 0.0 3.52 1705 1416 A 19 ILE HG2% A 15 LEU HD2% 1.0 0.0 3.52 1706 1417 A 19 ILE HD1% A 19 ILE HG2% 1.0 0.0 3.45 1707 1418 A 19 ILE HG2% A 31 VAL HA 1.0 0.0 5.50 1708 1419 A 34 VAL HG2% A 35 ILE HG2% 1.0 0.0 5.32 1709 1420 A 36 SER HA A 35 ILE HG2% 1.0 0.0 4.78 1710 1421 A 35 ILE HG2% A 36 SER HBx 1.0 0.0 4.43 1711 1422 A 35 ILE HA A 35 ILE HG2% 1.0 0.0 3.78 1712 1423 A 39 GLU HGy A 35 ILE HG2% 1.0 0.0 4.58 1713 1424 A 35 ILE HG1y A 35 ILE HG2% 1.0 0.0 4.24 1714 1425 A 35 ILE HG2% A 35 ILE HG1x 1.0 0.0 4.03 1715 1426 A 43 ILE HG2% A 80 TRP HZ2 1.0 0.0 4.95 1716 1427 A 43 ILE HG2% A 80 TRP HD1 1.0 0.0 5.50 1717 1428 A 43 ILE HA A 43 ILE HG2% 1.0 0.0 3.90 1718 1429 A 43 ILE HG2% A 48 LEU HA 1.0 0.0 5.50 1719 1430 A 43 ILE HG2% A 8 PRO HBx 1.0 0.0 4.58 1720 1431 A 43 ILE HG2% A 48 LEU HBy 1.0 0.0 5.02 1721 1432 A 43 ILE HG2% A 43 ILE HG1y 1.0 0.0 3.93 1722 1433 A 43 ILE HG2% A 43 ILE HG1x 1.0 0.0 3.90 1723 1434 A 43 ILE HG2% A 48 LEU HG 1.0 0.0 4.35 1724 1435 A 43 ILE HG2% A 38 LEU HD1% 1.0 0.0 4.49 1725 1435 A 38 LEU HD2% A 43 ILE HG2% 1.0 0.0 4.49 1726 1436 A 25 ILE HD1% A 28 MET HA 1.0 0.0 3.80 1727 1437 A 25 ILE HD1% A 28 MET HGx 1.0 0.0 5.50 1728 1438 A 31 VAL HB A 25 ILE HD1% 1.0 0.0 4.50 1729 1439 A 25 ILE HB A 25 ILE HD1% 1.0 0.0 3.54 1730 1440 A 25 ILE HD1% A 64 THR HG2% 1.0 0.0 5.34 1731 1441 A 25 ILE HD1% A 31 VAL HG1% 1.0 0.0 4.00 1732 1442 A 19 ILE HD1% A 25 ILE HA 1.0 0.0 5.45 1733 1443 A 19 ILE HD1% A 23 SER HA 1.0 0.0 4.00 1734 1444 A 19 ILE HD1% A 15 LEU HA 1.0 0.0 4.42 1735 1445 A 19 ILE HD1% A 15 LEU HBy 1.0 0.0 5.21 1736 1446 A 19 ILE HD1% A 19 ILE HB 1.0 0.0 3.88 1737 1447 A 19 ILE HD1% A 15 LEU HBx 1.0 0.0 4.38 1738 1448 A 19 ILE HD1% A 15 LEU HD1% 1.0 0.0 3.69 1739 1448 A 19 ILE HD1% A 15 LEU HD2% 1.0 0.0 3.69 1740 1449 A 43 ILE HD1% A 80 TRP HH2 1.0 0.0 5.44 1741 1450 A 80 TRP HZ2 A 43 ILE HD1% 1.0 0.0 4.73 1742 1451 A 43 ILE HA A 43 ILE HD1% 1.0 0.0 3.97 1743 1452 A 43 ILE HD1% A 38 LEU HA 1.0 0.0 5.50 1744 1453 A 43 ILE HD1% A 8 PRO HA 1.0 0.0 4.88 1745 1454 A 43 ILE HD1% A 8 PRO HBy 1.0 0.0 4.17 1746 1455 A 43 ILE HD1% A 8 PRO HBx 1.0 0.0 4.17 1747 1456 A 43 ILE HB A 43 ILE HD1% 1.0 0.0 3.56 1748 1457 A 43 ILE HD1% A 38 LEU HD1% 1.0 0.0 3.97 1749 1457 A 38 LEU HD2% A 43 ILE HD1% 1.0 0.0 3.97 1750 1458 A 43 ILE HD1% A 53 LEU HD1% 1.0 0.0 3.81 1751 1458 A 53 LEU HD2% A 43 ILE HD1% 1.0 0.0 3.81 1752 1459 A 43 ILE HG2% A 43 ILE HD1% 1.0 0.0 3.59 1753 1460 A 84 ILE HA A 84 ILE HD1% 1.0 0.0 4.32 1754 1461 A 84 ILE HB A 84 ILE HD1% 1.0 0.0 3.71 1755 1462 A 8 PRO HA A 11 ILE HD1% 1.0 0.0 3.80 1756 1463 A 11 ILE HD1% A 11 ILE HA 1.0 0.0 4.27 1757 1464 A 41 TYR HBy A 11 ILE HD1% 1.0 0.0 5.50 1758 1465 A 41 TYR HBx A 11 ILE HD1% 1.0 0.0 5.50 1759 1466 A 11 ILE HD1% A 5 PRO HB2 1.0 0.0 4.47 1760 1467 A 11 ILE HD1% A 11 ILE HB 1.0 0.0 3.70 1761 1468 A 11 ILE HD1% A 38 LEU HD1% 1.0 0.0 3.55 1762 1468 A 38 LEU HD2% A 11 ILE HD1% 1.0 0.0 3.55 1763 1469 A 11 ILE HD1% A 11 ILE HG2% 1.0 0.0 3.47 1764 1470 A 57 ILE HD1% A 81 GLN HE21 1.0 0.0 4.51 1765 1471 A 57 ILE HD1% A 80 TRP HZ3 1.0 0.0 4.93 1766 1472 A 57 ILE HD1% A 54 GLY HAx 1.0 0.0 5.01 1767 1473 A 32 LEU HA A 35 ILE HD1% 1.0 0.0 4.82 1768 1474 A 35 ILE HD1% A 35 ILE HA 1.0 0.0 3.64 1769 1475 A 35 ILE HB A 35 ILE HD1% 1.0 0.0 3.85 1770 1476 A 35 ILE HD1% A 18 ALA HB% 1.0 0.0 5.50 1771 1477 A 35 ILE HD1% A 38 LEU HD1% 1.0 0.0 4.39 1772 1477 A 38 LEU HD2% A 35 ILE HD1% 1.0 0.0 4.39 1773 1478 A 35 ILE HD1% A 31 VAL HG2% 1.0 0.0 3.35 1774 1479 A 35 ILE HD1% A 35 ILE HG2% 1.0 0.0 3.08 1775 1480 A 34 VAL HB A 35 ILE HD1% 1.0 0.0 5.50 1776 1481 A 40 LYS H A 41 TYR HD% 1.0 0.0 5.36 1777 1482 A 5 PRO HDy A 41 TYR HD% 1.0 0.0 5.40 1778 1483 A 42 PRO HBy A 80 TRP HD1 1.0 0.0 5.07 1779 1484 A 77 LEU HA A 80 TRP HD1 1.0 0.0 5.20 1780 1485 A 80 TRP HD1 A 45 LYS H 1.0 0.0 5.36 1781 1486 A 48 LEU HD1% A 80 TRP HD1 1.0 0.0 5.15 1782 1487 A 80 TRP HD1 A 81 GLN H 1.0 0.0 5.39 1783 1488 A 80 TRP HD1 A 82 LYS H 1.0 0.0 5.46 1784 1489 A 80 TRP HZ2 A 42 PRO HGy 1.0 0.0 5.28 1785 1490 A 43 ILE HB A 80 TRP HZ2 1.0 0.0 5.22 1786 1491 A 80 TRP HZ2 A 38 LEU HA 1.0 0.0 5.29 1787 1492 A 42 PRO HBy A 80 TRP HZ2 1.0 0.0 5.18 1788 1493 A 80 TRP HZ2 A 77 LEU HD1% 1.0 0.0 5.30 1789 1493 A 80 TRP HZ2 A 77 LEU HD2% 1.0 0.0 5.30 1790 1494 A 80 TRP HH2 A 60 VAL HB 1.0 0.0 5.16 1791 1495 A 80 TRP HH2 A 57 ILE H 1.0 0.0 5.22 1792 1496 A 42 PRO HA A 80 TRP HH2 1.0 0.0 5.42 1793 1497 A 42 PRO HBy A 80 TRP HH2 1.0 0.0 5.48 1794 1498 A 80 TRP HH2 A 57 ILE HG1x 1.0 0.0 5.30 1795 1499 A 80 TRP HE3 A 57 ILE HG1x 1.0 0.0 5.27 1796 1500 A 80 TRP HE3 A 56 LEU HD1% 1.0 0.0 5.18 1797 1500 A 80 TRP HE3 A 56 LEU HD2% 1.0 0.0 5.18 1798 1501 A 80 TRP HE3 A 77 LEU HD1% 1.0 0.0 5.16 1799 1501 A 80 TRP HE3 A 77 LEU HD2% 1.0 0.0 5.16 1800 1502 A 80 TRP HE3 A 77 LEU HG 1.0 0.0 5.30 1801 1503 A 80 TRP HE3 A 57 ILE HG2% 1.0 0.0 5.19 1802 1504 A 43 ILE HG2% A 80 TRP HE3 1.0 0.0 5.16 1803 1505 A 43 ILE HD1% A 80 TRP HE3 1.0 0.0 5.30 1804 1506 A 80 TRP HE3 A 57 ILE HD1% 1.0 0.0 5.18 1805 1507 A 80 TRP HE3 A 57 ILE HB 1.0 0.0 5.10 1806 1508 A 88 HIS HD2 A 82 LYS HA 1.0 0.0 5.41 1807 1509 A 80 TRP HE3 A 81 GLN HE21 1.0 0.0 5.23 1808 1510 A 80 TRP HE3 A 57 ILE H 1.0 0.0 5.14 1809 1511 A 88 HIS HD2 A 82 LYS HEx 1.0 0.0 5.28 1810 1511 A 88 HIS HD2 A 82 LYS HEy 1.0 0.0 5.28 1811 1512 A 88 HIS HD2 A 91 GLU HG2 1.0 0.0 5.17 1812 1512 A 88 HIS HD2 A 91 GLU HG3 1.0 0.0 5.17 1813 1513 A 88 HIS HD2 A 82 LYS HBx 1.0 0.0 5.12 1814 1514 A 88 HIS HD2 A 82 LYS HBy 1.0 0.0 5.50 1815 1515 A 88 HIS HD2 A 82 LYS HGx 1.0 0.0 5.28 1816 1515 A 88 HIS HD2 A 82 LYS HGy 1.0 0.0 5.28 1817 1516 A 80 TRP HZ3 A 57 ILE HG1x 1.0 0.0 5.18 1818 1517 A 77 LEU HA A 80 TRP HZ3 1.0 0.0 5.09 1819 1518 A 48 LEU HG A 80 TRP HZ3 1.0 0.0 5.28 1820 1519 A 57 ILE HA A 80 TRP HZ3 1.0 0.0 5.38 1821 1520 A 56 LEU H A 80 TRP HZ3 1.0 0.0 5.18 1822 1521 A 48 LEU HD2% A 80 TRP HZ3 1.0 0.0 5.35 1823 1522 A 80 TRP HZ3 A 53 LEU HBy 1.0 0.0 5.50 1824 1523 A 80 TRP HZ3 A 56 LEU HD1% 1.0 0.0 5.30 1825 1523 A 56 LEU HD2% A 80 TRP HZ3 1.0 0.0 5.30 1826 1524 A 57 ILE HG1y A 80 TRP HZ3 1.0 0.0 5.37 1827 1525 A 56 LEU HBx A 80 TRP HZ3 1.0 0.0 5.14 1828 1526 A 48 LEU HD1% A 80 TRP HZ3 1.0 0.0 5.30 1829 1527 A 53 LEU HBx A 80 TRP HZ3 1.0 0.0 5.25 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 8 PRO O A 11 ILE N 1.0 0.0 3.0 2 2 A 11 ILE H A 8 PRO O 1.0 0.0 2.0 3 3 A 9 GLN O A 12 ARG N 1.0 0.0 3.0 4 4 A 12 ARG H A 9 GLN O 1.0 0.0 2.0 5 5 A 10 GLN O A 13 ASP N 1.0 0.0 3.0 6 6 A 13 ASP H A 10 GLN O 1.0 0.0 2.0 7 7 A 11 ILE O A 14 ARG N 1.0 0.0 3.0 8 8 A 14 ARG H A 11 ILE O 1.0 0.0 2.0 9 9 A 12 ARG O A 15 LEU N 1.0 0.0 3.0 10 10 A 15 LEU H A 12 ARG O 1.0 0.0 2.0 11 11 A 13 ASP O A 16 LEU N 1.0 0.0 3.0 12 12 A 16 LEU H A 13 ASP O 1.0 0.0 2.0 13 13 A 16 LEU N A 14 ARG O 1.0 0.0 3.0 14 14 A 16 LEU H A 14 ARG O 1.0 0.0 2.0 15 15 A 28 MET O A 31 VAL N 1.0 0.0 3.0 16 16 A 31 VAL H A 28 MET O 1.0 0.0 2.0 17 17 A 29 VAL O A 32 LEU N 1.0 0.0 3.0 18 18 A 32 LEU H A 29 VAL O 1.0 0.0 2.0 19 19 A 30 ALA O A 33 GLU N 1.0 0.0 3.0 20 20 A 33 GLU H A 30 ALA O 1.0 0.0 2.0 21 21 A 31 VAL O A 34 VAL N 1.0 0.0 3.0 22 22 A 34 VAL H A 31 VAL O 1.0 0.0 2.0 23 23 A 32 LEU O A 35 ILE N 1.0 0.0 3.0 24 24 A 35 ILE H A 32 LEU O 1.0 0.0 2.0 25 25 A 33 GLU O A 36 SER N 1.0 0.0 3.0 26 26 A 36 SER H A 33 GLU O 1.0 0.0 2.0 27 27 A 34 VAL O A 37 SER N 1.0 0.0 3.0 28 28 A 37 SER H A 34 VAL O 1.0 0.0 2.0 29 29 A 35 ILE O A 38 LEU N 1.0 0.0 3.0 30 30 A 38 LEU H A 35 ILE O 1.0 0.0 2.0 31 31 A 45 LYS O A 48 LEU N 1.0 0.0 3.0 32 32 A 48 LEU H A 45 LYS O 1.0 0.0 2.0 33 33 A 46 GLU O A 49 GLU N 1.0 0.0 3.0 34 34 A 49 GLU H A 46 GLU O 1.0 0.0 2.0 35 35 A 52 ARG O A 55 LYS N 1.0 0.0 3.0 36 36 A 55 LYS H A 52 ARG O 1.0 0.0 2.0 37 37 A 53 LEU O A 56 LEU N 1.0 0.0 3.0 38 38 A 56 LEU H A 53 LEU O 1.0 0.0 2.0 39 39 A 54 GLY O A 57 ILE N 1.0 0.0 3.0 40 40 A 57 ILE H A 54 GLY O 1.0 0.0 2.0 41 41 A 55 LYS O A 58 ASN N 1.0 0.0 3.0 42 42 A 58 ASN H A 55 LYS O 1.0 0.0 2.0 43 43 A 56 LEU O A 59 ASP N 1.0 0.0 3.0 44 44 A 59 ASP H A 56 LEU O 1.0 0.0 2.0 45 45 A 57 ILE O A 60 VAL N 1.0 0.0 3.0 46 46 A 60 VAL H A 57 ILE O 1.0 0.0 2.0 47 47 A 58 ASN O A 61 ARG N 1.0 0.0 3.0 48 48 A 61 ARG H A 58 ASN O 1.0 0.0 2.0 49 49 A 67 GLU O A 70 ALA N 1.0 0.0 3.0 50 50 A 70 ALA H A 67 GLU O 1.0 0.0 2.0 51 51 A 68 GLU O A 71 LYS N 1.0 0.0 3.0 52 52 A 71 LYS H A 68 GLU O 1.0 0.0 2.0 53 53 A 69 LEU O A 72 ARG N 1.0 0.0 3.0 54 54 A 72 ARG H A 69 LEU O 1.0 0.0 2.0 55 55 A 70 ALA O A 73 ALA N 1.0 0.0 3.0 56 56 A 73 ALA H A 70 ALA O 1.0 0.0 2.0 57 57 A 71 LYS O A 74 LYS N 1.0 0.0 3.0 58 58 A 74 LYS H A 71 LYS O 1.0 0.0 2.0 59 59 A 72 ARG O A 75 LYS N 1.0 0.0 3.0 60 60 A 75 LYS H A 72 ARG O 1.0 0.0 2.0 61 61 A 73 ALA O A 76 LEU N 1.0 0.0 3.0 62 62 A 76 LEU H A 73 ALA O 1.0 0.0 2.0 63 63 A 74 LYS O A 77 LEU N 1.0 0.0 3.0 64 64 A 77 LEU H A 74 LYS O 1.0 0.0 2.0 65 65 A 75 LYS O A 78 ARG N 1.0 0.0 3.0 66 66 A 78 ARG H A 75 LYS O 1.0 0.0 2.0 67 67 A 76 LEU O A 79 SER N 1.0 0.0 3.0 68 68 A 79 SER H A 76 LEU O 1.0 0.0 2.0 69 69 A 77 LEU O A 80 TRP N 1.0 0.0 3.0 70 70 A 80 TRP H A 77 LEU O 1.0 0.0 2.0 71 71 A 78 ARG O A 81 GLN N 1.0 0.0 3.0 72 72 A 81 GLN H A 78 ARG O 1.0 0.0 2.0 73 73 A 79 SER O A 82 LYS N 1.0 0.0 3.0 74 74 A 82 LYS H A 79 SER O 1.0 0.0 2.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 GLN N 1.0 -43.0 -28.0 PSI 2 2 A 8 PRO C A 9 GLN N A 9 GLN CA A 9 GLN C 1.0 -70.0 -62.0 PHI 3 3 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 GLN N 1.0 -42.0 -22.0 PSI 4 4 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 GLN N 1.0 -85.0 115.0 PSI 5 5 A 9 GLN C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -68.0 -61.0 PHI 6 6 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ILE N 1.0 -46.0 -33.0 PSI 7 7 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ILE N 1.0 -85.0 115.0 PSI 8 8 A 10 GLN C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -69.0 -62.0 PHI 9 9 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ARG N 1.0 -47.0 -35.0 PSI 10 10 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ARG N 1.0 -85.0 5.0 PSI 11 11 A 11 ILE C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -64.0 -58.0 PHI 12 12 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 ASP N 1.0 -46.0 -37.0 PSI 13 13 A 12 ARG C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -69.0 -57.0 PHI 14 14 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 ARG N 1.0 -49.0 -33.0 PSI 15 15 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 ARG N 1.0 -85.0 25.0 PSI 16 16 A 13 ASP C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -72.0 -60.0 PHI 17 17 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LEU N 1.0 -45.0 -33.0 PSI 18 18 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LEU N 1.0 -85.0 115.0 PSI 19 19 A 14 ARG C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -68.0 -60.0 PHI 20 20 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LEU N 1.0 -50.0 -42.0 PSI 21 21 A 15 LEU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -71.0 -56.0 PHI 22 22 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLN N 1.0 -47.0 -29.0 PSI 23 23 A 16 LEU C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -77.0 -59.0 PHI 24 24 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ALA N 1.0 -38.0 -12.0 PSI 25 25 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ALA N 1.0 -85.0 105.0 PSI 26 26 A 17 GLN C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -109.0 -90.0 PHI 27 27 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ILE N 1.0 -26.0 9.0 PSI 28 28 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ILE N 1.0 -85.0 105.0 PSI 29 29 A 18 ALA C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -145.0 -118.0 PHI 30 30 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ASP N 1.0 147.0 166.0 PSI 31 31 A 19 ILE C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -107.0 -61.0 PHI 32 32 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 PRO N 1.0 97.0 163.0 PSI 33 33 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 GLN N 1.0 -27.0 -14.0 PSI 34 34 A 21 PRO C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -109.0 -83.0 PHI 35 35 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 SER N 1.0 6.0 22.0 PSI 36 36 A 22 GLN C A 23 SER N A 23 SER CA A 23 SER C 1.0 49.0 65.0 PHI 37 37 A 23 SER N A 23 SER CA A 23 SER C A 24 ASN N 1.0 20.0 43.0 PSI 38 38 A 23 SER N A 23 SER CA A 23 SER C A 24 ASN N 1.0 -85.0 115.0 PSI 39 39 A 23 SER C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -110.7 -73.7 PHI 40 40 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 ILE N 1.0 131.4 157.8 PSI 41 41 A 24 ASN C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -129.0 -35.0 PHI 42 42 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 ARG N 1.0 86.0 170.0 PSI 43 43 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 ARG N 1.0 -85.0 165.0 PSI 44 44 A 25 ILE C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -110.0 -79.0 PHI 45 45 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 ASN N 1.0 -42.0 3.0 PSI 46 46 A 26 ARG C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -135.0 -79.0 PHI 47 47 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 MET N 1.0 83.0 139.0 PSI 48 48 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 MET N 1.0 -85.0 205.0 PSI 49 49 A 27 ASN C A 28 MET N A 28 MET CA A 28 MET C 1.0 -63.0 -47.0 PHI 50 50 A 28 MET N A 28 MET CA A 28 MET C A 29 VAL N 1.0 -52.0 -24.0 PSI 51 51 A 28 MET N A 28 MET CA A 28 MET C A 29 VAL N 1.0 -85.0 205.0 PSI 52 52 A 28 MET C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -65.0 -55.0 PHI 53 53 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 ALA N 1.0 -50.0 -37.0 PSI 54 54 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 ALA N 1.0 -85.0 45.0 PSI 55 55 A 29 VAL C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -70.0 -60.0 PHI 56 56 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 VAL N 1.0 -45.0 -32.0 PSI 57 57 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 VAL N 1.0 -85.0 105.0 PSI 58 58 A 30 ALA C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -64.0 -56.0 PHI 59 59 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 LEU N 1.0 -50.0 -40.0 PSI 60 60 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 LEU N 1.0 -85.0 5.0 PSI 61 61 A 31 VAL C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -65.0 -56.0 PHI 62 62 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLU N 1.0 -46.0 -33.0 PSI 63 63 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLU N 1.0 -85.0 35.0 PSI 64 64 A 32 LEU C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -68.0 -59.0 PHI 65 65 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 VAL N 1.0 -47.0 -34.0 PSI 66 66 A 33 GLU C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -77.0 -57.0 PHI 67 67 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ILE N 1.0 -50.0 -30.0 PSI 68 68 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ILE N 1.0 -85.0 15.0 PSI 69 69 A 34 VAL C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -70.0 -56.0 PHI 70 70 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 SER N 1.0 -50.0 -35.0 PSI 71 71 A 35 ILE C A 36 SER N A 36 SER CA A 36 SER C 1.0 -67.0 -59.0 PHI 72 72 A 36 SER N A 36 SER CA A 36 SER C A 37 SER N 1.0 -46.0 -35.0 PSI 73 73 A 36 SER N A 36 SER CA A 36 SER C A 37 SER N 1.0 -85.0 105.0 PSI 74 74 A 36 SER C A 37 SER N A 37 SER CA A 37 SER C 1.0 -67.0 -59.0 PHI 75 75 A 37 SER N A 37 SER CA A 37 SER C A 38 LEU N 1.0 -48.0 -37.0 PSI 76 76 A 37 SER N A 37 SER CA A 37 SER C A 38 LEU N 1.0 -85.0 205.0 PSI 77 77 A 37 SER C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -74.0 -54.0 PHI 78 78 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLU N 1.0 -52.0 -26.0 PSI 79 79 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLU N 1.0 -85.0 205.0 PSI 80 80 A 38 LEU C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -76.0 -60.0 PHI 81 81 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 LYS N 1.0 -41.0 -21.0 PSI 82 82 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 LYS N 1.0 -85.0 125.0 PSI 83 83 A 39 GLU C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -97.0 -74.0 PHI 84 84 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 TYR N 1.0 -19.0 0.0 PSI 85 85 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 TYR N 1.0 -85.0 105.0 PSI 86 86 A 40 LYS C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -137.0 -94.0 PHI 87 87 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 PRO N 1.0 76.0 130.0 PSI 88 88 A 42 PRO N A 42 PRO CA A 42 PRO C A 43 ILE N 1.0 132.0 154.0 PSI 89 89 A 43 ILE C A 44 THR N A 44 THR CA A 44 THR C 1.0 -108.0 -73.0 PHI 90 90 A 44 THR N A 44 THR CA A 44 THR C A 45 LYS N 1.0 160.0 172.0 PSI 91 91 A 44 THR C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -72.0 -56.0 PHI 92 92 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 GLU N 1.0 -44.0 -26.0 PSI 93 93 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 GLU N 1.0 -85.0 195.0 PSI 94 94 A 45 LYS C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -67.0 -58.0 PHI 95 95 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ALA N 1.0 -47.0 -35.0 PSI 96 96 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ALA N 1.0 -85.0 5.0 PSI 97 97 A 46 GLU C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -69.0 -59.0 PHI 98 98 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 LEU N 1.0 -48.0 -35.0 PSI 99 99 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 LEU N 1.0 -85.0 105.0 PSI 100 100 A 47 ALA C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -74.0 -60.0 PHI 101 101 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLU N 1.0 -44.0 -29.0 PSI 102 102 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLU N 1.0 -85.0 15.0 PSI 103 103 A 48 LEU C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -70.0 -59.0 PHI 104 104 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 GLU N 1.0 -46.0 -37.0 PSI 105 105 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 GLU N 1.0 -85.0 195.0 PSI 106 106 A 49 GLU C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -80.0 -59.0 PHI 107 107 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 THR N 1.0 -53.0 -15.0 PSI 108 108 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 THR N 1.0 -85.0 5.0 PSI 109 109 A 50 GLU C A 51 THR N A 51 THR CA A 51 THR C 1.0 -112.0 -81.0 PHI 110 110 A 51 THR N A 51 THR CA A 51 THR C A 52 ARG N 1.0 -19.0 8.0 PSI 111 111 A 51 THR N A 51 THR CA A 51 THR C A 52 ARG N 1.0 -85.0 115.0 PSI 112 112 A 51 THR C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 52.0 67.0 PHI 113 113 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 LEU N 1.0 27.0 40.0 PSI 114 114 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 LEU N 1.0 -85.0 125.0 PSI 115 115 A 52 ARG C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -86.0 -48.0 PHI 116 116 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLY N 1.0 -58.0 -6.0 PSI 117 117 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLY N 1.0 -85.0 145.0 PSI 118 118 A 53 LEU C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 -72.0 -60.0 PHI 119 119 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 LYS N 1.0 -44.0 -34.0 PSI 120 120 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 LYS N 1.0 -115.0 115.0 PSI 121 121 A 54 GLY C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -67.0 -59.0 PHI 122 122 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LEU N 1.0 -46.0 -35.0 PSI 123 123 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LEU N 1.0 -85.0 105.0 PSI 124 124 A 55 LYS C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -67.0 -57.0 PHI 125 125 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ILE N 1.0 -51.0 -35.0 PSI 126 126 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ILE N 1.0 -85.0 25.0 PSI 127 127 A 56 LEU C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -72.0 -60.0 PHI 128 128 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ASN N 1.0 -44.0 -14.0 PSI 129 129 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ASN N 1.0 -85.0 25.0 PSI 130 130 A 57 ILE C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -70.0 -56.0 PHI 131 131 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 ASP N 1.0 -49.0 -31.0 PSI 132 132 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 ASP N 1.0 -85.0 25.0 PSI 133 133 A 58 ASN C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -70.0 -59.0 PHI 134 134 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 VAL N 1.0 -42.0 -37.0 PSI 135 135 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 VAL N 1.0 -85.0 15.0 PSI 136 136 A 59 ASP C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -81.0 -60.0 PHI 137 137 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 ARG N 1.0 -45.0 -27.0 PSI 138 138 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 ARG N 1.0 -85.0 95.0 PSI 139 139 A 60 VAL C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -69.0 -57.0 PHI 140 140 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 LYS N 1.0 -48.0 -28.0 PSI 141 141 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 LYS N 1.0 -85.0 195.0 PSI 142 142 A 61 ARG C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -87.0 -60.0 PHI 143 143 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 LYS N 1.0 -34.0 -15.0 PSI 144 144 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 LYS N 1.0 -85.0 195.0 PSI 145 145 A 62 LYS C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -105.0 -81.0 PHI 146 146 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 THR N 1.0 -18.0 14.0 PSI 147 147 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 THR N 1.0 -85.0 35.0 PSI 148 148 A 63 LYS C A 64 THR N A 64 THR CA A 64 THR C 1.0 -126.0 -65.0 PHI 149 149 A 64 THR N A 64 THR CA A 64 THR C A 65 LYS N 1.0 127.0 161.0 PSI 150 150 A 64 THR N A 64 THR CA A 64 THR C A 65 LYS N 1.0 -85.0 195.0 PSI 151 151 A 65 LYS C A 66 ASN N A 66 ASN CA A 66 ASN C 1.0 -124.0 -70.0 PHI 152 152 A 66 ASN N A 66 ASN CA A 66 ASN C A 67 GLU N 1.0 93.0 135.0 PSI 153 153 A 66 ASN N A 66 ASN CA A 66 ASN C A 67 GLU N 1.0 -35.0 205.0 PSI 154 154 A 66 ASN C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -63.0 -54.0 PHI 155 155 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 GLU N 1.0 -40.0 -17.0 PSI 156 156 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 GLU N 1.0 -85.0 135.0 PSI 157 157 A 67 GLU C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -69.0 -54.0 PHI 158 158 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 LEU N 1.0 -47.0 -32.0 PSI 159 159 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 LEU N 1.0 -85.0 195.0 PSI 160 160 A 68 GLU C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -69.0 -61.0 PHI 161 161 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 ALA N 1.0 -47.0 -37.0 PSI 162 162 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 ALA N 1.0 -85.0 15.0 PSI 163 163 A 69 LEU C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -64.0 -57.0 PHI 164 164 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LYS N 1.0 -45.0 -35.0 PSI 165 165 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LYS N 1.0 -85.0 95.0 PSI 166 166 A 70 ALA C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -67.0 -59.0 PHI 167 167 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ARG N 1.0 -44.0 -38.0 PSI 168 168 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ARG N 1.0 -85.0 205.0 PSI 169 169 A 71 LYS C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -71.0 -60.0 PHI 170 170 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 ALA N 1.0 -47.0 -37.0 PSI 171 171 A 72 ARG C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -71.0 -62.0 PHI 172 172 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 LYS N 1.0 -44.0 -34.0 PSI 173 173 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 LYS N 1.0 -85.0 105.0 PSI 174 174 A 73 ALA C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -63.0 -56.0 PHI 175 175 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 LYS N 1.0 -49.0 -40.0 PSI 176 176 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 LYS N 1.0 -85.0 15.0 PSI 177 177 A 74 LYS C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -64.0 -57.0 PHI 178 178 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 LEU N 1.0 -47.0 -37.0 PSI 179 179 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 LEU N 1.0 -85.0 115.0 PSI 180 180 A 75 LYS C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -68.0 -59.0 PHI 181 181 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LEU N 1.0 -46.0 -37.0 PSI 182 182 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LEU N 1.0 -85.0 135.0 PSI 183 183 A 76 LEU C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -64.0 -57.0 PHI 184 184 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 ARG N 1.0 -43.0 -33.0 PSI 185 185 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 ARG N 1.0 -85.0 145.0 PSI 186 186 A 77 LEU C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -66.0 -56.0 PHI 187 187 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 SER N 1.0 -49.0 -29.0 PSI 188 188 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 SER N 1.0 -85.0 105.0 PSI 189 189 A 78 ARG C A 79 SER N A 79 SER CA A 79 SER C 1.0 -68.0 -57.0 PHI 190 190 A 79 SER N A 79 SER CA A 79 SER C A 80 TRP N 1.0 -46.0 -23.0 PSI 191 191 A 79 SER N A 79 SER CA A 79 SER C A 80 TRP N 1.0 -85.0 125.0 PSI 192 192 A 79 SER C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -94.0 -55.0 PHI 193 193 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 GLN N 1.0 -55.0 0.0 PSI 194 194 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 GLN N 1.0 -85.0 195.0 PSI 195 195 A 80 TRP C A 81 GLN N A 81 GLN CA A 81 GLN C 1.0 -76.0 -56.0 PHI 196 196 A 81 GLN N A 81 GLN CA A 81 GLN C A 82 LYS N 1.0 -47.0 -21.0 PSI 197 197 A 81 GLN N A 81 GLN CA A 81 GLN C A 82 LYS N 1.0 -85.0 195.0 PSI 198 198 A 81 GLN C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -82.0 -62.0 PHI 199 199 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 LEU N 1.0 -35.0 -3.0 PSI 200 200 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 LEU N 1.0 -85.0 205.0 PSI 201 201 A 82 LYS C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -87.0 -58.0 PHI 202 202 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 ILE N 1.0 -39.0 -12.0 PSI 203 203 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 ILE N 1.0 -85.0 115.0 PSI 204 204 A 83 LEU C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -104.0 -77.0 PHI 205 205 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 GLU N 1.0 -21.0 11.0 PSI 206 206 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 GLU N 1.0 -85.0 115.0 PSI 207 207 A 1 MET N A 1 MET CA A 1 MET C A 2 THR N 1.0 -85.0 195.0 PSI 208 208 A 2 THR N A 2 THR CA A 2 THR C A 3 ALA N 1.0 -85.0 195.0 PSI 209 209 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 ALA N 1.0 -85.0 205.0 PSI 210 210 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 SER N 1.0 -85.0 205.0 PSI 211 211 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -225.0 105.0 CHI1 212 212 A 20 ASP N A 20 ASP CA A 20 ASP CB A 20 ASP CG 1.0 -125.0 115.0 CHI1 213 213 A 27 ASN N A 27 ASN CA A 27 ASN CB A 27 ASN CG 1.0 -225.0 115.0 CHI1 214 214 A 38 LEU N A 38 LEU CA A 38 LEU CB A 38 LEU CG 1.0 -225.0 105.0 CHI1 215 215 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 THR N 1.0 -85.0 195.0 PSI 216 216 A 53 LEU N A 53 LEU CA A 53 LEU CB A 53 LEU CG 1.0 -225.0 105.0 CHI1 217 217 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 ASN N 1.0 -85.0 205.0 PSI 218 218 A 66 ASN N A 66 ASN CA A 66 ASN CB A 66 ASN CG 1.0 -225.0 115.0 CHI1 219 219 A 77 LEU N A 77 LEU CA A 77 LEU CB A 77 LEU CG 1.0 -225.0 105.0 CHI1 220 220 A 83 LEU N A 83 LEU CA A 83 LEU CB A 83 LEU CG 1.0 -225.0 105.0 CHI1 221 221 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 HIS N 1.0 -85.0 205.0 PSI 222 222 A 88 HIS N A 88 HIS CA A 88 HIS C A 89 GLN N 1.0 -85.0 195.0 PSI 223 223 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 HIS N 1.0 -85.0 195.0 PSI 224 224 A 90 HIS N A 90 HIS CA A 90 HIS C A 91 GLU N 1.0 -85.0 195.0 PSI 225 225 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 ALA N 1.0 -35.0 195.0 PSI stop_ save_