data_nef_c30034_5ird 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 5IRD 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 GLY start . false 2 A 2 PRO middle . false 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 MET middle . . 6 A 6 SER middle . . 7 A 7 GLU middle . . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ALA middle . . 11 A 11 PRO middle . false 12 A 12 ALA middle . . 13 A 13 GLU middle . . 14 A 14 GLU middle . . 15 A 15 LEU middle . . 16 A 16 LEU middle . . 17 A 17 ALA middle . . 18 A 18 ASP middle . . 19 A 19 VAL middle . . 20 A 20 GLU middle . . 21 A 21 GLU middle . . 22 A 22 ALA middle . . 23 A 23 MET middle . . 24 A 24 ARG middle . . 25 A 25 ASP middle . . 26 A 26 VAL middle . . 27 A 27 VAL middle . . 28 A 28 ASP middle . . 29 A 29 PRO middle . false 30 A 30 GLU middle . . 31 A 31 LEU middle . . 32 A 32 GLY middle . false 33 A 33 ILE middle . . 34 A 34 ASN middle . . 35 A 35 VAL middle . . 36 A 36 VAL middle . . 37 A 37 ASP middle . . 38 A 38 LEU middle . . 39 A 39 GLY middle . false 40 A 40 LEU middle . . 41 A 41 VAL middle . . 42 A 42 TYR middle . . 43 A 43 GLY middle . false 44 A 44 LEU middle . . 45 A 45 ASP middle . . 46 A 46 VAL middle . . 47 A 47 GLN middle . . 48 A 48 ASP middle . . 49 A 49 GLY middle . false 50 A 50 ASP middle . . 51 A 51 GLU middle . . 52 A 52 GLY middle . false 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 ALA middle . . 56 A 56 LEU middle . . 57 A 57 ILE middle . . 58 A 58 ASP middle . . 59 A 59 MET middle . . 60 A 60 THR middle . . 61 A 61 LEU middle . . 62 A 62 THR middle . . 63 A 63 SER middle . . 64 A 64 ALA middle . . 65 A 65 ALA middle . . 66 A 66 CYS middle . . 67 A 67 PRO middle . false 68 A 68 LEU middle . . 69 A 69 THR middle . . 70 A 70 ASP middle . . 71 A 71 VAL middle . . 72 A 72 ILE middle . . 73 A 73 GLU middle . . 74 A 74 ASP middle . . 75 A 75 GLN middle . . 76 A 76 SER middle . . 77 A 77 ARG middle . . 78 A 78 SER middle . . 79 A 79 ALA middle . . 80 A 80 LEU middle . . 81 A 81 VAL middle . . 82 A 82 GLY middle . false 83 A 83 SER middle . . 84 A 84 GLY middle . false 85 A 85 LEU middle . . 86 A 86 VAL middle . . 87 A 87 ASP middle . . 88 A 88 ASP middle . . 89 A 89 ILE middle . . 90 A 90 ARG middle . . 91 A 91 ILE middle . . 92 A 92 ASN middle . . 93 A 93 TRP middle . . 94 A 94 VAL middle . . 95 A 95 TRP middle . . 96 A 96 ASN middle . . 97 A 97 PRO middle . false 98 A 98 PRO middle . false 99 A 99 TRP middle . . 100 A 100 GLY middle . false 101 A 101 PRO middle . false 102 A 102 ASP middle . . 103 A 103 LYS middle . . 104 A 104 ILE middle . . 105 A 105 THR middle . . 106 A 106 GLU middle . . 107 A 107 ASP middle . . 108 A 108 GLY middle . false 109 A 109 ARG middle . . 110 A 110 GLU middle . . 111 A 111 GLN middle . . 112 A 112 LEU middle . . 113 A 113 ARG middle . . 114 A 114 ALA middle . . 115 A 115 LEU middle . . 116 A 116 GLY middle . false 117 A 117 PHE middle . . 118 A 118 THR middle . . 119 A 119 VAL end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 PRO HA H 1 4.50 0.02 A 2 PRO HDx H 1 3.61 0.02 A 2 PRO HDy H 1 3.61 0.02 A 2 PRO C C 13 177.4 0.2 A 2 PRO CA C 13 63.6 0.2 A 2 PRO CB C 13 32.1 0.2 A 2 PRO CD C 13 49.5 0.2 A 2 PRO CG C 13 26.9 0.2 A 3 GLY H H 1 8.73 0.02 A 3 GLY HAx H 1 4.01 0.02 A 3 GLY HAy H 1 4.01 0.02 A 3 GLY C C 13 174.3 0.2 A 3 GLY CA C 13 45.3 0.2 A 3 GLY N N 15 109.9 0.2 A 4 SER H H 1 8.23 0.02 A 4 SER HA H 1 4.49 0.02 A 4 SER HBx H 1 4.02 0.02 A 4 SER HBy H 1 4.02 0.02 A 4 SER CA C 13 58.4 0.2 A 4 SER CB C 13 63.8 0.2 A 4 SER N N 15 115.3 0.2 A 5 MET H H 1 8.59 0.02 A 5 MET HA H 1 4.56 0.02 A 5 MET HBy H 1 2.66 0.02 A 5 MET HBx H 1 2.57 0.02 A 5 MET HE% H 1 2.02 0.02 A 5 MET C C 13 176.3 0.2 A 5 MET CA C 13 55.7 0.2 A 5 MET CB C 13 32.7 0.2 A 5 MET CG C 13 32.0 0.2 A 5 MET N N 15 121.7 0.2 A 6 SER H H 1 8.35 0.02 A 6 SER HA H 1 4.80 0.02 A 6 SER HBx H 1 3.89 0.02 A 6 SER HBy H 1 3.89 0.02 A 6 SER C C 13 174.6 0.2 A 6 SER CA C 13 58.4 0.2 A 6 SER CB C 13 63.8 0.2 A 6 SER N N 15 116.1 0.2 A 7 GLU H H 1 8.56 0.02 A 7 GLU HA H 1 4.39 0.02 A 7 GLU HBy H 1 2.13 0.02 A 7 GLU HBx H 1 2.00 0.02 A 7 GLU HGx H 1 2.30 0.02 A 7 GLU HGy H 1 2.30 0.02 A 7 GLU C C 13 176.6 0.2 A 7 GLU CA C 13 56.8 0.2 A 7 GLU CB C 13 30.2 0.2 A 7 GLU CG C 13 36.3 0.2 A 7 GLU N N 15 122.5 0.2 A 8 THR H H 1 8.19 0.02 A 8 THR HB H 1 4.27 0.02 A 8 THR HG2% H 1 1.23 0.02 A 8 THR C C 13 174.4 0.2 A 8 THR CA C 13 61.5 0.2 A 8 THR CB C 13 69.8 0.2 A 8 THR CG2 C 13 21.4 0.2 A 8 THR N N 15 113.9 0.2 A 9 SER H H 1 8.34 0.02 A 9 SER HA H 1 4.51 0.02 A 9 SER HBx H 1 3.89 0.02 A 9 SER HBy H 1 3.89 0.02 A 9 SER C C 13 173.7 0.2 A 9 SER CA C 13 58.1 0.2 A 9 SER CB C 13 64.0 0.2 A 9 SER N N 15 118.3 0.2 A 10 ALA H H 1 8.49 0.02 A 10 ALA HA H 1 4.66 0.02 A 10 ALA HB% H 1 1.41 0.02 A 10 ALA CA C 13 51.0 0.2 A 10 ALA CB C 13 18.2 0.2 A 10 ALA N N 15 126.9 0.2 A 11 PRO HA H 1 4.43 0.02 A 11 PRO HBy H 1 2.37 0.02 A 11 PRO HBx H 1 1.95 0.02 A 11 PRO HDy H 1 3.86 0.02 A 11 PRO HDx H 1 3.73 0.02 A 11 PRO HGx H 1 2.08 0.02 A 11 PRO HGy H 1 2.08 0.02 A 11 PRO C C 13 177.6 0.2 A 11 PRO CA C 13 63.6 0.2 A 11 PRO CB C 13 32.0 0.2 A 11 PRO CD C 13 50.4 0.2 A 11 PRO CG C 13 27.7 0.2 A 12 ALA H H 1 8.59 0.02 A 12 ALA HA H 1 4.22 0.02 A 12 ALA HB% H 1 1.47 0.02 A 12 ALA C C 13 178.7 0.2 A 12 ALA CA C 13 53.9 0.2 A 12 ALA CB C 13 18.6 0.2 A 12 ALA N N 15 123.9 0.2 A 13 GLU H H 1 8.53 0.02 A 13 GLU HA H 1 4.09 0.02 A 13 GLU HBx H 1 2.11 0.02 A 13 GLU HBy H 1 2.11 0.02 A 13 GLU HGx H 1 2.36 0.02 A 13 GLU HGy H 1 2.36 0.02 A 13 GLU C C 13 178.6 0.2 A 13 GLU CA C 13 58.9 0.2 A 13 GLU CB C 13 29.4 0.2 A 13 GLU CG C 13 36.4 . A 13 GLU N N 15 118.1 0.2 A 14 GLU H H 1 8.27 0.02 A 14 GLU HA H 1 4.16 0.02 A 14 GLU HBx H 1 2.02 0.02 A 14 GLU HBy H 1 2.13 0.02 A 14 GLU HGx H 1 2.33 0.02 A 14 GLU HGy H 1 2.33 0.02 A 14 GLU C C 13 177.5 0.2 A 14 GLU CA C 13 58.5 0.2 A 14 GLU CB C 13 29.4 0.2 A 14 GLU CG C 13 36.5 0.2 A 14 GLU N N 15 120.2 0.2 A 15 LEU H H 1 7.78 0.02 A 15 LEU HA H 1 4.34 0.02 A 15 LEU HBy H 1 1.78 0.02 A 15 LEU HBx H 1 1.65 0.02 A 15 LEU HDx% H 1 0.77 0.02 A 15 LEU HDy% H 1 1.01 0.02 A 15 LEU C C 13 178.4 0.2 A 15 LEU CA C 13 57.5 0.2 A 15 LEU CB C 13 41.7 0.2 A 15 LEU CDy C 13 25.6 0.2 A 15 LEU CDx C 13 23.6 0.2 A 15 LEU CG C 13 27.4 0.2 A 15 LEU N N 15 120.6 0.2 A 16 LEU H H 1 8.02 0.02 A 16 LEU HA H 1 3.84 0.02 A 16 LEU HBy H 1 1.73 0.02 A 16 LEU HBx H 1 1.66 0.02 A 16 LEU HDx% H 1 0.92 0.02 A 16 LEU HDy% H 1 0.92 0.02 A 16 LEU HG H 1 1.70 0.02 A 16 LEU C C 13 178.8 0.2 A 16 LEU CA C 13 58.3 0.2 A 16 LEU CB C 13 41.3 0.2 A 16 LEU CDy C 13 24.5 0.2 A 16 LEU CDx C 13 24.4 0.2 A 16 LEU CG C 13 27.2 0.2 A 16 LEU N N 15 117.8 0.2 A 17 ALA H H 1 7.66 0.02 A 17 ALA HA H 1 4.22 0.02 A 17 ALA HB% H 1 1.53 0.02 A 17 ALA C C 13 175.9 0.2 A 17 ALA CA C 13 55.1 0.2 A 17 ALA CB C 13 17.8 0.2 A 17 ALA N N 15 120.8 0.2 A 18 ASP H H 1 8.06 0.02 A 18 ASP HA H 1 4.47 0.02 A 18 ASP HBy H 1 2.96 0.02 A 18 ASP HBx H 1 2.64 0.02 A 18 ASP C C 13 179.4 0.2 A 18 ASP CA C 13 57.3 0.2 A 18 ASP CB C 13 40.1 0.2 A 18 ASP N N 15 120.0 0.2 A 19 VAL H H 1 8.67 0.02 A 19 VAL HA H 1 3.51 0.02 A 19 VAL HB H 1 2.25 0.02 A 19 VAL HGx% H 1 0.92 0.02 A 19 VAL HGy% H 1 0.82 0.02 A 19 VAL CA C 13 66.3 0.2 A 19 VAL CB C 13 31.2 0.2 A 19 VAL CGy C 13 23.4 0.2 A 19 VAL CGx C 13 21.9 0.2 A 19 VAL N N 15 122.9 0.2 A 20 GLU H H 1 8.19 0.02 A 20 GLU HA H 1 3.59 0.02 A 20 GLU HGx H 1 2.17 0.02 A 20 GLU HGy H 1 2.17 0.02 A 20 GLU C C 13 177.8 0.2 A 20 GLU CA C 13 60.5 0.2 A 20 GLU CB C 13 29.4 0.2 A 20 GLU CG C 13 36.8 0.2 A 20 GLU N N 15 119.7 0.2 A 21 GLU H H 1 7.84 0.02 A 21 GLU HA H 1 4.04 0.02 A 21 GLU HGy H 1 2.38 0.02 A 21 GLU HGx H 1 2.29 0.02 A 21 GLU C C 13 179.9 0.2 A 21 GLU CA C 13 58.9 0.2 A 21 GLU CB C 13 29.2 0.2 A 21 GLU CG C 13 35.5 0.2 A 21 GLU N N 15 115.6 0.2 A 22 ALA H H 1 8.07 0.02 A 22 ALA HA H 1 4.17 0.02 A 22 ALA HB% H 1 1.38 0.02 A 22 ALA C C 13 180.0 0.2 A 22 ALA CA C 13 54.6 0.2 A 22 ALA CB C 13 18.7 0.2 A 22 ALA N N 15 123.2 0.2 A 23 MET H H 1 7.74 0.02 A 23 MET HA H 1 4.43 0.02 A 23 MET HBy H 1 2.26 0.02 A 23 MET HBx H 1 1.87 0.02 A 23 MET HE% H 1 1.85 0.02 A 23 MET HGy H 1 2.62 0.02 A 23 MET HGx H 1 2.45 0.02 A 23 MET C C 13 177.8 0.2 A 23 MET CA C 13 55.3 0.2 A 23 MET CB C 13 29.6 0.2 A 23 MET CE C 13 15.4 0.2 A 23 MET CG C 13 32.9 0.2 A 23 MET N N 15 115.0 0.2 A 24 ARG H H 1 7.57 0.02 A 24 ARG HA H 1 4.09 0.02 A 24 ARG HBx H 1 2.01 0.02 A 24 ARG HBy H 1 2.01 0.02 A 24 ARG HDy H 1 3.31 0.02 A 24 ARG HDx H 1 3.20 0.02 A 24 ARG HGx H 1 1.52 0.02 A 24 ARG C C 13 175.6 0.2 A 24 ARG CA C 13 58.3 0.2 A 24 ARG CB C 13 29.3 0.2 A 24 ARG CD C 13 43.5 0.2 A 24 ARG N N 15 116.6 0.2 A 25 ASP H H 1 7.63 0.02 A 25 ASP HA H 1 4.77 0.02 A 25 ASP HBy H 1 2.86 0.02 A 25 ASP HBx H 1 2.77 0.02 A 25 ASP C C 13 175.9 0.2 A 25 ASP CA C 13 54.6 0.2 A 25 ASP CB C 13 41.1 0.2 A 25 ASP N N 15 116.2 0.2 A 26 VAL H H 1 7.77 0.02 A 26 VAL HA H 1 3.93 0.02 A 26 VAL HB H 1 2.61 0.02 A 26 VAL HGx% H 1 0.87 0.02 A 26 VAL HGy% H 1 0.87 0.02 A 26 VAL C C 13 174.7 0.2 A 26 VAL CA C 13 62.9 0.2 A 26 VAL CB C 13 30.7 0.2 A 26 VAL CGx C 13 21.1 0.2 A 26 VAL CGy C 13 21.1 0.2 A 26 VAL N N 15 124.0 0.2 A 27 VAL H H 1 8.70 0.02 A 27 VAL HA H 1 4.22 0.02 A 27 VAL HB H 1 1.73 0.02 A 27 VAL HGx% H 1 0.73 0.02 A 27 VAL HGy% H 1 0.54 0.02 A 27 VAL C C 13 175.8 0.2 A 27 VAL CA C 13 61.0 . A 27 VAL CB C 13 34.9 0.2 A 27 VAL CGy C 13 20.7 0.2 A 27 VAL CGx C 13 20.4 0.2 A 27 VAL N N 15 125.2 0.2 A 28 ASP H H 1 7.73 0.02 A 28 ASP HBy H 1 2.65 0.02 A 28 ASP HBx H 1 2.26 0.02 A 28 ASP CA C 13 51.4 0.2 A 28 ASP CB C 13 42.9 0.2 A 28 ASP N N 15 124.5 0.2 A 29 PRO HA H 1 4.64 0.02 A 29 PRO HBy H 1 2.62 0.02 A 29 PRO HBx H 1 2.11 0.02 A 29 PRO HDx H 1 3.81 0.02 A 29 PRO HDy H 1 3.81 0.02 A 29 PRO HGx H 1 2.26 0.02 A 29 PRO HGy H 1 2.26 0.02 A 29 PRO C C 13 176.8 0.2 A 29 PRO CA C 13 62.8 0.2 A 29 PRO CB C 13 32.0 0.2 A 29 PRO CD C 13 50.5 0.2 A 29 PRO CG C 13 27.7 0.2 A 30 GLU H H 1 9.42 0.02 A 30 GLU HA H 1 4.06 0.02 A 30 GLU HBy H 1 3.36 0.02 A 30 GLU HBx H 1 3.17 0.02 A 30 GLU CA C 13 60.8 0.2 A 30 GLU CB C 13 29.1 0.2 A 30 GLU N N 15 124.7 0.2 A 31 LEU HA H 1 4.27 0.02 A 31 LEU HBy H 1 1.45 0.02 A 31 LEU HBx H 1 1.32 0.02 A 31 LEU HDx% H 1 0.92 0.02 A 31 LEU C C 13 177.5 0.2 A 31 LEU CA C 13 55.1 0.2 A 31 LEU CB C 13 43.8 0.2 A 31 LEU CDx C 13 22.9 0.2 A 31 LEU CDy C 13 22.9 0.2 A 31 LEU CG C 13 26.0 0.2 A 32 GLY H H 1 8.39 0.02 A 32 GLY HAy H 1 4.05 0.02 A 32 GLY HAx H 1 3.54 0.02 A 32 GLY C C 13 173.9 0.2 A 32 GLY CA C 13 45.8 0.2 A 32 GLY N N 15 102.8 0.2 A 33 ILE H H 1 6.55 0.02 A 33 ILE HA H 1 4.74 0.02 A 33 ILE HB H 1 1.75 0.02 A 33 ILE HD1% H 1 0.77 0.02 A 33 ILE HG1x H 1 1.41 0.02 A 33 ILE HG2% H 1 1.00 0.02 A 33 ILE C C 13 174.5 0.2 A 33 ILE CA C 13 58.0 0.2 A 33 ILE CB C 13 41.4 0.2 A 33 ILE CD1 C 13 14.0 0.2 A 33 ILE CG1 C 13 26.3 0.2 A 33 ILE CG2 C 13 17.5 0.2 A 33 ILE N N 15 110.8 0.2 A 34 ASN H H 1 8.85 0.02 A 34 ASN HA H 1 5.23 0.02 A 34 ASN HBy H 1 3.01 0.02 A 34 ASN HBx H 1 2.73 0.02 A 34 ASN HD2y H 1 7.63 0.02 A 34 ASN HD2x H 1 6.94 0.02 A 34 ASN CA C 13 54.1 0.2 A 34 ASN CB C 13 41.8 0.2 A 34 ASN N N 15 120.6 0.2 A 34 ASN ND2 N 15 112.8 0.2 A 35 VAL HA H 1 3.84 0.02 A 35 VAL HB H 1 2.26 0.02 A 35 VAL HGx% H 1 0.94 0.02 A 35 VAL HGy% H 1 0.94 0.02 A 35 VAL C C 13 180.9 0.2 A 35 VAL CA C 13 64.5 0.2 A 35 VAL CB C 13 31.6 0.2 A 35 VAL CGy C 13 22.3 0.2 A 35 VAL CGx C 13 17.6 0.2 A 36 VAL H H 1 8.25 0.02 A 36 VAL HA H 1 3.93 0.02 A 36 VAL HB H 1 2.26 0.02 A 36 VAL HGx% H 1 0.90 0.02 A 36 VAL HGy% H 1 0.90 0.02 A 36 VAL CA C 13 65.7 0.2 A 36 VAL CB C 13 31.6 0.2 A 36 VAL CGx C 13 22.3 0.2 A 36 VAL CGy C 13 22.3 0.2 A 36 VAL N N 15 122.2 0.2 A 37 ASP H H 1 8.98 0.02 A 37 ASP HBx H 1 2.33 0.02 A 37 ASP HBy H 1 2.33 0.02 A 37 ASP C C 13 177.2 0.2 A 37 ASP CA C 13 57.2 0.2 A 37 ASP CB C 13 40.3 0.2 A 37 ASP N N 15 122.3 0.2 A 38 LEU H H 1 7.77 0.02 A 38 LEU HA H 1 4.40 0.02 A 38 LEU HBx H 1 1.56 0.02 A 38 LEU HBy H 1 1.56 0.02 A 38 LEU HDx% H 1 0.82 0.2 A 38 LEU C C 13 175.6 0.2 A 38 LEU CA C 13 55.5 0.2 A 38 LEU CB C 13 44.0 0.2 A 38 LEU CG C 13 25.6 0.2 A 38 LEU N N 15 115.9 0.2 A 39 GLY H H 1 8.84 0.02 A 39 GLY HAy H 1 4.37 0.02 A 39 GLY HAx H 1 4.08 0.02 A 39 GLY C C 13 176.0 0.2 A 39 GLY CA C 13 46.3 0.2 A 39 GLY N N 15 104.8 0.2 A 40 LEU H H 1 7.92 0.02 A 40 LEU HA H 1 4.04 0.02 A 40 LEU HBy H 1 2.04 0.02 A 40 LEU HBx H 1 1.58 0.02 A 40 LEU HDx% H 1 0.88 0.02 A 40 LEU HDy% H 1 -0.16 0.02 A 40 LEU C C 13 176.2 0.2 A 40 LEU CA C 13 55.4 0.2 A 40 LEU CB C 13 40.7 0.2 A 40 LEU CDy C 13 25.1 0.2 A 40 LEU CDx C 13 20.5 0.2 A 40 LEU CG C 13 29.6 0.2 A 40 LEU N N 15 114.7 0.2 A 41 VAL H H 1 7.83 0.02 A 41 VAL HA H 1 4.08 0.02 A 41 VAL HB H 1 2.31 0.02 A 41 VAL HGx% H 1 0.75 0.02 A 41 VAL HGy% H 1 0.75 0.02 A 41 VAL C C 13 175.7 0.2 A 41 VAL CA C 13 62.6 0.2 A 41 VAL CB C 13 30.7 0.2 A 41 VAL CGx C 13 21.8 0.2 A 41 VAL CGy C 13 21.8 0.2 A 41 VAL N N 15 115.4 0.2 A 42 TYR H H 1 8.76 0.02 A 42 TYR HA H 1 4.75 0.02 A 42 TYR HBy H 1 3.17 0.02 A 42 TYR HBx H 1 2.59 0.02 A 42 TYR HDx H 1 6.79 0.02 A 42 TYR HDy H 1 6.79 0.02 A 42 TYR HEx H 1 6.91 0.02 A 42 TYR HEy H 1 6.91 0.02 A 42 TYR C C 13 176.9 0.2 A 42 TYR CA C 13 55.6 0.2 A 42 TYR CB C 13 37.2 0.2 A 42 TYR CDx C 13 130.4 0.2 A 42 TYR CDy C 13 130.4 0.2 A 42 TYR CEx C 13 117.8 0.2 A 42 TYR CEy C 13 117.8 0.2 A 42 TYR N N 15 130.9 0.2 A 43 GLY H H 1 8.03 0.02 A 43 GLY HAy H 1 4.28 0.02 A 43 GLY HAx H 1 4.03 0.02 A 43 GLY C C 13 170.7 0.2 A 43 GLY CA C 13 46.2 0.2 A 43 GLY N N 15 108.6 0.2 A 44 LEU H H 1 8.11 0.02 A 44 LEU HA H 1 5.07 0.02 A 44 LEU HBy H 1 1.51 0.02 A 44 LEU HBx H 1 1.41 0.02 A 44 LEU HDx% H 1 0.79 0.02 A 44 LEU HDy% H 1 0.79 0.02 A 44 LEU C C 13 174.0 0.2 A 44 LEU CA C 13 54.5 0.2 A 44 LEU CB C 13 46.5 0.2 A 44 LEU CDx C 13 25.3 0.2 A 44 LEU CDy C 13 25.3 0.2 A 44 LEU CG C 13 26.9 0.2 A 44 LEU N N 15 122.1 0.2 A 45 ASP H H 1 8.76 0.02 A 45 ASP HA H 1 4.95 0.02 A 45 ASP HBy H 1 2.76 0.02 A 45 ASP HBx H 1 2.50 0.02 A 45 ASP C C 13 174.3 0.2 A 45 ASP CA C 13 52.7 0.2 A 45 ASP CB C 13 44.7 0.2 A 45 ASP N N 15 122.5 0.2 A 46 VAL H H 1 8.58 0.02 A 46 VAL HA H 1 4.19 0.02 A 46 VAL HB H 1 1.87 0.02 A 46 VAL HGx% H 1 0.80 0.02 A 46 VAL HGy% H 1 0.80 0.02 A 46 VAL C C 13 174.4 0.2 A 46 VAL CA C 13 60.9 0.2 A 46 VAL CB C 13 34.7 0.2 A 46 VAL CGx C 13 21.1 0.2 A 46 VAL CGy C 13 21.1 0.2 A 46 VAL N N 15 119.8 0.2 A 47 GLN H H 1 8.81 0.02 A 47 GLN HA H 1 4.65 0.02 A 47 GLN HBy H 1 2.06 0.02 A 47 GLN HBx H 1 1.75 0.02 A 47 GLN HE2y H 1 7.74 0.02 A 47 GLN HE2x H 1 6.72 0.02 A 47 GLN HGx H 1 2.22 0.02 A 47 GLN HGy H 1 2.22 0.02 A 47 GLN C C 13 174.0 0.2 A 47 GLN CA C 13 53.8 0.2 A 47 GLN CB C 13 32.5 0.2 A 47 GLN CG C 13 33.6 0.2 A 47 GLN N N 15 124.1 0.2 A 47 GLN NE2 N 15 111.9 0.2 A 48 ASP H H 1 8.70 0.02 A 48 ASP HA H 1 5.06 0.02 A 48 ASP HBy H 1 2.68 0.02 A 48 ASP HBx H 1 2.49 0.02 A 48 ASP C C 13 175.9 0.2 A 48 ASP CA C 13 53.6 0.02 A 48 ASP CB C 13 42.2 0.02 A 48 ASP N N 15 123.4 0.2 A 49 GLY H H 1 8.22 0.02 A 49 GLY HAy H 1 4.40 0.02 A 49 GLY HAx H 1 4.01 0.02 A 49 GLY C C 13 174.8 0.2 A 49 GLY CA C 13 44.8 0.2 A 49 GLY N N 15 111.1 0.2 A 50 ASP H H 1 8.82 0.02 A 50 ASP HA H 1 4.36 0.02 A 50 ASP HBy H 1 2.72 0.02 A 50 ASP HBx H 1 2.61 0.02 A 50 ASP C C 13 177.6 0.2 A 50 ASP CA C 13 57.1 0.2 A 50 ASP CB C 13 40.5 0.2 A 50 ASP N N 15 121.4 0.2 A 51 GLU H H 1 8.75 0.02 A 51 GLU HA H 1 4.41 0.02 A 51 GLU HBy H 1 2.17 0.02 A 51 GLU HBx H 1 1.82 0.02 A 51 GLU HGx H 1 2.19 0.02 A 51 GLU HGy H 1 2.19 0.02 A 51 GLU C C 13 175.5 0.2 A 51 GLU CA C 13 55.9 0.2 A 51 GLU CB C 13 29.4 0.2 A 51 GLU CG C 13 36.5 0.2 A 51 GLU N N 15 116.4 0.2 A 52 GLY H H 1 7.56 0.02 A 52 GLY HAy H 1 4.58 0.02 A 52 GLY HAx H 1 3.79 0.02 A 52 GLY C C 13 173.8 0.2 A 52 GLY CA C 13 44.1 0.2 A 52 GLY N N 15 108.1 0.2 A 53 THR H H 1 9.76 0.02 A 53 THR HA H 1 4.93 0.02 A 53 THR HB H 1 4.00 0.02 A 53 THR HG2% H 1 1.21 0.02 A 53 THR C C 13 174.8 0.2 A 53 THR CA C 13 61.7 0.2 A 53 THR CB C 13 70.4 0.2 A 53 THR CG2 C 13 22.8 0.2 A 53 THR N N 15 117.4 0.2 A 54 VAL H H 1 8.93 0.02 A 54 VAL HA H 1 4.75 0.02 A 54 VAL HB H 1 1.81 0.02 A 54 VAL HGx% H 1 0.70 0.02 A 54 VAL HGy% H 1 0.64 0.02 A 54 VAL C C 13 174.9 0.2 A 54 VAL CA C 13 59.3 0.2 A 54 VAL CB C 13 35.4 0.2 A 54 VAL CGy C 13 21.1 0.2 A 54 VAL CGx C 13 20.5 0.2 A 54 VAL N N 15 123.6 0.2 A 55 ALA H H 1 8.12 0.02 A 55 ALA HA H 1 5.05 0.02 A 55 ALA HB% H 1 1.26 0.02 A 55 ALA C C 13 174.1 0.2 A 55 ALA CA C 13 50.6 0.2 A 55 ALA CB C 13 20.0 0.2 A 55 ALA N N 15 126.1 0.2 A 56 LEU H H 1 8.94 0.02 A 56 LEU HA H 1 4.83 0.02 A 56 LEU HBy H 1 1.55 0.02 A 56 LEU HBx H 1 1.39 0.02 A 56 LEU HDx% H 1 0.77 0.02 A 56 LEU HDy% H 1 0.74 0.02 A 56 LEU HG H 1 1.45 0.02 A 56 LEU CA C 13 53.9 0.2 A 56 LEU CB C 13 41.9 0.2 A 56 LEU CDy C 13 25.6 0.2 A 56 LEU CDx C 13 24.6 0.2 A 56 LEU CG C 13 27.1 0.2 A 56 LEU N N 15 125.4 0.2 A 57 ILE H H 1 8.35 0.02 A 57 ILE HA H 1 4.57 0.02 A 57 ILE HB H 1 1.51 0.02 A 57 ILE HD1% H 1 0.62 0.02 A 57 ILE HG1y H 1 1.29 0.02 A 57 ILE HG1x H 1 0.78 0.02 A 57 ILE HG2% H 1 0.75 0.02 A 57 ILE C C 13 174.2 0.2 A 57 ILE CA C 13 59.7 0.2 A 57 ILE CB C 13 41.2 0.2 A 57 ILE CD1 C 13 13.9 0.2 A 57 ILE CG1 C 13 26.7 0.2 A 57 ILE CG2 C 13 18.4 0.2 A 57 ILE N N 15 125.3 0.2 A 58 ASP H H 1 8.70 0.02 A 58 ASP HA H 1 5.60 0.02 A 58 ASP HBy H 1 2.40 0.02 A 58 ASP HBx H 1 2.34 0.02 A 58 ASP C C 13 174.8 0.2 A 58 ASP CA C 13 52.7 0.2 A 58 ASP CB C 13 41.7 0.2 A 58 ASP N N 15 128.9 0.2 A 59 MET H H 1 8.33 0.02 A 59 MET HA H 1 5.03 0.02 A 59 MET HBy H 1 1.22 0.02 A 59 MET HBx H 1 1.02 0.02 A 59 MET HE% H 1 1.66 0.02 A 59 MET HGy H 1 2.07 0.02 A 59 MET HGx H 1 2.03 0.02 A 59 MET C C 13 171.6 0.2 A 59 MET CA C 13 53.5 0.2 A 59 MET CB C 13 37.6 0.2 A 59 MET CE C 13 16.6 0.2 A 59 MET CG C 13 31.6 0.2 A 59 MET N N 15 124.1 0.2 A 60 THR H H 1 7.97 0.02 A 60 THR HA H 1 4.30 0.02 A 60 THR HB H 1 2.97 0.02 A 60 THR HG2% H 1 0.99 0.02 A 60 THR C C 13 171.5 0.2 A 60 THR CA C 13 58.5 0.2 A 60 THR CB C 13 72.3 0.2 A 60 THR CG2 C 13 17.8 0.2 A 60 THR N N 15 117.3 0.2 A 61 LEU H H 1 7.16 0.02 A 61 LEU HA H 1 4.98 0.02 A 61 LEU HBy H 1 1.91 0.02 A 61 LEU HBx H 1 1.69 0.02 A 61 LEU CA C 13 52.9 0.2 A 61 LEU CB C 13 46.0 0.2 A 61 LEU CDx C 13 23.5 0.2 A 61 LEU CDy C 13 23.5 0.2 A 61 LEU CG C 13 26.6 0.2 A 61 LEU N N 15 113.3 0.2 A 62 THR H H 1 8.45 0.02 A 62 THR HA H 1 3.33 0.02 A 62 THR HB H 1 3.77 0.02 A 62 THR HG2% H 1 0.03 0.02 A 62 THR C C 13 175.8 0.2 A 62 THR CA C 13 63.9 0.2 A 62 THR CB C 13 69.0 0.2 A 62 THR CG2 C 13 20.6 0.2 A 62 THR N N 15 109.1 0.2 A 63 SER H H 1 7.22 0.02 A 63 SER HA H 1 4.69 0.02 A 63 SER HBy H 1 4.07 0.02 A 63 SER HBx H 1 3.91 0.02 A 63 SER C C 13 173.9 0.2 A 63 SER CA C 13 57.3 . A 63 SER CB C 13 65.2 0.2 A 63 SER N N 15 111.1 0.2 A 64 ALA H H 1 8.75 0.02 A 64 ALA HA H 1 3.88 0.02 A 64 ALA HB% H 1 1.02 0.02 A 64 ALA C C 13 177.5 0.2 A 64 ALA CA C 13 53.3 0.2 A 64 ALA CB C 13 17.8 0.2 A 64 ALA N N 15 124.1 0.2 A 65 ALA H H 1 7.66 0.02 A 65 ALA HA H 1 4.11 0.02 A 65 ALA HB% H 1 1.23 0.02 A 65 ALA C C 13 176.9 0.2 A 65 ALA CA C 13 52.0 0.2 A 65 ALA CB C 13 18.6 0.2 A 65 ALA N N 15 118.9 0.2 A 66 CYS H H 1 7.45 0.02 A 66 CYS HA H 1 4.57 0.02 A 66 CYS HBy H 1 3.09 0.02 A 66 CYS HBx H 1 2.95 0.02 A 66 CYS CA C 13 56.5 0.2 A 66 CYS CB C 13 27.4 0.2 A 66 CYS N N 15 120.0 0.2 A 67 PRO HA H 1 4.72 0.02 A 67 PRO HBy H 1 2.24 0.02 A 67 PRO HBx H 1 2.02 0.02 A 67 PRO HDx H 1 3.81 0.02 A 67 PRO HDy H 1 3.81 0.02 A 67 PRO HGx H 1 1.53 0.02 A 67 PRO HGy H 1 1.53 0.02 A 67 PRO C C 13 177.5 0.2 A 67 PRO CA C 13 64.1 0.2 A 67 PRO CB C 13 30.8 0.2 A 67 PRO CD C 13 50.9 0.2 A 67 PRO CG C 13 26.7 0.2 A 68 LEU H H 1 7.42 0.02 A 68 LEU HA H 1 4.56 0.02 A 68 LEU HBy H 1 1.73 0.02 A 68 LEU HBx H 1 1.63 0.02 A 68 LEU HDx% H 1 0.85 0.02 A 68 LEU HDy% H 1 0.85 0.02 A 68 LEU C C 13 176.5 0.2 A 68 LEU CA C 13 55.2 0.2 A 68 LEU CB C 13 42.2 0.2 A 68 LEU CDx C 13 22.8 0.2 A 68 LEU CDy C 13 22.8 0.2 A 68 LEU CG C 13 26.2 0.2 A 68 LEU N N 15 120.4 0.2 A 69 THR H H 1 7.84 0.02 A 69 THR HA H 1 3.56 0.02 A 69 THR HB H 1 3.71 0.02 A 69 THR HG2% H 1 0.27 0.02 A 69 THR C C 13 176.4 0.2 A 69 THR CA C 13 65.9 0.2 A 69 THR CB C 13 68.0 0.2 A 69 THR CG2 C 13 20.5 0.2 A 69 THR N N 15 112.5 0.2 A 70 ASP H H 1 8.23 0.02 A 70 ASP HA H 1 4.45 0.02 A 70 ASP HBy H 1 2.77 0.02 A 70 ASP HBx H 1 2.71 0.02 A 70 ASP C C 13 178.2 0.2 A 70 ASP CA C 13 57.6 0.2 A 70 ASP CB C 13 39.8 0.2 A 70 ASP N N 15 119.7 0.2 A 71 VAL H H 1 7.63 0.02 A 71 VAL HA H 1 4.07 0.02 A 71 VAL HB H 1 2.19 0.02 A 71 VAL HGx% H 1 1.14 0.02 A 71 VAL HGy% H 1 1.06 0.02 A 71 VAL C C 13 176.0 0.2 A 71 VAL CA C 13 65.1 0.2 A 71 VAL CB C 13 32.1 0.2 A 71 VAL CGy C 13 22.2 0.2 A 71 VAL CGx C 13 21.2 0.2 A 71 VAL N N 15 119.4 0.2 A 72 ILE H H 1 8.08 0.02 A 72 ILE HA H 1 3.84 0.02 A 72 ILE HB H 1 2.31 0.02 A 72 ILE HD1% H 1 0.78 0.02 A 72 ILE HG1y H 1 1.66 0.02 A 72 ILE HG1x H 1 1.39 0.02 A 72 ILE HG2% H 1 0.96 0.02 A 72 ILE C C 13 179.7 0.2 A 72 ILE CA C 13 64.3 0.2 A 72 ILE CB C 13 36.5 0.2 A 72 ILE CD1 C 13 11.2 0.2 A 72 ILE CG1 C 13 29.1 0.2 A 72 ILE CG2 C 13 17.9 0.2 A 72 ILE N N 15 121.1 0.2 A 73 GLU H H 1 8.99 0.02 A 73 GLU HA H 1 3.89 0.02 A 73 GLU HBy H 1 2.42 0.02 A 73 GLU HBx H 1 2.35 0.02 A 73 GLU HGy H 1 2.77 0.02 A 73 GLU HGx H 1 2.42 0.02 A 73 GLU C C 13 178.2 0.2 A 73 GLU CA C 13 61.3 0.2 A 73 GLU CB C 13 28.8 0.2 A 73 GLU CG C 13 37.0 0.2 A 73 GLU N N 15 124.6 0.2 A 74 ASP H H 1 8.58 0.02 A 74 ASP HA H 1 4.49 0.02 A 74 ASP HBy H 1 2.92 0.02 A 74 ASP HBx H 1 2.80 0.02 A 74 ASP C C 13 179.4 0.2 A 74 ASP CA C 13 57.3 0.2 A 74 ASP CB C 13 41.0 0.2 A 74 ASP N N 15 119.4 0.2 A 75 GLN H H 1 8.18 0.02 A 75 GLN HA H 1 4.22 0.02 A 75 GLN HBy H 1 2.33 0.02 A 75 GLN HBx H 1 2.24 0.02 A 75 GLN HE2y H 1 7.67 0.02 A 75 GLN HE2x H 1 6.51 0.02 A 75 GLN HGy H 1 2.93 0.02 A 75 GLN HGx H 1 2.41 0.02 A 75 GLN C C 13 179.4 0.2 A 75 GLN CA C 13 59.2 0.2 A 75 GLN CB C 13 32.8 0.2 A 75 GLN CG C 13 35.7 0.2 A 75 GLN N N 15 117.3 0.2 A 75 GLN NE2 N 15 108.9 0.2 A 76 SER H H 1 8.51 0.02 A 76 SER HA H 1 4.42 0.02 A 76 SER HBy H 1 4.11 0.02 A 76 SER HBx H 1 3.88 0.02 A 76 SER CA C 13 62.9 0.2 A 76 SER CB C 13 63.9 0.2 A 76 SER N N 15 117.5 0.2 A 77 ARG H H 1 8.62 0.02 A 77 ARG HA H 1 3.81 0.02 A 77 ARG HBx H 1 2.05 0.02 A 77 ARG HBy H 1 2.05 0.02 A 77 ARG HGy H 1 1.70 0.02 A 77 ARG HGx H 1 1.62 0.02 A 77 ARG C C 13 179.1 0.2 A 77 ARG CA C 13 61.1 0.2 A 77 ARG CB C 13 29.5 0.2 A 77 ARG CD C 13 42.5 0.2 A 77 ARG CG C 13 28.9 0.2 A 77 ARG N N 15 122.5 0.2 A 78 SER H H 1 8.25 0.02 A 78 SER HA H 1 4.23 0.02 A 78 SER HBx H 1 4.02 0.02 A 78 SER HBy H 1 4.02 0.02 A 78 SER CA C 13 62.4 0.2 A 78 SER CB C 13 63.8 0.2 A 78 SER N N 15 116.3 0.2 A 79 ALA HA H 1 4.22 0.02 A 79 ALA HB% H 1 1.40 0.02 A 79 ALA C C 13 179.6 0.2 A 79 ALA CA C 13 54.6 0.2 A 79 ALA CB C 13 18.6 0.2 A 80 LEU H H 1 8.12 0.02 A 80 LEU HBy H 1 1.80 0.02 A 80 LEU HBx H 1 1.26 0.02 A 80 LEU HG H 1 0.82 0.02 A 80 LEU C C 13 175.1 0.2 A 80 LEU CA C 13 57.0 0.2 A 80 LEU CB C 13 43.0 0.2 A 80 LEU CG C 13 25.8 0.2 A 80 LEU N N 15 115.9 0.2 A 81 VAL H H 1 8.31 0.02 A 81 VAL HA H 1 4.56 0.02 A 81 VAL HB H 1 2.31 0.02 A 81 VAL HGx% H 1 0.83 0.02 A 81 VAL HGy% H 1 0.83 0.02 A 81 VAL C C 13 181.6 0.2 A 81 VAL CA C 13 63.3 0.2 A 81 VAL CB C 13 31.8 0.2 A 81 VAL CGx C 13 22.0 0.2 A 81 VAL CGy C 13 22.0 0.2 A 81 VAL N N 15 118.6 0.2 A 82 GLY H H 1 8.60 0.02 A 82 GLY HAy H 1 4.21 0.02 A 82 GLY HAx H 1 3.93 0.02 A 82 GLY C C 13 175.3 0.2 A 82 GLY CA C 13 47.5 0.2 A 82 GLY N N 15 110.2 0.2 A 83 SER H H 1 6.78 0.02 A 83 SER HA H 1 4.38 0.02 A 83 SER HBy H 1 4.06 0.02 A 83 SER HBx H 1 3.88 0.02 A 83 SER C C 13 175.8 0.2 A 83 SER CA C 13 57.9 0.2 A 83 SER CB C 13 64.5 . A 83 SER N N 15 110.0 0.2 A 84 GLY H H 1 7.89 0.02 A 84 GLY HAy H 1 4.17 0.02 A 84 GLY HAx H 1 3.98 0.02 A 84 GLY C C 13 174.5 0.2 A 84 GLY CA C 13 45.2 0.2 A 84 GLY N N 15 109.8 0.2 A 85 LEU H H 1 7.49 0.02 A 85 LEU HA H 1 4.06 0.02 A 85 LEU HBy H 1 2.02 0.02 A 85 LEU HBx H 1 1.45 0.02 A 85 LEU HDx% H 1 0.87 0.02 A 85 LEU HDy% H 1 0.83 0.02 A 85 LEU HG H 1 1.67 0.02 A 85 LEU C C 13 177.1 0.2 A 85 LEU CA C 13 58.4 0.2 A 85 LEU CB C 13 42.9 0.2 A 85 LEU CDx C 13 24.3 0.2 A 85 LEU CDy C 13 24.3 0.2 A 85 LEU N N 15 121.3 0.2 A 86 VAL H H 1 7.57 0.02 A 86 VAL HA H 1 4.59 0.02 A 86 VAL HB H 1 2.28 0.02 A 86 VAL HG1% H 1 0.78 0.02 A 86 VAL HG2% H 1 0.57 0.02 A 86 VAL C C 13 174.6 0.2 A 86 VAL CA C 13 58.3 0.2 A 86 VAL CB C 13 35.3 0.2 A 86 VAL CGy C 13 22.9 0.2 A 86 VAL CGx C 13 19.9 0.2 A 86 VAL N N 15 105.5 0.2 A 87 ASP H H 1 8.36 0.02 A 87 ASP HA H 1 4.65 0.02 A 87 ASP HBy H 1 2.86 0.02 A 87 ASP HBx H 1 2.77 0.02 A 87 ASP C C 13 175.7 0.2 A 87 ASP CA C 13 56.8 . A 87 ASP CB C 13 42.4 0.2 A 87 ASP N N 15 117.8 0.2 A 88 ASP H H 1 8.01 0.02 A 88 ASP HA H 1 4.79 0.02 A 88 ASP HBy H 1 2.36 0.02 A 88 ASP C C 13 173.5 0.2 A 88 ASP CA C 13 52.6 0.2 A 88 ASP CB C 13 43.5 0.2 A 88 ASP N N 15 115.0 0.2 A 89 ILE H H 1 8.87 0.02 A 89 ILE HA H 1 5.34 0.02 A 89 ILE HB H 1 1.61 0.02 A 89 ILE HD1% H 1 0.70 0.02 A 89 ILE HG1y H 1 1.37 0.02 A 89 ILE HG1x H 1 0.83 0.02 A 89 ILE HG2% H 1 0.84 0.02 A 89 ILE C C 13 173.8 0.2 A 89 ILE CA C 13 58.5 0.2 A 89 ILE CB C 13 42.4 0.2 A 89 ILE CD1 C 13 15.4 0.2 A 89 ILE CG1 C 13 26.0 0.2 A 89 ILE CG2 C 13 18.8 0.2 A 89 ILE N N 15 112.7 0.2 A 90 ARG H H 1 8.69 0.02 A 90 ARG HA H 1 4.43 0.02 A 90 ARG HBy H 1 1.65 0.02 A 90 ARG HBx H 1 1.56 0.02 A 90 ARG HDy H 1 3.02 0.02 A 90 ARG HGy H 1 1.44 0.02 A 90 ARG HGx H 1 1.37 0.02 A 90 ARG C C 13 174.8 0.2 A 90 ARG CA C 13 55.5 0.2 A 90 ARG CB C 13 32.7 0.2 A 90 ARG CD C 13 43.5 0.2 A 90 ARG CG C 13 27.1 0.2 A 90 ARG N N 15 121.7 0.2 A 90 ARG NH1 N 15 73.82 0.02 A 91 ILE H H 1 8.87 0.02 A 91 ILE HA H 1 4.48 0.02 A 91 ILE HB H 1 1.32 0.02 A 91 ILE HD1% H 1 0.71 0.02 A 91 ILE HG1y H 1 1.35 0.02 A 91 ILE HG1x H 1 0.54 0.02 A 91 ILE HG2% H 1 -0.64 0.02 A 91 ILE C C 13 174.6 0.2 A 91 ILE CA C 13 60.5 0.2 A 91 ILE CB C 13 38.8 0.2 A 91 ILE CD1 C 13 13.5 0.2 A 91 ILE CG1 C 13 28.4 0.2 A 91 ILE CG2 C 13 15.6 0.2 A 91 ILE N N 15 125.7 0.2 A 92 ASN H H 1 9.24 0.02 A 92 ASN HA H 1 4.76 0.02 A 92 ASN HBy H 1 3.03 0.02 A 92 ASN HBx H 1 2.61 0.02 A 92 ASN HD2y H 1 7.75 0.02 A 92 ASN HD2x H 1 6.56 0.02 A 92 ASN C C 13 172.8 0.2 A 92 ASN CA C 13 51.2 0.2 A 92 ASN CB C 13 39.0 0.2 A 92 ASN N N 15 129.2 0.2 A 92 ASN ND2 N 15 114.4 0.2 A 93 TRP H H 1 8.21 0.02 A 93 TRP HA H 1 4.89 0.02 A 93 TRP HBy H 1 3.10 0.02 A 93 TRP HBx H 1 2.93 0.02 A 93 TRP HD1 H 1 7.34 0.02 A 93 TRP HE1 H 1 10.69 0.02 A 93 TRP HZ2 H 1 7.41 0.02 A 93 TRP CA C 13 56.5 0.2 A 93 TRP CB C 13 28.8 0.2 A 93 TRP N N 15 126.6 0.2 A 93 TRP NE1 N 15 127.7 0.2 A 94 VAL H H 1 8.63 0.02 A 94 VAL HA H 1 4.35 0.02 A 94 VAL HB H 1 1.95 0.02 A 94 VAL HGx% H 1 0.84 0.02 A 94 VAL HGy% H 1 0.58 0.02 A 94 VAL CA C 13 59.6 0.2 A 94 VAL CB C 13 35.2 0.2 A 94 VAL CGy C 13 21.8 0.2 A 94 VAL CGx C 13 19.1 0.2 A 94 VAL N N 15 121.1 0.2 A 95 TRP H H 1 8.56 0.02 A 95 TRP HA H 1 4.93 0.02 A 95 TRP HBy H 1 3.81 0.02 A 95 TRP HBx H 1 2.78 0.02 A 95 TRP HD1 H 1 7.22 0.02 A 95 TRP HE1 H 1 10.02 0.02 A 95 TRP HH2 H 1 6.88 0.02 A 95 TRP HZ2 H 1 7.24 0.02 A 95 TRP CA C 13 55.4 0.2 A 95 TRP CB C 13 31.4 0.2 A 95 TRP CD1 C 13 128.0 0.2 A 95 TRP CH2 C 13 124.4 0.2 A 95 TRP CZ2 C 13 114.1 0.2 A 95 TRP N N 15 118.3 0.2 A 95 TRP NE1 N 15 127.7 0.2 A 96 ASN H H 1 7.27 0.02 A 96 ASN HBy H 1 2.84 0.02 A 96 ASN HBx H 1 2.70 0.02 A 96 ASN HD2y H 1 7.81 0.02 A 96 ASN HD2x H 1 7.08 0.02 A 96 ASN CA C 13 50.4 0.2 A 96 ASN CB C 13 42.3 0.2 A 96 ASN N N 15 116.9 0.2 A 96 ASN ND2 N 15 113.3 0.2 A 99 TRP HA H 1 4.06 0.02 A 99 TRP HBy H 1 1.76 0.02 A 99 TRP HBx H 1 1.66 0.02 A 99 TRP HE1 H 1 10.65 0.02 A 99 TRP HH2 H 1 6.97 0.02 A 99 TRP HZ2 H 1 7.30 0.02 A 99 TRP C C 13 176.4 0.2 A 99 TRP CA C 13 60.9 0.2 A 99 TRP CB C 13 28.8 0.2 A 99 TRP CD1 C 13 126.1 0.2 A 99 TRP CH2 C 13 123.2 0.2 A 99 TRP CZ2 C 13 114.7 0.2 A 99 TRP NE1 N 15 130.8 0.2 A 100 GLY H H 1 5.75 0.02 A 100 GLY HA2 H 1 3.67 0.02 A 100 GLY HA3 H 1 3.58 0.02 A 100 GLY CA C 13 44.9 0.2 A 100 GLY N N 15 112.4 0.2 A 101 PRO HA H 1 3.76 0.02 A 101 PRO HBy H 1 2.15 0.02 A 101 PRO HBx H 1 1.95 0.02 A 101 PRO HDy H 1 3.46 0.02 A 101 PRO HDx H 1 3.20 0.02 A 101 PRO HGx H 1 1.93 0.02 A 101 PRO HGy H 1 1.93 0.02 A 101 PRO C C 13 176.8 0.2 A 101 PRO CA C 13 63.8 0.2 A 101 PRO CB C 13 31.4 0.2 A 101 PRO CD C 13 49.3 0.2 A 101 PRO CG C 13 27.1 0.2 A 102 ASP H H 1 8.45 0.02 A 102 ASP HBx H 1 2.53 0.02 A 102 ASP HBy H 1 2.53 0.02 A 102 ASP C C 13 176.6 0.2 A 102 ASP CA C 13 55.4 0.2 A 102 ASP CB C 13 39.4 0.2 A 102 ASP N N 15 117.2 0.2 A 103 LYS H H 1 7.73 0.02 A 103 LYS HA H 1 4.13 0.02 A 103 LYS HBy H 1 2.29 0.02 A 103 LYS HBx H 1 1.81 0.02 A 103 LYS HGy H 1 1.44 0.02 A 103 LYS HGx H 1 1.33 0.02 A 103 LYS C C 13 175.6 0.2 A 103 LYS CA C 13 56.0 0.2 A 103 LYS CB C 13 32.3 0.2 A 103 LYS CD C 13 28.6 0.2 A 103 LYS CE C 13 41.9 0.2 A 103 LYS CG C 13 25.6 0.2 A 103 LYS N N 15 117.0 0.2 A 104 ILE H H 1 7.04 0.02 A 104 ILE HA H 1 4.13 0.02 A 104 ILE HB H 1 1.73 0.02 A 104 ILE HD1% H 1 1.03 0.02 A 104 ILE HG2% H 1 1.28 0.02 A 104 ILE C C 13 177.7 0.2 A 104 ILE CA C 13 62.2 0.2 A 104 ILE CB C 13 38.3 0.2 A 104 ILE CD1 C 13 13.8 0.2 A 104 ILE CG1 C 13 29.5 0.2 A 104 ILE CG2 C 13 17.5 0.2 A 104 ILE N N 15 119.2 0.2 A 105 THR H H 1 8.88 0.02 A 105 THR HA H 1 4.20 0.02 A 105 THR HB H 1 4.94 0.02 A 105 THR HG2% H 1 1.61 0.02 A 105 THR C C 13 175.4 0.2 A 105 THR CA C 13 61.5 0.2 A 105 THR CB C 13 71.6 0.2 A 105 THR CG2 C 13 22.1 0.2 A 105 THR N N 15 118.9 0.2 A 106 GLU H H 1 9.07 0.02 A 106 GLU HA H 1 4.03 0.02 A 106 GLU HBy H 1 2.11 0.02 A 106 GLU HGx H 1 2.42 0.02 A 106 GLU HGy H 1 2.42 0.02 A 106 GLU C C 13 179.3 0.2 A 106 GLU CA C 13 60.3 0.2 A 106 GLU CB C 13 29.0 0.2 A 106 GLU CG C 13 36.1 0.2 A 106 GLU N N 15 121.0 0.2 A 107 ASP H H 1 8.58 0.02 A 107 ASP HA H 1 4.50 0.02 A 107 ASP HBx H 1 2.56 0.02 A 107 ASP HBy H 1 2.56 0.02 A 107 ASP CA C 13 57.2 0.2 A 107 ASP CB C 13 40.5 0.2 A 107 ASP N N 15 118.4 0.2 A 108 GLY H H 1 8.47 0.02 A 108 GLY HAy H 1 3.51 0.02 A 108 GLY C C 13 174.9 0.2 A 108 GLY CA C 13 47.5 0.2 A 108 GLY N N 15 108.8 0.2 A 109 ARG H H 1 8.76 0.02 A 109 ARG HA H 1 3.90 0.02 A 109 ARG HBy H 1 2.05 0.02 A 109 ARG HBx H 1 1.84 0.02 A 109 ARG HDx H 1 3.38 0.02 A 109 ARG HDy H 1 3.38 0.02 A 109 ARG HGx H 1 1.46 0.02 A 109 ARG HGy H 1 1.46 0.02 A 109 ARG C C 13 178.7 0.2 A 109 ARG CA C 13 60.3 0.2 A 109 ARG CB C 13 30.1 0.2 A 109 ARG CD C 13 43.4 0.2 A 109 ARG CG C 13 28.9 0.2 A 109 ARG N N 15 121.7 0.2 A 110 GLU H H 1 7.98 0.02 A 110 GLU HA H 1 4.15 0.02 A 110 GLU HBx H 1 2.20 0.02 A 110 GLU HBy H 1 2.20 0.02 A 110 GLU CA C 13 59.2 0.2 A 110 GLU CB C 13 29.3 0.2 A 110 GLU N N 15 119.4 0.2 A 111 GLN H H 1 8.19 0.02 A 111 GLN HBy H 1 2.57 0.02 A 111 GLN HBx H 1 2.22 0.02 A 111 GLN HE2y H 1 7.16 0.02 A 111 GLN HE2x H 1 6.45 0.02 A 111 GLN HGy H 1 2.67 0.02 A 111 GLN HGx H 1 2.37 0.02 A 111 GLN CA C 13 59.2 0.2 A 111 GLN CB C 13 29.4 0.2 A 111 GLN CG C 13 34.5 0.2 A 111 GLN N N 15 120.0 0.2 A 111 GLN NE2 N 15 109.9 0.2 A 112 LEU HA H 1 4.16 0.02 A 112 LEU HBy H 1 2.02 0.02 A 112 LEU HBx H 1 1.50 0.02 A 112 LEU HDx% H 1 0.83 0.02 A 112 LEU HDy% H 1 0.70 0.02 A 112 LEU CB C 13 41.6 0.2 A 113 ARG H H 1 8.43 0.02 A 113 ARG HA H 1 4.42 0.02 A 113 ARG HBx H 1 1.99 0.02 A 113 ARG HBy H 1 1.99 0.02 A 113 ARG HDx H 1 3.30 0.02 A 113 ARG HDy H 1 3.30 0.02 A 113 ARG C C 13 179.2 0.2 A 113 ARG CA C 13 59.5 0.2 A 113 ARG CB C 13 29.9 0.2 A 113 ARG CD C 13 43.5 0.2 A 113 ARG CG C 13 27.7 0.2 A 113 ARG N N 15 120.6 0.2 A 114 ALA H H 1 7.93 0.02 A 114 ALA HA H 1 4.23 0.02 A 114 ALA HB% H 1 1.59 0.02 A 114 ALA CA C 13 54.6 0.2 A 114 ALA CB C 13 17.9 0.2 A 114 ALA N N 15 122.5 0.2 A 115 LEU H H 1 7.54 0.02 A 115 LEU HA H 1 4.37 0.02 A 115 LEU HB2 H 1 2.10 0.02 A 115 LEU HB3 H 1 1.74 0.02 A 115 LEU HG H 1 1.03 0.02 A 115 LEU C C 13 177.2 0.2 A 115 LEU CA C 13 55.1 0.2 A 115 LEU CB C 13 42.9 0.2 A 115 LEU CDx C 13 22.3 0.2 A 115 LEU CDy C 13 22.3 0.2 A 115 LEU CG C 13 25.9 0.2 A 115 LEU N N 15 117.0 0.2 A 116 GLY H H 1 7.89 0.02 A 116 GLY HA2 H 1 4.17 0.02 A 116 GLY HA3 H 1 3.76 0.02 A 116 GLY CA C 13 45.2 0.2 A 116 GLY N N 15 106.3 0.2 A 118 THR H H 1 8.58 0.02 A 118 THR HA H 1 4.16 0.02 A 118 THR HG2% H 1 1.21 0.02 A 118 THR C C 13 173.3 0.2 A 118 THR CA C 13 62.0 0.2 A 118 THR CB C 13 69.6 0.2 A 118 THR CG2 C 13 21.5 0.2 A 118 THR N N 15 118.4 0.2 A 119 VAL H H 1 7.74 0.02 A 119 VAL HA H 1 4.15 0.02 A 119 VAL HB H 1 2.16 0.02 A 119 VAL HGx% H 1 0.95 0.02 A 119 VAL HGy% H 1 0.95 0.02 A 119 VAL CA C 13 62.7 0.2 A 119 VAL CB C 13 33.8 0.2 A 119 VAL CGx C 13 21.9 0.2 A 119 VAL CGy C 13 21.9 0.2 A 119 VAL N N 15 127.2 0.2 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 10 ALA HB% A 11 PRO HDy 1.0 1.8 3.73 2 2 A 10 ALA HB% A 11 PRO HDx 1.0 1.8 3.73 3 3 A 10 ALA HB% A 11 PRO HGx 1.0 1.8 3.94 4 4 A 11 PRO HA A 12 ALA H 1.0 1.8 3.41 5 5 A 11 PRO HGx A 10 ALA HA 1.0 1.8 5.27 6 6 A 10 ALA HA A 11 PRO HGy 1.0 1.8 5.63 7 7 A 12 ALA H A 11 PRO HGy 1.0 1.8 5.78 8 8 A 13 GLU HA A 13 GLU HGx 1.0 1.8 4.21 9 9 A 13 GLU HA A 13 GLU HGy 1.0 1.8 4.21 10 10 A 14 GLU HA A 14 GLU HGx 1.0 1.8 4.08 11 11 A 14 GLU HA A 14 GLU HGy 1.0 1.8 4.08 12 12 A 15 LEU HA A 18 ASP HBx 1.0 1.8 4.83 13 13 A 15 LEU HBx A 16 LEU H 1.0 1.8 4.55 14 14 A 16 LEU H A 15 LEU HBy 1.0 1.8 4.55 15 15 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 3.40 16 16 A 16 LEU HA A 19 VAL HGx% 1.0 1.8 3.93 17 17 A 16 LEU HA A 19 VAL HB 1.0 1.8 4.63 18 18 A 16 LEU H A 16 LEU HBx 1.0 1.8 3.79 19 19 A 16 LEU HA A 16 LEU HG 1.0 1.8 4.33 20 20 A 16 LEU H A 16 LEU HG 1.0 1.8 4.67 21 21 A 17 ALA HB% A 18 ASP H 1.0 1.8 3.57 22 22 A 15 LEU HA A 18 ASP HBy 1.0 1.8 4.83 23 23 A 18 ASP HA A 22 ALA H 1.0 1.8 4.48 24 24 A 22 ALA H A 19 VAL HA 1.0 1.8 4.41 25 25 A 22 ALA H A 19 VAL HGy% 1.0 1.8 5.19 26 26 A 19 VAL HA A 19 VAL HGy% 1.0 1.8 3.50 27 27 A 19 VAL HGx% A 19 VAL HA 1.0 1.8 3.76 28 28 A 20 GLU H A 20 GLU HGx 1.0 1.8 5.63 29 29 A 20 GLU H A 20 GLU HGy 1.0 1.8 5.63 30 30 A 19 VAL HGx% A 20 GLU HA 1.0 1.8 3.71 31 31 A 19 VAL HGy% A 20 GLU HA 1.0 1.8 4.59 32 32 A 21 GLU HA A 21 GLU HGx 1.0 1.8 4.45 33 33 A 22 ALA H A 21 GLU HGy 1.0 1.8 5.27 34 34 A 21 GLU HA A 21 GLU HGy 1.0 1.8 4.45 35 35 A 19 VAL HA A 22 ALA HB% 1.0 1.8 3.78 36 36 A 22 ALA H A 22 ALA HB% 1.0 1.8 3.35 37 37 A 19 VAL HGy% A 23 MET HBy 1.0 1.8 4.26 38 38 A 19 VAL HGy% A 23 MET HBx 1.0 1.8 5.02 39 39 A 20 GLU HA A 23 MET HBy 1.0 1.8 5.06 40 40 A 23 MET HBy A 22 ALA HA 1.0 1.8 5.78 41 41 A 19 VAL HGx% A 23 MET HGy 1.0 1.8 4.24 42 42 A 20 GLU HA A 23 MET HGy 1.0 1.8 5.07 43 43 A 19 VAL HGx% A 23 MET HGx 1.0 1.8 3.72 44 44 A 20 GLU HA A 23 MET HGx 1.0 1.8 4.60 45 45 A 23 MET HA A 23 MET HE% 1.0 1.8 4.46 46 46 A 23 MET HGy A 23 MET HE% 1.0 1.8 3.59 47 47 A 23 MET HGx A 23 MET HE% 1.0 1.8 3.60 48 48 A 19 VAL HGx% A 23 MET HE% 1.0 1.8 3.81 49 49 A 19 VAL HGy% A 23 MET HE% 1.0 1.8 2.97 50 50 A 79 ALA HB% A 25 ASP HBy 1.0 1.8 5.47 51 51 A 79 ALA HB% A 25 ASP HBx 1.0 1.8 5.47 52 52 A 25 ASP H A 25 ASP HBy 1.0 1.8 4.02 53 53 A 23 MET HA A 26 VAL HB 1.0 1.8 5.31 54 54 A 26 VAL HA A 26 VAL HGx% 1.0 1.8 3.92 55 55 A 26 VAL HA A 26 VAL HGy% 1.0 1.8 3.92 56 56 A 27 VAL HB A 28 ASP H 1.0 1.8 4.30 57 57 A 27 VAL H A 27 VAL HGx% 1.0 1.8 3.89 58 58 A 28 ASP H A 27 VAL HGx% 1.0 1.8 4.37 59 59 A 27 VAL HGx% A 34 ASN HA 1.0 1.8 5.07 60 60 A 27 VAL HGx% A 25 ASP HA 1.0 1.8 5.74 61 61 A 27 VAL HGx% A 32 GLY HAy 1.0 1.8 5.18 62 62 A 28 ASP H A 27 VAL HGy% 1.0 1.8 3.90 63 63 A 34 ASN HA A 27 VAL HGy% 1.0 1.8 4.22 64 64 A 27 VAL HGy% A 33 ILE HA 1.0 1.8 4.75 65 65 A 32 GLY HAy A 27 VAL HGy% 1.0 1.8 5.07 66 66 A 28 ASP HBx A 29 PRO HA 1.0 1.8 5.37 67 67 A 29 PRO HBx A 30 GLU H 1.0 1.8 4.71 68 68 A 29 PRO HBx A 24 ARG HA 1.0 1.8 4.80 69 69 A 24 ARG HA A 29 PRO HBy 1.0 1.8 5.78 70 70 A 24 ARG HA A 29 PRO HGy 1.0 1.8 4.10 71 71 A 32 GLY HAy A 33 ILE HD1% 1.0 1.8 4.13 72 72 A 33 ILE HA A 33 ILE HD1% 1.0 1.8 4.48 73 73 A 33 ILE H A 33 ILE HG2% 1.0 1.8 4.83 74 74 A 33 ILE HA A 33 ILE HG2% 1.0 1.8 4.21 75 75 A 34 ASN HA A 27 VAL HA 1.0 1.8 4.03 76 76 A 36 VAL H A 36 VAL HB 1.0 1.8 3.94 77 77 A 36 VAL HB A 37 ASP H 1.0 1.8 4.34 78 78 A 35 VAL HA A 35 VAL HGx% 1.0 1.8 4.16 79 79 A 35 VAL HA A 35 VAL HGy% 1.0 1.8 4.16 80 80 A 36 VAL HA A 36 VAL HGx% 1.0 1.8 4.27 81 81 A 36 VAL HA A 36 VAL HGy% 1.0 1.8 4.27 82 82 A 36 VAL H A 36 VAL HGx% 1.0 1.8 4.40 83 83 A 35 VAL HA A 38 LEU HBx 1.0 1.8 4.89 84 84 A 38 LEU HBx A 39 GLY H 1.0 1.8 4.60 85 85 A 39 GLY H A 38 LEU HBy 1.0 1.8 5.23 86 86 A 36 VAL HA A 41 VAL HB 1.0 1.8 4.61 87 87 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 4.30 88 88 A 41 VAL HA A 41 VAL HGy% 1.0 1.8 4.30 89 89 A 44 LEU H A 43 GLY HAx 1.0 1.8 3.71 90 90 A 45 ASP H A 44 LEU HBx 1.0 1.8 4.81 91 91 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 4.97 92 92 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 4.97 93 93 A 46 VAL HB A 55 ALA HA 1.0 1.8 4.10 94 94 A 55 ALA HA A 46 VAL HGx% 1.0 1.8 4.04 95 95 A 55 ALA HA A 46 VAL HGy% 1.0 1.8 4.04 96 96 A 56 LEU HDx% A 47 GLN HGx 1.0 1.8 4.70 97 97 A 56 LEU HDx% A 47 GLN HGy 1.0 1.8 4.70 98 98 A 48 ASP H A 47 GLN HGx 1.0 1.8 5.78 99 99 A 48 ASP H A 47 GLN HGy 1.0 1.8 5.78 100 100 A 51 GLU HA A 51 GLU HGx 1.0 1.8 4.18 101 101 A 51 GLU HA A 51 GLU HGy 1.0 1.8 4.18 102 102 A 53 THR HA A 53 THR HG2% 1.0 1.8 3.64 103 103 A 53 THR HG2% A 48 ASP HA 1.0 1.8 3.95 104 104 A 53 THR HB A 87 ASP H 1.0 1.8 4.68 105 105 A 53 THR HB A 54 VAL H 1.0 1.8 4.30 106 106 A 53 THR HB A 86 VAL HA 1.0 1.8 4.24 107 107 A 54 VAL H A 54 VAL HB 1.0 1.8 3.98 108 108 A 54 VAL HB A 55 ALA H 1.0 1.8 4.91 109 109 A 54 VAL HA A 54 VAL HGy% 1.0 1.8 3.75 110 110 A 55 ALA H A 54 VAL HGy% 1.0 1.8 4.33 111 111 A 54 VAL H A 54 VAL HGy% 1.0 1.8 4.20 112 112 A 54 VAL HGy% A 88 ASP HBy 1.0 1.8 6.10 113 113 A 54 VAL H A 54 VAL HGx% 1.0 1.8 4.20 114 114 A 55 ALA H A 54 VAL HGx% 1.0 1.8 4.33 115 115 A 54 VAL HA A 54 VAL HGx% 1.0 1.8 3.75 116 116 A 54 VAL HGx% A 88 ASP HBy 1.0 1.8 6.10 117 117 A 55 ALA H A 55 ALA HB% 1.0 1.8 3.62 118 118 A 55 ALA HB% A 56 LEU H 1.0 1.8 3.87 119 119 A 54 VAL HA A 55 ALA HB% 1.0 1.8 4.40 120 120 A 55 ALA HB% A 89 ILE HG2% 1.0 1.8 3.93 121 121 A 57 ILE HD1% A 58 ASP H 1.0 1.8 5.31 122 122 A 57 ILE HD1% A 57 ILE HA 1.0 1.8 4.57 123 123 A 57 ILE HD1% A 57 ILE HB 1.0 1.8 3.59 124 124 A 57 ILE H A 57 ILE HG2% 1.0 1.8 4.53 125 125 A 44 LEU HA A 57 ILE HG2% 1.0 1.8 4.68 126 126 A 57 ILE HG2% A 59 MET HA 1.0 1.8 5.29 127 127 A 57 ILE HA A 57 ILE HG2% 1.0 1.8 3.78 128 128 A 41 VAL HA A 57 ILE HG2% 1.0 1.8 4.83 129 129 A 57 ILE HG2% A 59 MET HGy 1.0 1.8 4.18 130 130 A 57 ILE H A 57 ILE HG1x 1.0 1.8 4.71 131 131 A 56 LEU HDx% A 56 LEU HBx 1.0 1.8 3.95 132 132 A 56 LEU HDx% A 56 LEU HBy 1.0 1.8 3.95 133 133 A 56 LEU H A 56 LEU HG 1.0 1.8 4.22 134 134 A 55 ALA HA A 56 LEU HG 1.0 1.8 4.30 135 135 A 56 LEU HG A 46 VAL HA 1.0 1.8 4.61 136 136 A 55 ALA H A 56 LEU HG 1.0 1.8 5.78 137 137 A 56 LEU H A 56 LEU HDy% 1.0 1.8 4.55 138 138 A 57 ILE H A 56 LEU HDy% 1.0 1.8 4.40 139 139 A 56 LEU HDy% A 56 LEU HA 1.0 1.8 3.72 140 140 A 55 ALA HA A 56 LEU HDy% 1.0 1.8 4.86 141 141 A 56 LEU HDy% A 90 ARG HBx 1.0 1.8 3.92 142 142 A 56 LEU HDx% A 57 ILE H 1.0 1.8 5.47 143 143 A 58 ASP HA A 92 ASN HBy 1.0 1.8 4.97 144 144 A 58 ASP HA A 92 ASN HBx 1.0 1.8 4.97 145 145 A 60 THR H A 59 MET HBy 1.0 1.8 4.92 146 146 A 60 THR H A 59 MET HBx 1.0 1.8 4.92 147 147 A 72 ILE HD1% A 59 MET HBy 1.0 1.8 4.62 148 148 A 91 ILE HG2% A 59 MET HBy 1.0 1.8 4.47 149 149 A 72 ILE HD1% A 59 MET HBx 1.0 1.8 4.62 150 150 A 91 ILE HG2% A 59 MET HGy 1.0 1.8 4.50 151 151 A 91 ILE HG2% A 59 MET HGx 1.0 1.8 4.50 152 152 A 57 ILE HG2% A 59 MET HGx 1.0 1.8 4.18 153 153 A 41 VAL HA A 59 MET HGx 1.0 1.8 5.49 154 154 A 41 VAL HA A 59 MET HGy 1.0 1.8 5.49 155 155 A 60 THR H A 59 MET HE% 1.0 1.8 4.61 156 156 A 59 MET HA A 59 MET HE% 1.0 1.8 4.79 157 157 A 59 MET HE% A 69 THR HA 1.0 1.8 5.41 158 158 A 59 MET HE% A 72 ILE HB 1.0 1.8 3.60 159 159 A 72 ILE HD1% A 59 MET HE% 1.0 1.8 3.05 160 160 A 65 ALA HB% A 66 CYS H 1.0 1.8 4.14 161 161 A 67 PRO HDx A 66 CYS HBy 1.0 1.8 4.57 162 162 A 67 PRO HDx A 66 CYS HBx 1.0 1.8 4.57 163 163 A 66 CYS HA A 67 PRO HGx 1.0 1.8 5.40 164 164 A 66 CYS HA A 67 PRO HGy 1.0 1.8 5.78 165 165 A 66 CYS H A 67 PRO HDx 1.0 1.8 5.57 166 166 A 66 CYS H A 67 PRO HDy 1.0 1.8 5.78 167 167 A 67 PRO HDx A 66 CYS HA 1.0 1.8 3.86 168 168 A 66 CYS HA A 67 PRO HDy 1.0 1.8 4.17 169 169 A 68 LEU H A 69 THR HB 1.0 1.8 4.59 170 170 A 72 ILE HD1% A 69 THR HA 1.0 1.8 4.60 171 171 A 69 THR HA A 72 ILE HB 1.0 1.8 5.55 172 172 A 69 THR HA A 68 LEU H 1.0 1.8 4.90 173 173 A 69 THR HA A 69 THR HG2% 1.0 1.8 3.77 174 174 A 68 LEU H A 69 THR HG2% 1.0 1.8 4.32 175 175 A 71 VAL HA A 74 ASP HBx 1.0 1.8 3.87 176 176 A 59 MET HE% A 72 ILE HA 1.0 1.8 4.66 177 177 A 72 ILE HA A 72 ILE HG2% 1.0 1.8 3.71 178 178 A 72 ILE HA A 74 ASP H 1.0 1.8 4.99 179 179 A 72 ILE HD1% A 72 ILE HA 1.0 1.8 4.12 180 180 A 72 ILE HD1% A 72 ILE HB 1.0 1.8 3.73 181 181 A 72 ILE HD1% A 72 ILE HG2% 1.0 1.8 3.34 182 182 A 73 GLU HA A 73 GLU HGy 1.0 1.8 3.79 183 183 A 73 GLU HA A 91 ILE HD1% 1.0 1.8 3.66 184 184 A 73 GLU HA A 77 ARG H 1.0 1.8 4.60 185 185 A 77 ARG H A 73 GLU HBx 1.0 1.8 5.33 186 186 A 70 ASP HA A 73 GLU HBy 1.0 1.8 4.37 187 187 A 73 GLU HBx A 70 ASP HA 1.0 1.8 4.45 188 188 A 73 GLU HBy A 74 ASP HBy 1.0 1.8 4.78 189 189 A 91 ILE HD1% A 73 GLU HBy 1.0 1.8 4.75 190 190 A 73 GLU HGy A 73 GLU H 1.0 1.8 4.43 191 191 A 73 GLU HGy A 77 ARG H 1.0 1.8 5.78 192 192 A 73 GLU HGy A 70 ASP HA 1.0 1.8 5.71 193 193 A 70 ASP HA A 73 GLU HGx 1.0 1.8 4.78 194 194 A 73 GLU HA A 73 GLU HGx 1.0 1.8 4.39 195 195 A 91 ILE HD1% A 73 GLU HGx 1.0 1.8 4.25 196 196 A 73 GLU HGx A 91 ILE HB 1.0 1.8 5.20 197 197 A 71 VAL HA A 74 ASP HBy 1.0 1.8 4.10 198 198 A 75 GLN HA A 75 GLN HGy 1.0 1.8 3.95 199 199 A 75 GLN HA A 75 GLN HGx 1.0 1.8 3.95 200 200 A 76 SER H A 76 SER HBx 1.0 1.8 4.29 201 201 A 80 LEU H A 80 LEU HG 1.0 1.8 4.19 202 202 A 81 VAL HB A 82 GLY H 1.0 1.8 4.24 203 203 A 81 VAL HA A 81 VAL HGx% 1.0 1.8 4.43 204 204 A 81 VAL HA A 81 VAL HGy% 1.0 1.8 4.43 205 205 A 85 LEU HA A 85 LEU HG 1.0 1.8 4.26 206 206 A 18 ASP HBy A 85 LEU HDy% 1.0 1.8 4.83 207 207 A 18 ASP HBx A 85 LEU HDy% 1.0 1.8 4.83 208 208 A 18 ASP HBy A 85 LEU HDx% 1.0 1.8 4.83 209 209 A 85 LEU HDx% A 18 ASP HBx 1.0 1.8 4.83 210 210 A 55 ALA HB% A 86 VAL HB 1.0 1.8 4.88 211 211 A 87 ASP H A 86 VAL HG2% 1.0 1.8 4.43 212 212 A 86 VAL HA A 86 VAL HG2% 1.0 1.8 3.93 213 213 A 55 ALA HB% A 86 VAL HG2% 1.0 1.8 3.29 214 214 A 86 VAL HA A 86 VAL HG1% 1.0 1.8 3.93 215 215 A 55 ALA HB% A 86 VAL HG1% 1.0 1.8 3.29 216 216 A 53 THR H A 87 ASP HBx 1.0 1.8 5.23 217 217 A 89 ILE HG2% A 81 VAL H 1.0 1.8 4.98 218 218 A 89 ILE HG2% A 80 LEU H 1.0 1.8 5.20 219 219 A 89 ILE HG2% A 89 ILE HA 1.0 1.8 3.83 220 220 A 89 ILE HG2% A 88 ASP HA 1.0 1.8 4.59 221 221 A 89 ILE HG2% A 77 ARG HA 1.0 1.8 4.24 222 222 A 89 ILE HG2% A 80 LEU HBy 1.0 1.8 3.72 223 223 A 89 ILE HG2% A 80 LEU HBx 1.0 1.8 3.30 224 224 A 89 ILE HG2% A 77 ARG HBx 1.0 1.8 5.21 225 225 A 89 ILE HG2% A 77 ARG HBy 1.0 1.8 5.21 226 226 A 89 ILE HG2% A 81 VAL HB 1.0 1.8 5.71 227 227 A 81 VAL H A 89 ILE HD1% 1.0 1.8 5.78 228 228 A 89 ILE HA A 89 ILE HD1% 1.0 1.8 5.10 229 229 A 89 ILE HD1% A 90 ARG HA 1.0 1.8 4.92 230 230 A 73 GLU HGx A 89 ILE HD1% 1.0 1.8 5.78 231 231 A 73 GLU HBx A 89 ILE HD1% 1.0 1.8 5.31 232 232 A 73 GLU HGy A 89 ILE HD1% 1.0 1.8 5.68 233 233 A 89 ILE HD1% A 77 ARG HBx 1.0 1.8 5.08 234 234 A 89 ILE HD1% A 77 ARG HBy 1.0 1.8 5.08 235 235 A 80 LEU HBy A 89 ILE HD1% 1.0 1.8 4.47 236 236 A 89 ILE HD1% A 89 ILE HB 1.0 1.8 3.70 237 237 A 56 LEU HDy% A 90 ARG HBy 1.0 1.8 3.92 238 238 A 91 ILE H A 90 ARG HBx 1.0 1.8 5.08 239 239 A 57 ILE HG2% A 91 ILE HA 1.0 1.8 4.52 240 240 A 57 ILE HB A 91 ILE HA 1.0 1.8 4.29 241 241 A 91 ILE HD1% A 91 ILE HB 1.0 1.8 4.02 242 242 A 57 ILE H A 91 ILE HG2% 1.0 1.8 4.89 243 243 A 91 ILE HG2% A 91 ILE HA 1.0 1.8 3.93 244 244 A 91 ILE HG2% A 59 MET HE% 1.0 1.8 4.61 245 245 A 91 ILE HG2% A 59 MET HBx 1.0 1.8 4.47 246 246 A 57 ILE HG2% A 91 ILE HG2% 1.0 1.8 3.87 247 247 A 57 ILE HB A 91 ILE HG2% 1.0 1.8 4.65 248 248 A 91 ILE HD1% A 91 ILE HA 1.0 1.8 4.26 249 249 A 91 ILE HD1% A 76 SER HBy 1.0 1.8 4.33 250 250 A 91 ILE HD1% A 76 SER HBx 1.0 1.8 4.33 251 251 A 73 GLU HGy A 91 ILE HD1% 1.0 1.8 3.91 252 252 A 57 ILE HB A 91 ILE HD1% 1.0 1.8 4.69 253 253 A 59 MET HE% A 91 ILE HD1% 1.0 1.8 4.60 254 254 A 94 VAL HB A 96 ASN H 1.0 1.8 4.81 255 255 A 94 VAL HA A 94 VAL HGx% 1.0 1.8 4.18 256 256 A 94 VAL HA A 94 VAL HGy% 1.0 1.8 4.18 257 257 A 99 TRP HZ2 A 94 VAL HGy% 1.0 1.8 4.64 258 258 A 94 VAL H A 94 VAL HGy% 1.0 1.8 4.48 259 259 A 96 ASN H A 95 TRP HBx 1.0 1.8 5.19 260 260 A 103 LYS HA A 103 LYS HGy 1.0 1.8 4.37 261 261 A 103 LYS HA A 103 LYS HGx 1.0 1.8 4.37 262 262 A 104 ILE H A 104 ILE HD1% 1.0 1.8 4.25 263 263 A 104 ILE HD1% A 101 PRO HA 1.0 1.8 4.22 264 264 A 104 ILE HD1% A 104 ILE HA 1.0 1.8 4.92 265 265 A 104 ILE HD1% A 104 ILE HB 1.0 1.8 3.85 266 266 A 105 THR HG2% A 106 GLU H 1.0 1.8 4.44 267 267 A 90 ARG HA A 105 THR HG2% 1.0 1.8 3.54 268 268 A 106 GLU H A 106 GLU HBx 1.0 1.8 4.35 269 269 A 106 GLU H A 106 GLU HBy 1.0 1.8 4.35 270 270 A 106 GLU H A 106 GLU HGx 1.0 1.8 5.51 271 271 A 106 GLU H A 106 GLU HGy 1.0 1.8 5.51 272 272 A 77 ARG H A 74 ASP HA 1.0 1.8 4.14 273 273 A 104 ILE HG2% A 108 GLY HAx 1.0 1.8 5.11 274 274 A 104 ILE HG2% A 108 GLY HAy 1.0 1.8 5.11 275 275 A 119 VAL HA A 119 VAL HGx% 1.0 1.8 4.34 276 276 A 119 VAL HA A 119 VAL HGy% 1.0 1.8 4.34 277 277 A 110 GLU HA A 111 GLN HGx 1.0 1.8 5.19 278 278 A 110 GLU HA A 111 GLN HGy 1.0 1.8 5.19 279 279 A 62 THR HA A 62 THR HG2% 1.0 1.8 3.75 280 280 A 5 MET H A 5 MET HE% 1.0 1.8 4.64 281 281 A 7 GLU H A 7 GLU HGx 1.0 1.8 5.78 282 282 A 7 GLU H A 7 GLU HGy 1.0 1.8 5.78 283 283 A 7 GLU HA A 8 THR H 1.0 1.8 3.71 284 284 A 8 THR H A 8 THR HG2% 1.0 1.8 4.98 285 285 A 8 THR HB A 9 SER H 1.0 1.8 4.98 286 286 A 9 SER HA A 10 ALA H 1.0 1.8 3.35 287 287 A 10 ALA H A 9 SER HBx 1.0 1.8 5.44 288 288 A 10 ALA H A 9 SER HBy 1.0 1.8 5.44 289 289 A 10 ALA HB% A 10 ALA H 1.0 1.8 3.45 290 290 A 12 ALA H A 11 PRO HBy 1.0 1.8 4.41 291 291 A 12 ALA H A 11 PRO HBx 1.0 1.8 4.41 292 292 A 12 ALA H A 12 ALA HB% 1.0 1.8 3.16 293 293 A 12 ALA HB% A 13 GLU H 1.0 1.8 4.10 294 294 A 14 GLU H A 14 GLU HGx 1.0 1.8 4.81 295 295 A 14 GLU H A 14 GLU HGy 1.0 1.8 4.81 296 296 A 12 ALA HB% A 14 GLU H 1.0 1.8 5.60 297 297 A 13 GLU H A 14 GLU H 1.0 1.8 4.17 298 298 A 14 GLU H A 15 LEU H 1.0 1.8 3.77 299 299 A 16 LEU H A 15 LEU H 1.0 1.8 3.59 300 300 A 15 LEU H A 14 GLU HBx 1.0 1.8 4.19 301 301 A 15 LEU H A 14 GLU HBy 1.0 1.8 4.19 302 302 A 15 LEU HBy A 15 LEU H 1.0 1.8 3.37 303 303 A 15 LEU HBx A 15 LEU H 1.0 1.8 3.37 304 304 A 16 LEU H A 19 VAL HGx% 1.0 1.8 4.74 305 305 A 16 LEU H A 16 LEU HDx% 1.0 1.8 4.95 306 306 A 16 LEU H A 16 LEU HDy% 1.0 1.8 5.32 307 307 A 16 LEU H A 17 ALA HB% 1.0 1.8 4.76 308 308 A 16 LEU H A 16 LEU HBy 1.0 1.8 3.79 309 309 A 13 GLU HA A 16 LEU H 1.0 1.8 4.83 310 310 A 16 LEU H A 14 GLU H 1.0 1.8 4.29 311 311 A 16 LEU H A 17 ALA H 1.0 1.8 3.49 312 312 A 15 LEU HA A 17 ALA H 1.0 1.8 4.97 313 313 A 16 LEU HG A 17 ALA H 1.0 1.8 3.70 314 314 A 17 ALA HB% A 17 ALA H 1.0 1.8 3.08 315 315 A 16 LEU HDx% A 17 ALA H 1.0 1.8 4.89 316 316 A 16 LEU HDy% A 17 ALA H 1.0 1.8 5.32 317 317 A 18 ASP H A 19 VAL H 1.0 1.8 3.60 318 318 A 18 ASP H A 17 ALA H 1.0 1.8 3.60 319 319 A 18 ASP H A 18 ASP HBy 1.0 1.8 3.93 320 320 A 18 ASP H A 18 ASP HBx 1.0 1.8 3.93 321 321 A 19 VAL HGx% A 19 VAL H 1.0 1.8 3.90 322 322 A 19 VAL HGy% A 19 VAL H 1.0 1.8 3.95 323 323 A 19 VAL HB A 19 VAL H 1.0 1.8 3.70 324 324 A 19 VAL H A 18 ASP HBx 1.0 1.8 4.77 325 325 A 19 VAL H A 18 ASP HBy 1.0 1.8 4.77 326 326 A 16 LEU HA A 19 VAL H 1.0 1.8 4.54 327 327 A 20 GLU H A 19 VAL H 1.0 1.8 3.86 328 328 A 19 VAL HGy% A 20 GLU H 1.0 1.8 4.18 329 329 A 19 VAL HGx% A 20 GLU H 1.0 1.8 3.82 330 330 A 18 ASP HA A 21 GLU H 1.0 1.8 4.29 331 331 A 22 ALA HA A 21 GLU H 1.0 1.8 5.62 332 332 A 20 GLU H A 21 GLU H 1.0 1.8 3.71 333 333 A 22 ALA H A 21 GLU H 1.0 1.8 3.55 334 334 A 19 VAL H A 21 GLU H 1.0 1.8 5.19 335 335 A 22 ALA H A 21 GLU HGx 1.0 1.8 5.27 336 336 A 19 VAL HGx% A 23 MET H 1.0 1.8 4.95 337 337 A 22 ALA HB% A 23 MET H 1.0 1.8 3.93 338 338 A 23 MET HBx A 23 MET H 1.0 1.8 4.03 339 339 A 23 MET H A 24 ARG HBx 1.0 1.8 5.78 340 340 A 23 MET H A 24 ARG HBy 1.0 1.8 5.78 341 341 A 23 MET HBy A 23 MET H 1.0 1.8 3.70 342 342 A 23 MET HGx A 23 MET H 1.0 1.8 4.36 343 343 A 23 MET HGy A 23 MET H 1.0 1.8 3.89 344 344 A 20 GLU HA A 23 MET H 1.0 1.8 4.65 345 345 A 23 MET H A 24 ARG H 1.0 1.8 3.79 346 346 A 22 ALA H A 23 MET H 1.0 1.8 3.66 347 347 A 22 ALA H A 24 ARG H 1.0 1.8 5.06 348 348 A 23 MET HBy A 24 ARG H 1.0 1.8 4.49 349 349 A 24 ARG H A 24 ARG HBx 1.0 1.8 4.14 350 350 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.14 351 351 A 25 ASP H A 26 VAL HGx% 1.0 1.8 5.04 352 352 A 25 ASP H A 26 VAL HGy% 1.0 1.8 5.04 353 353 A 22 ALA HB% A 25 ASP H 1.0 1.8 4.79 354 354 A 25 ASP H A 25 ASP HBx 1.0 1.8 4.02 355 355 A 23 MET HA A 25 ASP H 1.0 1.8 4.73 356 356 A 25 ASP H A 26 VAL H 1.0 1.8 3.55 357 357 A 23 MET HA A 26 VAL H 1.0 1.8 4.86 358 358 A 24 ARG HA A 26 VAL H 1.0 1.8 4.82 359 359 A 27 VAL HGx% A 26 VAL H 1.0 1.8 4.90 360 360 A 26 VAL H A 26 VAL HGx% 1.0 1.8 4.05 361 361 A 26 VAL H A 26 VAL HGy% 1.0 1.8 4.05 362 362 A 23 MET HBx A 26 VAL H 1.0 1.8 5.78 363 363 A 26 VAL HB A 26 VAL H 1.0 1.8 4.00 364 364 A 27 VAL H A 27 VAL HGy% 1.0 1.8 4.74 365 365 A 27 VAL HB A 27 VAL H 1.0 1.8 3.84 366 366 A 28 ASP H A 34 ASN HA 1.0 1.8 4.44 367 367 A 28 ASP H A 29 PRO HA 1.0 1.8 5.32 368 368 A 28 ASP H A 27 VAL HA 1.0 1.8 3.65 369 369 A 28 ASP H A 28 ASP HBx 1.0 1.8 4.06 370 370 A 28 ASP H A 28 ASP HBy 1.0 1.8 4.20 371 371 A 28 ASP H A 33 ILE HB 1.0 1.8 5.40 372 372 A 28 ASP H A 33 ILE HD1% 1.0 1.8 5.04 373 373 A 30 GLU H A 30 GLU HBx 1.0 1.8 3.83 374 374 A 30 GLU H A 30 GLU HBy 1.0 1.8 3.83 375 375 A 29 PRO HA A 30 GLU H 1.0 1.8 3.71 376 376 A 33 ILE H A 32 GLY H 1.0 1.8 3.79 377 377 A 28 ASP H A 33 ILE H 1.0 1.8 5.03 378 378 A 28 ASP HBx A 33 ILE H 1.0 1.8 5.12 379 379 A 33 ILE H A 33 ILE HB 1.0 1.8 4.32 380 380 A 33 ILE HD1% A 33 ILE H 1.0 1.8 4.18 381 381 A 27 VAL HGy% A 33 ILE H 1.0 1.8 4.33 382 382 A 36 VAL H A 36 VAL HGy% 1.0 1.8 4.40 383 383 A 36 VAL H A 38 LEU H 1.0 1.8 4.80 384 384 A 36 VAL H A 37 ASP H 1.0 1.8 3.59 385 385 A 37 ASP H A 36 VAL HGx% 1.0 1.8 4.95 386 386 A 37 ASP H A 36 VAL HGy% 1.0 1.8 4.95 387 387 A 38 LEU H A 36 VAL HGx% 1.0 1.8 5.78 388 388 A 38 LEU H A 36 VAL HGy% 1.0 1.8 5.78 389 389 A 38 LEU HBx A 38 LEU H 1.0 1.8 3.62 390 390 A 38 LEU H A 37 ASP HBx 1.0 1.8 5.32 391 391 A 38 LEU H A 37 ASP HBy 1.0 1.8 5.32 392 392 A 35 VAL HA A 38 LEU H 1.0 1.8 4.60 393 393 A 37 ASP H A 38 LEU H 1.0 1.8 4.11 394 394 A 40 LEU H A 40 LEU HDy% 1.0 1.8 4.57 395 395 A 40 LEU H A 40 LEU HDx% 1.0 1.8 4.57 396 396 A 39 GLY H A 40 LEU H 1.0 1.8 3.95 397 397 A 40 LEU H A 41 VAL H 1.0 1.8 4.07 398 398 A 36 VAL HA A 41 VAL H 1.0 1.8 4.75 399 399 A 41 VAL HB A 41 VAL H 1.0 1.8 3.47 400 400 A 41 VAL HB A 42 TYR H 1.0 1.8 5.09 401 401 A 41 VAL HA A 42 TYR H 1.0 1.8 3.73 402 402 A 42 TYR H A 43 GLY H 1.0 1.8 3.45 403 403 A 44 LEU H A 44 LEU HDx% 1.0 1.8 5.31 404 404 A 44 LEU H A 44 LEU HDy% 1.0 1.8 5.31 405 405 A 44 LEU H A 43 GLY HAy 1.0 1.8 3.71 406 406 A 44 LEU H A 45 ASP H 1.0 1.8 4.90 407 407 A 45 ASP H A 56 LEU H 1.0 1.8 4.15 408 408 A 45 ASP H A 44 LEU HA 1.0 1.8 3.05 409 409 A 45 ASP H A 44 LEU HBy 1.0 1.8 4.81 410 410 A 45 ASP H A 56 LEU HG 1.0 1.8 4.80 411 411 A 46 VAL H A 46 VAL HGx% 1.0 1.8 4.57 412 412 A 46 VAL H A 46 VAL HGy% 1.0 1.8 4.57 413 413 A 46 VAL HB A 46 VAL H 1.0 1.8 4.03 414 414 A 46 VAL H A 45 ASP HA 1.0 1.8 3.50 415 415 A 55 ALA HA A 47 GLN H 1.0 1.8 3.41 416 416 A 47 GLN H A 47 GLN HGx 1.0 1.8 5.27 417 417 A 47 GLN H A 47 GLN HGy 1.0 1.8 5.27 418 418 A 47 GLN H A 47 GLN HBy 1.0 1.8 4.39 419 419 A 46 VAL HB A 47 GLN H 1.0 1.8 4.46 420 420 A 47 GLN H A 47 GLN HBx 1.0 1.8 4.39 421 421 A 56 LEU HG A 47 GLN H 1.0 1.8 5.03 422 422 A 53 THR HG2% A 47 GLN H 1.0 1.8 5.05 423 423 A 47 GLN H A 46 VAL HGx% 1.0 1.8 5.21 424 424 A 47 GLN H A 46 VAL HGy% 1.0 1.8 5.21 425 425 A 48 ASP H A 47 GLN HBx 1.0 1.8 4.56 426 426 A 48 ASP H A 47 GLN HBy 1.0 1.8 4.56 427 427 A 48 ASP H A 48 ASP HBx 1.0 1.8 4.01 428 428 A 48 ASP H A 48 ASP HBy 1.0 1.8 4.01 429 429 A 48 ASP H A 47 GLN HA 1.0 1.8 2.91 430 430 A 48 ASP H A 53 THR HA 1.0 1.8 5.57 431 431 A 49 GLY H A 51 GLU H 1.0 1.8 5.04 432 432 A 54 VAL H A 49 GLY H 1.0 1.8 4.70 433 433 A 48 ASP HA A 49 GLY H 1.0 1.8 3.11 434 434 A 53 THR HA A 49 GLY H 1.0 1.8 3.95 435 435 A 49 GLY H A 48 ASP HBy 1.0 1.8 4.50 436 436 A 49 GLY H A 48 ASP HBx 1.0 1.8 4.50 437 437 A 53 THR HG2% A 49 GLY H 1.0 1.8 4.68 438 438 A 50 ASP H A 50 ASP HBx 1.0 1.8 4.16 439 439 A 50 ASP H A 50 ASP HBy 1.0 1.8 4.16 440 440 A 50 ASP H A 49 GLY HAy 1.0 1.8 3.52 441 441 A 50 ASP H A 49 GLY HAx 1.0 1.8 3.50 442 442 A 51 GLU H A 52 GLY H 1.0 1.8 3.23 443 443 A 51 GLU H A 49 GLY HAx 1.0 1.8 3.84 444 444 A 51 GLU H A 49 GLY HAy 1.0 1.8 5.08 445 445 A 51 GLU H A 50 ASP HBy 1.0 1.8 4.29 446 446 A 51 GLU H A 50 ASP HBx 1.0 1.8 4.29 447 447 A 51 GLU H A 51 GLU HGx 1.0 1.8 4.98 448 448 A 51 GLU H A 51 GLU HGy 1.0 1.8 4.98 449 449 A 52 GLY H A 51 GLU HBx 1.0 1.8 4.66 450 450 A 52 GLY H A 51 GLU HBy 1.0 1.8 4.66 451 451 A 49 GLY HAx A 52 GLY H 1.0 1.8 4.04 452 452 A 49 GLY HAy A 52 GLY H 1.0 1.8 5.47 453 453 A 49 GLY H A 52 GLY H 1.0 1.8 4.13 454 454 A 53 THR H A 52 GLY H 1.0 1.8 4.77 455 455 A 54 VAL H A 53 THR H 1.0 1.8 4.96 456 456 A 53 THR H A 52 GLY HAy 1.0 1.8 3.70 457 457 A 53 THR HB A 53 THR H 1.0 1.8 4.10 458 458 A 53 THR H A 52 GLY HAx 1.0 1.8 3.70 459 459 A 53 THR H A 87 ASP HBy 1.0 1.8 5.23 460 460 A 53 THR HG2% A 53 THR H 1.0 1.8 4.19 461 461 A 53 THR HG2% A 54 VAL H 1.0 1.8 4.20 462 462 A 53 THR HA A 54 VAL H 1.0 1.8 3.37 463 463 A 48 ASP HA A 54 VAL H 1.0 1.8 4.17 464 464 A 54 VAL H A 47 GLN H 1.0 1.8 4.13 465 465 A 54 VAL H A 55 ALA H 1.0 1.8 5.13 466 466 A 55 ALA H A 56 LEU H 1.0 1.8 5.78 467 467 A 55 ALA H A 90 ARG H 1.0 1.8 4.87 468 468 A 55 ALA H A 89 ILE HA 1.0 1.8 3.87 469 469 A 55 ALA H A 54 VAL HA 1.0 1.8 3.47 470 470 A 55 ALA H A 89 ILE HG2% 1.0 1.8 4.36 471 471 A 56 LEU HDx% A 56 LEU H 1.0 1.8 4.19 472 472 A 55 ALA HA A 56 LEU H 1.0 1.8 3.57 473 473 A 56 LEU H A 47 GLN H 1.0 1.8 4.71 474 474 A 58 ASP H A 57 ILE H 1.0 1.8 4.77 475 475 A 57 ILE H A 91 ILE HA 1.0 1.8 4.45 476 476 A 57 ILE HB A 57 ILE H 1.0 1.8 3.90 477 477 A 57 ILE H A 57 ILE HG1y 1.0 1.8 4.71 478 478 A 57 ILE HD1% A 57 ILE H 1.0 1.8 4.61 479 479 A 58 ASP H A 43 GLY H 1.0 1.8 5.02 480 480 A 58 ASP H A 59 MET H 1.0 1.8 5.74 481 481 A 58 ASP H A 57 ILE HA 1.0 1.8 3.18 482 482 A 58 ASP H A 57 ILE HG2% 1.0 1.8 3.66 483 483 A 61 LEU H A 61 LEU HD11 1.0 1.8 4.24 484 484 A 61 LEU H A 61 LEU HD21 1.0 1.8 4.24 485 485 A 61 LEU H A 61 LEU HBx 1.0 1.8 4.29 486 486 A 61 LEU H A 61 LEU HBy 1.0 1.8 4.29 487 487 A 61 LEU H A 60 THR HB 1.0 1.8 4.80 488 488 A 59 MET HA A 60 THR H 1.0 1.8 3.58 489 489 A 60 THR H A 60 THR HG2% 1.0 1.8 3.74 490 490 A 62 THR H A 61 LEU HBy 1.0 1.8 4.70 491 491 A 62 THR H A 61 LEU HBx 1.0 1.8 4.70 492 492 A 62 THR HG2% A 62 THR H 1.0 1.8 4.33 493 493 A 62 THR H A 63 SER H 1.0 1.8 3.86 494 494 A 63 SER H A 61 LEU HA 1.0 1.8 5.50 495 495 A 63 SER H A 61 LEU HBy 1.0 1.8 4.06 496 496 A 63 SER H A 61 LEU HBx 1.0 1.8 4.06 497 497 A 63 SER H A 64 ALA HB% 1.0 1.8 5.52 498 498 A 62 THR HG2% A 63 SER H 1.0 1.8 5.05 499 499 A 64 ALA HB% A 64 ALA H 1.0 1.8 3.33 500 500 A 65 ALA HB% A 64 ALA H 1.0 1.8 5.12 501 501 A 64 ALA H A 63 SER HA 1.0 1.8 3.45 502 502 A 64 ALA H A 65 ALA H 1.0 1.8 4.04 503 503 A 66 CYS H A 65 ALA H 1.0 1.8 3.67 504 504 A 63 SER HA A 65 ALA H 1.0 1.8 4.93 505 505 A 65 ALA HB% A 65 ALA H 1.0 1.8 3.16 506 506 A 64 ALA HB% A 65 ALA H 1.0 1.8 3.89 507 507 A 66 CYS H A 66 CYS HBx 1.0 1.8 4.07 508 508 A 66 CYS H A 66 CYS HBy 1.0 1.8 4.07 509 509 A 66 CYS H A 63 SER H 1.0 1.8 4.85 510 510 A 66 CYS HA A 68 LEU H 1.0 1.8 5.12 511 511 A 68 LEU H A 68 LEU HDx% 1.0 1.8 5.20 512 512 A 68 LEU H A 68 LEU HDy% 1.0 1.8 5.20 513 513 A 67 PRO HDx A 68 LEU H 1.0 1.8 4.99 514 514 A 69 THR H A 70 ASP H 1.0 1.8 3.77 515 515 A 68 LEU H A 69 THR H 1.0 1.8 3.60 516 516 A 69 THR H A 67 PRO HA 1.0 1.8 4.84 517 517 A 69 THR HB A 69 THR H 1.0 1.8 4.00 518 518 A 69 THR HG2% A 69 THR H 1.0 1.8 3.47 519 519 A 69 THR HG2% A 70 ASP H 1.0 1.8 4.88 520 520 A 69 THR HB A 70 ASP H 1.0 1.8 4.27 521 521 A 71 VAL H A 72 ILE H 1.0 1.8 3.67 522 522 A 70 ASP H A 71 VAL H 1.0 1.8 3.66 523 523 A 73 GLU H A 71 VAL H 1.0 1.8 5.09 524 524 A 71 VAL H A 71 VAL HB 1.0 1.8 3.35 525 525 A 73 GLU HBy A 71 VAL H 1.0 1.8 5.18 526 526 A 73 GLU H A 72 ILE H 1.0 1.8 4.01 527 527 A 72 ILE HB A 72 ILE H 1.0 1.8 3.94 528 528 A 72 ILE H A 71 VAL HB 1.0 1.8 4.18 529 529 A 72 ILE H A 72 ILE HG1y 1.0 1.8 4.25 530 530 A 72 ILE H A 72 ILE HG1x 1.0 1.8 4.25 531 531 A 73 GLU HBy A 73 GLU H 1.0 1.8 3.98 532 532 A 73 GLU HBx A 73 GLU H 1.0 1.8 4.13 533 533 A 73 GLU H A 73 GLU HGx 1.0 1.8 4.52 534 534 A 70 ASP HA A 73 GLU H 1.0 1.8 4.88 535 535 A 74 ASP H A 73 GLU H 1.0 1.8 4.13 536 536 A 71 VAL HA A 74 ASP H 1.0 1.8 4.44 537 537 A 74 ASP HBx A 74 ASP H 1.0 1.8 3.63 538 538 A 74 ASP H A 74 ASP HBy 1.0 1.8 3.86 539 539 A 74 ASP H A 73 GLU HBx 1.0 1.8 4.08 540 540 A 75 GLN H A 75 GLN HGx 1.0 1.8 4.45 541 541 A 74 ASP HBy A 75 GLN H 1.0 1.8 4.11 542 542 A 74 ASP HBx A 75 GLN H 1.0 1.8 3.60 543 543 A 75 GLN H A 75 GLN HGy 1.0 1.8 4.45 544 544 A 72 ILE HA A 75 GLN H 1.0 1.8 4.58 545 545 A 71 VAL HA A 75 GLN H 1.0 1.8 4.91 546 546 A 74 ASP H A 75 GLN H 1.0 1.8 3.81 547 547 A 76 SER H A 75 GLN H 1.0 1.8 3.91 548 548 A 77 ARG H A 76 SER H 1.0 1.8 3.95 549 549 A 76 SER H A 76 SER HBy 1.0 1.8 4.29 550 550 A 76 SER H A 75 GLN HBy 1.0 1.8 4.55 551 551 A 76 SER H A 75 GLN HBx 1.0 1.8 4.55 552 552 A 80 LEU H A 80 LEU HBx 1.0 1.8 4.32 553 553 A 79 ALA HB% A 80 LEU H 1.0 1.8 3.90 554 554 A 80 LEU H A 80 LEU HBy 1.0 1.8 3.67 555 555 A 80 LEU H A 81 VAL H 1.0 1.8 3.72 556 556 A 81 VAL H A 78 SER HA 1.0 1.8 5.10 557 557 A 81 VAL H A 79 ALA HA 1.0 1.8 5.65 558 558 A 81 VAL HB A 81 VAL H 1.0 1.8 3.84 559 559 A 81 VAL H A 80 LEU HBy 1.0 1.8 4.18 560 560 A 81 VAL H A 80 LEU HBx 1.0 1.8 4.82 561 561 A 81 VAL H A 81 VAL HGx% 1.0 1.8 4.74 562 562 A 81 VAL H A 81 VAL HGy% 1.0 1.8 4.74 563 563 A 82 GLY H A 81 VAL HGx% 1.0 1.8 5.47 564 564 A 82 GLY H A 81 VAL HGy% 1.0 1.8 5.47 565 565 A 82 GLY H A 79 ALA HA 1.0 1.8 4.13 566 566 A 80 LEU H A 82 GLY H 1.0 1.8 4.73 567 567 A 82 GLY H A 81 VAL H 1.0 1.8 3.70 568 568 A 82 GLY H A 83 SER H 1.0 1.8 3.77 569 569 A 83 SER H A 84 GLY H 1.0 1.8 3.42 570 570 A 83 SER H A 85 LEU H 1.0 1.8 5.02 571 571 A 81 VAL H A 83 SER H 1.0 1.8 5.17 572 572 A 81 VAL HB A 83 SER H 1.0 1.8 5.78 573 573 A 84 GLY H A 85 LEU HDx% 1.0 1.8 5.78 574 574 A 84 GLY H A 85 LEU HDy% 1.0 1.8 5.78 575 575 A 84 GLY H A 85 LEU H 1.0 1.8 4.02 576 576 A 85 LEU H A 85 LEU HBy 1.0 1.8 4.22 577 577 A 85 LEU HG A 85 LEU H 1.0 1.8 4.42 578 578 A 85 LEU H A 85 LEU HBx 1.0 1.8 4.22 579 579 A 85 LEU H A 85 LEU HDx% 1.0 1.8 4.97 580 580 A 85 LEU H A 85 LEU HDy% 1.0 1.8 4.97 581 581 A 80 LEU HBx A 86 VAL H 1.0 1.8 4.95 582 582 A 86 VAL H A 85 LEU HBx 1.0 1.8 4.15 583 583 A 86 VAL H A 85 LEU HBy 1.0 1.8 4.15 584 584 A 87 ASP H A 86 VAL H 1.0 1.8 5.10 585 585 A 87 ASP H A 53 THR H 1.0 1.8 4.79 586 586 A 87 ASP H A 86 VAL HA 1.0 1.8 3.51 587 587 A 87 ASP H A 86 VAL HB 1.0 1.8 3.97 588 588 A 87 ASP H A 86 VAL HG1% 1.0 1.8 4.43 589 589 A 89 ILE HG2% A 88 ASP H 1.0 1.8 4.79 590 590 A 86 VAL HB A 88 ASP H 1.0 1.8 3.76 591 591 A 88 ASP H A 87 ASP HBx 1.0 1.8 4.28 592 592 A 88 ASP H A 87 ASP HBy 1.0 1.8 4.28 593 593 A 54 VAL HA A 88 ASP H 1.0 1.8 3.74 594 594 A 87 ASP H A 88 ASP H 1.0 1.8 3.53 595 595 A 88 ASP HA A 89 ILE H 1.0 1.8 3.55 596 596 A 89 ILE H A 89 ILE HG1y 1.0 1.8 4.29 597 597 A 89 ILE HG2% A 89 ILE H 1.0 1.8 4.00 598 598 A 89 ILE H A 89 ILE HG1x 1.0 1.8 4.29 599 599 A 89 ILE HD1% A 89 ILE H 1.0 1.8 4.41 600 600 A 89 ILE HA A 90 ARG H 1.0 1.8 3.43 601 601 A 89 ILE HB A 90 ARG H 1.0 1.8 3.63 602 602 A 89 ILE HG2% A 90 ARG H 1.0 1.8 4.58 603 603 A 90 ARG HA A 91 ILE H 1.0 1.8 3.37 604 604 A 91 ILE H A 90 ARG HBy 1.0 1.8 5.08 605 605 A 91 ILE HB A 91 ILE H 1.0 1.8 3.82 606 606 A 89 ILE HD1% A 91 ILE H 1.0 1.8 4.88 607 607 A 91 ILE HD1% A 91 ILE H 1.0 1.8 5.34 608 608 A 91 ILE HG2% A 91 ILE H 1.0 1.8 4.69 609 609 A 91 ILE HG2% A 92 ASN H 1.0 1.8 3.71 610 610 A 57 ILE HG2% A 92 ASN H 1.0 1.8 5.16 611 611 A 57 ILE HB A 92 ASN H 1.0 1.8 4.78 612 612 A 92 ASN H A 92 ASN HBx 1.0 1.8 4.08 613 613 A 92 ASN H A 92 ASN HBy 1.0 1.8 4.08 614 614 A 91 ILE HA A 92 ASN H 1.0 1.8 3.20 615 615 A 58 ASP HA A 92 ASN H 1.0 1.8 4.35 616 616 A 57 ILE H A 92 ASN H 1.0 1.8 4.83 617 617 A 92 ASN HA A 93 TRP H 1.0 1.8 3.44 618 618 A 93 TRP H A 93 TRP HBy 1.0 1.8 4.18 619 619 A 93 TRP H A 93 TRP HBx 1.0 1.8 4.18 620 620 A 94 VAL HB A 95 TRP H 1.0 1.8 4.43 621 621 A 96 ASN H A 94 VAL HGy% 1.0 1.8 5.07 622 622 A 96 ASN H A 94 VAL HGx% 1.0 1.8 5.07 623 623 A 96 ASN H A 96 ASN HBx 1.0 1.8 4.18 624 624 A 96 ASN H A 96 ASN HBy 1.0 1.8 4.18 625 625 A 96 ASN H A 95 TRP HBy 1.0 1.8 5.19 626 626 A 96 ASN H A 94 VAL HA 1.0 1.8 4.27 627 627 A 96 ASN H A 95 TRP H 1.0 1.8 3.23 628 628 A 91 ILE HG2% A 93 TRP H 1.0 1.8 5.06 629 629 A 99 TRP HA A 100 GLY H 1.0 1.8 3.51 630 630 A 100 GLY H A 103 LYS HBy 1.0 1.8 4.96 631 631 A 100 GLY H A 103 LYS HGy 1.0 1.8 4.99 632 632 A 100 GLY H A 103 LYS HGx 1.0 1.8 4.99 633 633 A 103 LYS HBy A 102 ASP H 1.0 1.8 5.24 634 634 A 104 ILE H A 102 ASP H 1.0 1.8 5.10 635 635 A 102 ASP H A 103 LYS H 1.0 1.8 3.59 636 636 A 104 ILE H A 103 LYS H 1.0 1.8 3.72 637 637 A 100 GLY H A 103 LYS H 1.0 1.8 5.26 638 638 A 101 PRO HA A 103 LYS H 1.0 1.8 4.95 639 639 A 103 LYS H A 102 ASP HBx 1.0 1.8 5.49 640 640 A 103 LYS H A 102 ASP HBy 1.0 1.8 5.49 641 641 A 103 LYS H A 103 LYS HBx 1.0 1.8 4.07 642 642 A 103 LYS HBy A 103 LYS H 1.0 1.8 3.73 643 643 A 103 LYS H A 103 LYS HGy 1.0 1.8 4.02 644 644 A 103 LYS H A 103 LYS HGx 1.0 1.8 4.02 645 645 A 104 ILE H A 104 ILE HG2% 1.0 1.8 4.59 646 646 A 104 ILE H A 104 ILE HB 1.0 1.8 3.67 647 647 A 104 ILE H A 103 LYS HBx 1.0 1.8 5.27 648 648 A 104 ILE H A 101 PRO HA 1.0 1.8 4.88 649 649 A 90 ARG HA A 105 THR H 1.0 1.8 4.97 650 650 A 104 ILE HA A 105 THR H 1.0 1.8 3.53 651 651 A 104 ILE HB A 105 THR H 1.0 1.8 4.77 652 652 A 105 THR HG2% A 105 THR H 1.0 1.8 3.47 653 653 A 104 ILE HG2% A 105 THR H 1.0 1.8 3.74 654 654 A 106 GLU H A 105 THR HB 1.0 1.8 4.05 655 655 A 108 GLY H A 109 ARG H 1.0 1.8 4.06 656 656 A 108 GLY H A 107 ASP HBx 1.0 1.8 4.76 657 657 A 108 GLY H A 107 ASP HBy 1.0 1.8 4.76 658 658 A 104 ILE HG2% A 108 GLY H 1.0 1.8 4.91 659 659 A 109 ARG H A 110 GLU H 1.0 1.8 3.87 660 660 A 109 ARG H A 106 GLU HA 1.0 1.8 4.37 661 661 A 109 ARG H A 109 ARG HBx 1.0 1.8 3.72 662 662 A 109 ARG H A 109 ARG HBy 1.0 1.8 3.72 663 663 A 109 ARG H A 109 ARG HGx 1.0 1.8 5.61 664 664 A 109 ARG H A 109 ARG HGy 1.0 1.8 5.61 665 665 A 104 ILE HG2% A 109 ARG H 1.0 1.8 3.84 666 666 A 110 GLU H A 111 GLN H 1.0 1.8 3.98 667 667 A 110 GLU H A 109 ARG HBx 1.0 1.8 4.59 668 668 A 110 GLU H A 109 ARG HBy 1.0 1.8 4.59 669 669 A 113 ARG H A 114 ALA H 1.0 1.8 3.92 670 670 A 114 ALA H A 115 LEU H 1.0 1.8 3.89 671 671 A 114 ALA H A 115 LEU HA 1.0 1.8 5.47 672 672 A 114 ALA H A 114 ALA HB% 1.0 1.8 3.22 673 673 A 115 LEU H A 115 LEU HG 1.0 1.8 4.74 674 674 A 115 LEU H A 114 ALA HB% 1.0 1.8 4.25 675 675 A 115 LEU H A 115 LEU HB3 1.0 1.8 4.13 676 676 A 115 LEU H A 115 LEU HB2 1.0 1.8 4.13 677 677 A 115 LEU H A 116 GLY H 1.0 1.8 3.91 678 678 A 106 GLU H A 107 ASP H 1.0 1.8 4.05 679 679 A 107 ASP H A 107 ASP HBx 1.0 1.8 3.91 680 680 A 107 ASP H A 107 ASP HBy 1.0 1.8 3.91 681 681 A 107 ASP H A 106 GLU HGx 1.0 1.8 5.78 682 682 A 107 ASP H A 106 GLU HGy 1.0 1.8 5.78 683 683 A 107 ASP H A 106 GLU HBx 1.0 1.8 4.96 684 684 A 107 ASP H A 106 GLU HBy 1.0 1.8 4.96 685 685 A 105 THR HG2% A 107 ASP H 1.0 1.8 5.04 686 686 A 119 VAL H A 119 VAL HGx% 1.0 1.8 3.90 687 687 A 119 VAL H A 119 VAL HGy% 1.0 1.8 3.90 688 688 A 119 VAL H A 119 VAL HB 1.0 1.8 4.02 689 689 A 119 VAL H A 118 THR HA 1.0 1.8 3.62 690 690 A 119 VAL H A 118 THR H 1.0 1.8 5.12 691 691 A 108 GLY H A 107 ASP H 1.0 1.8 3.85 692 692 A 105 THR HB A 107 ASP H 1.0 1.8 4.99 693 693 A 33 ILE HB A 34 ASN H 1.0 1.8 3.92 694 694 A 33 ILE HD1% A 34 ASN H 1.0 1.8 5.35 695 695 A 92 ASN HD2y A 94 VAL HGy% 1.0 1.8 5.26 696 696 A 92 ASN HD2y A 94 VAL HGx% 1.0 1.8 5.26 697 697 A 92 ASN HD2x A 94 VAL HGx% 1.0 1.8 5.26 698 698 A 92 ASN HD2x A 94 VAL HGy% 1.0 1.8 5.26 699 699 A 56 LEU HDx% A 47 GLN HE2y 1.0 1.8 4.84 700 700 A 56 LEU HDx% A 47 GLN HE2x 1.0 1.8 4.84 701 701 A 77 ARG H A 89 ILE HD1% 1.0 1.8 4.56 702 702 A 91 ILE HD1% A 77 ARG H 1.0 1.8 5.19 703 703 A 89 ILE HG2% A 77 ARG H 1.0 1.8 5.21 704 704 A 77 ARG H A 77 ARG HBx 1.0 1.8 4.08 705 705 A 77 ARG H A 77 ARG HBy 1.0 1.8 4.08 706 706 A 77 ARG H A 75 GLN HA 1.0 1.8 5.72 707 707 A 77 ARG H A 78 SER HA 1.0 1.8 5.78 708 708 A 77 ARG H A 78 SER H 1.0 1.8 3.77 709 709 A 78 SER H A 78 SER HBx 1.0 1.8 4.04 710 710 A 78 SER H A 78 SER HBy 1.0 1.8 4.04 711 711 A 78 SER H A 77 ARG HBx 1.0 1.8 4.92 712 712 A 78 SER H A 77 ARG HBy 1.0 1.8 4.92 713 713 A 89 ILE HG2% A 78 SER H 1.0 1.8 5.78 714 714 A 91 ILE HG2% A 59 MET H 1.0 1.8 4.79 715 715 A 58 ASP HA A 59 MET H 1.0 1.8 3.30 716 716 A 59 MET H A 92 ASN H 1.0 1.8 5.00 717 717 A 94 VAL H A 94 VAL HGx% 1.0 1.8 4.48 718 718 A 94 VAL HB A 94 VAL H 1.0 1.8 4.40 719 719 A 94 VAL H A 93 TRP HA 1.0 1.8 3.33 720 720 A 94 VAL H A 59 MET H 1.0 1.8 4.79 721 721 A 111 GLN H A 111 GLN HGy 1.0 1.8 4.56 722 722 A 111 GLN H A 111 GLN HGx 1.0 1.8 4.56 723 723 A 95 TRP HE1 A 93 TRP HBy 1.0 1.8 5.51 724 724 A 95 TRP HE1 A 93 TRP HBx 1.0 1.8 5.51 725 725 A 94 VAL HA A 99 TRP HE1 1.0 1.8 5.78 726 726 A 99 TRP HA A 99 TRP HE1 1.0 1.8 5.70 727 727 A 94 VAL HB A 99 TRP HE1 1.0 1.8 5.03 728 728 A 69 THR HG2% A 93 TRP HE1 1.0 1.8 5.25 729 729 A 91 ILE HB A 93 TRP HE1 1.0 1.8 4.70 730 730 A 73 GLU HGy A 93 TRP HE1 1.0 1.8 4.19 731 731 A 73 GLU HGx A 93 TRP HE1 1.0 1.8 4.23 732 732 A 69 THR HB A 93 TRP HE1 1.0 1.8 4.46 733 733 A 69 THR HA A 93 TRP HE1 1.0 1.8 4.28 734 734 A 91 ILE HG2% A 93 TRP HE1 1.0 1.8 4.55 735 735 A 95 TRP H A 95 TRP HD1 1.0 1.8 4.39 736 736 A 99 TRP HA A 99 TRP HD1 1.0 1.8 4.49 737 737 A 93 TRP H A 93 TRP HD1 1.0 1.8 4.79 738 738 A 72 ILE HD1% A 93 TRP HZ2 1.0 1.8 4.89 739 739 A 73 GLU HGy A 93 TRP HZ2 1.0 1.8 4.39 740 740 A 69 THR HA A 93 TRP HZ2 1.0 1.8 5.69 741 741 A 73 GLU HGx A 93 TRP HZ2 1.0 1.8 4.47 742 742 A 99 TRP HZ2 A 94 VAL HGx% 1.0 1.8 4.64 743 743 A 23 MET HGy A 7 GLU HGy 1.0 1.8 5.05 744 743 A 23 MET HGy A 7 GLU HGx 1.0 1.8 5.05 745 744 A 23 MET HE% A 7 GLU HGy 1.0 1.8 4.02 746 744 A 23 MET HE% A 7 GLU HGx 1.0 1.8 4.02 747 745 A 8 THR H A 9 SER HBx 1.0 1.8 5.19 748 745 A 8 THR H A 9 SER HBy 1.0 1.8 5.19 749 746 A 10 ALA H A 9 SER HBx 1.0 1.8 4.60 750 746 A 10 ALA H A 9 SER HBy 1.0 1.8 4.60 751 747 A 10 ALA H A 11 PRO HDx 1.0 1.8 4.92 752 747 A 10 ALA H A 11 PRO HDy 1.0 1.8 4.92 753 748 A 12 ALA H A 11 PRO HBx 1.0 1.8 3.83 754 748 A 12 ALA H A 11 PRO HBy 1.0 1.8 3.83 755 749 A 12 ALA HB% A 11 PRO HBx 1.0 1.8 4.65 756 749 A 12 ALA HB% A 11 PRO HBy 1.0 1.8 4.65 757 750 A 13 GLU H A 11 PRO HBx 1.0 1.8 4.28 758 750 A 13 GLU H A 11 PRO HBy 1.0 1.8 4.28 759 751 A 12 ALA H A 11 PRO HDx 1.0 1.8 5.21 760 751 A 12 ALA H A 11 PRO HDy 1.0 1.8 5.21 761 752 A 12 ALA H A 13 GLU HBx 1.0 1.8 5.61 762 752 A 12 ALA H A 13 GLU HBy 1.0 1.8 5.61 763 753 A 12 ALA HB% A 13 GLU HGy 1.0 1.8 4.96 764 753 A 12 ALA HB% A 13 GLU HGx 1.0 1.8 4.96 765 754 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.54 766 754 A 13 GLU H A 13 GLU HBy 1.0 1.8 3.54 767 755 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.84 768 755 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.84 769 756 A 13 GLU HA A 13 GLU HGy 1.0 1.8 3.53 770 756 A 13 GLU HA A 13 GLU HGx 1.0 1.8 3.53 771 757 A 13 GLU HA A 16 LEU HBx 1.0 1.8 4.58 772 757 A 13 GLU HA A 16 LEU HBy 1.0 1.8 4.58 773 758 A 14 GLU H A 13 GLU HBx 1.0 1.8 3.65 774 758 A 14 GLU H A 13 GLU HBy 1.0 1.8 3.65 775 759 A 14 GLU H A 14 GLU HBy 1.0 1.8 3.54 776 759 A 14 GLU H A 14 GLU HBx 1.0 1.8 3.54 777 760 A 14 GLU H A 14 GLU HGy 1.0 1.8 4.16 778 760 A 14 GLU H A 14 GLU HGx 1.0 1.8 4.16 779 761 A 14 GLU HA A 14 GLU HGy 1.0 1.8 3.45 780 761 A 14 GLU HA A 14 GLU HGx 1.0 1.8 3.45 781 762 A 15 LEU H A 14 GLU HBy 1.0 1.8 3.66 782 762 A 15 LEU H A 14 GLU HBx 1.0 1.8 3.66 783 763 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 3.41 784 763 A 15 LEU HA A 15 LEU HDy% 1.0 1.8 3.41 785 764 A 15 LEU HA A 18 ASP HBx 1.0 1.8 3.92 786 764 A 15 LEU HA A 18 ASP HBy 1.0 1.8 3.92 787 765 A 15 LEU HDx% A 18 ASP HBx 1.0 1.8 3.94 788 765 A 18 ASP HBy A 15 LEU HDx% 1.0 1.8 3.94 789 765 A 15 LEU HDy% A 18 ASP HBy 1.0 1.8 3.94 790 765 A 15 LEU HDy% A 18 ASP HBx 1.0 1.8 3.94 791 766 A 16 LEU H A 16 LEU HBx 1.0 1.8 3.03 792 766 A 16 LEU H A 16 LEU HBy 1.0 1.8 3.03 793 767 A 19 VAL HGx% A 16 LEU HBx 1.0 1.8 4.66 794 767 A 19 VAL HGx% A 16 LEU HBy 1.0 1.8 4.66 795 768 A 18 ASP H A 18 ASP HBx 1.0 1.8 3.35 796 768 A 18 ASP H A 18 ASP HBy 1.0 1.8 3.35 797 769 A 18 ASP H A 85 LEU HDy% 1.0 1.8 5.71 798 769 A 18 ASP H A 85 LEU HDx% 1.0 1.8 5.71 799 770 A 19 VAL H A 18 ASP HBx 1.0 1.8 4.12 800 770 A 19 VAL H A 18 ASP HBy 1.0 1.8 4.12 801 771 A 18 ASP HBx A 85 LEU HDy% 1.0 1.8 3.39 802 771 A 18 ASP HBy A 85 LEU HDy% 1.0 1.8 3.39 803 771 A 85 LEU HDx% A 18 ASP HBx 1.0 1.8 3.39 804 771 A 18 ASP HBy A 85 LEU HDx% 1.0 1.8 3.39 805 772 A 20 GLU H A 20 GLU HGy 1.0 1.8 4.83 806 772 A 20 GLU H A 20 GLU HGx 1.0 1.8 4.83 807 773 A 20 GLU H A 21 GLU HGx 1.0 1.8 4.91 808 773 A 20 GLU H A 21 GLU HGy 1.0 1.8 4.91 809 774 A 21 GLU HA A 21 GLU HGx 1.0 1.8 3.85 810 774 A 21 GLU HA A 21 GLU HGy 1.0 1.8 3.85 811 775 A 22 ALA H A 21 GLU HGx 1.0 1.8 4.57 812 775 A 22 ALA H A 21 GLU HGy 1.0 1.8 4.57 813 776 A 22 ALA HA A 26 VAL HGy% 1.0 1.8 4.49 814 776 A 22 ALA HA A 26 VAL HGx% 1.0 1.8 4.49 815 777 A 22 ALA HB% A 26 VAL HGy% 1.0 1.8 3.09 816 777 A 22 ALA HB% A 26 VAL HGx% 1.0 1.8 3.09 817 778 A 24 ARG H A 24 ARG HBy 1.0 1.8 3.45 818 778 A 24 ARG H A 24 ARG HBx 1.0 1.8 3.45 819 779 A 24 ARG H A 24 ARG HGx 1.0 1.8 4.74 820 779 A 24 ARG H A 24 ARG HGy 1.0 1.8 4.74 821 780 A 25 ASP H A 25 ASP HBx 1.0 1.8 3.44 822 780 A 25 ASP H A 25 ASP HBy 1.0 1.8 3.44 823 781 A 25 ASP H A 26 VAL HGy% 1.0 1.8 4.39 824 781 A 25 ASP H A 26 VAL HGx% 1.0 1.8 4.39 825 782 A 26 VAL H A 25 ASP HBx 1.0 1.8 4.61 826 782 A 26 VAL H A 25 ASP HBy 1.0 1.8 4.61 827 783 A 79 ALA HB% A 25 ASP HBx 1.0 1.8 4.66 828 783 A 79 ALA HB% A 25 ASP HBy 1.0 1.8 4.66 829 784 A 26 VAL H A 26 VAL HGy% 1.0 1.8 3.52 830 784 A 26 VAL H A 26 VAL HGx% 1.0 1.8 3.52 831 785 A 26 VAL HA A 75 GLN HBx 1.0 1.8 4.99 832 785 A 26 VAL HA A 75 GLN HBy 1.0 1.8 4.99 833 786 A 27 VAL H A 26 VAL HGy% 1.0 1.8 3.94 834 786 A 27 VAL H A 26 VAL HGx% 1.0 1.8 3.94 835 787 A 75 GLN HA A 26 VAL HGy% 1.0 1.8 5.22 836 787 A 75 GLN HA A 26 VAL HGx% 1.0 1.8 5.22 837 788 A 26 VAL HGy% A 75 GLN HBx 1.0 1.8 3.23 838 788 A 26 VAL HGx% A 75 GLN HBx 1.0 1.8 3.23 839 788 A 75 GLN HBy A 26 VAL HGy% 1.0 1.8 3.23 840 788 A 26 VAL HGx% A 75 GLN HBy 1.0 1.8 3.23 841 789 A 26 VAL HGy% A 75 GLN HGx 1.0 1.8 4.74 842 789 A 26 VAL HGx% A 75 GLN HGx 1.0 1.8 4.74 843 789 A 75 GLN HGy A 26 VAL HGy% 1.0 1.8 4.74 844 789 A 26 VAL HGx% A 75 GLN HGy 1.0 1.8 4.74 845 790 A 76 SER H A 26 VAL HGy% 1.0 1.8 4.64 846 790 A 76 SER H A 26 VAL HGx% 1.0 1.8 4.64 847 791 A 76 SER HA A 26 VAL HGy% 1.0 1.8 3.72 848 791 A 26 VAL HGx% A 76 SER HA 1.0 1.8 3.72 849 792 A 27 VAL HGx% A 34 ASN HBy 1.0 1.8 5.15 850 792 A 27 VAL HGx% A 34 ASN HBx 1.0 1.8 5.15 851 793 A 27 VAL HGy% A 34 ASN HBy 1.0 1.8 4.61 852 793 A 27 VAL HGy% A 34 ASN HBx 1.0 1.8 4.61 853 794 A 28 ASP H A 35 VAL HGy% 1.0 1.8 5.41 854 794 A 28 ASP H A 35 VAL HGx% 1.0 1.8 5.41 855 795 A 28 ASP HBy A 35 VAL HGy% 1.0 1.8 4.40 856 795 A 28 ASP HBy A 35 VAL HGx% 1.0 1.8 4.40 857 796 A 28 ASP HBx A 35 VAL HGy% 1.0 1.8 5.71 858 796 A 28 ASP HBx A 35 VAL HGx% 1.0 1.8 5.71 859 797 A 32 GLY H A 33 ILE HG1x 1.0 1.8 4.88 860 797 A 32 GLY H A 33 ILE HG1y 1.0 1.8 4.88 861 798 A 33 ILE H A 33 ILE HG1x 1.0 1.8 4.05 862 798 A 33 ILE H A 33 ILE HG1y 1.0 1.8 4.05 863 799 A 34 ASN H A 34 ASN HBy 1.0 1.8 3.81 864 799 A 34 ASN H A 34 ASN HBx 1.0 1.8 3.81 865 800 A 34 ASN HA A 35 VAL HGy% 1.0 1.8 4.22 866 800 A 34 ASN HA A 35 VAL HGx% 1.0 1.8 4.22 867 801 A 35 VAL HA A 38 LEU HDx% 1.0 1.8 3.91 868 801 A 35 VAL HA A 38 LEU HD21 1.0 1.8 3.91 869 802 A 36 VAL HA A 35 VAL HGy% 1.0 1.8 4.05 870 802 A 36 VAL HA A 35 VAL HGx% 1.0 1.8 4.05 871 803 A 36 VAL HA A 41 VAL HGy% 1.0 1.8 3.99 872 803 A 36 VAL HA A 41 VAL HGx% 1.0 1.8 3.99 873 804 A 37 ASP H A 36 VAL HGy% 1.0 1.8 4.24 874 804 A 37 ASP H A 36 VAL HGx% 1.0 1.8 4.24 875 805 A 41 VAL H A 36 VAL HGy% 1.0 1.8 5.09 876 805 A 41 VAL H A 36 VAL HGx% 1.0 1.8 5.09 877 806 A 38 LEU H A 37 ASP HBy 1.0 1.8 4.66 878 806 A 38 LEU H A 37 ASP HBx 1.0 1.8 4.66 879 807 A 39 GLY H A 40 LEU HBy 1.0 1.8 5.05 880 807 A 39 GLY H A 40 LEU HBx 1.0 1.8 5.05 881 808 A 40 LEU H A 40 LEU HBy 1.0 1.8 3.56 882 808 A 40 LEU H A 40 LEU HBx 1.0 1.8 3.56 883 809 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 3.98 884 809 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 3.98 885 810 A 41 VAL H A 40 LEU HDy% 1.0 1.8 5.30 886 810 A 41 VAL H A 40 LEU HDx% 1.0 1.8 5.30 887 811 A 41 VAL HA A 40 LEU HDy% 1.0 1.8 4.66 888 811 A 41 VAL HA A 40 LEU HDx% 1.0 1.8 4.66 889 812 A 41 VAL H A 41 VAL HGy% 1.0 1.8 3.53 890 812 A 41 VAL H A 41 VAL HGx% 1.0 1.8 3.53 891 813 A 41 VAL HA A 59 MET HGx 1.0 1.8 4.73 892 813 A 41 VAL HA A 59 MET HGy 1.0 1.8 4.73 893 814 A 41 VAL HGx% A 59 MET HGx 1.0 1.8 3.92 894 814 A 41 VAL HGy% A 59 MET HGx 1.0 1.8 3.92 895 814 A 59 MET HGy A 41 VAL HGy% 1.0 1.8 3.92 896 814 A 41 VAL HGx% A 59 MET HGy 1.0 1.8 3.92 897 815 A 42 TYR H A 42 TYR HBy 1.0 1.8 3.82 898 815 A 42 TYR H A 42 TYR HBx 1.0 1.8 3.82 899 816 A 42 TYR H A 58 ASP HBy 1.0 1.8 5.61 900 816 A 42 TYR H A 58 ASP HBx 1.0 1.8 5.61 901 817 A 43 GLY H A 42 TYR HBy 1.0 1.8 4.63 902 817 A 43 GLY H A 42 TYR HBx 1.0 1.8 4.63 903 818 A 43 GLY H A 58 ASP HBy 1.0 1.8 3.97 904 818 A 43 GLY H A 58 ASP HBx 1.0 1.8 3.97 905 819 A 44 LEU H A 43 GLY HAy 1.0 1.8 3.14 906 819 A 44 LEU H A 43 GLY HAx 1.0 1.8 3.14 907 820 A 43 GLY HAy A 58 ASP HBy 1.0 1.8 4.16 908 820 A 43 GLY HAx A 58 ASP HBy 1.0 1.8 4.16 909 820 A 58 ASP HBx A 43 GLY HAy 1.0 1.8 4.16 910 820 A 58 ASP HBx A 43 GLY HAx 1.0 1.8 4.16 911 821 A 44 LEU H A 44 LEU HDy% 1.0 1.8 4.50 912 821 A 44 LEU H A 44 LEU HDx% 1.0 1.8 4.50 913 822 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 4.12 914 822 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 4.12 915 823 A 45 ASP H A 44 LEU HBx 1.0 1.8 3.99 916 823 A 45 ASP H A 44 LEU HBy 1.0 1.8 3.99 917 824 A 45 ASP H A 44 LEU HDy% 1.0 1.8 3.72 918 824 A 45 ASP H A 44 LEU HDx% 1.0 1.8 3.72 919 825 A 45 ASP H A 45 ASP HBy 1.0 1.8 3.76 920 825 A 45 ASP H A 45 ASP HBx 1.0 1.8 3.76 921 826 A 46 VAL H A 45 ASP HBy 1.0 1.8 4.59 922 826 A 46 VAL H A 45 ASP HBx 1.0 1.8 4.59 923 827 A 45 ASP HBx A 56 LEU HBx 1.0 1.8 4.00 924 827 A 45 ASP HBy A 56 LEU HBx 1.0 1.8 4.00 925 827 A 56 LEU HBy A 45 ASP HBy 1.0 1.8 4.00 926 827 A 45 ASP HBx A 56 LEU HBy 1.0 1.8 4.00 927 828 A 46 VAL H A 46 VAL HGy% 1.0 1.8 3.93 928 828 A 46 VAL H A 46 VAL HGx% 1.0 1.8 3.93 929 829 A 47 GLN H A 46 VAL HGy% 1.0 1.8 4.49 930 829 A 47 GLN H A 46 VAL HGx% 1.0 1.8 4.49 931 830 A 55 ALA HA A 46 VAL HGy% 1.0 1.8 3.41 932 830 A 55 ALA HA A 46 VAL HGx% 1.0 1.8 3.41 933 831 A 55 ALA HB% A 46 VAL HGy% 1.0 1.8 3.72 934 831 A 55 ALA HB% A 46 VAL HGx% 1.0 1.8 3.72 935 832 A 47 GLN H A 47 GLN HBx 1.0 1.8 3.75 936 832 A 47 GLN H A 47 GLN HBy 1.0 1.8 3.75 937 833 A 47 GLN H A 47 GLN HGy 1.0 1.8 4.57 938 833 A 47 GLN H A 47 GLN HGx 1.0 1.8 4.57 939 834 A 47 GLN HA A 47 GLN HGy 1.0 1.8 3.86 940 834 A 47 GLN HA A 47 GLN HGx 1.0 1.8 3.86 941 835 A 47 GLN HA A 48 ASP HBx 1.0 1.8 4.84 942 835 A 47 GLN HA A 48 ASP HBy 1.0 1.8 4.84 943 836 A 48 ASP H A 47 GLN HBx 1.0 1.8 3.63 944 836 A 48 ASP H A 47 GLN HBy 1.0 1.8 3.63 945 837 A 56 LEU HDx% A 47 GLN HBx 1.0 1.8 3.91 946 837 A 56 LEU HDx% A 47 GLN HBy 1.0 1.8 3.91 947 838 A 47 GLN HE2y A 47 GLN HGx 1.0 1.8 3.34 948 838 A 47 GLN HE2x A 47 GLN HGx 1.0 1.8 3.34 949 838 A 47 GLN HE2x A 47 GLN HGy 1.0 1.8 3.34 950 838 A 47 GLN HE2y A 47 GLN HGy 1.0 1.8 3.34 951 839 A 48 ASP H A 47 GLN HGy 1.0 1.8 4.98 952 839 A 48 ASP H A 47 GLN HGx 1.0 1.8 4.98 953 840 A 56 LEU HDx% A 47 GLN HGy 1.0 1.8 4.11 954 840 A 56 LEU HDx% A 47 GLN HGx 1.0 1.8 4.11 955 841 A 56 LEU HDx% A 47 GLN HE2y 1.0 1.8 4.20 956 841 A 56 LEU HDx% A 47 GLN HE2x 1.0 1.8 4.20 957 842 A 48 ASP HA A 54 VAL HGy% 1.0 1.8 5.28 958 842 A 48 ASP HA A 54 VAL HGx% 1.0 1.8 5.28 959 843 A 49 GLY H A 48 ASP HBx 1.0 1.8 3.91 960 843 A 49 GLY H A 48 ASP HBy 1.0 1.8 3.91 961 844 A 49 GLY HAy A 48 ASP HBx 1.0 1.8 4.90 962 844 A 49 GLY HAy A 48 ASP HBy 1.0 1.8 4.90 963 845 A 53 THR HG2% A 48 ASP HBx 1.0 1.8 4.79 964 845 A 53 THR HG2% A 48 ASP HBy 1.0 1.8 4.79 965 846 A 49 GLY H A 54 VAL HGy% 1.0 1.8 4.84 966 846 A 49 GLY H A 54 VAL HGx% 1.0 1.8 4.84 967 847 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.45 968 847 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.45 969 848 A 51 GLU H A 50 ASP HBx 1.0 1.8 3.73 970 848 A 51 GLU H A 50 ASP HBy 1.0 1.8 3.73 971 849 A 51 GLU H A 51 GLU HBx 1.0 1.8 3.31 972 849 A 51 GLU H A 51 GLU HBy 1.0 1.8 3.31 973 850 A 51 GLU HA A 51 GLU HGy 1.0 1.8 3.63 974 850 A 51 GLU HA A 51 GLU HGx 1.0 1.8 3.63 975 851 A 52 GLY H A 51 GLU HGy 1.0 1.8 4.83 976 851 A 52 GLY H A 51 GLU HGx 1.0 1.8 4.83 977 852 A 53 THR H A 52 GLY HAy 1.0 1.8 3.21 978 852 A 53 THR H A 52 GLY HAx 1.0 1.8 3.21 979 853 A 53 THR H A 87 ASP HBx 1.0 1.8 4.41 980 853 A 53 THR H A 87 ASP HBy 1.0 1.8 4.41 981 854 A 53 THR HB A 86 VAL HG2% 1.0 1.8 3.76 982 854 A 53 THR HB A 86 VAL HG1% 1.0 1.8 3.76 983 855 A 53 THR HG2% A 86 VAL HG2% 1.0 1.8 3.16 984 855 A 53 THR HG2% A 86 VAL HG1% 1.0 1.8 3.16 985 856 A 54 VAL H A 54 VAL HGy% 1.0 1.8 3.60 986 856 A 54 VAL H A 54 VAL HGx% 1.0 1.8 3.60 987 857 A 54 VAL HA A 86 VAL HG2% 1.0 1.8 4.59 988 857 A 54 VAL HA A 86 VAL HG1% 1.0 1.8 4.59 989 858 A 55 ALA H A 54 VAL HGy% 1.0 1.8 3.64 990 858 A 55 ALA H A 54 VAL HGx% 1.0 1.8 3.64 991 859 A 55 ALA HA A 54 VAL HGy% 1.0 1.8 5.71 992 859 A 55 ALA HA A 54 VAL HGx% 1.0 1.8 5.71 993 860 A 56 LEU HG A 54 VAL HGy% 1.0 1.8 4.74 994 860 A 56 LEU HG A 54 VAL HGx% 1.0 1.8 4.74 995 861 A 88 ASP H A 54 VAL HGy% 1.0 1.8 4.56 996 861 A 88 ASP H A 54 VAL HGx% 1.0 1.8 4.56 997 862 A 54 VAL HGx% A 88 ASP HBy 1.0 1.8 3.57 998 862 A 54 VAL HGy% A 88 ASP HBy 1.0 1.8 3.57 999 862 A 88 ASP HBx A 54 VAL HGy% 1.0 1.8 3.57 1000 862 A 54 VAL HGx% A 88 ASP HBx 1.0 1.8 3.57 1001 863 A 54 VAL HGx% A 88 ASP HBx 1.0 1.8 6.10 1002 864 A 88 ASP HBx A 54 VAL HGy% 1.0 1.8 6.10 1003 865 A 89 ILE HA A 54 VAL HGy% 1.0 1.8 3.97 1004 865 A 89 ILE HA A 54 VAL HGx% 1.0 1.8 3.97 1005 866 A 90 ARG H A 54 VAL HGy% 1.0 1.8 4.03 1006 866 A 90 ARG H A 54 VAL HGx% 1.0 1.8 4.03 1007 867 A 54 VAL HGy% A 90 ARG HGy 1.0 1.8 5.00 1008 867 A 54 VAL HGx% A 90 ARG HGy 1.0 1.8 5.00 1009 867 A 90 ARG HGx A 54 VAL HGy% 1.0 1.8 5.00 1010 867 A 54 VAL HGx% A 90 ARG HGx 1.0 1.8 5.00 1011 868 A 55 ALA H A 86 VAL HG2% 1.0 1.8 4.11 1012 868 A 55 ALA H A 86 VAL HG1% 1.0 1.8 4.11 1013 869 A 55 ALA HA A 86 VAL HG2% 1.0 1.8 4.84 1014 869 A 55 ALA HA A 86 VAL HG1% 1.0 1.8 4.84 1015 870 A 56 LEU HDy% A 90 ARG HBx 1.0 1.8 3.18 1016 870 A 56 LEU HDy% A 90 ARG HBy 1.0 1.8 3.18 1017 871 A 56 LEU HDy% A 90 ARG HGy 1.0 1.8 4.05 1018 871 A 56 LEU HDy% A 90 ARG HGx 1.0 1.8 4.05 1019 872 A 56 LEU HDy% A 90 ARG HDx 1.0 1.8 4.14 1020 872 A 56 LEU HDy% A 90 ARG HDy 1.0 1.8 4.14 1021 873 A 57 ILE H A 57 ILE HG1x 1.0 1.8 3.83 1022 873 A 57 ILE H A 57 ILE HG1y 1.0 1.8 3.83 1023 874 A 57 ILE HA A 57 ILE HG1x 1.0 1.8 3.69 1024 874 A 57 ILE HA A 57 ILE HG1y 1.0 1.8 3.69 1025 875 A 57 ILE HB A 91 ILE HG1y 1.0 1.8 4.47 1026 875 A 57 ILE HB A 91 ILE HG1x 1.0 1.8 4.47 1027 876 A 57 ILE HG2% A 59 MET HBx 1.0 1.8 4.58 1028 876 A 57 ILE HG2% A 59 MET HBy 1.0 1.8 4.58 1029 877 A 57 ILE HG2% A 59 MET HGx 1.0 1.8 3.63 1030 877 A 57 ILE HG2% A 59 MET HGy 1.0 1.8 3.63 1031 878 A 58 ASP H A 57 ILE HG1x 1.0 1.8 5.16 1032 878 A 58 ASP H A 57 ILE HG1y 1.0 1.8 5.16 1033 879 A 58 ASP H A 58 ASP HBy 1.0 1.8 3.58 1034 879 A 58 ASP H A 58 ASP HBx 1.0 1.8 3.58 1035 880 A 58 ASP HA A 92 ASN HBy 1.0 1.8 4.37 1036 880 A 58 ASP HA A 92 ASN HBx 1.0 1.8 4.37 1037 881 A 58 ASP HA A 92 ASN HD2y 1.0 1.8 4.81 1038 881 A 58 ASP HA A 92 ASN HD2x 1.0 1.8 4.81 1039 882 A 58 ASP HA A 94 VAL HGy% 1.0 1.8 4.19 1040 882 A 58 ASP HA A 94 VAL HGx% 1.0 1.8 4.19 1041 883 A 59 MET H A 58 ASP HBy 1.0 1.8 4.66 1042 883 A 59 MET H A 58 ASP HBx 1.0 1.8 4.66 1043 884 A 58 ASP HBy A 94 VAL HGy% 1.0 1.8 3.71 1044 884 A 58 ASP HBx A 94 VAL HGy% 1.0 1.8 3.71 1045 884 A 94 VAL HGx% A 58 ASP HBy 1.0 1.8 3.71 1046 884 A 58 ASP HBx A 94 VAL HGx% 1.0 1.8 3.71 1047 885 A 59 MET H A 92 ASN HBy 1.0 1.8 5.61 1048 885 A 59 MET H A 92 ASN HBx 1.0 1.8 5.61 1049 886 A 59 MET H A 94 VAL HGy% 1.0 1.8 4.33 1050 886 A 59 MET H A 94 VAL HGx% 1.0 1.8 4.33 1051 887 A 59 MET HE% A 59 MET HBx 1.0 1.8 4.24 1052 887 A 59 MET HE% A 59 MET HBy 1.0 1.8 4.24 1053 888 A 60 THR H A 59 MET HBx 1.0 1.8 4.14 1054 888 A 60 THR H A 59 MET HBy 1.0 1.8 4.14 1055 889 A 72 ILE HD1% A 59 MET HBx 1.0 1.8 3.86 1056 889 A 72 ILE HD1% A 59 MET HBy 1.0 1.8 3.86 1057 890 A 91 ILE HG2% A 59 MET HBx 1.0 1.8 3.92 1058 890 A 91 ILE HG2% A 59 MET HBy 1.0 1.8 3.92 1059 891 A 91 ILE HD1% A 59 MET HBx 1.0 1.8 4.58 1060 891 A 91 ILE HD1% A 59 MET HBy 1.0 1.8 4.58 1061 892 A 59 MET HE% A 59 MET HGx 1.0 1.8 3.48 1062 892 A 59 MET HE% A 59 MET HGy 1.0 1.8 3.48 1063 893 A 60 THR H A 59 MET HGx 1.0 1.8 4.79 1064 893 A 60 THR H A 59 MET HGy 1.0 1.8 4.79 1065 894 A 59 MET HE% A 61 LEU HD21 1.0 1.8 3.39 1066 894 A 59 MET HE% A 61 LEU HD11 1.0 1.8 3.39 1067 895 A 60 THR HB A 94 VAL HGy% 1.0 1.8 4.06 1068 895 A 60 THR HB A 94 VAL HGx% 1.0 1.8 4.06 1069 896 A 61 LEU H A 61 LEU HBx 1.0 1.8 3.73 1070 896 A 61 LEU H A 61 LEU HBy 1.0 1.8 3.73 1071 897 A 61 LEU H A 61 LEU HD21 1.0 1.8 3.58 1072 897 A 61 LEU H A 61 LEU HD11 1.0 1.8 3.58 1073 898 A 62 THR H A 61 LEU HBx 1.0 1.8 4.08 1074 898 A 62 THR H A 61 LEU HBy 1.0 1.8 4.08 1075 899 A 63 SER H A 61 LEU HBx 1.0 1.8 3.45 1076 899 A 63 SER H A 61 LEU HBy 1.0 1.8 3.45 1077 900 A 61 LEU HBy A 66 CYS HBy 1.0 1.8 4.50 1078 900 A 61 LEU HBx A 66 CYS HBy 1.0 1.8 4.50 1079 900 A 66 CYS HBx A 61 LEU HBx 1.0 1.8 4.50 1080 900 A 61 LEU HBy A 66 CYS HBx 1.0 1.8 4.50 1081 901 A 62 THR H A 61 LEU HD21 1.0 1.8 5.16 1082 901 A 62 THR H A 61 LEU HD11 1.0 1.8 5.16 1083 902 A 63 SER H A 61 LEU HD21 1.0 1.8 5.23 1084 902 A 63 SER H A 61 LEU HD11 1.0 1.8 5.23 1085 903 A 72 ILE H A 61 LEU HD21 1.0 1.8 4.52 1086 903 A 72 ILE H A 61 LEU HD11 1.0 1.8 4.52 1087 904 A 72 ILE HB A 61 LEU HD21 1.0 1.8 4.64 1088 904 A 72 ILE HB A 61 LEU HD11 1.0 1.8 4.64 1089 905 A 61 LEU HD11 A 72 ILE HG1x 1.0 1.8 3.51 1090 905 A 61 LEU HD21 A 72 ILE HG1x 1.0 1.8 3.51 1091 905 A 72 ILE HG1y A 61 LEU HD21 1.0 1.8 3.51 1092 905 A 61 LEU HD11 A 72 ILE HG1y 1.0 1.8 3.51 1093 906 A 73 GLU H A 61 LEU HD21 1.0 1.8 5.60 1094 906 A 73 GLU H A 61 LEU HD11 1.0 1.8 5.60 1095 907 A 63 SER H A 63 SER HBy 1.0 1.8 3.81 1096 907 A 63 SER H A 63 SER HBx 1.0 1.8 3.81 1097 908 A 63 SER H A 66 CYS HBy 1.0 1.8 4.45 1098 908 A 63 SER H A 66 CYS HBx 1.0 1.8 4.45 1099 909 A 64 ALA H A 63 SER HBy 1.0 1.8 3.91 1100 909 A 64 ALA H A 63 SER HBx 1.0 1.8 3.91 1101 910 A 65 ALA H A 63 SER HBy 1.0 1.8 3.90 1102 910 A 65 ALA H A 63 SER HBx 1.0 1.8 3.90 1103 911 A 65 ALA HB% A 63 SER HBy 1.0 1.8 4.80 1104 911 A 65 ALA HB% A 63 SER HBx 1.0 1.8 4.80 1105 912 A 66 CYS H A 66 CYS HBy 1.0 1.8 3.58 1106 912 A 66 CYS H A 66 CYS HBx 1.0 1.8 3.58 1107 913 A 68 LEU H A 68 LEU HDy% 1.0 1.8 4.48 1108 913 A 68 LEU H A 68 LEU HDx% 1.0 1.8 4.48 1109 914 A 69 THR HG2% A 68 LEU HBy 1.0 1.8 5.15 1110 914 A 69 THR HG2% A 68 LEU HBx 1.0 1.8 5.15 1111 915 A 69 THR H A 72 ILE HG1x 1.0 1.8 4.93 1112 915 A 69 THR H A 72 ILE HG1y 1.0 1.8 4.93 1113 916 A 70 ASP H A 70 ASP HBy 1.0 1.8 3.45 1114 916 A 70 ASP H A 70 ASP HBx 1.0 1.8 3.45 1115 917 A 71 VAL H A 70 ASP HBy 1.0 1.8 4.02 1116 917 A 71 VAL H A 70 ASP HBx 1.0 1.8 4.02 1117 918 A 70 ASP HBy A 71 VAL HGx% 1.0 1.8 5.03 1118 918 A 71 VAL HGy% A 70 ASP HBy 1.0 1.8 5.03 1119 918 A 70 ASP HBx A 71 VAL HGy% 1.0 1.8 5.03 1120 918 A 70 ASP HBx A 71 VAL HGx% 1.0 1.8 5.03 1121 919 A 71 VAL H A 71 VAL HGx% 1.0 1.8 3.40 1122 919 A 71 VAL H A 71 VAL HGy% 1.0 1.8 3.40 1123 920 A 72 ILE HA A 71 VAL HGx% 1.0 1.8 4.33 1124 920 A 72 ILE HA A 71 VAL HGy% 1.0 1.8 4.33 1125 921 A 74 ASP HBx A 71 VAL HGx% 1.0 1.8 5.71 1126 921 A 74 ASP HBx A 71 VAL HGy% 1.0 1.8 5.71 1127 922 A 71 VAL HGx% A 75 GLN HGx 1.0 1.8 3.96 1128 922 A 71 VAL HGy% A 75 GLN HGx 1.0 1.8 3.96 1129 922 A 75 GLN HGy A 71 VAL HGx% 1.0 1.8 3.96 1130 922 A 75 GLN HGy A 71 VAL HGy% 1.0 1.8 3.96 1131 923 A 71 VAL HGx% A 75 GLN HE2x 1.0 1.8 3.37 1132 923 A 71 VAL HGy% A 75 GLN HE2x 1.0 1.8 3.37 1133 923 A 75 GLN HE2y A 71 VAL HGx% 1.0 1.8 3.37 1134 923 A 71 VAL HGy% A 75 GLN HE2y 1.0 1.8 3.37 1135 924 A 72 ILE H A 72 ILE HG1x 1.0 1.8 3.63 1136 924 A 72 ILE H A 72 ILE HG1y 1.0 1.8 3.63 1137 925 A 72 ILE HA A 75 GLN HE2x 1.0 1.8 4.86 1138 925 A 72 ILE HA A 75 GLN HE2y 1.0 1.8 4.86 1139 926 A 73 GLU HGy A 72 ILE HG1x 1.0 1.8 4.84 1140 926 A 73 GLU HGy A 72 ILE HG1y 1.0 1.8 4.84 1141 927 A 75 GLN H A 75 GLN HBx 1.0 1.8 3.64 1142 927 A 75 GLN H A 75 GLN HBy 1.0 1.8 3.64 1143 928 A 75 GLN H A 75 GLN HGx 1.0 1.8 3.79 1144 928 A 75 GLN H A 75 GLN HGy 1.0 1.8 3.79 1145 929 A 75 GLN HA A 75 GLN HGx 1.0 1.8 3.27 1146 929 A 75 GLN HA A 75 GLN HGy 1.0 1.8 3.27 1147 930 A 76 SER H A 76 SER HBy 1.0 1.8 3.62 1148 930 A 76 SER H A 76 SER HBx 1.0 1.8 3.62 1149 931 A 77 ARG H A 77 ARG HBy 1.0 1.8 3.55 1150 931 A 77 ARG H A 77 ARG HBx 1.0 1.8 3.55 1151 932 A 77 ARG H A 77 ARG HGy 1.0 1.8 4.67 1152 932 A 77 ARG H A 77 ARG HGx 1.0 1.8 4.67 1153 933 A 78 SER H A 77 ARG HBy 1.0 1.8 4.32 1154 933 A 78 SER H A 77 ARG HBx 1.0 1.8 4.32 1155 934 A 89 ILE HG2% A 77 ARG HBy 1.0 1.8 4.30 1156 934 A 89 ILE HG2% A 77 ARG HBx 1.0 1.8 4.30 1157 935 A 89 ILE HD1% A 77 ARG HBy 1.0 1.8 4.29 1158 935 A 89 ILE HD1% A 77 ARG HBx 1.0 1.8 4.29 1159 936 A 78 SER H A 77 ARG HGy 1.0 1.8 4.91 1160 936 A 78 SER H A 77 ARG HGx 1.0 1.8 4.91 1161 937 A 78 SER H A 78 SER HBx 1.0 1.8 3.53 1162 937 A 78 SER H A 78 SER HBy 1.0 1.8 3.53 1163 938 A 80 LEU HBy A 86 VAL HG2% 1.0 1.8 4.24 1164 938 A 80 LEU HBy A 86 VAL HG1% 1.0 1.8 4.24 1165 939 A 81 VAL H A 81 VAL HGy% 1.0 1.8 4.13 1166 939 A 81 VAL H A 81 VAL HGx% 1.0 1.8 4.13 1167 940 A 82 GLY H A 81 VAL HGy% 1.0 1.8 4.56 1168 940 A 82 GLY H A 81 VAL HGx% 1.0 1.8 4.56 1169 941 A 83 SER H A 81 VAL HGy% 1.0 1.8 5.71 1170 941 A 83 SER H A 81 VAL HGx% 1.0 1.8 5.71 1171 942 A 83 SER H A 83 SER HBy 1.0 1.8 3.51 1172 942 A 83 SER H A 83 SER HBx 1.0 1.8 3.51 1173 943 A 83 SER H A 85 LEU HDy% 1.0 1.8 5.71 1174 943 A 83 SER H A 85 LEU HDx% 1.0 1.8 5.71 1175 944 A 83 SER HA A 85 LEU HDy% 1.0 1.8 5.48 1176 944 A 85 LEU HDx% A 83 SER HA 1.0 1.8 5.48 1177 945 A 85 LEU H A 83 SER HBy 1.0 1.8 4.42 1178 945 A 85 LEU H A 83 SER HBx 1.0 1.8 4.42 1179 946 A 83 SER HBy A 85 LEU HDy% 1.0 1.8 3.28 1180 946 A 83 SER HBx A 85 LEU HDy% 1.0 1.8 3.28 1181 946 A 85 LEU HDx% A 83 SER HBy 1.0 1.8 3.28 1182 946 A 85 LEU HDx% A 83 SER HBx 1.0 1.8 3.28 1183 947 A 84 GLY H A 85 LEU HDy% 1.0 1.8 5.03 1184 947 A 84 GLY H A 85 LEU HDx% 1.0 1.8 5.03 1185 948 A 85 LEU H A 85 LEU HBx 1.0 1.8 3.57 1186 948 A 85 LEU H A 85 LEU HBy 1.0 1.8 3.57 1187 949 A 85 LEU H A 85 LEU HDy% 1.0 1.8 4.24 1188 949 A 85 LEU H A 85 LEU HDx% 1.0 1.8 4.24 1189 950 A 85 LEU HA A 85 LEU HDy% 1.0 1.8 3.37 1190 950 A 85 LEU HA A 85 LEU HDx% 1.0 1.8 3.37 1191 951 A 85 LEU HBx A 85 LEU HDy% 1.0 1.8 3.00 1192 951 A 85 LEU HBy A 85 LEU HDy% 1.0 1.8 3.00 1193 951 A 85 LEU HDx% A 85 LEU HBx 1.0 1.8 3.00 1194 951 A 85 LEU HDx% A 85 LEU HBy 1.0 1.8 3.00 1195 952 A 86 VAL H A 85 LEU HBx 1.0 1.8 3.62 1196 952 A 86 VAL H A 85 LEU HBy 1.0 1.8 3.62 1197 953 A 86 VAL H A 86 VAL HG2% 1.0 1.8 3.39 1198 953 A 86 VAL H A 86 VAL HG1% 1.0 1.8 3.39 1199 954 A 86 VAL HA A 86 VAL HG2% 1.0 1.8 3.29 1200 954 A 86 VAL HA A 86 VAL HG1% 1.0 1.8 3.29 1201 955 A 88 ASP H A 86 VAL HG2% 1.0 1.8 4.30 1202 955 A 88 ASP H A 86 VAL HG1% 1.0 1.8 4.30 1203 956 A 89 ILE HG2% A 86 VAL HG2% 1.0 1.8 2.87 1204 956 A 89 ILE HG2% A 86 VAL HG1% 1.0 1.8 2.87 1205 957 A 87 ASP H A 87 ASP HBx 1.0 1.8 3.69 1206 957 A 87 ASP H A 87 ASP HBy 1.0 1.8 3.69 1207 958 A 88 ASP H A 87 ASP HBx 1.0 1.8 3.70 1208 958 A 88 ASP H A 87 ASP HBy 1.0 1.8 3.70 1209 959 A 89 ILE H A 88 ASP HBy 1.0 1.8 4.32 1210 959 A 89 ILE H A 88 ASP HBx 1.0 1.8 4.32 1211 960 A 89 ILE H A 89 ILE HG1x 1.0 1.8 3.75 1212 960 A 89 ILE H A 89 ILE HG1y 1.0 1.8 3.75 1213 961 A 90 ARG H A 89 ILE HG1x 1.0 1.8 4.73 1214 961 A 90 ARG H A 89 ILE HG1y 1.0 1.8 4.73 1215 962 A 90 ARG H A 90 ARG HGy 1.0 1.8 5.61 1216 962 A 90 ARG H A 90 ARG HGx 1.0 1.8 5.61 1217 963 A 90 ARG HA A 90 ARG HGy 1.0 1.8 3.90 1218 963 A 90 ARG HA A 90 ARG HGx 1.0 1.8 3.90 1219 964 A 91 ILE H A 90 ARG HBx 1.0 1.8 4.43 1220 964 A 91 ILE H A 90 ARG HBy 1.0 1.8 4.43 1221 965 A 90 ARG HBx A 91 ILE HG1y 1.0 1.8 5.44 1222 965 A 90 ARG HBy A 91 ILE HG1y 1.0 1.8 5.44 1223 965 A 91 ILE HG1x A 90 ARG HBx 1.0 1.8 5.44 1224 965 A 90 ARG HBy A 91 ILE HG1x 1.0 1.8 5.44 1225 966 A 105 THR H A 90 ARG HBx 1.0 1.8 5.61 1226 966 A 105 THR H A 90 ARG HBy 1.0 1.8 5.61 1227 967 A 103 LYS HA A 90 ARG HGy 1.0 1.8 4.01 1228 967 A 103 LYS HA A 90 ARG HGx 1.0 1.8 4.01 1229 968 A 103 LYS HBy A 90 ARG HGy 1.0 1.8 5.61 1230 968 A 103 LYS HBy A 90 ARG HGx 1.0 1.8 5.61 1231 969 A 103 LYS HBx A 90 ARG HGy 1.0 1.8 4.78 1232 969 A 103 LYS HBx A 90 ARG HGx 1.0 1.8 4.78 1233 970 A 91 ILE H A 91 ILE HG1y 1.0 1.8 3.92 1234 970 A 91 ILE H A 91 ILE HG1x 1.0 1.8 3.92 1235 971 A 91 ILE HA A 91 ILE HG1y 1.0 1.8 3.90 1236 971 A 91 ILE HA A 91 ILE HG1x 1.0 1.8 3.90 1237 972 A 91 ILE HG2% A 91 ILE HG1y 1.0 1.8 3.35 1238 972 A 91 ILE HG2% A 91 ILE HG1x 1.0 1.8 3.35 1239 973 A 92 ASN H A 91 ILE HG1y 1.0 1.8 5.34 1240 973 A 92 ASN H A 91 ILE HG1x 1.0 1.8 5.34 1241 974 A 92 ASN H A 92 ASN HBy 1.0 1.8 3.53 1242 974 A 92 ASN H A 92 ASN HBx 1.0 1.8 3.53 1243 975 A 92 ASN H A 94 VAL HGy% 1.0 1.8 5.71 1244 975 A 92 ASN H A 94 VAL HGx% 1.0 1.8 5.71 1245 976 A 92 ASN HD2y A 92 ASN HBx 1.0 1.8 3.30 1246 976 A 92 ASN HD2x A 92 ASN HBy 1.0 1.8 3.30 1247 976 A 92 ASN HD2y A 92 ASN HBy 1.0 1.8 3.30 1248 976 A 92 ASN HD2x A 92 ASN HBx 1.0 1.8 3.30 1249 977 A 93 TRP H A 92 ASN HBy 1.0 1.8 4.58 1250 977 A 93 TRP H A 92 ASN HBx 1.0 1.8 4.58 1251 978 A 92 ASN HBx A 94 VAL HGy% 1.0 1.8 4.75 1252 978 A 92 ASN HBy A 94 VAL HGy% 1.0 1.8 4.75 1253 978 A 94 VAL HGx% A 92 ASN HBy 1.0 1.8 4.75 1254 978 A 92 ASN HBx A 94 VAL HGx% 1.0 1.8 4.75 1255 979 A 92 ASN HD2x A 94 VAL HGy% 1.0 1.8 3.80 1256 979 A 92 ASN HD2y A 94 VAL HGx% 1.0 1.8 3.80 1257 979 A 92 ASN HD2x A 94 VAL HGx% 1.0 1.8 3.80 1258 979 A 92 ASN HD2y A 94 VAL HGy% 1.0 1.8 3.80 1259 980 A 93 TRP H A 93 TRP HBy 1.0 1.8 3.60 1260 980 A 93 TRP H A 93 TRP HBx 1.0 1.8 3.60 1261 981 A 93 TRP HE1 A 93 TRP HBy 1.0 1.8 4.75 1262 981 A 93 TRP HE1 A 93 TRP HBx 1.0 1.8 4.75 1263 982 A 94 VAL H A 93 TRP HBy 1.0 1.8 4.59 1264 982 A 94 VAL H A 93 TRP HBx 1.0 1.8 4.59 1265 983 A 95 TRP HE1 A 93 TRP HBy 1.0 1.8 4.65 1266 983 A 95 TRP HE1 A 93 TRP HBx 1.0 1.8 4.65 1267 984 A 94 VAL H A 94 VAL HGy% 1.0 1.8 3.53 1268 984 A 94 VAL H A 94 VAL HGx% 1.0 1.8 3.53 1269 985 A 95 TRP H A 94 VAL HGy% 1.0 1.8 4.67 1270 985 A 95 TRP H A 94 VAL HGx% 1.0 1.8 4.67 1271 986 A 95 TRP HA A 94 VAL HGy% 1.0 1.8 4.49 1272 986 A 94 VAL HGx% A 95 TRP HA 1.0 1.8 4.49 1273 987 A 96 ASN H A 94 VAL HGy% 1.0 1.8 4.26 1274 987 A 96 ASN H A 94 VAL HGx% 1.0 1.8 4.26 1275 988 A 99 TRP HZ2 A 94 VAL HGy% 1.0 1.8 3.98 1276 988 A 99 TRP HZ2 A 94 VAL HGx% 1.0 1.8 3.98 1277 989 A 96 ASN H A 95 TRP HBy 1.0 1.8 4.44 1278 989 A 96 ASN H A 95 TRP HBx 1.0 1.8 4.44 1279 990 A 96 ASN H A 96 ASN HBy 1.0 1.8 3.56 1280 990 A 96 ASN H A 96 ASN HBx 1.0 1.8 3.56 1281 991 A 100 GLY H A 99 TRP HBy 1.0 1.8 4.27 1282 991 A 100 GLY H A 99 TRP HBx 1.0 1.8 4.27 1283 992 A 99 TRP HBy A 103 LYS HGx 1.0 1.8 3.64 1284 992 A 99 TRP HBx A 103 LYS HGx 1.0 1.8 3.64 1285 992 A 103 LYS HGy A 99 TRP HBy 1.0 1.8 3.64 1286 992 A 99 TRP HBx A 103 LYS HGy 1.0 1.8 3.64 1287 993 A 100 GLY H A 103 LYS HGx 1.0 1.8 4.15 1288 993 A 100 GLY H A 103 LYS HGy 1.0 1.8 4.15 1289 994 A 100 GLY HA3 A 101 PRO HDy 1.0 1.8 3.36 1290 994 A 100 GLY HA2 A 101 PRO HDy 1.0 1.8 3.36 1291 994 A 101 PRO HDx A 100 GLY HA2 1.0 1.8 3.36 1292 994 A 100 GLY HA3 A 101 PRO HDx 1.0 1.8 3.36 1293 995 A 102 ASP H A 100 GLY HA2 1.0 1.8 4.76 1294 995 A 102 ASP H A 100 GLY HA3 1.0 1.8 4.76 1295 996 A 102 ASP H A 101 PRO HBy 1.0 1.8 3.82 1296 996 A 102 ASP H A 101 PRO HBx 1.0 1.8 3.82 1297 997 A 103 LYS H A 101 PRO HBy 1.0 1.8 5.61 1298 997 A 103 LYS H A 101 PRO HBx 1.0 1.8 5.61 1299 998 A 102 ASP H A 101 PRO HGx 1.0 1.8 4.25 1300 998 A 102 ASP H A 101 PRO HGy 1.0 1.8 4.25 1301 999 A 103 LYS H A 101 PRO HGx 1.0 1.8 5.62 1302 999 A 103 LYS H A 101 PRO HGy 1.0 1.8 5.62 1303 1000 A 102 ASP H A 101 PRO HDy 1.0 1.8 4.45 1304 1000 A 102 ASP H A 101 PRO HDx 1.0 1.8 4.45 1305 1001 A 102 ASP H A 102 ASP HBy 1.0 1.8 3.63 1306 1001 A 102 ASP H A 102 ASP HBx 1.0 1.8 3.63 1307 1002 A 103 LYS H A 102 ASP HBy 1.0 1.8 4.58 1308 1002 A 103 LYS H A 102 ASP HBx 1.0 1.8 4.58 1309 1003 A 103 LYS H A 104 ILE HG1x 1.0 1.8 4.52 1310 1003 A 103 LYS H A 104 ILE HG1y 1.0 1.8 4.52 1311 1004 A 103 LYS HA A 104 ILE HG1x 1.0 1.8 5.31 1312 1004 A 103 LYS HA A 104 ILE HG1y 1.0 1.8 5.31 1313 1005 A 103 LYS HBy A 104 ILE HG1x 1.0 1.8 4.64 1314 1005 A 103 LYS HBy A 104 ILE HG1y 1.0 1.8 4.64 1315 1006 A 104 ILE H A 104 ILE HG1x 1.0 1.8 4.11 1316 1006 A 104 ILE H A 104 ILE HG1y 1.0 1.8 4.11 1317 1007 A 104 ILE HG2% A 108 GLY HAx 1.0 1.8 4.21 1318 1007 A 104 ILE HG2% A 108 GLY HAy 1.0 1.8 4.21 1319 1008 A 105 THR HB A 106 GLU HBy 1.0 1.8 4.60 1320 1008 A 105 THR HB A 106 GLU HBx 1.0 1.8 4.60 1321 1009 A 106 GLU H A 106 GLU HBy 1.0 1.8 3.79 1322 1009 A 106 GLU H A 106 GLU HBx 1.0 1.8 3.79 1323 1010 A 106 GLU H A 106 GLU HGy 1.0 1.8 4.64 1324 1010 A 106 GLU H A 106 GLU HGx 1.0 1.8 4.64 1325 1011 A 106 GLU HA A 109 ARG HBx 1.0 1.8 4.34 1326 1011 A 106 GLU HA A 109 ARG HBy 1.0 1.8 4.34 1327 1012 A 107 ASP H A 106 GLU HBy 1.0 1.8 4.32 1328 1012 A 107 ASP H A 106 GLU HBx 1.0 1.8 4.32 1329 1013 A 107 ASP H A 106 GLU HGy 1.0 1.8 5.09 1330 1013 A 107 ASP H A 106 GLU HGx 1.0 1.8 5.09 1331 1014 A 107 ASP H A 107 ASP HBy 1.0 1.8 3.31 1332 1014 A 107 ASP H A 107 ASP HBx 1.0 1.8 3.31 1333 1015 A 108 GLY H A 107 ASP HBy 1.0 1.8 4.15 1334 1015 A 108 GLY H A 107 ASP HBx 1.0 1.8 4.15 1335 1016 A 109 ARG H A 109 ARG HGy 1.0 1.8 4.81 1336 1016 A 109 ARG H A 109 ARG HGx 1.0 1.8 4.81 1337 1017 A 110 GLU H A 109 ARG HBx 1.0 1.8 4.00 1338 1017 A 110 GLU H A 109 ARG HBy 1.0 1.8 4.00 1339 1018 A 110 GLU HA A 109 ARG HBx 1.0 1.8 4.13 1340 1018 A 110 GLU HA A 109 ARG HBy 1.0 1.8 4.13 1341 1019 A 110 GLU HA A 111 GLN HGx 1.0 1.8 4.46 1342 1019 A 110 GLU HA A 111 GLN HGy 1.0 1.8 4.46 1343 1020 A 110 GLU HBy A 111 GLN HGx 1.0 1.8 3.63 1344 1020 A 110 GLU HBx A 111 GLN HGx 1.0 1.8 3.63 1345 1020 A 111 GLN HGy A 110 GLU HBx 1.0 1.8 3.63 1346 1020 A 111 GLN HGy A 110 GLU HBy 1.0 1.8 3.63 1347 1021 A 111 GLN H A 111 GLN HGx 1.0 1.8 4.00 1348 1021 A 111 GLN H A 111 GLN HGy 1.0 1.8 4.00 1349 1022 A 111 GLN HBy A 111 GLN HE2x 1.0 1.8 4.32 1350 1022 A 111 GLN HBx A 111 GLN HE2x 1.0 1.8 4.32 1351 1022 A 111 GLN HE2y A 111 GLN HBy 1.0 1.8 4.32 1352 1022 A 111 GLN HBx A 111 GLN HE2y 1.0 1.8 4.32 1353 1023 A 111 GLN HE2y A 111 GLN HGx 1.0 1.8 3.34 1354 1023 A 111 GLN HE2x A 111 GLN HGx 1.0 1.8 3.34 1355 1023 A 111 GLN HGy A 111 GLN HE2x 1.0 1.8 3.34 1356 1023 A 111 GLN HGy A 111 GLN HE2y 1.0 1.8 3.34 1357 1024 A 113 ARG H A 112 LEU HBy 1.0 1.8 3.31 1358 1024 A 113 ARG H A 112 LEU HBx 1.0 1.8 3.31 1359 1025 A 114 ALA H A 112 LEU HBy 1.0 1.8 3.85 1360 1025 A 114 ALA H A 112 LEU HBx 1.0 1.8 3.85 1361 1026 A 113 ARG H A 115 LEU HB3 1.0 1.8 5.43 1362 1026 A 113 ARG H A 115 LEU HB2 1.0 1.8 5.43 1363 1027 A 113 ARG HA A 115 LEU HB3 1.0 1.8 5.19 1364 1027 A 115 LEU HB2 A 113 ARG HA 1.0 1.8 5.19 1365 1028 A 114 ALA H A 113 ARG HBx 1.0 1.8 4.32 1366 1028 A 114 ALA H A 113 ARG HBy 1.0 1.8 4.32 1367 1029 A 114 ALA H A 115 LEU HB3 1.0 1.8 4.84 1368 1029 A 114 ALA H A 115 LEU HB2 1.0 1.8 4.84 1369 1030 A 115 LEU H A 115 LEU HB3 1.0 1.8 3.56 1370 1030 A 115 LEU H A 115 LEU HB2 1.0 1.8 3.56 1371 1031 A 115 LEU H A 116 GLY HA2 1.0 1.8 4.97 1372 1031 A 115 LEU H A 116 GLY HA3 1.0 1.8 4.97 1373 1032 A 119 VAL H A 119 VAL HGy% 1.0 1.8 3.40 1374 1032 A 119 VAL H A 119 VAL HGx% 1.0 1.8 3.40 1375 1033 A 99 TRP HD1 A 40 LEU HDx% 1.0 1.8 5.78 1376 1034 A 99 TRP HD1 A 40 LEU HDy% 1.0 1.8 6.30 1377 1035 A 99 TRP HE1 A 40 LEU HDy% 1.0 1.8 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 15 LEU H A 11 PRO O 1.0 1.8 2.0 2 2 A 11 PRO O A 15 LEU N 1.0 2.7 3.0 3 3 A 18 ASP H A 14 GLU O 1.0 1.8 2.0 4 4 A 14 GLU O A 18 ASP N 1.0 2.7 3.0 5 5 A 19 VAL H A 15 LEU O 1.0 1.8 2.0 6 6 A 15 LEU O A 19 VAL N 1.0 2.7 3.0 7 7 A 20 GLU H A 16 LEU O 1.0 1.8 2.0 8 8 A 16 LEU O A 20 GLU N 1.0 2.7 3.0 9 9 A 21 GLU H A 17 ALA O 1.0 1.8 2.0 10 10 A 17 ALA O A 21 GLU N 1.0 2.7 3.0 11 11 A 22 ALA H A 18 ASP O 1.0 1.8 2.0 12 12 A 18 ASP O A 22 ALA N 1.0 2.7 3.0 13 13 A 23 MET H A 19 VAL O 1.0 1.8 2.0 14 14 A 19 VAL O A 23 MET N 1.0 2.7 3.0 15 15 A 24 ARG H A 21 GLU O 1.0 1.8 2.0 16 16 A 21 GLU O A 24 ARG N 1.0 2.7 3.0 17 17 A 26 VAL H A 22 ALA O 1.0 1.8 2.0 18 18 A 22 ALA O A 26 VAL N 1.0 2.7 3.0 19 19 A 25 ASP H A 22 ALA O 1.0 1.8 2.0 20 20 A 22 ALA O A 25 ASP N 1.0 2.7 3.0 21 21 A 55 ALA H A 88 ASP O 1.0 1.8 2.0 22 22 A 88 ASP O A 55 ALA N 1.0 2.7 3.0 23 23 A 57 ILE H A 90 ARG O 1.0 1.8 2.0 24 24 A 90 ARG O A 57 ILE N 1.0 2.7 3.0 25 25 A 59 MET H A 92 ASN O 1.0 1.8 2.0 26 26 A 92 ASN O A 59 MET N 1.0 2.7 3.0 27 27 A 90 ARG H A 55 ALA O 1.0 1.8 2.0 28 28 A 55 ALA O A 90 ARG N 1.0 2.7 3.0 29 29 A 92 ASN H A 57 ILE O 1.0 1.8 2.0 30 30 A 57 ILE O A 92 ASN N 1.0 2.7 3.0 31 31 A 72 ILE H A 68 LEU O 1.0 1.8 2.0 32 32 A 68 LEU O A 72 ILE N 1.0 2.7 3.0 33 33 A 73 GLU H A 69 THR O 1.0 1.8 2.0 34 34 A 69 THR O A 73 GLU N 1.0 2.7 3.0 35 35 A 74 ASP H A 70 ASP O 1.0 1.8 2.0 36 36 A 70 ASP O A 74 ASP N 1.0 2.7 3.0 37 37 A 75 GLN H A 71 VAL O 1.0 1.8 2.0 38 38 A 71 VAL O A 75 GLN N 1.0 2.7 3.0 39 39 A 76 SER H A 72 ILE O 1.0 1.8 2.0 40 40 A 72 ILE O A 76 SER N 1.0 2.7 3.0 41 41 A 77 ARG H A 73 GLU O 1.0 1.8 2.0 42 42 A 73 GLU O A 77 ARG N 1.0 2.7 3.0 43 43 A 78 SER H A 74 ASP O 1.0 1.8 2.0 44 44 A 74 ASP O A 78 SER N 1.0 2.7 3.0 45 45 A 80 LEU H A 76 SER O 1.0 1.8 2.0 46 46 A 76 SER O A 80 LEU N 1.0 2.7 3.0 47 47 A 81 VAL H A 77 ARG O 1.0 1.8 2.0 48 48 A 77 ARG O A 81 VAL N 1.0 2.7 3.0 49 49 A 82 GLY H A 79 ALA O 1.0 1.8 2.0 50 50 A 79 ALA O A 82 GLY N 1.0 2.7 3.0 51 51 A 45 ASP H A 56 LEU O 1.0 1.8 2.0 52 52 A 56 LEU O A 45 ASP N 1.0 2.7 3.0 53 53 A 47 GLN H A 54 VAL O 1.0 1.8 2.0 54 54 A 54 VAL O A 47 GLN N 1.0 2.7 3.0 55 55 A 58 ASP H A 43 GLY O 1.0 1.8 2.0 56 56 A 43 GLY O A 58 ASP N 1.0 2.7 3.0 57 57 A 54 VAL H A 47 GLN O 1.0 1.8 2.0 58 58 A 47 GLN O A 54 VAL N 1.0 2.7 3.0 59 59 A 56 LEU H A 45 ASP O 1.0 1.8 2.0 60 60 A 45 ASP O A 56 LEU N 1.0 2.7 3.0 61 61 A 37 ASP H A 34 ASN O 1.0 1.8 2.0 62 62 A 34 ASN O A 37 ASP N 1.0 2.7 3.0 63 63 A 38 LEU H A 35 VAL O 1.0 1.8 2.0 64 64 A 35 VAL O A 38 LEU N 1.0 2.7 3.0 65 65 A 39 GLY H A 36 VAL O 1.0 1.8 2.0 66 66 A 36 VAL O A 39 GLY N 1.0 2.7 3.0 67 67 A 94 VAL H A 59 MET O 1.0 1.8 2.0 68 68 A 59 MET O A 94 VAL N 1.0 2.7 3.0 69 69 A 28 ASP H A 33 ILE O 1.0 1.8 2.0 70 70 A 33 ILE O A 28 ASP N 1.0 2.7 3.0 71 71 A 33 ILE H A 28 ASP O 1.0 1.8 2.0 72 72 A 28 ASP O A 33 ILE N 1.0 2.7 3.0 73 73 A 43 GLY H A 40 LEU O 1.0 1.8 2.0 74 74 A 40 LEU O A 43 GLY N 1.0 2.7 3.0 75 75 A 104 ILE H A 101 PRO O 1.0 1.8 2.0 76 76 A 101 PRO O A 104 ILE N 1.0 2.7 3.0 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 11 PRO C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -77.7 -39.9 PHI 2 2 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 GLU N 1.0 -66.6 -9.8 PSI 3 3 A 12 ALA C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -77.0 -54.8 PHI 4 4 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 GLU N 1.0 -52.2 -25.6 PSI 5 5 A 13 GLU C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -81.0 -56.4 PHI 6 6 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 LEU N 1.0 -50.7 -27.7 PSI 7 7 A 14 GLU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -74.6 -54.6 PHI 8 8 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LEU N 1.0 -53.7 -33.7 PSI 9 9 A 15 LEU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -76.7 -48.1 PHI 10 10 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ALA N 1.0 -59.6 -21.2 PSI 11 11 A 16 LEU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -73.1 -53.1 PHI 12 12 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ASP N 1.0 -51.8 -30.0 PSI 13 13 A 17 ALA C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -82.0 -53.0 PHI 14 14 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 VAL N 1.0 -48.0 -28.0 PSI 15 15 A 18 ASP C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -75.3 -55.3 PHI 16 16 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLU N 1.0 -54.2 -33.0 PSI 17 17 A 19 VAL C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -69.0 -49.0 PHI 18 18 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 GLU N 1.0 -56.5 -35.9 PSI 19 19 A 20 GLU C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -72.3 -52.3 PHI 20 20 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ALA N 1.0 -50.7 -27.7 PSI 21 21 A 21 GLU C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -81.6 -55.4 PHI 22 22 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 MET N 1.0 -51.5 -31.5 PSI 23 23 A 22 ALA C A 23 MET N A 23 MET CA A 23 MET C 1.0 -80.5 -53.3 PHI 24 24 A 23 MET N A 23 MET CA A 23 MET C A 24 ARG N 1.0 -52.0 -13.8 PSI 25 25 A 23 MET C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -101.1 -44.5 PHI 26 26 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ASP N 1.0 -51.8 10.8 PSI 27 27 A 24 ARG C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -119.4 -80.4 PHI 28 28 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 VAL N 1.0 -27.0 33.2 PSI 29 29 A 27 VAL C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -155.8 -57.4 PHI 30 30 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 PRO N 1.0 72.5 186.5 PSI 31 31 A 29 PRO C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -68.4 -42.0 PHI 32 32 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LEU N 1.0 -57.5 -24.3 PSI 33 33 A 30 GLU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -114.9 -63.7 PHI 34 34 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 GLY N 1.0 -18.4 21.6 PSI 35 35 A 31 LEU C A 32 GLY N A 32 GLY CA A 32 GLY C 1.0 40.9 94.7 PHI 36 36 A 32 GLY N A 32 GLY CA A 32 GLY C A 33 ILE N 1.0 6.7 58.5 PSI 37 37 A 32 GLY C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -175.0 -77.2 PHI 38 38 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ASN N 1.0 140.4 179.0 PSI 39 39 A 34 ASN C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -90.8 -27.8 PHI 40 40 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 VAL N 1.0 -58.9 -9.7 PSI 41 41 A 35 VAL C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -87.0 -48.4 PHI 42 42 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ASP N 1.0 -54.2 -25.0 PSI 43 43 A 36 VAL C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -74.8 -52.8 PHI 44 44 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 LEU N 1.0 -59.1 -15.3 PSI 45 45 A 37 ASP C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -116.7 -61.7 PHI 46 46 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLY N 1.0 -35.7 29.9 PSI 47 47 A 38 LEU C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 49.0 72.2 PHI 48 48 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 LEU N 1.0 23.5 49.3 PSI 49 49 A 39 GLY C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -97.3 -77.1 PHI 50 50 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 VAL N 1.0 -31.4 9.0 PSI 51 51 A 43 GLY C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -168.8 -83.0 PHI 52 52 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ASP N 1.0 121.7 171.9 PSI 53 53 A 44 LEU C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -167.1 -100.7 PHI 54 54 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 VAL N 1.0 109.2 173.2 PSI 55 55 A 45 ASP C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -158.1 -85.5 PHI 56 56 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 GLN N 1.0 109.0 164.2 PSI 57 57 A 46 VAL C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -160.0 -98.0 PHI 58 58 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 ASP N 1.0 121.0 154.8 PSI 59 59 A 49 GLY C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -93.7 -27.5 PHI 60 60 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLU N 1.0 -72.2 11.0 PSI 61 61 A 50 ASP C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -112.9 -68.7 PHI 62 62 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLY N 1.0 -39.2 17.6 PSI 63 63 A 52 GLY C A 53 THR N A 53 THR CA A 53 THR C 1.0 -144.3 -70.9 PHI 64 64 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 102.7 146.3 PSI 65 65 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -151.3 -89.9 PHI 66 66 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 ALA N 1.0 123.8 171.4 PSI 67 67 A 54 VAL C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -152.3 -81.7 PHI 68 68 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 LEU N 1.0 98.8 154.2 PSI 69 69 A 55 ALA C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -140.2 -60.0 PHI 70 70 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ILE N 1.0 102.1 156.1 PSI 71 71 A 56 LEU C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -146.1 -85.5 PHI 72 72 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ASP N 1.0 106.2 149.4 PSI 73 73 A 57 ILE C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -136.6 -80.4 PHI 74 74 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 MET N 1.0 107.6 149.0 PSI 75 75 A 58 ASP C A 59 MET N A 59 MET CA A 59 MET C 1.0 -140.9 -101.5 PHI 76 76 A 59 MET N A 59 MET CA A 59 MET C A 60 THR N 1.0 111.4 170.4 PSI 77 77 A 59 MET C A 60 THR N A 60 THR CA A 60 THR C 1.0 -162.9 -83.7 PHI 78 78 A 60 THR N A 60 THR CA A 60 THR C A 61 LEU N 1.0 120.3 178.5 PSI 79 79 A 60 THR C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -172.7 -79.9 PHI 80 80 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 THR N 1.0 145.8 174.0 PSI 81 81 A 61 LEU C A 62 THR N A 62 THR CA A 62 THR C 1.0 -139.6 -33.2 PHI 82 82 A 62 THR N A 62 THR CA A 62 THR C A 63 SER N 1.0 -60.1 9.1 PSI 83 83 A 62 THR C A 63 SER N A 63 SER CA A 63 SER C 1.0 -141.3 -58.1 PHI 84 84 A 63 SER N A 63 SER CA A 63 SER C A 64 ALA N 1.0 -47.3 38.1 PSI 85 85 A 63 SER C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 28.6 96.0 PHI 86 86 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 ALA N 1.0 8.9 65.7 PSI 87 87 A 64 ALA C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -119.8 -62.4 PHI 88 88 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 CYS N 1.0 -35.8 31.2 PSI 89 89 A 65 ALA C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -164.9 -31.7 PHI 90 90 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 PRO N 1.0 41.2 170.6 PSI 91 91 A 68 LEU C A 69 THR N A 69 THR CA A 69 THR C 1.0 -69.7 -49.7 PHI 92 92 A 69 THR N A 69 THR CA A 69 THR C A 70 ASP N 1.0 -61.5 -26.3 PSI 93 93 A 69 THR C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -74.7 -54.3 PHI 94 94 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 VAL N 1.0 -54.9 -20.7 PSI 95 95 A 70 ASP C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -76.0 -56.0 PHI 96 96 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 ILE N 1.0 -52.3 -32.3 PSI 97 97 A 71 VAL C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -71.8 -51.8 PHI 98 98 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 GLU N 1.0 -60.3 -26.3 PSI 99 99 A 72 ILE C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -73.9 -53.9 PHI 100 100 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 ASP N 1.0 -53.8 -28.4 PSI 101 101 A 73 GLU C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -77.3 -54.5 PHI 102 102 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 GLN N 1.0 -51.1 -23.9 PSI 103 103 A 74 ASP C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -74.4 -54.4 PHI 104 104 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 SER N 1.0 -58.6 -23.4 PSI 105 105 A 75 GLN C A 76 SER N A 76 SER CA A 76 SER C 1.0 -78.0 -45.8 PHI 106 106 A 76 SER N A 76 SER CA A 76 SER C A 77 ARG N 1.0 -65.0 -30.0 PSI 107 107 A 76 SER C A 77 ARG N A 77 ARG CA A 77 ARG C 1.0 -75.1 -55.1 PHI 108 108 A 77 ARG N A 77 ARG CA A 77 ARG C A 78 SER N 1.0 -52.6 -32.6 PSI 109 109 A 77 ARG C A 78 SER N A 78 SER CA A 78 SER C 1.0 -76.3 -53.3 PHI 110 110 A 78 SER N A 78 SER CA A 78 SER C A 79 ALA N 1.0 -53.0 -23.6 PSI 111 111 A 78 SER C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -74.1 -54.1 PHI 112 112 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 LEU N 1.0 -50.2 -12.0 PSI 113 113 A 79 ALA C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -86.2 -47.6 PHI 114 114 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 VAL N 1.0 -67.0 -5.6 PSI 115 115 A 80 LEU C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -89.2 -46.0 PHI 116 116 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 GLY N 1.0 -53.3 -28.5 PSI 117 117 A 81 VAL C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 -88.8 -48.2 PHI 118 118 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 SER N 1.0 -47.8 -5.4 PSI 119 119 A 82 GLY C A 83 SER N A 83 SER CA A 83 SER C 1.0 -107.2 -67.0 PHI 120 120 A 83 SER N A 83 SER CA A 83 SER C A 84 GLY N 1.0 -22.9 18.1 PSI 121 121 A 84 GLY C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -115.9 -39.9 PHI 122 122 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 VAL N 1.0 -62.6 10.8 PSI 123 123 A 86 VAL C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -123.8 -56.0 PHI 124 124 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 ASP N 1.0 -51.9 16.5 PSI 125 125 A 88 ASP C A 89 ILE N A 89 ILE CA A 89 ILE C 1.0 -169.1 -104.3 PHI 126 126 A 89 ILE N A 89 ILE CA A 89 ILE C A 90 ARG N 1.0 135.4 182.0 PSI 127 127 A 89 ILE C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -175.3 -78.3 PHI 128 128 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 ILE N 1.0 107.0 155.4 PSI 129 129 A 90 ARG C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -134.7 -79.3 PHI 130 130 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 ASN N 1.0 91.5 148.1 PSI 131 131 A 91 ILE C A 92 ASN N A 92 ASN CA A 92 ASN C 1.0 -130.7 -88.7 PHI 132 132 A 92 ASN N A 92 ASN CA A 92 ASN C A 93 TRP N 1.0 94.1 143.1 PSI 133 133 A 92 ASN C A 93 TRP N A 93 TRP CA A 93 TRP C 1.0 -127.8 -80.2 PHI 134 134 A 93 TRP N A 93 TRP CA A 93 TRP C A 94 VAL N 1.0 106.9 147.7 PSI 135 135 A 93 TRP C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -170.2 -86.0 PHI 136 136 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 TRP N 1.0 124.6 195.0 PSI 137 137 A 101 PRO C A 102 ASP N A 102 ASP CA A 102 ASP C 1.0 -82.1 -57.5 PHI 138 138 A 102 ASP N A 102 ASP CA A 102 ASP C A 103 LYS N 1.0 -32.7 -4.9 PSI 139 139 A 102 ASP C A 103 LYS N A 103 LYS CA A 103 LYS C 1.0 -127.3 -77.1 PHI 140 140 A 103 LYS N A 103 LYS CA A 103 LYS C A 104 ILE N 1.0 -29.9 36.7 PSI 141 141 A 104 ILE C A 105 THR N A 105 THR CA A 105 THR C 1.0 -124.7 -50.9 PHI 142 142 A 105 THR N A 105 THR CA A 105 THR C A 106 GLU N 1.0 151.6 181.2 PSI 143 143 A 105 THR C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -71.7 -51.7 PHI 144 144 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 ASP N 1.0 -50.5 -21.5 PSI 145 145 A 106 GLU C A 107 ASP N A 107 ASP CA A 107 ASP C 1.0 -77.2 -57.2 PHI 146 146 A 107 ASP N A 107 ASP CA A 107 ASP C A 108 GLY N 1.0 -52.9 -26.1 PSI 147 147 A 107 ASP C A 108 GLY N A 108 GLY CA A 108 GLY C 1.0 -81.0 -51.6 PHI 148 148 A 108 GLY N A 108 GLY CA A 108 GLY C A 109 ARG N 1.0 -54.5 -28.1 PSI 149 149 A 108 GLY C A 109 ARG N A 109 ARG CA A 109 ARG C 1.0 -73.5 -53.5 PHI 150 150 A 109 ARG N A 109 ARG CA A 109 ARG C A 110 GLU N 1.0 -50.9 -28.9 PSI 151 151 A 109 ARG C A 110 GLU N A 110 GLU CA A 110 GLU C 1.0 -82.5 -51.1 PHI 152 152 A 110 GLU N A 110 GLU CA A 110 GLU C A 111 GLN N 1.0 -57.0 -7.6 PSI 153 153 A 112 LEU C A 113 ARG N A 113 ARG CA A 113 ARG C 1.0 -70.5 -50.5 PHI 154 154 A 113 ARG N A 113 ARG CA A 113 ARG C A 114 ALA N 1.0 -50.1 -30.1 PSI 155 155 A 113 ARG C A 114 ALA N A 114 ALA CA A 114 ALA C 1.0 -74.5 -54.5 PHI 156 156 A 114 ALA N A 114 ALA CA A 114 ALA C A 115 LEU N 1.0 -58.0 -7.6 PSI 157 157 A 114 ALA C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -116.6 -63.0 PHI 158 158 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 GLY N 1.0 -34.6 26.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10000 aliased 2 Hz 1H 10000 aliased 3 Hz 13C 4824 aliased stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H . aliased 2 Hz 1H . aliased 3 Hz 13C . aliased stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H . aliased 2 Hz 1H . aliased 3 Hz 13C . aliased stop_ save_