data_nef_c18255_2lpd 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 TargetDB BupsA.13472.b stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 MET middle . . 10 A 10 GLY middle . false 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 GLU middle . . 14 A 14 ALA middle . . 15 A 15 GLN middle . . 16 A 16 THR middle . . 17 A 17 GLN middle . . 18 A 18 GLY middle . false 19 A 19 PRO middle . false 20 A 20 GLY middle . false 21 A 21 SER middle . . 22 A 22 MET middle . . 23 A 23 ASP middle . . 24 A 24 ASP middle . . 25 A 25 GLU middle . . 26 A 26 LEU middle . . 27 A 27 TYR middle . . 28 A 28 PHE middle . . 29 A 29 VAL middle . . 30 A 30 VAL middle . . 31 A 31 ARG middle . . 32 A 32 ASN middle . . 33 A 33 ASN middle . . 34 A 34 GLU middle . . 35 A 35 GLY middle . false 36 A 36 GLN middle . . 37 A 37 TYR middle . . 38 A 38 SER middle . . 39 A 39 VAL middle . . 40 A 40 TRP middle . . 41 A 41 MET middle . . 42 A 42 ASP middle . . 43 A 43 GLY middle . false 44 A 44 ARG middle . . 45 A 45 SER middle . . 46 A 46 LEU middle . . 47 A 47 PRO middle . false 48 A 48 ALA middle . . 49 A 49 GLY middle . false 50 A 50 TRP middle . . 51 A 51 GLU middle . . 52 A 52 THR middle . . 53 A 53 VAL middle . . 54 A 54 GLY middle . false 55 A 55 GLU middle . . 56 A 56 PRO middle . false 57 A 57 ALA middle . . 58 A 58 THR middle . . 59 A 59 LYS middle . . 60 A 60 GLN middle . . 61 A 61 GLN middle . . 62 A 62 CYS middle . . 63 A 63 LEU middle . . 64 A 64 GLN middle . . 65 A 65 ARG middle . . 66 A 66 ILE middle . . 67 A 67 GLU middle . . 68 A 68 GLN middle . . 69 A 69 LEU middle . . 70 A 70 TRP middle . . 71 A 71 THR middle . . 72 A 72 ASP middle . . 73 A 73 MET middle . . 74 A 74 VAL middle . . 75 A 75 PRO middle . false 76 A 76 ALA middle . . 77 A 77 SER middle . . 78 A 78 VAL middle . . 79 A 79 ARG middle . . 80 A 80 GLU middle . . 81 A 81 HIS middle . . 82 A 82 LEU middle . . 83 A 83 ASN middle . . 84 A 84 GLN middle . . 85 A 85 HIS middle . . 86 A 86 SER middle . . 87 A 87 GLY middle . false 88 A 88 PRO middle . false 89 A 89 GLY middle . false 90 A 90 ILE middle . . 91 A 91 ASP middle . . 92 A 92 TYR middle . . 93 A 93 ALA middle . . 94 A 94 VAL middle . . 95 A 95 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 3.96 0.02 A 2 ALA HB% H 1 1.38 0.02 A 2 ALA CA C 13 51.7 0.2 A 2 ALA CB C 13 19.7 0.2 A 8 HIS C C 13 175.2 0.2 A 8 HIS CA C 13 56.6 0.2 A 8 HIS CB C 13 30.8 0.2 A 9 MET H H 1 8.47 0.02 A 9 MET C C 13 176.4 0.2 A 9 MET CA C 13 55.8 0.2 A 9 MET CB C 13 32.8 0.2 A 9 MET CG C 13 32.1 0.2 A 9 MET N N 15 121.8 0.2 A 10 GLY H H 1 8.49 0.02 A 10 GLY HAx H 1 4.00 0.02 A 10 GLY HAy H 1 4.00 0.02 A 10 GLY C C 13 174.1 0.2 A 10 GLY CA C 13 45.3 0.2 A 10 GLY N N 15 109.8 0.2 A 11 THR H H 1 8.10 0.02 A 11 THR HA H 1 3.71 0.02 A 11 THR C C 13 174.6 0.2 A 11 THR CA C 13 62.4 0.2 A 11 THR CB C 13 70.1 0.2 A 11 THR CG2 C 13 21.8 0.2 A 11 THR N N 15 113.6 0.2 A 12 LEU H H 1 8.35 0.02 A 12 LEU HA H 1 4.30 0.02 A 12 LEU HBy H 1 1.60 0.02 A 12 LEU HBx H 1 1.56 0.02 A 12 LEU HDx% H 1 0.81 0.2 A 12 LEU HDy% H 1 0.82 0.2 A 12 LEU C C 13 177.4 0.2 A 12 LEU CA C 13 55.6 0.2 A 12 LEU CB C 13 42.1 0.2 A 12 LEU CDy C 13 24.7 0.2 A 12 LEU CDx C 13 23.3 0.2 A 12 LEU N N 15 123.9 0.2 A 13 GLU H H 1 8.42 0.02 A 13 GLU HA H 1 4.19 0.02 A 13 GLU HGx H 1 2.39 0.02 A 13 GLU HGy H 1 2.39 0.02 A 13 GLU C C 13 176.2 0.2 A 13 GLU CA C 13 56.9 0.2 A 13 GLU CB C 13 30.0 0.2 A 13 GLU CG C 13 36.4 0.2 A 13 GLU N N 15 121.3 0.2 A 14 ALA H H 1 8.26 0.02 A 14 ALA HA H 1 4.26 0.02 A 14 ALA HB% H 1 1.37 0.02 A 14 ALA C C 13 177.7 0.2 A 14 ALA CA C 13 52.7 0.2 A 14 ALA CB C 13 19.1 0.2 A 14 ALA N N 15 124.1 0.2 A 15 GLN H H 1 8.34 0.02 A 15 GLN HA H 1 4.36 0.02 A 15 GLN HBy H 1 2.13 0.02 A 15 GLN HBx H 1 2.00 0.02 A 15 GLN HGx H 1 2.38 0.02 A 15 GLN HGy H 1 2.38 0.02 A 15 GLN C C 13 176.2 0.2 A 15 GLN CA C 13 55.9 0.2 A 15 GLN CB C 13 29.3 0.2 A 15 GLN CG C 13 33.8 0.2 A 15 GLN N N 15 119.1 0.2 A 16 THR H H 1 8.16 0.02 A 16 THR HA H 1 4.32 0.02 A 16 THR HB H 1 4.24 0.02 A 16 THR HG2% H 1 1.18 0.02 A 16 THR C C 13 174.3 0.2 A 16 THR CA C 13 61.9 0.2 A 16 THR CB C 13 69.7 0.2 A 16 THR CG2 C 13 21.7 0.2 A 16 THR N N 15 114.6 0.2 A 17 GLN H H 1 8.41 0.02 A 17 GLN C C 13 175.8 0.2 A 17 GLN CA C 13 55.9 0.2 A 17 GLN CB C 13 29.6 0.2 A 17 GLN CG C 13 33.9 0.2 A 17 GLN N N 15 122.2 0.2 A 18 GLY H H 1 8.34 0.02 A 18 GLY HAx H 1 4.10 0.02 A 18 GLY HAy H 1 4.10 0.02 A 18 GLY CA C 13 44.6 0.2 A 18 GLY N N 15 110.1 0.2 A 19 PRO HA H 1 4.43 0.02 A 19 PRO HBy H 1 2.26 0.02 A 19 PRO HBx H 1 2.00 0.02 A 19 PRO HDx H 1 3.62 0.02 A 19 PRO HDy H 1 3.62 0.02 A 19 PRO HG2 H 1 2.01 0.02 A 19 PRO HG3 H 1 2.01 0.02 A 19 PRO C C 13 177.5 0.2 A 19 PRO CA C 13 63.5 0.2 A 19 PRO CB C 13 32.1 0.2 A 19 PRO CD C 13 49.7 0.2 A 19 PRO CG C 13 27.1 0.2 A 20 GLY H H 1 8.62 0.02 A 20 GLY HAx H 1 3.98 0.02 A 20 GLY HAy H 1 3.98 0.02 A 20 GLY C C 13 174.0 0.2 A 20 GLY CA C 13 45.2 0.2 A 20 GLY N N 15 109.6 0.2 A 21 SER H H 1 8.24 0.02 A 21 SER HA H 1 4.46 0.02 A 21 SER HBx H 1 3.89 0.02 A 21 SER HBy H 1 3.89 0.02 A 21 SER C C 13 174.7 0.2 A 21 SER CA C 13 58.4 0.2 A 21 SER CB C 13 64.0 0.2 A 21 SER N N 15 115.3 0.2 A 22 MET H H 1 8.57 0.02 A 22 MET HA H 1 4.53 0.02 A 22 MET HBy H 1 2.14 0.02 A 22 MET HBx H 1 2.01 0.02 A 22 MET HGy H 1 2.60 0.02 A 22 MET HGx H 1 2.52 0.02 A 22 MET C C 13 176.0 0.2 A 22 MET CA C 13 55.7 0.2 A 22 MET CB C 13 32.6 0.2 A 22 MET CG C 13 32.1 0.2 A 22 MET N N 15 122.0 0.2 A 23 ASP H H 1 8.33 0.02 A 23 ASP HA H 1 4.63 0.02 A 23 ASP HBy H 1 2.77 0.02 A 23 ASP HBx H 1 2.59 0.02 A 23 ASP C C 13 175.7 0.2 A 23 ASP CA C 13 54.8 0.2 A 23 ASP CB C 13 41.0 0.2 A 23 ASP N N 15 120.6 0.2 A 24 ASP H H 1 8.25 0.02 A 24 ASP HA H 1 4.66 0.02 A 24 ASP HBy H 1 2.68 0.02 A 24 ASP HBx H 1 2.62 0.02 A 24 ASP C C 13 175.8 0.2 A 24 ASP CA C 13 54.1 0.2 A 24 ASP CB C 13 41.3 0.2 A 24 ASP N N 15 119.8 0.2 A 25 GLU H H 1 8.19 0.02 A 25 GLU HA H 1 4.22 0.02 A 25 GLU HBx H 1 1.99 0.02 A 25 GLU HBy H 1 1.99 0.02 A 25 GLU HGy H 1 2.36 0.02 A 25 GLU HGx H 1 2.27 0.02 A 25 GLU C C 13 175.2 0.2 A 25 GLU CA C 13 56.4 0.2 A 25 GLU CB C 13 30.5 0.2 A 25 GLU CG C 13 36.4 0.2 A 25 GLU N N 15 120.6 0.2 A 26 LEU H H 1 8.27 0.02 A 26 LEU HA H 1 4.54 0.02 A 26 LEU HBy H 1 1.63 0.02 A 26 LEU HBx H 1 1.12 0.02 A 26 LEU HDx% H 1 0.63 0.02 A 26 LEU HDy% H 1 0.63 0.02 A 26 LEU HG H 1 0.74 0.02 A 26 LEU C C 13 175.2 0.2 A 26 LEU CA C 13 54.0 0.2 A 26 LEU CB C 13 43.7 0.2 A 26 LEU CDx C 13 22.4 0.2 A 26 LEU CDy C 13 22.4 0.2 A 26 LEU CG C 13 25.4 0.2 A 26 LEU N N 15 121.5 0.2 A 27 TYR H H 1 9.25 0.02 A 27 TYR HA H 1 4.97 0.02 A 27 TYR HBy H 1 2.84 0.02 A 27 TYR HBx H 1 2.72 0.02 A 27 TYR HDx H 1 6.97 0.02 A 27 TYR HDy H 1 6.97 0.02 A 27 TYR HEx H 1 6.77 0.02 A 27 TYR HEy H 1 6.77 0.02 A 27 TYR C C 13 173.1 0.2 A 27 TYR CA C 13 56.7 0.2 A 27 TYR CB C 13 43.9 0.2 A 27 TYR CDx C 13 133.2 0.2 A 27 TYR CDy C 13 133.2 0.2 A 27 TYR CEx C 13 118.2 0.2 A 27 TYR CEy C 13 118.2 0.2 A 27 TYR N N 15 119.4 0.2 A 28 PHE H H 1 9.51 0.02 A 28 PHE HA H 1 5.07 0.02 A 28 PHE HBy H 1 3.22 0.02 A 28 PHE HBx H 1 2.62 0.02 A 28 PHE HDx H 1 7.24 0.02 A 28 PHE HDy H 1 7.24 0.02 A 28 PHE HEx H 1 7.55 0.02 A 28 PHE HEy H 1 7.55 0.02 A 28 PHE HZ H 1 7.38 0.02 A 28 PHE C C 13 178.1 0.2 A 28 PHE CA C 13 57.1 0.2 A 28 PHE CB C 13 42.5 0.2 A 28 PHE CDx C 13 131.6 0.2 A 28 PHE CDy C 13 131.6 0.2 A 28 PHE CEx C 13 131.6 0.2 A 28 PHE CEy C 13 131.6 0.2 A 28 PHE CZ C 13 129.7 0.2 A 28 PHE N N 15 114.7 0.2 A 29 VAL H H 1 9.11 0.02 A 29 VAL HA H 1 4.48 0.02 A 29 VAL HB H 1 2.37 0.02 A 29 VAL HGx% H 1 1.17 0.02 A 29 VAL HGy% H 1 1.05 0.02 A 29 VAL C C 13 175.2 0.2 A 29 VAL CA C 13 64.0 0.2 A 29 VAL CB C 13 31.9 0.2 A 29 VAL CGy C 13 23.3 0.2 A 29 VAL CGx C 13 22.2 0.2 A 29 VAL N N 15 121.1 0.2 A 30 VAL H H 1 8.89 0.02 A 30 VAL HA H 1 5.55 0.02 A 30 VAL HB H 1 2.04 0.02 A 30 VAL HGx% H 1 0.78 0.02 A 30 VAL HGy% H 1 0.59 0.02 A 30 VAL C C 13 173.8 0.2 A 30 VAL CA C 13 58.0 0.2 A 30 VAL CB C 13 36.1 0.2 A 30 VAL CGy C 13 23.5 0.2 A 30 VAL CGx C 13 20.2 0.2 A 30 VAL N N 15 119.8 0.2 A 31 ARG H H 1 8.98 0.02 A 31 ARG HA H 1 5.19 0.02 A 31 ARG HBy H 1 1.24 0.02 A 31 ARG HBx H 1 1.15 0.02 A 31 ARG HDx H 1 2.85 0.02 A 31 ARG HDy H 1 2.85 0.02 A 31 ARG HGy H 1 1.37 0.02 A 31 ARG HGx H 1 0.69 0.02 A 31 ARG CA C 13 53.5 0.2 A 31 ARG CB C 13 34.1 0.2 A 31 ARG CD C 13 43.6 0.2 A 31 ARG CG C 13 26.3 0.2 A 31 ARG N N 15 119.7 0.2 A 32 ASN HA H 1 4.24 0.02 A 32 ASN HBy H 1 2.12 0.02 A 32 ASN HBx H 1 0.20 0.02 A 32 ASN HD2y H 1 7.07 0.02 A 32 ASN HD2x H 1 6.40 0.02 A 32 ASN C C 13 176.6 0.2 A 32 ASN CA C 13 49.7 0.2 A 32 ASN CB C 13 36.7 0.2 A 32 ASN ND2 N 15 111.3 0.2 A 33 ASN H H 1 7.76 0.02 A 33 ASN HA H 1 4.29 0.02 A 33 ASN HBy H 1 2.77 0.02 A 33 ASN HBx H 1 2.68 0.02 A 33 ASN HD2y H 1 7.64 0.02 A 33 ASN HD2x H 1 7.00 0.02 A 33 ASN C C 13 175.6 0.2 A 33 ASN CA C 13 55.5 0.2 A 33 ASN CB C 13 37.8 0.2 A 33 ASN N N 15 114.8 0.02 A 33 ASN ND2 N 15 112.8 0.2 A 34 GLU H H 1 7.34 0.02 A 34 GLU HA H 1 4.31 0.02 A 34 GLU HBy H 1 2.16 0.02 A 34 GLU HBx H 1 1.73 0.02 A 34 GLU HGy H 1 2.14 0.02 A 34 GLU HGx H 1 2.07 0.02 A 34 GLU C C 13 176.2 0.2 A 34 GLU CA C 13 55.9 0.2 A 34 GLU CB C 13 29.5 0.2 A 34 GLU CG C 13 36.7 0.2 A 34 GLU N N 15 116.9 0.2 A 35 GLY H H 1 7.72 0.02 A 35 GLY HAy H 1 4.06 0.02 A 35 GLY HAx H 1 3.26 0.02 A 35 GLY C C 13 173.4 0.2 A 35 GLY CA C 13 45.4 0.2 A 35 GLY N N 15 107.0 0.2 A 36 GLN H H 1 7.57 0.02 A 36 GLN HA H 1 4.28 0.02 A 36 GLN HBy H 1 2.16 0.02 A 36 GLN HBx H 1 1.73 0.02 A 36 GLN CA C 13 54.5 0.2 A 36 GLN CB C 13 29.5 0.2 A 36 GLN N N 15 117.7 0.2 A 37 TYR HBy H 1 2.90 0.02 A 37 TYR HBx H 1 2.73 0.02 A 37 TYR HDx H 1 6.96 0.02 A 37 TYR HDy H 1 6.96 0.02 A 37 TYR HEx H 1 6.60 0.02 A 37 TYR HEy H 1 6.60 0.02 A 37 TYR C C 13 176.3 0.2 A 37 TYR CA C 13 57.5 0.2 A 37 TYR CB C 13 42.8 0.2 A 37 TYR CDx C 13 132.9 0.2 A 37 TYR CDy C 13 132.9 0.2 A 37 TYR CEx C 13 117.6 0.2 A 37 TYR CEy C 13 117.6 0.2 A 38 SER H H 1 9.23 0.02 A 38 SER HA H 1 5.77 0.02 A 38 SER HBy H 1 3.90 0.02 A 38 SER HBx H 1 3.41 0.02 A 38 SER C C 13 173.1 0.2 A 38 SER CA C 13 57.3 0.2 A 38 SER CB C 13 64.4 0.2 A 38 SER N N 15 114.7 0.2 A 39 VAL H H 1 8.43 0.02 A 39 VAL HA H 1 5.70 0.02 A 39 VAL HB H 1 2.08 0.02 A 39 VAL HGx% H 1 0.91 0.02 A 39 VAL HGy% H 1 0.82 0.02 A 39 VAL C C 13 175.2 0.2 A 39 VAL CA C 13 59.9 0.2 A 39 VAL CB C 13 34.8 0.2 A 39 VAL CGy C 13 23.0 0.2 A 39 VAL CGx C 13 20.4 0.2 A 39 VAL N N 15 114.0 0.2 A 40 TRP H H 1 9.59 0.02 A 40 TRP HBy H 1 3.02 0.02 A 40 TRP HBx H 1 2.98 0.02 A 40 TRP HD1 H 1 7.15 0.02 A 40 TRP HE1 H 1 9.23 0.02 A 40 TRP HE3 H 1 7.66 0.02 A 40 TRP HH2 H 1 7.06 0.02 A 40 TRP HZ2 H 1 7.37 0.02 A 40 TRP C C 13 174.0 0.2 A 40 TRP CA C 13 56.5 0.2 A 40 TRP CB C 13 35.7 0.2 A 40 TRP CD1 C 13 127.5 0.2 A 40 TRP CE3 C 13 120.2 0.2 A 40 TRP CH2 C 13 123.9 0.2 A 40 TRP CZ2 C 13 114.4 0.2 A 40 TRP N N 15 126.6 0.2 A 40 TRP NE1 N 15 127.9 0.2 A 41 MET H H 1 7.86 0.02 A 41 MET HA H 1 3.47 0.02 A 41 MET HBy H 1 1.44 0.02 A 41 MET HBx H 1 1.36 0.02 A 41 MET HE% H 1 1.87 0.02 A 41 MET HGy H 1 2.20 0.02 A 41 MET HGx H 1 1.79 0.02 A 41 MET C C 13 175.0 0.2 A 41 MET CA C 13 56.9 0.2 A 41 MET CB C 13 33.8 0.2 A 41 MET CE C 13 17.0 0.2 A 41 MET CG C 13 31.5 0.2 A 41 MET N N 15 127.7 0.2 A 42 ASP H H 1 8.29 0.02 A 42 ASP HA H 1 4.52 0.02 A 42 ASP HBy H 1 2.42 0.02 A 42 ASP HBx H 1 2.18 0.02 A 42 ASP C C 13 176.8 0.2 A 42 ASP CA C 13 55.5 0.2 A 42 ASP CB C 13 41.5 0.2 A 42 ASP N N 15 123.4 0.2 A 43 GLY H H 1 8.35 0.02 A 43 GLY HAy H 1 4.19 0.02 A 43 GLY HAx H 1 3.67 0.02 A 43 GLY C C 13 174.0 0.2 A 43 GLY CA C 13 45.3 0.2 A 43 GLY N N 15 113.3 0.2 A 44 ARG H H 1 7.56 0.02 A 44 ARG HBy H 1 1.88 0.02 A 44 ARG HBx H 1 1.68 0.02 A 44 ARG HDy H 1 2.87 0.02 A 44 ARG HDx H 1 2.75 0.02 A 44 ARG HGx H 1 1.56 0.02 A 44 ARG HGy H 1 1.56 0.02 A 44 ARG C C 13 176.6 0.2 A 44 ARG CA C 13 54.8 0.2 A 44 ARG CB C 13 31.5 0.2 A 44 ARG CD C 13 43.2 0.2 A 44 ARG CG C 13 27.0 0.2 A 44 ARG N N 15 119.6 0.2 A 45 SER H H 1 8.83 0.02 A 45 SER HA H 1 4.31 0.02 A 45 SER HBx H 1 3.81 0.02 A 45 SER HBy H 1 3.81 0.02 A 45 SER C C 13 174.3 0.2 A 45 SER CA C 13 59.4 0.2 A 45 SER CB C 13 63.2 0.2 A 45 SER N N 15 121.0 0.2 A 46 LEU H H 1 8.61 0.02 A 46 LEU HA H 1 3.85 0.02 A 46 LEU HBy H 1 1.28 0.02 A 46 LEU HBx H 1 1.24 0.02 A 46 LEU HDx% H 1 0.42 0.02 A 46 LEU HDy% H 1 0.28 0.02 A 46 LEU CA C 13 53.0 0.2 A 46 LEU CB C 13 42.2 0.2 A 46 LEU CDy C 13 24.7 0.2 A 46 LEU CDx C 13 24.5 0.2 A 46 LEU N N 15 127.9 0.2 A 47 PRO HA H 1 4.18 0.02 A 47 PRO HBy H 1 1.93 0.02 A 47 PRO HBx H 1 1.03 0.02 A 47 PRO HDy H 1 2.58 0.02 A 47 PRO HDx H 1 1.99 0.02 A 47 PRO HGy H 1 1.08 0.02 A 47 PRO HGx H 1 0.54 0.02 A 47 PRO C C 13 175.7 0.2 A 47 PRO CA C 13 61.8 0.2 A 47 PRO CB C 13 31.1 0.2 A 47 PRO CD C 13 49.9 0.2 A 47 PRO CG C 13 26.8 0.2 A 48 ALA H H 1 8.26 0.02 A 48 ALA HA H 1 4.10 0.02 A 48 ALA HB% H 1 1.35 0.02 A 48 ALA C C 13 178.8 0.2 A 48 ALA CA C 13 53.5 0.2 A 48 ALA CB C 13 18.2 0.2 A 48 ALA N N 15 123.6 0.2 A 49 GLY H H 1 8.72 0.02 A 49 GLY HAy H 1 4.26 0.02 A 49 GLY HAx H 1 3.57 0.02 A 49 GLY C C 13 173.8 0.2 A 49 GLY CA C 13 45.1 0.2 A 49 GLY N N 15 110.2 0.2 A 50 TRP H H 1 7.64 0.02 A 50 TRP HA H 1 4.67 0.02 A 50 TRP HBy H 1 2.77 0.02 A 50 TRP HBx H 1 2.65 0.02 A 50 TRP HD1 H 1 6.97 0.02 A 50 TRP HE1 H 1 10.13 0.02 A 50 TRP HE3 H 1 7.62 0.02 A 50 TRP HH2 H 1 6.99 0.02 A 50 TRP HZ2 H 1 7.44 0.02 A 50 TRP HZ3 H 1 7.16 0.02 A 50 TRP C C 13 174.9 0.2 A 50 TRP CA C 13 56.2 0.2 A 50 TRP CB C 13 30.4 0.2 A 50 TRP CD1 C 13 126.5 0.2 A 50 TRP CE3 C 13 121.3 0.2 A 50 TRP CH2 C 13 124.1 0.2 A 50 TRP CZ2 C 13 114.3 0.2 A 50 TRP CZ3 C 13 121.3 0.2 A 50 TRP N N 15 119.9 0.2 A 50 TRP NE1 N 15 129.1 0.2 A 51 GLU H H 1 8.65 0.02 A 51 GLU HBy H 1 1.96 0.02 A 51 GLU HBx H 1 1.86 0.02 A 51 GLU HGy H 1 2.20 0.02 A 51 GLU HGx H 1 2.07 0.02 A 51 GLU C C 13 175.4 0.2 A 51 GLU CA C 13 54.3 0.2 A 51 GLU CB C 13 33.6 0.2 A 51 GLU CG C 13 35.6 0.2 A 51 GLU N N 15 118.2 0.2 A 52 THR H H 1 8.45 0.02 A 52 THR HB H 1 3.97 0.02 A 52 THR HG1 H 1 4.65 0.02 A 52 THR HG2% H 1 0.48 0.02 A 52 THR C C 13 174.8 0.2 A 52 THR CA C 13 62.0 0.2 A 52 THR CB C 13 70.0 0.2 A 52 THR CG2 C 13 21.7 0.2 A 52 THR N N 15 112.2 0.2 A 53 VAL H H 1 8.80 0.02 A 53 VAL HA H 1 4.27 0.02 A 53 VAL HB H 1 1.96 0.02 A 53 VAL HGx% H 1 0.89 0.02 A 53 VAL HGy% H 1 0.89 0.02 A 53 VAL C C 13 176.2 0.2 A 53 VAL CA C 13 61.3 0.2 A 53 VAL CB C 13 33.0 0.2 A 53 VAL CGx C 13 20.6 0.2 A 53 VAL CGy C 13 20.6 0.2 A 53 VAL N N 15 122.3 0.2 A 54 GLY H H 1 8.83 0.02 A 54 GLY HAy H 1 4.22 0.02 A 54 GLY HAx H 1 3.95 0.02 A 54 GLY C C 13 173.1 0.2 A 54 GLY CA C 13 44.9 0.2 A 54 GLY N N 15 115.4 0.2 A 55 GLU H H 1 8.39 0.02 A 55 GLU HA H 1 4.72 0.02 A 55 GLU HBy H 1 2.19 0.02 A 55 GLU HBx H 1 1.90 0.02 A 55 GLU CB C 13 29.6 0.2 A 55 GLU N N 15 119.0 0.2 A 56 PRO HA H 1 4.42 0.02 A 56 PRO HBy H 1 1.37 0.02 A 56 PRO HBx H 1 0.75 0.02 A 56 PRO HDy H 1 3.74 0.02 A 56 PRO HDx H 1 3.67 0.02 A 56 PRO HGy H 1 1.77 0.02 A 56 PRO HGx H 1 1.56 0.02 A 56 PRO C C 13 176.2 0.2 A 56 PRO CA C 13 62.9 0.2 A 56 PRO CB C 13 31.5 0.2 A 56 PRO CD C 13 49.7 0.2 A 56 PRO CG C 13 26.5 0.2 A 57 ALA H H 1 9.58 0.02 A 57 ALA HA H 1 4.63 0.02 A 57 ALA HB% H 1 1.57 0.02 A 57 ALA CA C 13 51.3 0.2 A 57 ALA CB C 13 22.2 0.2 A 57 ALA N N 15 124.3 0.2 A 58 THR H H 1 8.07 0.02 A 58 THR HG2% H 1 1.36 0.02 A 58 THR C C 13 175.7 0.2 A 58 THR CA C 13 62.2 0.2 A 58 THR CB C 13 70.6 0.2 A 58 THR CG2 C 13 21.9 0.2 A 58 THR N N 15 108.7 0.2 A 59 LYS H H 1 9.42 0.02 A 59 LYS HA H 1 3.17 0.02 A 59 LYS HBy H 1 1.46 0.02 A 59 LYS HBx H 1 1.06 0.02 A 59 LYS HDy H 1 1.32 0.02 A 59 LYS HDx H 1 1.24 0.02 A 59 LYS HGy H 1 1.01 0.02 A 59 LYS HGx H 1 0.39 0.02 A 59 LYS C C 13 178.1 0.2 A 59 LYS CA C 13 61.3 0.2 A 59 LYS CB C 13 31.7 0.2 A 59 LYS CD C 13 29.2 0.2 A 59 LYS CG C 13 25.0 0.2 A 59 LYS N N 15 123.4 0.2 A 60 GLN H H 1 8.61 0.02 A 60 GLN HA H 1 3.87 0.02 A 60 GLN HBy H 1 2.05 0.02 A 60 GLN HBx H 1 1.94 0.02 A 60 GLN HE2y H 1 7.53 0.02 A 60 GLN HE2x H 1 6.94 0.02 A 60 GLN HGx H 1 2.38 0.02 A 60 GLN HGy H 1 2.38 0.02 A 60 GLN C C 13 178.6 0.2 A 60 GLN CA C 13 59.2 0.2 A 60 GLN CB C 13 28.1 0.2 A 60 GLN CG C 13 33.7 0.2 A 60 GLN N N 15 114.8 0.2 A 60 GLN NE2 N 15 111.6 0.2 A 61 GLN H H 1 7.69 0.02 A 61 GLN HA H 1 4.03 0.02 A 61 GLN HBy H 1 2.33 0.02 A 61 GLN HBx H 1 1.94 0.02 A 61 GLN HE2y H 1 7.52 0.02 A 61 GLN HE2x H 1 6.91 0.02 A 61 GLN HGx H 1 2.40 0.02 A 61 GLN HGy H 1 2.40 0.02 A 61 GLN C C 13 179.7 0.2 A 61 GLN CA C 13 58.9 0.2 A 61 GLN CB C 13 28.7 0.2 A 61 GLN CG C 13 34.9 0.2 A 61 GLN NE2 N 15 112.1 0.2 A 62 CYS H H 1 8.46 0.02 A 62 CYS HA H 1 3.89 0.02 A 62 CYS HBy H 1 3.12 0.02 A 62 CYS HBx H 1 2.47 0.02 A 62 CYS C C 13 176.4 0.2 A 62 CYS CA C 13 64.8 0.2 A 62 CYS CB C 13 27.2 0.2 A 62 CYS N N 15 118.8 0.2 A 63 LEU H H 1 8.35 0.02 A 63 LEU HA H 1 3.89 0.02 A 63 LEU HBy H 1 1.83 0.02 A 63 LEU HBx H 1 1.42 0.02 A 63 LEU HDx% H 1 0.79 0.02 A 63 LEU HDy% H 1 0.79 0.02 A 63 LEU HG H 1 0.77 0.02 A 63 LEU CA C 13 58.1 0.2 A 63 LEU CB C 13 40.9 0.2 A 63 LEU CDx C 13 22.8 0.2 A 63 LEU CDy C 13 22.8 0.2 A 63 LEU CG C 13 25.6 0.2 A 63 LEU N N 15 119.2 0.2 A 64 GLN H H 1 7.91 0.02 A 64 GLN HA H 1 4.03 0.02 A 64 GLN HBy H 1 2.15 0.02 A 64 GLN HBx H 1 2.10 0.02 A 64 GLN HE2y H 1 7.63 0.02 A 64 GLN HE2x H 1 6.82 0.02 A 64 GLN HGy H 1 2.51 0.02 A 64 GLN HGx H 1 2.35 0.02 A 64 GLN C C 13 178.4 0.2 A 64 GLN CA C 13 58.6 0.2 A 64 GLN CB C 13 28.3 0.2 A 64 GLN CG C 13 34.2 0.2 A 64 GLN N N 15 119.0 0.2 A 64 GLN NE2 N 15 112.3 0.2 A 65 ARG H H 1 7.94 0.02 A 65 ARG HA H 1 4.00 0.02 A 65 ARG HBy H 1 2.02 0.02 A 65 ARG HBx H 1 1.91 0.02 A 65 ARG HDy H 1 3.22 0.02 A 65 ARG HDx H 1 3.16 0.02 A 65 ARG HGy H 1 1.82 0.02 A 65 ARG HGx H 1 1.71 0.02 A 65 ARG CA C 13 59.3 0.2 A 65 ARG CB C 13 29.9 0.2 A 65 ARG CD C 13 43.9 0.2 A 65 ARG CG C 13 27.1 0.2 A 65 ARG N N 15 120.0 0.2 A 66 ILE HA H 1 3.37 0.02 A 66 ILE HB H 1 1.80 0.02 A 66 ILE HD1% H 1 0.84 0.02 A 66 ILE HG1y H 1 1.81 0.02 A 66 ILE HG1x H 1 0.78 0.02 A 66 ILE HG2% H 1 0.70 0.02 A 66 ILE C C 13 176.7 0.2 A 66 ILE CA C 13 65.5 0.2 A 66 ILE CB C 13 37.9 0.2 A 66 ILE CD1 C 13 14.2 0.2 A 66 ILE CG1 C 13 30.3 0.2 A 66 ILE CG2 C 13 17.6 0.2 A 67 GLU H H 1 7.60 0.02 A 67 GLU HA H 1 3.95 0.02 A 67 GLU HBx H 1 2.12 0.02 A 67 GLU HBy H 1 2.12 0.02 A 67 GLU HGy H 1 2.41 0.02 A 67 GLU HGx H 1 2.24 0.02 A 67 GLU C C 13 178.6 0.2 A 67 GLU CA C 13 59.3 0.2 A 67 GLU CB C 13 29.3 0.2 A 67 GLU CG C 13 36.3 0.2 A 67 GLU N N 15 118.4 0.2 A 68 GLN H H 1 7.62 0.02 A 68 GLN HA H 1 4.12 0.02 A 68 GLN HBx H 1 2.15 0.02 A 68 GLN HBy H 1 2.15 0.02 A 68 GLN HE2y H 1 7.48 0.02 A 68 GLN HE2x H 1 6.80 0.02 A 68 GLN HGy H 1 2.49 0.02 A 68 GLN HGx H 1 2.37 0.02 A 68 GLN C C 13 177.4 0.2 A 68 GLN CA C 13 57.6 0.2 A 68 GLN CB C 13 28.6 0.2 A 68 GLN CG C 13 33.8 0.2 A 68 GLN N N 15 116.4 0.2 A 68 GLN NE2 N 15 111.2 0.2 A 69 LEU H H 1 7.90 0.02 A 69 LEU HA H 1 4.09 0.02 A 69 LEU HBy H 1 1.38 0.02 A 69 LEU HBx H 1 1.04 0.02 A 69 LEU HDx% H 1 0.67 0.02 A 69 LEU HDy% H 1 0.67 0.02 A 69 LEU HG H 1 0.35 0.02 A 69 LEU C C 13 176.6 0.2 A 69 LEU CA C 13 56.8 0.2 A 69 LEU CB C 13 41.9 0.2 A 69 LEU CDx C 13 22.6 0.2 A 69 LEU CDy C 13 22.6 0.2 A 69 LEU CG C 13 24.9 0.2 A 69 LEU N N 15 120.0 0.2 A 70 TRP H H 1 8.12 0.02 A 70 TRP HBy H 1 3.32 0.02 A 70 TRP HBx H 1 3.17 0.02 A 70 TRP HD1 H 1 7.29 0.02 A 70 TRP HE1 H 1 10.12 0.02 A 70 TRP HE3 H 1 7.60 0.02 A 70 TRP HH2 H 1 7.22 0.2 A 70 TRP HZ2 H 1 7.52 0.02 A 70 TRP HZ3 H 1 6.77 0.02 A 70 TRP C C 13 177.1 0.2 A 70 TRP CA C 13 58.0 0.2 A 70 TRP CB C 13 29.3 0.2 A 70 TRP CD1 C 13 126.0 0.2 A 70 TRP CH2 C 13 124.3 0.2 A 70 TRP CZ2 C 13 114.5 0.2 A 70 TRP CZ3 C 13 122.5 0.2 A 70 TRP N N 15 119.2 0.2 A 70 TRP NE1 N 15 128.3 0.2 A 71 THR H H 1 7.96 0.02 A 71 THR HA H 1 4.16 0.02 A 71 THR HB H 1 4.28 0.02 A 71 THR HG2% H 1 1.22 0.02 A 71 THR C C 13 174.7 0.2 A 71 THR CA C 13 63.7 0.2 A 71 THR CB C 13 69.5 0.2 A 71 THR CG2 C 13 21.5 0.2 A 71 THR N N 15 114.5 0.2 A 72 ASP H H 1 8.14 0.02 A 72 ASP HA H 1 4.56 0.02 A 72 ASP HBy H 1 2.72 0.02 A 72 ASP HBx H 1 2.64 0.02 A 72 ASP CA C 13 55.0 0.2 A 72 ASP CB C 13 40.8 0.2 A 72 ASP N N 15 120.7 0.2 A 74 VAL H H 1 7.95 0.02 A 74 VAL HA H 1 4.34 0.02 A 74 VAL HB H 1 2.06 0.02 A 74 VAL HGx% H 1 0.92 0.02 A 74 VAL HGy% H 1 0.92 0.02 A 74 VAL CA C 13 60.1 0.2 A 74 VAL CB C 13 32.5 0.2 A 74 VAL CGx C 13 21.1 0.2 A 74 VAL CGy C 13 21.1 0.2 A 74 VAL N N 15 121.7 0.2 A 75 PRO HA H 1 4.38 0.02 A 75 PRO HBy H 1 2.33 0.02 A 75 PRO HBx H 1 1.89 0.02 A 75 PRO HDy H 1 3.87 0.02 A 75 PRO HDx H 1 3.56 0.02 A 75 PRO HGy H 1 2.00 0.02 A 75 PRO HGx H 1 1.94 0.02 A 75 PRO CA C 13 63.3 0.2 A 75 PRO CB C 13 32.2 0.2 A 75 PRO CD C 13 50.9 0.2 A 75 PRO CG C 13 27.5 0.2 A 76 ALA H H 1 8.60 0.02 A 76 ALA HA H 1 4.14 0.02 A 76 ALA HB% H 1 1.41 0.02 A 76 ALA C C 13 178.4 0.2 A 76 ALA CA C 13 53.8 0.2 A 76 ALA CB C 13 18.7 0.2 A 76 ALA N N 15 124.2 0.2 A 77 SER H H 1 8.31 0.02 A 77 SER HA H 1 4.34 0.02 A 77 SER HBx H 1 3.89 0.02 A 77 SER HBy H 1 3.89 0.02 A 77 SER C C 13 175.2 0.2 A 77 SER CA C 13 59.2 0.2 A 77 SER CB C 13 63.2 0.2 A 77 SER N N 15 112.9 0.2 A 78 VAL H H 1 7.81 0.02 A 78 VAL HA H 1 4.02 0.02 A 78 VAL HB H 1 2.09 0.02 A 78 VAL HGx% H 1 0.89 0.02 A 78 VAL HGy% H 1 0.89 0.02 A 78 VAL C C 13 176.6 0.2 A 78 VAL CA C 13 63.4 0.2 A 78 VAL CB C 13 32.3 0.2 A 78 VAL CGx C 13 21.0 0.2 A 78 VAL CGy C 13 21.0 0.2 A 78 VAL N N 15 121.7 0.2 A 79 ARG H H 1 8.10 0.02 A 79 ARG HA H 1 4.16 0.02 A 79 ARG HBy H 1 1.81 0.02 A 79 ARG HBx H 1 1.76 0.02 A 79 ARG HDx H 1 3.15 0.02 A 79 ARG HDy H 1 3.15 0.02 A 79 ARG HGy H 1 1.60 0.02 A 79 ARG HGx H 1 1.53 0.02 A 79 ARG CA C 13 57.3 0.2 A 79 ARG CB C 13 30.5 0.2 A 79 ARG CD C 13 43.3 0.2 A 79 ARG CG C 13 27.3 0.2 A 79 ARG N N 15 121.9 0.2 A 80 GLU H H 1 8.26 0.02 A 80 GLU HBx H 1 1.94 0.02 A 80 GLU HBy H 1 1.94 0.02 A 80 GLU CB C 13 30.0 0.2 A 80 GLU N N 15 119.6 0.2 A 81 HIS HA H 1 4.55 0.02 A 81 HIS HBy H 1 3.18 0.02 A 81 HIS HBx H 1 3.10 0.02 A 81 HIS C C 13 175.6 0.2 A 81 HIS CA C 13 56.2 0.2 A 81 HIS CB C 13 30.4 0.2 A 82 LEU H H 1 8.12 0.02 A 82 LEU HA H 1 4.26 0.02 A 82 LEU HBy H 1 1.66 0.02 A 82 LEU HBx H 1 1.53 0.02 A 82 LEU HDx% H 1 0.85 0.02 A 82 LEU HDy% H 1 0.85 0.02 A 82 LEU C C 13 177.2 0.2 A 82 LEU CA C 13 55.6 0.2 A 82 LEU CB C 13 42.1 0.2 A 82 LEU CDx C 13 25.1 0.2 A 82 LEU CDy C 13 25.1 0.2 A 82 LEU CG C 13 27.1 0.2 A 82 LEU N N 15 121.5 0.2 A 83 ASN H H 1 8.40 0.02 A 83 ASN HA H 1 4.64 0.02 A 83 ASN HBy H 1 2.84 0.02 A 83 ASN HBx H 1 2.76 0.02 A 83 ASN HD2y H 1 7.64 0.02 A 83 ASN HD2x H 1 6.94 0.02 A 83 ASN CA C 13 53.5 0.2 A 83 ASN CB C 13 38.6 0.2 A 83 ASN N N 15 118.3 0.2 A 83 ASN ND2 N 15 112.6 0.2 A 85 HIS C C 13 174.9 0.2 A 85 HIS CA C 13 56.3 0.2 A 85 HIS CB C 13 30.6 0.2 A 86 SER H H 1 8.22 0.02 A 86 SER C C 13 174.1 0.2 A 86 SER CA C 13 58.4 0.2 A 86 SER CB C 13 64.3 0.2 A 86 SER N N 15 116.7 0.2 A 87 GLY H H 1 8.31 0.02 A 87 GLY HAy H 1 4.14 0.02 A 87 GLY HAx H 1 4.06 0.02 A 87 GLY CA C 13 44.5 0.2 A 87 GLY N N 15 110.4 0.2 A 88 PRO HA H 1 4.37 0.02 A 88 PRO HBy H 1 2.13 0.02 A 88 PRO HBx H 1 1.88 0.02 A 88 PRO HDx H 1 3.53 0.02 A 88 PRO HDy H 1 3.53 0.02 A 88 PRO C C 13 177.4 0.2 A 88 PRO CA C 13 63.2 0.2 A 88 PRO CB C 13 32.0 0.2 A 88 PRO CD C 13 49.6 0.2 A 88 PRO CG C 13 27.2 0.2 A 89 GLY H H 1 8.50 0.02 A 89 GLY HAx H 1 3.93 0.02 A 89 GLY HAy H 1 3.93 0.02 A 89 GLY C C 13 173.8 0.2 A 89 GLY CA C 13 45.2 0.2 A 89 GLY N N 15 109.3 0.2 A 90 ILE H H 1 7.91 0.02 A 90 ILE HA H 1 4.08 0.02 A 90 ILE HB H 1 1.70 0.02 A 90 ILE HD1% H 1 0.73 0.02 A 90 ILE HG1y H 1 1.30 0.02 A 90 ILE HG1x H 1 1.03 0.02 A 90 ILE HG2% H 1 0.67 0.02 A 90 ILE C C 13 175.4 0.2 A 90 ILE CA C 13 61.0 0.2 A 90 ILE CB C 13 38.9 0.2 A 90 ILE CD1 C 13 12.9 0.2 A 90 ILE CG1 C 13 27.1 0.2 A 90 ILE CG2 C 13 17.3 0.2 A 90 ILE N N 15 119.6 0.2 A 91 ASP H H 1 8.35 0.02 A 91 ASP HA H 1 4.57 0.02 A 91 ASP HBy H 1 2.64 0.02 A 91 ASP HBx H 1 2.51 0.02 A 91 ASP C C 13 175.7 0.2 A 91 ASP CA C 13 53.9 0.2 A 91 ASP CB C 13 41.1 0.2 A 91 ASP N N 15 123.4 0.2 A 92 TYR H H 1 8.05 0.02 A 92 TYR HA H 1 4.46 0.02 A 92 TYR HBy H 1 3.07 0.02 A 92 TYR HBx H 1 2.89 0.02 A 92 TYR HDx H 1 7.11 0.02 A 92 TYR HDy H 1 7.11 0.02 A 92 TYR HEx H 1 6.81 0.02 A 92 TYR HEy H 1 6.81 0.02 A 92 TYR C C 13 175.2 0.2 A 92 TYR CA C 13 58.0 0.2 A 92 TYR CB C 13 38.6 0.2 A 92 TYR CDx C 13 133.2 0.2 A 92 TYR CDy C 13 133.2 0.2 A 92 TYR CEx C 13 118.1 0.2 A 92 TYR CEy C 13 118.1 0.2 A 92 TYR N N 15 120.8 0.2 A 93 ALA H H 1 8.17 0.02 A 93 ALA HA H 1 4.30 0.02 A 93 ALA HB% H 1 1.33 0.02 A 93 ALA C C 13 177.1 0.2 A 93 ALA CA C 13 52.4 0.2 A 93 ALA CB C 13 19.3 0.2 A 93 ALA N N 15 124.7 0.2 A 94 VAL H H 1 8.00 0.02 A 94 VAL HA H 1 4.05 0.02 A 94 VAL HB H 1 2.03 0.02 A 94 VAL HGx% H 1 0.91 0.02 A 94 VAL HGy% H 1 0.91 0.02 A 94 VAL C C 13 175.1 0.2 A 94 VAL CA C 13 62.4 0.2 A 94 VAL CB C 13 32.3 0.2 A 94 VAL CGx C 13 20.5 0.2 A 94 VAL CGy C 13 20.5 0.2 A 94 VAL N N 15 119.4 0.2 A 95 ARG H H 1 7.94 0.02 A 95 ARG HA H 1 4.18 0.02 A 95 ARG HBy H 1 1.82 0.02 A 95 ARG HBx H 1 1.69 0.02 A 95 ARG HDx H 1 3.15 0.02 A 95 ARG HDy H 1 3.15 0.02 A 95 ARG CA C 13 57.2 0.2 A 95 ARG CB C 13 31.6 0.2 A 95 ARG N N 15 129.7 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 28 PHE HBx A 52 THR HB 1.0 1.8 4.54 2 2 A 52 THR HB A 28 PHE HBy 1.0 1.8 5.55 3 3 A 28 PHE H A 52 THR HG2% 1.0 1.8 5.55 4 4 A 52 THR HG2% A 52 THR H 1.0 1.8 3.49 5 5 A 52 THR HG2% A 30 VAL HA 1.0 1.8 4.58 6 6 A 28 PHE HBx A 52 THR HG2% 1.0 1.8 3.75 7 7 A 28 PHE HBy A 52 THR HG2% 1.0 1.8 3.98 8 8 A 52 THR HG2% A 30 VAL HB 1.0 1.8 4.27 9 9 A 52 THR HG2% A 30 VAL HGx% 1.0 1.8 3.04 10 10 A 12 LEU HA A 12 LEU HDy% 1.0 1.8 4.56 11 11 A 12 LEU HA A 12 LEU HDx% 1.0 1.8 4.56 12 12 A 13 GLU HA A 14 ALA H 1.0 1.8 3.35 13 13 A 14 ALA HA A 15 GLN HGx 1.0 1.8 5.55 14 14 A 14 ALA HA A 15 GLN HGy 1.0 1.8 5.55 15 15 A 14 ALA H A 14 ALA HB% 1.0 1.8 3.29 16 16 A 16 THR HA A 16 THR HG2% 1.0 1.8 3.33 17 17 A 24 ASP H A 23 ASP HBx 1.0 1.8 4.59 18 18 A 24 ASP H A 23 ASP HBy 1.0 1.8 4.59 19 19 A 24 ASP H A 24 ASP HBy 1.0 1.8 3.49 20 20 A 27 TYR HDx A 25 GLU HBx 1.0 1.8 5.55 21 21 A 27 TYR HDx A 25 GLU HBy 1.0 1.8 5.55 22 22 A 25 GLU HA A 25 GLU HGy 1.0 1.8 3.89 23 23 A 25 GLU HA A 25 GLU HGx 1.0 1.8 3.89 24 24 A 26 LEU HBy A 57 ALA H 1.0 1.8 5.26 25 25 A 57 ALA H A 26 LEU HBx 1.0 1.8 4.63 26 26 A 26 LEU HBx A 26 LEU H 1.0 1.8 4.02 27 27 A 25 GLU HA A 26 LEU HBy 1.0 1.8 5.29 28 28 A 26 LEU HBy A 42 ASP HBy 1.0 1.8 4.51 29 29 A 58 THR H A 26 LEU HDx% 1.0 1.8 5.55 30 30 A 58 THR H A 26 LEU HDy% 1.0 1.8 5.55 31 31 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 4.00 32 32 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 4.00 33 33 A 57 ALA H A 26 LEU HG 1.0 1.8 4.89 34 34 A 26 LEU HG A 27 TYR H 1.0 1.8 4.81 35 35 A 26 LEU H A 26 LEU HG 1.0 1.8 4.47 36 36 A 26 LEU HG A 56 PRO HBy 1.0 1.8 3.66 37 37 A 28 PHE H A 27 TYR HBx 1.0 1.8 4.50 38 38 A 27 TYR HBx A 39 VAL HGx% 1.0 1.8 4.17 39 39 A 39 VAL HGx% A 27 TYR HBy 1.0 1.8 5.27 40 40 A 29 VAL HA A 39 VAL HA 1.0 1.8 4.45 41 41 A 29 VAL HA A 30 VAL HGy% 1.0 1.8 4.75 42 42 A 29 VAL H A 29 VAL HB 1.0 1.8 3.81 43 43 A 29 VAL HB A 54 GLY H 1.0 1.8 5.55 44 44 A 39 VAL HGx% A 29 VAL HB 1.0 1.8 4.59 45 45 A 29 VAL HB A 53 VAL HGy% 1.0 1.8 4.76 46 46 A 29 VAL H A 29 VAL HGx% 1.0 1.8 3.99 47 47 A 30 VAL H A 29 VAL HGx% 1.0 1.8 4.43 48 48 A 29 VAL HA A 29 VAL HGx% 1.0 1.8 3.86 49 49 A 30 VAL H A 29 VAL HGy% 1.0 1.8 4.43 50 50 A 29 VAL H A 29 VAL HGy% 1.0 1.8 3.99 51 51 A 29 VAL HA A 29 VAL HGy% 1.0 1.8 3.86 52 52 A 30 VAL HA A 31 ARG H 1.0 1.8 3.57 53 53 A 30 VAL HB A 31 ARG H 1.0 1.8 3.79 54 54 A 30 VAL HB A 51 GLU H 1.0 1.8 4.76 55 55 A 30 VAL HB A 50 TRP HBx 1.0 1.8 4.40 56 56 A 30 VAL HGy% A 40 TRP H 1.0 1.8 4.44 57 57 A 30 VAL HGy% A 38 SER H 1.0 1.8 4.18 58 58 A 30 VAL HGy% A 30 VAL H 1.0 1.8 3.23 59 59 A 30 VAL HGy% A 51 GLU H 1.0 1.8 4.94 60 60 A 30 VAL HGy% A 39 VAL H 1.0 1.8 4.43 61 61 A 30 VAL HGy% A 50 TRP HE3 1.0 1.8 4.11 62 62 A 39 VAL HA A 30 VAL HGy% 1.0 1.8 3.90 63 63 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 4.10 64 64 A 30 VAL HGy% A 38 SER HBy 1.0 1.8 4.12 65 65 A 30 VAL HGy% A 38 SER HBx 1.0 1.8 4.12 66 66 A 30 VAL HGy% A 50 TRP HBx 1.0 1.8 4.31 67 67 A 30 VAL HGx% A 40 TRP H 1.0 1.8 4.13 68 68 A 30 VAL HGx% A 31 ARG H 1.0 1.8 4.05 69 69 A 30 VAL HGx% A 40 TRP HE3 1.0 1.8 4.69 70 70 A 30 VAL HGx% A 50 TRP HE3 1.0 1.8 5.00 71 71 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 3.37 72 72 A 30 VAL HGx% A 39 VAL HA 1.0 1.8 4.40 73 73 A 30 VAL HGx% A 40 TRP HBy 1.0 1.8 3.66 74 74 A 30 VAL HGx% A 40 TRP HBx 1.0 1.8 3.66 75 75 A 28 PHE HBx A 30 VAL HGx% 1.0 1.8 3.71 76 76 A 28 PHE HBy A 30 VAL HGx% 1.0 1.8 4.04 77 77 A 31 ARG HBy A 37 TYR HEy 1.0 1.8 5.55 78 78 A 31 ARG HBy A 37 TYR HDy 1.0 1.8 4.93 79 79 A 53 VAL HGy% A 31 ARG HBx 1.0 1.8 4.92 80 80 A 31 ARG H A 31 ARG HDx 1.0 1.8 5.55 81 81 A 31 ARG H A 31 ARG HDy 1.0 1.8 5.55 82 82 A 31 ARG H A 31 ARG HGx 1.0 1.8 4.67 83 83 A 37 TYR HDy A 31 ARG HGy 1.0 1.8 5.25 84 84 A 31 ARG H A 31 ARG HGy 1.0 1.8 5.34 85 85 A 53 VAL HGy% A 31 ARG HGy 1.0 1.8 4.57 86 86 A 34 GLU H A 34 GLU HGx 1.0 1.8 3.88 87 87 A 34 GLU HGx A 35 GLY H 1.0 1.8 4.30 88 88 A 33 ASN H A 34 GLU HGy 1.0 1.8 4.62 89 89 A 34 GLU HGy A 36 GLN H 1.0 1.8 5.06 90 90 A 34 GLU H A 34 GLU HGy 1.0 1.8 3.99 91 91 A 34 GLU HGy A 34 GLU HA 1.0 1.8 3.91 92 92 A 34 GLU H A 33 ASN HBx 1.0 1.8 4.68 93 93 A 33 ASN H A 33 ASN HBx 1.0 1.8 4.00 94 94 A 33 ASN H A 33 ASN HBy 1.0 1.8 4.00 95 95 A 32 ASN HBy A 33 ASN HBx 1.0 1.8 5.28 96 96 A 32 ASN HBy A 33 ASN HBy 1.0 1.8 5.28 97 97 A 32 ASN HD2y A 34 GLU HBx 1.0 1.8 5.14 98 98 A 34 GLU HBx A 32 ASN HD2x 1.0 1.8 5.14 99 99 A 33 ASN H A 32 ASN HBx 1.0 1.8 4.83 100 100 A 34 GLU HGx A 36 GLN HA 1.0 1.8 4.44 101 101 A 37 TYR HDy A 38 SER HA 1.0 1.8 5.55 102 102 A 38 SER HA A 37 TYR HBx 1.0 1.8 4.43 103 103 A 38 SER HA A 37 TYR HBy 1.0 1.8 5.53 104 104 A 38 SER HA A 66 ILE HD1% 1.0 1.8 5.11 105 105 A 30 VAL HGy% A 38 SER HA 1.0 1.8 5.38 106 106 A 40 TRP H A 39 VAL HB 1.0 1.8 3.86 107 107 A 39 VAL H A 39 VAL HB 1.0 1.8 3.93 108 108 A 39 VAL HB A 27 TYR HDy 1.0 1.8 3.88 109 109 A 39 VAL HB A 27 TYR HEy 1.0 1.8 4.65 110 110 A 27 TYR HBx A 39 VAL HB 1.0 1.8 4.16 111 111 A 27 TYR HBy A 39 VAL HB 1.0 1.8 4.97 112 112 A 39 VAL H A 39 VAL HGy% 1.0 1.8 3.24 113 113 A 27 TYR HDy A 39 VAL HGy% 1.0 1.8 3.73 114 114 A 27 TYR HEy A 39 VAL HGy% 1.0 1.8 3.90 115 115 A 39 VAL HA A 39 VAL HGy% 1.0 1.8 3.82 116 116 A 29 VAL HA A 39 VAL HGy% 1.0 1.8 5.33 117 117 A 39 VAL HGy% A 63 LEU HA 1.0 1.8 5.55 118 118 A 39 VAL HGx% A 40 TRP H 1.0 1.8 3.91 119 119 A 39 VAL HGx% A 39 VAL H 1.0 1.8 3.59 120 120 A 39 VAL HGx% A 65 ARG H 1.0 1.8 5.55 121 121 A 39 VAL HGx% A 27 TYR HDy 1.0 1.8 4.22 122 122 A 39 VAL HGx% A 39 VAL HA 1.0 1.8 3.41 123 123 A 39 VAL HGx% A 29 VAL HA 1.0 1.8 4.34 124 124 A 39 VAL HGx% A 63 LEU HA 1.0 1.8 3.69 125 125 A 39 VAL HGx% A 62 CYS HBy 1.0 1.8 3.80 126 126 A 39 VAL HGx% A 62 CYS HBx 1.0 1.8 3.80 127 127 A 39 VAL HGx% A 63 LEU HBx 1.0 1.8 3.72 128 128 A 41 MET HA A 42 ASP H 1.0 1.8 3.57 129 129 A 27 TYR HDx A 41 MET HA 1.0 1.8 5.47 130 130 A 27 TYR HDy A 41 MET HA 1.0 1.8 5.55 131 131 A 41 MET HA A 27 TYR HEx 1.0 1.8 5.55 132 132 A 27 TYR HEy A 41 MET HA 1.0 1.8 5.55 133 133 A 42 ASP H A 41 MET HBy 1.0 1.8 4.74 134 134 A 42 ASP H A 41 MET HBx 1.0 1.8 4.74 135 135 A 41 MET H A 41 MET HBx 1.0 1.8 3.65 136 136 A 41 MET H A 41 MET HBy 1.0 1.8 3.65 137 137 A 41 MET H A 41 MET HGy 1.0 1.8 4.91 138 138 A 27 TYR HEx A 41 MET HGy 1.0 1.8 5.13 139 139 A 41 MET HA A 41 MET HGy 1.0 1.8 4.00 140 140 A 41 MET HA A 41 MET HGx 1.0 1.8 4.00 141 141 A 27 TYR HEx A 41 MET HGx 1.0 1.8 5.13 142 142 A 41 MET H A 41 MET HGx 1.0 1.8 4.91 143 143 A 27 TYR HEx A 41 MET HE% 1.0 1.8 3.64 144 144 A 44 ARG H A 42 ASP HBy 1.0 1.8 5.55 145 145 A 44 ARG H A 42 ASP HBx 1.0 1.8 5.55 146 146 A 26 LEU HBy A 42 ASP HBx 1.0 1.8 4.51 147 147 A 67 GLU HA A 95 ARG H 1.0 1.8 5.55 148 148 A 40 TRP HZ2 A 46 LEU HA 1.0 1.8 5.07 149 149 A 46 LEU HA A 47 PRO HDx 1.0 1.8 3.45 150 150 A 46 LEU HA A 47 PRO HDy 1.0 1.8 3.61 151 151 A 46 LEU H A 46 LEU HBx 1.0 1.8 3.72 152 152 A 46 LEU HBx A 45 SER HA 1.0 1.8 5.55 153 153 A 46 LEU HBx A 50 TRP HBy 1.0 1.8 4.36 154 154 A 47 PRO HDy A 46 LEU HBx 1.0 1.8 4.29 155 155 A 47 PRO HDy A 46 LEU HBy 1.0 1.8 4.37 156 156 A 40 TRP HE1 A 46 LEU HDx% 1.0 1.8 5.08 157 157 A 31 ARG H A 46 LEU HDx% 1.0 1.8 5.55 158 158 A 50 TRP HE3 A 46 LEU HDx% 1.0 1.8 4.23 159 159 A 40 TRP HZ2 A 46 LEU HDx% 1.0 1.8 5.55 160 160 A 40 TRP HD1 A 46 LEU HDx% 1.0 1.8 4.72 161 161 A 46 LEU HA A 46 LEU HDx% 1.0 1.8 4.05 162 162 A 40 TRP HBy A 46 LEU HDx% 1.0 1.8 4.98 163 163 A 46 LEU HDx% A 40 TRP HBx 1.0 1.8 4.98 164 164 A 50 TRP HBy A 46 LEU HDx% 1.0 1.8 4.09 165 165 A 50 TRP HBx A 46 LEU HDx% 1.0 1.8 3.80 166 166 A 47 PRO HDy A 46 LEU HDx% 1.0 1.8 4.35 167 167 A 46 LEU HBy A 46 LEU HDx% 1.0 1.8 3.36 168 168 A 30 VAL HGx% A 46 LEU HDx% 1.0 1.8 3.22 169 169 A 45 SER HA A 46 LEU HDx% 1.0 1.8 5.55 170 170 A 30 VAL HA A 46 LEU HDx% 1.0 1.8 5.55 171 171 A 31 ARG H A 46 LEU HDy% 1.0 1.8 5.55 172 172 A 50 TRP HE3 A 46 LEU HDy% 1.0 1.8 4.23 173 173 A 40 TRP HZ2 A 46 LEU HDy% 1.0 1.8 5.55 174 174 A 40 TRP HD1 A 46 LEU HDy% 1.0 1.8 4.72 175 175 A 30 VAL HA A 46 LEU HDy% 1.0 1.8 5.55 176 176 A 45 SER HA A 46 LEU HDy% 1.0 1.8 5.55 177 177 A 46 LEU HA A 46 LEU HDy% 1.0 1.8 4.05 178 178 A 40 TRP HBy A 46 LEU HDy% 1.0 1.8 4.98 179 179 A 40 TRP HBx A 46 LEU HDy% 1.0 1.8 4.98 180 180 A 50 TRP HBy A 46 LEU HDy% 1.0 1.8 4.09 181 181 A 50 TRP HBx A 46 LEU HDy% 1.0 1.8 3.80 182 182 A 47 PRO HDy A 46 LEU HDy% 1.0 1.8 4.35 183 183 A 46 LEU HBy A 46 LEU HDy% 1.0 1.8 3.36 184 184 A 30 VAL HGx% A 46 LEU HDy% 1.0 1.8 3.22 185 185 A 47 PRO HDx A 46 LEU HBy 1.0 1.8 5.11 186 186 A 40 TRP HZ2 A 47 PRO HDx 1.0 1.8 5.30 187 187 A 47 PRO HA A 48 ALA HB% 1.0 1.8 4.24 188 188 A 48 ALA HB% A 50 TRP HD1 1.0 1.8 5.55 189 189 A 50 TRP HD1 A 49 GLY HAx 1.0 1.8 4.80 190 190 A 50 TRP HBy A 46 LEU HBy 1.0 1.8 4.36 191 191 A 50 TRP HBx A 46 LEU HBy 1.0 1.8 4.78 192 192 A 51 GLU H A 51 GLU HBy 1.0 1.8 4.24 193 193 A 52 THR H A 51 GLU HBx 1.0 1.8 4.62 194 194 A 52 THR H A 51 GLU HGy 1.0 1.8 4.62 195 195 A 31 ARG H A 51 GLU HGy 1.0 1.8 5.02 196 196 A 51 GLU H A 51 GLU HGy 1.0 1.8 4.25 197 197 A 31 ARG H A 51 GLU HGx 1.0 1.8 5.02 198 198 A 51 GLU H A 51 GLU HGx 1.0 1.8 4.25 199 199 A 52 THR H A 51 GLU HGx 1.0 1.8 4.62 200 200 A 53 VAL HGy% A 51 GLU HGx 1.0 1.8 5.16 201 201 A 53 VAL HGy% A 51 GLU HGy 1.0 1.8 5.16 202 202 A 54 GLY H A 53 VAL HB 1.0 1.8 3.65 203 203 A 53 VAL HA A 53 VAL HGx% 1.0 1.8 3.27 204 204 A 30 VAL HA A 53 VAL HGy% 1.0 1.8 3.80 205 205 A 53 VAL HGy% A 37 TYR HEy 1.0 1.8 3.26 206 206 A 53 VAL HGy% A 37 TYR HDy 1.0 1.8 3.86 207 207 A 95 ARG H A 94 VAL HGy% 1.0 1.8 4.05 208 208 A 95 ARG H A 94 VAL HGx% 1.0 1.8 4.45 209 209 A 53 VAL HGy% A 53 VAL H 1.0 1.8 3.44 210 210 A 54 GLY H A 53 VAL HGx% 1.0 1.8 3.76 211 211 A 53 VAL HGy% A 31 ARG H 1.0 1.8 4.31 212 212 A 54 GLY HAy A 13 GLU HGx 1.0 1.8 5.55 213 213 A 13 GLU HGy A 54 GLY HAy 1.0 1.8 5.55 214 214 A 13 GLU HGx A 54 GLY HAx 1.0 1.8 5.55 215 215 A 13 GLU HGy A 54 GLY HAx 1.0 1.8 5.55 216 216 A 57 ALA H A 56 PRO HBx 1.0 1.8 4.18 217 217 A 56 PRO HBx A 28 PHE HEx 1.0 1.8 5.11 218 218 A 56 PRO HBx A 28 PHE HEy 1.0 1.8 5.48 219 219 A 26 LEU HBx A 56 PRO HBx 1.0 1.8 4.10 220 220 A 26 LEU HBx A 56 PRO HBy 1.0 1.8 3.83 221 221 A 56 PRO HBy A 28 PHE HEx 1.0 1.8 5.55 222 222 A 56 PRO HBy A 28 PHE HEy 1.0 1.8 5.55 223 223 A 57 ALA H A 56 PRO HBy 1.0 1.8 4.07 224 224 A 28 PHE HZ A 56 PRO HGy 1.0 1.8 4.92 225 225 A 28 PHE HEx A 56 PRO HGy 1.0 1.8 5.55 226 226 A 28 PHE HEy A 56 PRO HGy 1.0 1.8 5.55 227 227 A 28 PHE HEx A 56 PRO HGx 1.0 1.8 5.55 228 228 A 28 PHE HEy A 56 PRO HGx 1.0 1.8 5.55 229 229 A 28 PHE HZ A 56 PRO HGx 1.0 1.8 4.92 230 230 A 28 PHE HEx A 56 PRO HDx 1.0 1.8 4.97 231 231 A 28 PHE HEy A 56 PRO HDx 1.0 1.8 5.19 232 232 A 28 PHE HEx A 56 PRO HDy 1.0 1.8 5.27 233 233 A 28 PHE HEy A 56 PRO HDy 1.0 1.8 5.50 234 234 A 28 PHE HZ A 56 PRO HDx 1.0 1.8 5.16 235 235 A 57 ALA HB% A 62 CYS H 1.0 1.8 3.98 236 236 A 57 ALA HB% A 61 GLN H 1.0 1.8 4.21 237 237 A 57 ALA HB% A 56 PRO HA 1.0 1.8 4.92 238 238 A 57 ALA HB% A 61 GLN HA 1.0 1.8 4.50 239 239 A 57 ALA HB% A 62 CYS HA 1.0 1.8 4.45 240 240 A 57 ALA HB% A 61 GLN HBx 1.0 1.8 3.68 241 241 A 58 THR HG2% A 59 LYS H 1.0 1.8 3.99 242 242 A 58 THR HG2% A 60 GLN H 1.0 1.8 4.32 243 243 A 58 THR H A 58 THR HG2% 1.0 1.8 2.87 244 244 A 61 GLN H A 58 THR HG2% 1.0 1.8 4.14 245 245 A 58 THR HG2% A 57 ALA HA 1.0 1.8 4.58 246 246 A 58 THR HG2% A 61 GLN HGx 1.0 1.8 4.22 247 247 A 58 THR HG2% A 61 GLN HGy 1.0 1.8 4.22 248 248 A 62 CYS H A 59 LYS HA 1.0 1.8 4.47 249 249 A 27 TYR HDx A 59 LYS HA 1.0 1.8 5.46 250 250 A 27 TYR HDy A 59 LYS HA 1.0 1.8 5.55 251 251 A 27 TYR HBx A 59 LYS HA 1.0 1.8 4.53 252 252 A 27 TYR HBy A 59 LYS HA 1.0 1.8 4.24 253 253 A 39 VAL HGy% A 59 LYS HA 1.0 1.8 4.71 254 254 A 27 TYR HEy A 59 LYS HBy 1.0 1.8 5.11 255 255 A 59 LYS HA A 59 LYS HGy 1.0 1.8 4.11 256 256 A 59 LYS H A 59 LYS HGy 1.0 1.8 4.74 257 257 A 59 LYS H A 59 LYS HGx 1.0 1.8 4.74 258 258 A 59 LYS HA A 59 LYS HGx 1.0 1.8 4.11 259 259 A 59 LYS H A 59 LYS HDy 1.0 1.8 5.29 260 260 A 59 LYS H A 59 LYS HDx 1.0 1.8 5.29 261 261 A 60 GLN H A 59 LYS HDx 1.0 1.8 5.55 262 262 A 60 GLN H A 59 LYS HDy 1.0 1.8 5.55 263 263 A 59 LYS HA A 59 LYS HDy 1.0 1.8 4.92 264 264 A 59 LYS HA A 59 LYS HDx 1.0 1.8 4.92 265 265 A 39 VAL HGy% A 59 LYS HDx 1.0 1.8 5.15 266 266 A 39 VAL HGy% A 59 LYS HDy 1.0 1.8 5.15 267 267 A 60 GLN HA A 63 LEU H 1.0 1.8 4.06 268 268 A 60 GLN HA A 63 LEU HDy% 1.0 1.8 3.48 269 269 A 61 GLN H A 60 GLN HBx 1.0 1.8 3.94 270 270 A 60 GLN HA A 60 GLN HGx 1.0 1.8 3.78 271 271 A 60 GLN HA A 60 GLN HGy 1.0 1.8 3.78 272 272 A 61 GLN H A 61 GLN HBx 1.0 1.8 3.95 273 273 A 62 CYS H A 61 GLN HBy 1.0 1.8 4.28 274 274 A 61 GLN H A 61 GLN HBy 1.0 1.8 3.95 275 275 A 57 ALA HB% A 61 GLN HBy 1.0 1.8 3.68 276 276 A 62 CYS H A 61 GLN HGx 1.0 1.8 5.55 277 277 A 62 CYS H A 61 GLN HGy 1.0 1.8 5.55 278 278 A 58 THR H A 61 GLN HGx 1.0 1.8 5.55 279 279 A 58 THR H A 61 GLN HGy 1.0 1.8 5.55 280 280 A 63 LEU HA A 65 ARG H 1.0 1.8 4.31 281 281 A 63 LEU HA A 63 LEU HDx% 1.0 1.8 3.85 282 282 A 63 LEU HBx A 64 GLN H 1.0 1.8 4.14 283 283 A 63 LEU H A 63 LEU HG 1.0 1.8 3.84 284 284 A 60 GLN H A 63 LEU HG 1.0 1.8 4.75 285 285 A 64 GLN H A 63 LEU HG 1.0 1.8 4.24 286 286 A 60 GLN HA A 63 LEU HG 1.0 1.8 3.31 287 287 A 59 LYS HA A 63 LEU HG 1.0 1.8 5.13 288 288 A 63 LEU H A 63 LEU HDx% 1.0 1.8 4.19 289 289 A 63 LEU HDx% A 64 GLN H 1.0 1.8 4.07 290 290 A 63 LEU HDx% A 95 ARG HDx 1.0 1.8 5.38 291 291 A 63 LEU HDx% A 95 ARG HDy 1.0 1.8 5.38 292 292 A 63 LEU HBx A 63 LEU HDy% 1.0 1.8 3.18 293 293 A 63 LEU HDx% A 63 LEU HBy 1.0 1.8 3.14 294 294 A 64 GLN H A 64 GLN HBx 1.0 1.8 3.22 295 295 A 63 LEU H A 64 GLN HBx 1.0 1.8 5.52 296 296 A 63 LEU H A 64 GLN HBy 1.0 1.8 5.52 297 297 A 64 GLN HA A 64 GLN HGx 1.0 1.8 3.60 298 298 A 64 GLN HA A 64 GLN HGy 1.0 1.8 3.52 299 299 A 65 ARG H A 64 GLN HGy 1.0 1.8 4.13 300 300 A 65 ARG HA A 68 GLN H 1.0 1.8 4.08 301 301 A 65 ARG HA A 68 GLN HBx 1.0 1.8 3.91 302 302 A 65 ARG HA A 66 ILE HG1y 1.0 1.8 5.55 303 303 A 65 ARG H A 65 ARG HBx 1.0 1.8 3.39 304 304 A 65 ARG H A 65 ARG HBy 1.0 1.8 3.65 305 305 A 62 CYS HA A 65 ARG HBy 1.0 1.8 4.29 306 306 A 65 ARG H A 65 ARG HDy 1.0 1.8 5.55 307 307 A 65 ARG H A 65 ARG HDx 1.0 1.8 5.55 308 308 A 65 ARG HBx A 65 ARG HDy 1.0 1.8 4.15 309 309 A 65 ARG HBx A 65 ARG HDx 1.0 1.8 4.15 310 310 A 65 ARG H A 65 ARG HGy 1.0 1.8 4.64 311 311 A 65 ARG H A 65 ARG HGx 1.0 1.8 4.64 312 312 A 65 ARG HA A 65 ARG HGx 1.0 1.8 3.89 313 313 A 65 ARG HA A 65 ARG HGy 1.0 1.8 3.89 314 314 A 69 LEU HG A 65 ARG HGy 1.0 1.8 4.93 315 315 A 69 LEU HG A 65 ARG HGx 1.0 1.8 4.93 316 316 A 67 GLU H A 67 GLU HGy 1.0 1.8 4.21 317 317 A 67 GLU H A 67 GLU HGx 1.0 1.8 4.21 318 318 A 68 GLN H A 67 GLU HGx 1.0 1.8 5.16 319 319 A 67 GLU HA A 67 GLU HGx 1.0 1.8 4.02 320 320 A 67 GLU HA A 67 GLU HGy 1.0 1.8 4.02 321 321 A 95 ARG H A 67 GLU HBx 1.0 1.8 5.32 322 322 A 95 ARG H A 67 GLU HBy 1.0 1.8 5.32 323 323 A 68 GLN H A 68 GLN HBx 1.0 1.8 3.23 324 324 A 68 GLN H A 68 GLN HGy 1.0 1.8 4.07 325 325 A 68 GLN H A 68 GLN HGx 1.0 1.8 4.07 326 326 A 70 TRP H A 69 LEU HBx 1.0 1.8 4.63 327 327 A 70 TRP H A 69 LEU HBy 1.0 1.8 4.63 328 328 A 69 LEU HG A 69 LEU H 1.0 1.8 4.14 329 329 A 69 LEU HG A 70 TRP H 1.0 1.8 4.97 330 330 A 68 GLN H A 69 LEU HG 1.0 1.8 5.13 331 331 A 68 GLN H A 69 LEU HDx% 1.0 1.8 5.55 332 332 A 68 GLN H A 69 LEU HDy% 1.0 1.8 5.55 333 333 A 69 LEU H A 69 LEU HDx% 1.0 1.8 4.94 334 334 A 69 LEU H A 69 LEU HDy% 1.0 1.8 4.94 335 335 A 70 TRP H A 69 LEU HDx% 1.0 1.8 4.86 336 336 A 70 TRP H A 69 LEU HDy% 1.0 1.8 4.86 337 337 A 71 THR H A 70 TRP HBy 1.0 1.8 5.11 338 338 A 71 THR H A 71 THR HB 1.0 1.8 3.86 339 339 A 71 THR HB A 72 ASP H 1.0 1.8 4.02 340 340 A 71 THR H A 71 THR HG2% 1.0 1.8 3.75 341 341 A 72 ASP H A 71 THR HG2% 1.0 1.8 4.50 342 342 A 71 THR HG2% A 71 THR HA 1.0 1.8 3.17 343 343 A 69 LEU H A 72 ASP HA 1.0 1.8 4.77 344 344 A 72 ASP H A 72 ASP HBy 1.0 1.8 3.77 345 345 A 68 GLN HA A 72 ASP HBx 1.0 1.8 4.88 346 346 A 68 GLN HA A 72 ASP HBy 1.0 1.8 4.88 347 347 A 94 VAL HGx% A 72 ASP HBy 1.0 1.8 5.55 348 348 A 94 VAL HGx% A 72 ASP HBx 1.0 1.8 5.55 349 349 A 75 PRO HA A 76 ALA HB% 1.0 1.8 4.64 350 350 A 74 VAL HA A 75 PRO HDx 1.0 1.8 3.88 351 351 A 76 ALA HB% A 77 SER HBx 1.0 1.8 5.55 352 352 A 76 ALA HB% A 77 SER HBy 1.0 1.8 5.55 353 353 A 76 ALA HB% A 77 SER HA 1.0 1.8 4.24 354 354 A 76 ALA HB% A 76 ALA H 1.0 1.8 3.38 355 355 A 76 ALA HB% A 77 SER H 1.0 1.8 4.36 356 356 A 78 VAL HA A 81 HIS HBy 1.0 1.8 4.91 357 357 A 78 VAL HA A 78 VAL HGy% 1.0 1.8 3.31 358 358 A 78 VAL HGx% A 79 ARG H 1.0 1.8 4.72 359 359 A 79 ARG HA A 80 GLU H 1.0 1.8 3.54 360 360 A 79 ARG HA A 82 LEU H 1.0 1.8 3.80 361 361 A 78 VAL HGx% A 79 ARG HA 1.0 1.8 4.02 362 362 A 78 VAL HGy% A 79 ARG HA 1.0 1.8 4.58 363 363 A 79 ARG H A 79 ARG HBx 1.0 1.8 4.05 364 364 A 80 GLU H A 79 ARG HBx 1.0 1.8 4.60 365 365 A 78 VAL HGx% A 79 ARG HGy 1.0 1.8 4.31 366 366 A 78 VAL HGx% A 79 ARG HGx 1.0 1.8 4.31 367 367 A 79 ARG HA A 79 ARG HGx 1.0 1.8 3.99 368 368 A 79 ARG HA A 79 ARG HGy 1.0 1.8 3.99 369 369 A 78 VAL HGx% A 79 ARG HDx 1.0 1.8 5.55 370 370 A 78 VAL HGx% A 79 ARG HDy 1.0 1.8 5.55 371 371 A 79 ARG HA A 79 ARG HDx 1.0 1.8 5.47 372 372 A 79 ARG HA A 79 ARG HDy 1.0 1.8 5.47 373 373 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 4.59 374 374 A 79 ARG HA A 82 LEU HBy 1.0 1.8 4.87 375 375 A 79 ARG HA A 82 LEU HBx 1.0 1.8 4.87 376 376 A 82 LEU HA A 82 LEU HDx% 1.0 1.8 4.59 377 377 A 79 ARG HA A 82 LEU HDx% 1.0 1.8 5.55 378 378 A 79 ARG HA A 82 LEU HDy% 1.0 1.8 5.55 379 379 A 90 ILE HA A 90 ILE HG1y 1.0 1.8 4.06 380 380 A 90 ILE HA A 90 ILE HG1x 1.0 1.8 4.06 381 381 A 90 ILE HA A 90 ILE HG2% 1.0 1.8 3.36 382 382 A 90 ILE HB A 91 ASP H 1.0 1.8 4.48 383 383 A 90 ILE HB A 90 ILE H 1.0 1.8 3.87 384 384 A 90 ILE H A 90 ILE HD1% 1.0 1.8 4.91 385 385 A 90 ILE HA A 90 ILE HD1% 1.0 1.8 4.29 386 386 A 90 ILE HB A 90 ILE HD1% 1.0 1.8 3.37 387 387 A 90 ILE HG2% A 91 ASP H 1.0 1.8 4.07 388 388 A 90 ILE HG2% A 90 ILE H 1.0 1.8 4.02 389 389 A 90 ILE H A 90 ILE HG1x 1.0 1.8 4.27 390 390 A 92 TYR HA A 92 TYR HDx 1.0 1.8 4.70 391 391 A 92 TYR HA A 92 TYR HDy 1.0 1.8 5.11 392 392 A 95 ARG H A 94 VAL HB 1.0 1.8 4.53 393 393 A 95 ARG H A 94 VAL HA 1.0 1.8 2.83 394 394 A 94 VAL HGy% A 94 VAL HA 1.0 1.8 3.23 395 395 A 94 VAL HGx% A 94 VAL HA 1.0 1.8 3.74 396 396 A 94 VAL HGx% A 94 VAL H 1.0 1.8 3.29 397 397 A 94 VAL HGx% A 74 VAL HB 1.0 1.8 2.70 398 398 A 39 VAL H A 66 ILE HD1% 1.0 1.8 4.87 399 399 A 66 ILE HD1% A 67 GLU H 1.0 1.8 4.54 400 400 A 66 ILE HD1% A 37 TYR HDx 1.0 1.8 5.38 401 401 A 37 TYR HDy A 66 ILE HD1% 1.0 1.8 5.55 402 402 A 29 VAL HA A 66 ILE HD1% 1.0 1.8 4.69 403 403 A 66 ILE HD1% A 63 LEU HA 1.0 1.8 3.59 404 404 A 66 ILE HD1% A 66 ILE HA 1.0 1.8 4.39 405 405 A 37 TYR HBx A 66 ILE HD1% 1.0 1.8 3.63 406 406 A 37 TYR HBy A 66 ILE HD1% 1.0 1.8 3.78 407 407 A 66 ILE HD1% A 66 ILE HB 1.0 1.8 3.13 408 408 A 65 ARG H A 66 ILE HG2% 1.0 1.8 5.07 409 409 A 67 GLU H A 66 ILE HG2% 1.0 1.8 4.33 410 410 A 63 LEU HA A 66 ILE HG2% 1.0 1.8 4.74 411 411 A 66 ILE HA A 66 ILE HG2% 1.0 1.8 3.97 412 412 A 37 TYR HBx A 66 ILE HG2% 1.0 1.8 4.36 413 413 A 37 TYR HBy A 66 ILE HG2% 1.0 1.8 4.30 414 414 A 67 GLU H A 66 ILE HB 1.0 1.8 4.11 415 415 A 74 VAL HA A 75 PRO HDy 1.0 1.8 3.88 416 416 A 74 VAL HA A 94 VAL HB 1.0 1.8 4.62 417 417 A 74 VAL HB A 75 PRO HDy 1.0 1.8 5.08 418 418 A 74 VAL HB A 75 PRO HDx 1.0 1.8 5.08 419 419 A 74 VAL HGx% A 75 PRO HDx 1.0 1.8 4.64 420 420 A 74 VAL HGy% A 75 PRO HDx 1.0 1.8 4.64 421 421 A 74 VAL HGx% A 75 PRO HDy 1.0 1.8 4.64 422 422 A 75 PRO HDy A 74 VAL HGy% 1.0 1.8 4.64 423 423 A 74 VAL H A 74 VAL HGx% 1.0 1.8 4.46 424 424 A 74 VAL H A 74 VAL HGy% 1.0 1.8 4.46 425 425 A 45 SER HA A 46 LEU HBy 1.0 1.8 4.57 426 426 A 46 LEU HA A 45 SER HA 1.0 1.8 4.50 427 427 A 68 GLN H A 66 ILE HA 1.0 1.8 5.55 428 428 A 66 ILE HA A 69 LEU HBy 1.0 1.8 4.40 429 429 A 66 ILE HA A 69 LEU HBx 1.0 1.8 4.40 430 430 A 69 LEU HG A 66 ILE HA 1.0 1.8 4.19 431 431 A 65 ARG H A 62 CYS HA 1.0 1.8 3.97 432 432 A 62 CYS HA A 65 ARG HBx 1.0 1.8 3.60 433 433 A 39 VAL HGx% A 62 CYS HA 1.0 1.8 4.62 434 434 A 40 TRP HZ2 A 44 ARG HDy 1.0 1.8 5.00 435 435 A 40 TRP HZ2 A 44 ARG HDx 1.0 1.8 5.00 436 436 A 44 ARG H A 44 ARG HDx 1.0 1.8 5.55 437 437 A 44 ARG H A 44 ARG HDy 1.0 1.8 5.55 438 438 A 41 MET H A 44 ARG HDy 1.0 1.8 5.55 439 439 A 41 MET H A 44 ARG HDx 1.0 1.8 5.55 440 440 A 40 TRP HE1 A 44 ARG HDx 1.0 1.8 4.83 441 441 A 40 TRP HE1 A 44 ARG HDy 1.0 1.8 4.83 442 442 A 44 ARG H A 44 ARG HGx 1.0 1.8 5.55 443 443 A 44 ARG H A 44 ARG HGy 1.0 1.8 5.55 444 444 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.96 445 445 A 65 ARG H A 66 ILE HG1y 1.0 1.8 4.56 446 446 A 66 ILE HG1y A 29 VAL HGx% 1.0 1.8 4.92 447 447 A 66 ILE HG1y A 29 VAL HGy% 1.0 1.8 4.92 448 448 A 65 ARG H A 66 ILE HG1x 1.0 1.8 5.05 449 449 A 82 LEU H A 81 HIS HBy 1.0 1.8 4.68 450 450 A 82 LEU H A 81 HIS HBx 1.0 1.8 4.68 451 451 A 78 VAL HA A 81 HIS HBx 1.0 1.8 4.91 452 452 A 47 PRO HDy A 50 TRP HD1 1.0 1.8 4.59 453 453 A 50 TRP HD1 A 47 PRO HBy 1.0 1.8 4.27 454 454 A 40 TRP HZ2 A 47 PRO HDy 1.0 1.8 5.55 455 455 A 37 TYR HDy A 31 ARG HBx 1.0 1.8 3.94 456 456 A 37 TYR HEy A 37 TYR HBx 1.0 1.8 5.08 457 457 A 37 TYR HEy A 31 ARG HBx 1.0 1.8 4.64 458 458 A 46 LEU H A 45 SER HA 1.0 1.8 2.67 459 459 A 47 PRO HDy A 46 LEU H 1.0 1.8 5.03 460 460 A 46 LEU H A 46 LEU HBy 1.0 1.8 2.80 461 461 A 12 LEU H A 12 LEU HDx% 1.0 1.8 5.55 462 462 A 12 LEU H A 12 LEU HDy% 1.0 1.8 5.55 463 463 A 13 GLU H A 12 LEU HDx% 1.0 1.8 5.55 464 464 A 13 GLU H A 12 LEU HDy% 1.0 1.8 5.55 465 465 A 15 GLN HA A 16 THR H 1.0 1.8 3.46 466 466 A 16 THR H A 16 THR HB 1.0 1.8 4.22 467 467 A 16 THR H A 15 GLN HGx 1.0 1.8 5.55 468 468 A 16 THR H A 15 GLN HGy 1.0 1.8 5.55 469 469 A 16 THR H A 15 GLN HBy 1.0 1.8 5.19 470 470 A 16 THR H A 15 GLN HBx 1.0 1.8 5.19 471 471 A 16 THR HG2% A 16 THR H 1.0 1.8 4.42 472 472 A 18 GLY H A 19 PRO HDx 1.0 1.8 5.55 473 473 A 18 GLY H A 19 PRO HDy 1.0 1.8 5.55 474 474 A 16 THR HB A 17 GLN H 1.0 1.8 4.50 475 475 A 17 GLN H A 15 GLN HBy 1.0 1.8 5.24 476 476 A 17 GLN H A 15 GLN HBx 1.0 1.8 5.24 477 477 A 16 THR HG2% A 17 GLN H 1.0 1.8 5.29 478 478 A 20 GLY H A 21 SER H 1.0 1.8 4.83 479 479 A 22 MET H A 23 ASP H 1.0 1.8 4.41 480 480 A 22 MET H A 21 SER HBx 1.0 1.8 5.32 481 481 A 22 MET H A 21 SER HBy 1.0 1.8 5.32 482 482 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.91 483 483 A 23 ASP H A 23 ASP HBx 1.0 1.8 3.91 484 484 A 23 ASP H A 22 MET HBy 1.0 1.8 4.66 485 485 A 23 ASP H A 22 MET HBx 1.0 1.8 4.66 486 486 A 23 ASP H A 21 SER HBx 1.0 1.8 5.55 487 487 A 23 ASP H A 21 SER HBy 1.0 1.8 5.55 488 488 A 23 ASP H A 22 MET HA 1.0 1.8 3.08 489 489 A 24 ASP H A 24 ASP HBx 1.0 1.8 3.49 490 490 A 25 GLU H A 25 GLU HGy 1.0 1.8 3.74 491 491 A 25 GLU H A 25 GLU HGx 1.0 1.8 3.74 492 492 A 25 GLU HA A 26 LEU H 1.0 1.8 2.79 493 493 A 26 LEU HBy A 26 LEU H 1.0 1.8 3.35 494 494 A 26 LEU H A 27 TYR H 1.0 1.8 4.62 495 495 A 27 TYR HDx A 27 TYR H 1.0 1.8 4.20 496 496 A 26 LEU HA A 27 TYR H 1.0 1.8 2.98 497 497 A 27 TYR H A 27 TYR HBx 1.0 1.8 3.96 498 498 A 27 TYR H A 27 TYR HBy 1.0 1.8 3.71 499 499 A 26 LEU HBy A 27 TYR H 1.0 1.8 4.13 500 500 A 27 TYR H A 56 PRO HBy 1.0 1.8 4.92 501 501 A 26 LEU HBx A 27 TYR H 1.0 1.8 3.71 502 502 A 27 TYR H A 56 PRO HBx 1.0 1.8 5.37 503 503 A 28 PHE H A 42 ASP H 1.0 1.8 5.01 504 504 A 28 PHE H A 28 PHE HDx 1.0 1.8 5.54 505 505 A 28 PHE H A 28 PHE HDy 1.0 1.8 5.55 506 506 A 28 PHE H A 27 TYR HA 1.0 1.8 3.28 507 507 A 28 PHE HBx A 28 PHE H 1.0 1.8 4.15 508 508 A 28 PHE HBy A 28 PHE H 1.0 1.8 3.66 509 509 A 28 PHE H A 27 TYR HBy 1.0 1.8 4.30 510 510 A 28 PHE H A 29 VAL H 1.0 1.8 4.86 511 511 A 29 VAL H A 28 PHE HDx 1.0 1.8 5.55 512 512 A 29 VAL H A 28 PHE HDy 1.0 1.8 5.55 513 513 A 29 VAL H A 28 PHE HA 1.0 1.8 3.22 514 514 A 28 PHE HBx A 29 VAL H 1.0 1.8 4.13 515 515 A 28 PHE HBy A 29 VAL H 1.0 1.8 4.68 516 516 A 29 VAL H A 53 VAL HB 1.0 1.8 5.28 517 517 A 39 VAL HGx% A 29 VAL H 1.0 1.8 5.29 518 518 A 39 VAL HA A 30 VAL H 1.0 1.8 4.31 519 519 A 29 VAL HA A 30 VAL H 1.0 1.8 3.38 520 520 A 39 VAL HGx% A 30 VAL H 1.0 1.8 4.85 521 521 A 34 GLU H A 33 ASN H 1.0 1.8 4.41 522 522 A 33 ASN H A 32 ASN HBy 1.0 1.8 3.94 523 523 A 34 GLU H A 35 GLY H 1.0 1.8 3.23 524 524 A 34 GLU H A 36 GLN H 1.0 1.8 4.42 525 525 A 34 GLU H A 33 ASN HBy 1.0 1.8 4.68 526 526 A 34 GLU H A 34 GLU HBy 1.0 1.8 4.00 527 527 A 31 ARG HGx A 35 GLY H 1.0 1.8 5.55 528 528 A 35 GLY H A 36 GLN H 1.0 1.8 3.21 529 529 A 30 VAL H A 38 SER H 1.0 1.8 3.96 530 530 A 38 SER H A 37 TYR HDy 1.0 1.8 4.94 531 531 A 38 SER H A 37 TYR HBx 1.0 1.8 4.07 532 532 A 38 SER H A 37 TYR HBy 1.0 1.8 4.49 533 533 A 38 SER H A 66 ILE HD1% 1.0 1.8 4.43 534 534 A 40 TRP H A 39 VAL H 1.0 1.8 5.16 535 535 A 39 VAL HA A 40 TRP H 1.0 1.8 3.29 536 536 A 40 TRP H A 39 VAL HGy% 1.0 1.8 4.23 537 537 A 30 VAL H A 40 TRP H 1.0 1.8 5.04 538 538 A 41 MET H A 40 TRP HBy 1.0 1.8 5.48 539 539 A 41 MET H A 40 TRP HBx 1.0 1.8 5.48 540 540 A 40 TRP H A 41 MET H 1.0 1.8 5.27 541 541 A 27 TYR HDy A 41 MET H 1.0 1.8 5.08 542 542 A 42 ASP H A 27 TYR HA 1.0 1.8 3.66 543 543 A 42 ASP HA A 43 GLY H 1.0 1.8 3.02 544 544 A 44 ARG H A 43 GLY H 1.0 1.8 3.40 545 545 A 44 ARG H A 40 TRP HE1 1.0 1.8 5.28 546 546 A 44 ARG H A 42 ASP HA 1.0 1.8 4.22 547 547 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.96 548 548 A 46 LEU HA A 45 SER H 1.0 1.8 5.55 549 549 A 47 PRO HA A 48 ALA H 1.0 1.8 2.67 550 550 A 48 ALA H A 47 PRO HBx 1.0 1.8 3.97 551 551 A 48 ALA HB% A 48 ALA H 1.0 1.8 2.62 552 552 A 48 ALA H A 49 GLY H 1.0 1.8 4.71 553 553 A 49 GLY H A 50 TRP H 1.0 1.8 3.67 554 554 A 49 GLY H A 48 ALA HA 1.0 1.8 2.91 555 555 A 48 ALA HB% A 49 GLY H 1.0 1.8 3.49 556 556 A 50 TRP HD1 A 50 TRP H 1.0 1.8 4.09 557 557 A 50 TRP H A 48 ALA HA 1.0 1.8 4.12 558 558 A 50 TRP HBy A 50 TRP H 1.0 1.8 3.39 559 559 A 50 TRP HBx A 50 TRP H 1.0 1.8 3.68 560 560 A 48 ALA HB% A 50 TRP H 1.0 1.8 4.74 561 561 A 31 ARG H A 51 GLU H 1.0 1.8 3.80 562 562 A 51 GLU H A 50 TRP H 1.0 1.8 4.92 563 563 A 51 GLU H A 50 TRP HBy 1.0 1.8 4.19 564 564 A 51 GLU H A 50 TRP HBx 1.0 1.8 3.92 565 565 A 51 GLU H A 51 GLU HBx 1.0 1.8 4.02 566 566 A 51 GLU H A 46 LEU HBx 1.0 1.8 5.55 567 567 A 30 VAL HGx% A 51 GLU H 1.0 1.8 5.18 568 568 A 52 THR HB A 52 THR H 1.0 1.8 4.09 569 569 A 52 THR H A 51 GLU HBy 1.0 1.8 3.39 570 570 A 52 THR H A 30 VAL HGx% 1.0 1.8 4.70 571 571 A 52 THR H A 53 VAL H 1.0 1.8 4.85 572 572 A 30 VAL HA A 53 VAL H 1.0 1.8 3.85 573 573 A 52 THR HB A 53 VAL H 1.0 1.8 3.42 574 574 A 28 PHE HBx A 53 VAL H 1.0 1.8 4.57 575 575 A 29 VAL HB A 53 VAL H 1.0 1.8 5.55 576 576 A 53 VAL HB A 53 VAL H 1.0 1.8 3.94 577 577 A 30 VAL HGx% A 53 VAL H 1.0 1.8 3.88 578 578 A 52 THR HG2% A 53 VAL H 1.0 1.8 3.82 579 579 A 53 VAL H A 28 PHE HDx 1.0 1.8 5.55 580 580 A 53 VAL H A 28 PHE HDy 1.0 1.8 5.55 581 581 A 54 GLY H A 53 VAL HA 1.0 1.8 2.76 582 582 A 54 GLY H A 13 GLU HGx 1.0 1.8 5.55 583 583 A 54 GLY H A 13 GLU HGy 1.0 1.8 5.55 584 584 A 54 GLY H A 55 GLU H 1.0 1.8 4.54 585 585 A 55 GLU H A 54 GLY HAy 1.0 1.8 3.27 586 586 A 55 GLU H A 54 GLY HAx 1.0 1.8 3.27 587 587 A 56 PRO HDx A 55 GLU H 1.0 1.8 5.03 588 588 A 55 GLU H A 55 GLU HBy 1.0 1.8 3.63 589 589 A 55 GLU H A 55 GLU HBx 1.0 1.8 3.63 590 590 A 57 ALA H A 27 TYR H 1.0 1.8 3.36 591 591 A 57 ALA H A 58 THR H 1.0 1.8 4.72 592 592 A 57 ALA H A 56 PRO HA 1.0 1.8 2.94 593 593 A 57 ALA H A 27 TYR HBy 1.0 1.8 5.01 594 594 A 57 ALA H A 57 ALA HB% 1.0 1.8 3.29 595 595 A 58 THR H A 59 LYS H 1.0 1.8 5.10 596 596 A 58 THR H A 61 GLN H 1.0 1.8 4.34 597 597 A 58 THR H A 57 ALA HB% 1.0 1.8 2.89 598 598 A 27 TYR HDx A 59 LYS H 1.0 1.8 4.71 599 599 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.70 600 600 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.64 601 601 A 38 SER H A 39 VAL H 1.0 1.8 5.20 602 602 A 59 LYS H A 60 GLN H 1.0 1.8 3.55 603 603 A 61 GLN H A 60 GLN H 1.0 1.8 3.44 604 604 A 60 GLN H A 60 GLN HGx 1.0 1.8 4.81 605 605 A 60 GLN H A 60 GLN HGy 1.0 1.8 4.81 606 606 A 60 GLN H A 60 GLN HBy 1.0 1.8 3.62 607 607 A 60 GLN H A 60 GLN HBx 1.0 1.8 3.62 608 608 A 60 GLN H A 59 LYS HBx 1.0 1.8 3.33 609 609 A 60 GLN H A 59 LYS HBy 1.0 1.8 3.94 610 610 A 60 GLN H A 63 LEU HDy% 1.0 1.8 4.66 611 611 A 62 CYS H A 61 GLN H 1.0 1.8 3.28 612 612 A 61 GLN H A 59 LYS H 1.0 1.8 5.12 613 613 A 61 GLN H A 59 LYS HA 1.0 1.8 4.70 614 614 A 61 GLN H A 60 GLN HBy 1.0 1.8 3.94 615 615 A 62 CYS H A 62 CYS HBy 1.0 1.8 3.70 616 616 A 62 CYS H A 62 CYS HBx 1.0 1.8 3.70 617 617 A 62 CYS H A 61 GLN HBx 1.0 1.8 4.28 618 618 A 63 LEU H A 63 LEU HDy% 1.0 1.8 3.44 619 619 A 63 LEU H A 63 LEU HBy 1.0 1.8 3.83 620 620 A 63 LEU HBx A 63 LEU H 1.0 1.8 3.34 621 621 A 63 LEU H A 62 CYS HBx 1.0 1.8 4.07 622 622 A 63 LEU H A 62 CYS HBy 1.0 1.8 4.07 623 623 A 63 LEU H A 64 GLN H 1.0 1.8 3.44 624 624 A 64 GLN H A 63 LEU HBy 1.0 1.8 4.09 625 625 A 64 GLN H A 64 GLN HBy 1.0 1.8 3.22 626 626 A 65 ARG H A 67 GLU H 1.0 1.8 4.16 627 627 A 67 GLU H A 67 GLU HBx 1.0 1.8 4.19 628 628 A 67 GLU H A 67 GLU HBy 1.0 1.8 4.19 629 629 A 67 GLU H A 66 ILE HG1x 1.0 1.8 4.00 630 630 A 64 GLN HA A 68 GLN H 1.0 1.8 4.69 631 631 A 68 GLN H A 67 GLU HGy 1.0 1.8 5.16 632 632 A 69 LEU H A 69 LEU HBx 1.0 1.8 4.01 633 633 A 69 LEU H A 69 LEU HBy 1.0 1.8 4.01 634 634 A 68 GLN HBx A 69 LEU H 1.0 1.8 3.86 635 635 A 69 LEU H A 66 ILE HA 1.0 1.8 4.40 636 636 A 68 GLN H A 69 LEU H 1.0 1.8 3.48 637 637 A 70 TRP H A 69 LEU H 1.0 1.8 3.83 638 638 A 70 TRP H A 71 THR H 1.0 1.8 4.08 639 639 A 71 THR H A 72 ASP H 1.0 1.8 4.48 640 640 A 71 THR H A 70 TRP HBx 1.0 1.8 5.11 641 641 A 72 ASP H A 72 ASP HBx 1.0 1.8 3.77 642 642 A 69 LEU H A 72 ASP H 1.0 1.8 3.66 643 643 A 75 PRO HA A 76 ALA H 1.0 1.8 3.34 644 644 A 76 ALA H A 75 PRO HBx 1.0 1.8 4.67 645 645 A 78 VAL H A 77 SER HBx 1.0 1.8 5.29 646 646 A 78 VAL H A 77 SER HBy 1.0 1.8 5.29 647 647 A 78 VAL H A 78 VAL HB 1.0 1.8 3.71 648 648 A 77 SER H A 78 VAL H 1.0 1.8 4.91 649 649 A 79 ARG H A 78 VAL H 1.0 1.8 4.00 650 650 A 79 ARG H A 80 GLU H 1.0 1.8 4.44 651 651 A 79 ARG H A 78 VAL HB 1.0 1.8 4.18 652 652 A 79 ARG H A 79 ARG HBy 1.0 1.8 4.05 653 653 A 80 GLU H A 79 ARG HBy 1.0 1.8 4.60 654 654 A 83 ASN H A 82 LEU HDx% 1.0 1.8 5.55 655 655 A 83 ASN H A 82 LEU HDy% 1.0 1.8 5.55 656 656 A 88 PRO HA A 89 GLY H 1.0 1.8 3.57 657 657 A 90 ILE H A 90 ILE HG1y 1.0 1.8 4.27 658 658 A 91 ASP H A 91 ASP HBy 1.0 1.8 3.90 659 659 A 91 ASP H A 91 ASP HBx 1.0 1.8 3.90 660 660 A 90 ILE HA A 91 ASP H 1.0 1.8 2.96 661 661 A 91 ASP H A 90 ILE H 1.0 1.8 4.73 662 662 A 92 TYR HA A 93 ALA H 1.0 1.8 3.11 663 663 A 93 ALA H A 92 TYR HBy 1.0 1.8 4.62 664 664 A 93 ALA H A 92 TYR HBx 1.0 1.8 4.62 665 665 A 93 ALA H A 93 ALA HB% 1.0 1.8 3.12 666 666 A 94 VAL H A 93 ALA HA 1.0 1.8 3.06 667 667 A 94 VAL H A 74 VAL HB 1.0 1.8 4.20 668 668 A 94 VAL H A 93 ALA HB% 1.0 1.8 3.87 669 669 A 95 ARG H A 93 ALA HB% 1.0 1.8 5.48 670 670 A 92 TYR H A 92 TYR HBy 1.0 1.8 4.02 671 671 A 92 TYR H A 92 TYR HBx 1.0 1.8 4.02 672 672 A 92 TYR H A 91 ASP HA 1.0 1.8 3.17 673 673 A 92 TYR HDx A 92 TYR H 1.0 1.8 5.55 674 674 A 92 TYR HDy A 92 TYR H 1.0 1.8 5.55 675 675 A 74 VAL HB A 74 VAL H 1.0 1.8 4.16 676 676 A 33 ASN HA A 33 ASN HD2x 1.0 1.8 5.18 677 677 A 33 ASN HA A 33 ASN HD2y 1.0 1.8 5.18 678 678 A 46 LEU HA A 40 TRP HE1 1.0 1.8 4.08 679 679 A 47 PRO HDx A 40 TRP HE1 1.0 1.8 5.55 680 680 A 40 TRP HE1 A 46 LEU HDy% 1.0 1.8 5.08 681 681 A 49 GLY HAx A 50 TRP HE1 1.0 1.8 5.55 682 682 A 50 TRP HBy A 50 TRP HE1 1.0 1.8 5.09 683 683 A 47 PRO HBy A 50 TRP HE1 1.0 1.8 4.88 684 684 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.05 685 684 A 12 LEU H A 12 LEU HBx 1.0 1.8 3.05 686 685 A 12 LEU H A 12 LEU HDy% 1.0 1.8 4.58 687 685 A 12 LEU H A 12 LEU HDx% 1.0 1.8 4.58 688 686 A 12 LEU HA A 12 LEU HDy% 1.0 1.8 3.64 689 686 A 12 LEU HA A 12 LEU HDx% 1.0 1.8 3.64 690 687 A 12 LEU HBx A 12 LEU HDy% 1.0 1.8 2.49 691 687 A 12 LEU HDx% A 12 LEU HBy 1.0 1.8 2.49 692 687 A 12 LEU HBx A 12 LEU HDx% 1.0 1.8 2.49 693 687 A 12 LEU HBy A 12 LEU HDy% 1.0 1.8 2.49 694 688 A 13 GLU H A 12 LEU HBy 1.0 1.8 4.06 695 688 A 13 GLU H A 12 LEU HBx 1.0 1.8 4.06 696 689 A 53 VAL HA A 12 LEU HDy% 1.0 1.8 3.59 697 689 A 53 VAL HA A 12 LEU HDx% 1.0 1.8 3.59 698 690 A 54 GLY H A 12 LEU HDy% 1.0 1.8 3.57 699 690 A 54 GLY H A 12 LEU HDx% 1.0 1.8 3.57 700 691 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.15 701 691 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.15 702 692 A 55 GLU H A 13 GLU HGx 1.0 1.8 3.76 703 692 A 55 GLU H A 13 GLU HGy 1.0 1.8 3.76 704 693 A 13 GLU HGy A 55 GLU HBx 1.0 1.8 3.68 705 693 A 13 GLU HGx A 55 GLU HBx 1.0 1.8 3.68 706 693 A 55 GLU HBy A 13 GLU HGx 1.0 1.8 3.68 707 693 A 13 GLU HGy A 55 GLU HBy 1.0 1.8 3.68 708 694 A 14 ALA HA A 15 GLN HBx 1.0 1.8 5.27 709 694 A 14 ALA HA A 15 GLN HBy 1.0 1.8 5.27 710 695 A 15 GLN HA A 15 GLN HGx 1.0 1.8 3.57 711 695 A 15 GLN HA A 15 GLN HGy 1.0 1.8 3.57 712 696 A 16 THR H A 15 GLN HBx 1.0 1.8 4.41 713 696 A 16 THR H A 15 GLN HBy 1.0 1.8 4.41 714 697 A 16 THR HA A 15 GLN HBx 1.0 1.8 5.17 715 697 A 16 THR HA A 15 GLN HBy 1.0 1.8 5.17 716 698 A 17 GLN H A 15 GLN HBx 1.0 1.8 4.37 717 698 A 17 GLN H A 15 GLN HBy 1.0 1.8 4.37 718 699 A 21 SER H A 21 SER HBy 1.0 1.8 3.68 719 699 A 21 SER H A 21 SER HBx 1.0 1.8 3.68 720 700 A 22 MET H A 21 SER HBy 1.0 1.8 4.52 721 700 A 22 MET H A 21 SER HBx 1.0 1.8 4.52 722 701 A 22 MET H A 22 MET HBx 1.0 1.8 3.61 723 701 A 22 MET H A 22 MET HBy 1.0 1.8 3.61 724 702 A 23 ASP H A 22 MET HBx 1.0 1.8 3.90 725 702 A 23 ASP H A 22 MET HBy 1.0 1.8 3.90 726 703 A 23 ASP H A 23 ASP HBy 1.0 1.8 3.35 727 703 A 23 ASP H A 23 ASP HBx 1.0 1.8 3.35 728 704 A 23 ASP HA A 24 ASP HBy 1.0 1.8 5.07 729 704 A 23 ASP HA A 24 ASP HBx 1.0 1.8 5.07 730 705 A 24 ASP H A 23 ASP HBy 1.0 1.8 3.85 731 705 A 24 ASP H A 23 ASP HBx 1.0 1.8 3.85 732 706 A 24 ASP H A 24 ASP HBy 1.0 1.8 2.90 733 706 A 24 ASP H A 24 ASP HBx 1.0 1.8 2.90 734 707 A 25 GLU H A 24 ASP HBy 1.0 1.8 3.73 735 707 A 25 GLU H A 24 ASP HBx 1.0 1.8 3.73 736 708 A 25 GLU H A 25 GLU HBy 1.0 1.8 3.62 737 708 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.62 738 709 A 25 GLU HA A 26 LEU HDy% 1.0 1.8 4.44 739 709 A 25 GLU HA A 26 LEU HDx% 1.0 1.8 4.44 740 710 A 27 TYR HDx A 25 GLU HBy 1.0 1.8 4.76 741 710 A 27 TYR HDx A 25 GLU HBx 1.0 1.8 4.76 742 711 A 27 TYR HEx A 25 GLU HBy 1.0 1.8 4.24 743 711 A 27 TYR HEx A 25 GLU HBx 1.0 1.8 4.24 744 712 A 26 LEU H A 25 GLU HGy 1.0 1.8 4.91 745 712 A 26 LEU H A 25 GLU HGx 1.0 1.8 4.91 746 713 A 26 LEU H A 26 LEU HDy% 1.0 1.8 3.61 747 713 A 26 LEU H A 26 LEU HDx% 1.0 1.8 3.61 748 714 A 26 LEU H A 42 ASP HBy 1.0 1.8 4.35 749 714 A 26 LEU H A 42 ASP HBx 1.0 1.8 4.35 750 715 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 3.41 751 715 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 3.41 752 716 A 26 LEU HBx A 26 LEU HDy% 1.0 1.8 3.01 753 716 A 26 LEU HBx A 26 LEU HDx% 1.0 1.8 3.01 754 717 A 26 LEU HBx A 42 ASP HBy 1.0 1.8 4.46 755 717 A 26 LEU HBx A 42 ASP HBx 1.0 1.8 4.46 756 718 A 26 LEU HBx A 56 PRO HGx 1.0 1.8 5.40 757 718 A 26 LEU HBx A 56 PRO HGy 1.0 1.8 5.40 758 719 A 27 TYR H A 26 LEU HDy% 1.0 1.8 4.32 759 719 A 27 TYR H A 26 LEU HDx% 1.0 1.8 4.32 760 720 A 56 PRO HBy A 26 LEU HDy% 1.0 1.8 3.12 761 720 A 56 PRO HBy A 26 LEU HDx% 1.0 1.8 3.12 762 721 A 57 ALA H A 26 LEU HDy% 1.0 1.8 4.03 763 721 A 57 ALA H A 26 LEU HDx% 1.0 1.8 4.03 764 722 A 58 THR H A 26 LEU HDy% 1.0 1.8 4.87 765 722 A 58 THR H A 26 LEU HDx% 1.0 1.8 4.87 766 723 A 27 TYR H A 62 CYS HBx 1.0 1.8 4.74 767 723 A 27 TYR H A 62 CYS HBy 1.0 1.8 4.74 768 724 A 27 TYR HBy A 62 CYS HBx 1.0 1.8 4.69 769 724 A 27 TYR HBy A 62 CYS HBy 1.0 1.8 4.69 770 725 A 27 TYR HBx A 62 CYS HBx 1.0 1.8 4.69 771 725 A 27 TYR HBx A 62 CYS HBy 1.0 1.8 4.69 772 726 A 27 TYR HEx A 41 MET HGx 1.0 1.8 4.47 773 726 A 27 TYR HEx A 41 MET HGy 1.0 1.8 4.47 774 727 A 27 TYR HEy A 41 MET HBx 1.0 1.8 4.54 775 727 A 27 TYR HEy A 41 MET HBy 1.0 1.8 4.54 776 728 A 27 TYR HEy A 41 MET HGx 1.0 1.8 5.39 777 728 A 27 TYR HEy A 41 MET HGy 1.0 1.8 5.39 778 729 A 27 TYR HEy A 59 LYS HDx 1.0 1.8 4.42 779 729 A 27 TYR HEy A 59 LYS HDy 1.0 1.8 4.42 780 730 A 28 PHE H A 40 TRP HBx 1.0 1.8 4.90 781 730 A 28 PHE H A 40 TRP HBy 1.0 1.8 4.90 782 731 A 28 PHE HBx A 29 VAL HGy% 1.0 1.8 5.49 783 731 A 28 PHE HBx A 29 VAL HGx% 1.0 1.8 5.49 784 732 A 28 PHE HEx A 56 PRO HGx 1.0 1.8 4.67 785 732 A 28 PHE HEx A 56 PRO HGy 1.0 1.8 4.67 786 733 A 28 PHE HZ A 56 PRO HGx 1.0 1.8 4.15 787 733 A 28 PHE HZ A 56 PRO HGy 1.0 1.8 4.15 788 734 A 28 PHE HEy A 56 PRO HGx 1.0 1.8 4.83 789 734 A 28 PHE HEy A 56 PRO HGy 1.0 1.8 4.83 790 735 A 29 VAL H A 29 VAL HGy% 1.0 1.8 3.21 791 735 A 29 VAL H A 29 VAL HGx% 1.0 1.8 3.21 792 736 A 29 VAL HB A 65 ARG HDx 1.0 1.8 5.27 793 736 A 29 VAL HB A 65 ARG HDy 1.0 1.8 5.27 794 737 A 30 VAL H A 29 VAL HGy% 1.0 1.8 3.38 795 737 A 30 VAL H A 29 VAL HGx% 1.0 1.8 3.38 796 738 A 30 VAL HA A 29 VAL HGy% 1.0 1.8 4.85 797 738 A 30 VAL HA A 29 VAL HGx% 1.0 1.8 4.85 798 739 A 37 TYR HBy A 29 VAL HGy% 1.0 1.8 5.05 799 739 A 37 TYR HBy A 29 VAL HGx% 1.0 1.8 5.05 800 740 A 37 TYR HBx A 29 VAL HGy% 1.0 1.8 3.99 801 740 A 37 TYR HBx A 29 VAL HGx% 1.0 1.8 3.99 802 741 A 37 TYR HEy A 29 VAL HGy% 1.0 1.8 3.77 803 741 A 37 TYR HEy A 29 VAL HGx% 1.0 1.8 3.77 804 742 A 37 TYR HDy A 29 VAL HGy% 1.0 1.8 3.32 805 742 A 37 TYR HDy A 29 VAL HGx% 1.0 1.8 3.32 806 743 A 38 SER H A 29 VAL HGy% 1.0 1.8 4.19 807 743 A 38 SER H A 29 VAL HGx% 1.0 1.8 4.19 808 744 A 29 VAL HGx% A 38 SER HBx 1.0 1.8 5.33 809 744 A 29 VAL HGy% A 38 SER HBx 1.0 1.8 5.33 810 744 A 38 SER HBy A 29 VAL HGy% 1.0 1.8 5.33 811 744 A 29 VAL HGx% A 38 SER HBy 1.0 1.8 5.33 812 745 A 39 VAL HA A 29 VAL HGy% 1.0 1.8 4.80 813 745 A 39 VAL HA A 29 VAL HGx% 1.0 1.8 4.80 814 746 A 40 TRP H A 29 VAL HGy% 1.0 1.8 5.14 815 746 A 40 TRP H A 29 VAL HGx% 1.0 1.8 5.14 816 747 A 53 VAL H A 29 VAL HGy% 1.0 1.8 4.34 817 747 A 53 VAL H A 29 VAL HGx% 1.0 1.8 4.34 818 748 A 53 VAL HB A 29 VAL HGy% 1.0 1.8 3.40 819 748 A 53 VAL HB A 29 VAL HGx% 1.0 1.8 3.40 820 749 A 62 CYS HA A 29 VAL HGy% 1.0 1.8 3.40 821 749 A 62 CYS HA A 29 VAL HGx% 1.0 1.8 3.40 822 750 A 29 VAL HGy% A 62 CYS HBx 1.0 1.8 3.93 823 750 A 29 VAL HGx% A 62 CYS HBx 1.0 1.8 3.93 824 750 A 62 CYS HBy A 29 VAL HGy% 1.0 1.8 3.93 825 750 A 62 CYS HBy A 29 VAL HGx% 1.0 1.8 3.93 826 751 A 63 LEU H A 29 VAL HGy% 1.0 1.8 5.39 827 751 A 63 LEU H A 29 VAL HGx% 1.0 1.8 5.39 828 752 A 65 ARG HBy A 29 VAL HGy% 1.0 1.8 4.67 829 752 A 65 ARG HBy A 29 VAL HGx% 1.0 1.8 4.67 830 753 A 65 ARG HBx A 29 VAL HGy% 1.0 1.8 3.65 831 753 A 65 ARG HBx A 29 VAL HGx% 1.0 1.8 3.65 832 754 A 29 VAL HGx% A 65 ARG HGx 1.0 1.8 3.43 833 754 A 29 VAL HGy% A 65 ARG HGx 1.0 1.8 3.43 834 754 A 65 ARG HGy A 29 VAL HGy% 1.0 1.8 3.43 835 754 A 29 VAL HGx% A 65 ARG HGy 1.0 1.8 3.43 836 755 A 29 VAL HGx% A 65 ARG HDx 1.0 1.8 3.32 837 755 A 29 VAL HGy% A 65 ARG HDx 1.0 1.8 3.32 838 755 A 65 ARG HDy A 29 VAL HGy% 1.0 1.8 3.32 839 755 A 29 VAL HGx% A 65 ARG HDy 1.0 1.8 3.32 840 756 A 66 ILE HA A 29 VAL HGy% 1.0 1.8 5.37 841 756 A 66 ILE HA A 29 VAL HGx% 1.0 1.8 5.37 842 757 A 66 ILE HG1y A 29 VAL HGy% 1.0 1.8 4.28 843 757 A 66 ILE HG1y A 29 VAL HGx% 1.0 1.8 4.28 844 758 A 66 ILE HG1x A 29 VAL HGy% 1.0 1.8 4.88 845 758 A 66 ILE HG1x A 29 VAL HGx% 1.0 1.8 4.88 846 759 A 67 GLU H A 29 VAL HGy% 1.0 1.8 5.49 847 759 A 67 GLU H A 29 VAL HGx% 1.0 1.8 5.49 848 760 A 30 VAL HA A 46 LEU HDy% 1.0 1.8 4.69 849 760 A 30 VAL HA A 46 LEU HDx% 1.0 1.8 4.69 850 761 A 30 VAL HB A 46 LEU HDy% 1.0 1.8 4.73 851 761 A 30 VAL HB A 46 LEU HDx% 1.0 1.8 4.73 852 762 A 30 VAL HGx% A 40 TRP HBx 1.0 1.8 3.18 853 762 A 30 VAL HGx% A 40 TRP HBy 1.0 1.8 3.18 854 763 A 30 VAL HGx% A 46 LEU HDy% 1.0 1.8 2.77 855 763 A 30 VAL HGx% A 46 LEU HDx% 1.0 1.8 2.77 856 764 A 30 VAL HGy% A 38 SER HBx 1.0 1.8 3.45 857 764 A 30 VAL HGy% A 38 SER HBy 1.0 1.8 3.45 858 765 A 30 VAL HGy% A 40 TRP HBx 1.0 1.8 3.17 859 765 A 30 VAL HGy% A 40 TRP HBy 1.0 1.8 3.17 860 766 A 31 ARG H A 46 LEU HDy% 1.0 1.8 4.71 861 766 A 31 ARG H A 46 LEU HDx% 1.0 1.8 4.71 862 767 A 31 ARG H A 51 GLU HGy 1.0 1.8 4.33 863 767 A 31 ARG H A 51 GLU HGx 1.0 1.8 4.33 864 768 A 31 ARG HBy A 31 ARG HDy 1.0 1.8 3.36 865 768 A 31 ARG HBy A 31 ARG HDx 1.0 1.8 3.36 866 769 A 35 GLY H A 31 ARG HDy 1.0 1.8 5.03 867 769 A 35 GLY H A 31 ARG HDx 1.0 1.8 5.03 868 770 A 37 TYR HEy A 31 ARG HDy 1.0 1.8 4.03 869 770 A 37 TYR HEy A 31 ARG HDx 1.0 1.8 4.03 870 771 A 32 ASN HBy A 33 ASN HBy 1.0 1.8 4.51 871 771 A 32 ASN HBy A 33 ASN HBx 1.0 1.8 4.51 872 772 A 32 ASN HD2y A 34 GLU HBx 1.0 1.8 4.39 873 772 A 34 GLU HBx A 32 ASN HD2x 1.0 1.8 4.39 874 773 A 34 GLU HGy A 32 ASN HD2y 1.0 1.8 5.20 875 773 A 34 GLU HGy A 32 ASN HD2x 1.0 1.8 5.20 876 774 A 33 ASN HA A 33 ASN HD2y 1.0 1.8 4.54 877 774 A 33 ASN HA A 33 ASN HD2x 1.0 1.8 4.54 878 775 A 33 ASN HD2y A 33 ASN HBy 1.0 1.8 3.23 879 775 A 33 ASN HD2x A 33 ASN HBx 1.0 1.8 3.23 880 775 A 33 ASN HD2y A 33 ASN HBx 1.0 1.8 3.23 881 775 A 33 ASN HD2x A 33 ASN HBy 1.0 1.8 3.23 882 776 A 34 GLU H A 33 ASN HBy 1.0 1.8 4.08 883 776 A 34 GLU H A 33 ASN HBx 1.0 1.8 4.08 884 777 A 36 GLN H A 36 GLN HBy 1.0 1.8 3.24 885 777 A 36 GLN H A 36 GLN HBx 1.0 1.8 3.24 886 778 A 37 TYR HDx A 69 LEU HDy% 1.0 1.8 4.65 887 778 A 37 TYR HDx A 69 LEU HDx% 1.0 1.8 4.65 888 779 A 37 TYR HEx A 69 LEU HDy% 1.0 1.8 4.44 889 779 A 69 LEU HDx% A 37 TYR HEx 1.0 1.8 4.44 890 780 A 39 VAL H A 38 SER HBx 1.0 1.8 4.26 891 780 A 39 VAL H A 38 SER HBy 1.0 1.8 4.26 892 781 A 39 VAL HGy% A 38 SER HBx 1.0 1.8 4.46 893 781 A 39 VAL HGy% A 38 SER HBy 1.0 1.8 4.46 894 782 A 66 ILE HD1% A 38 SER HBx 1.0 1.8 5.39 895 782 A 66 ILE HD1% A 38 SER HBy 1.0 1.8 5.39 896 783 A 39 VAL HA A 40 TRP HBx 1.0 1.8 4.94 897 783 A 39 VAL HA A 40 TRP HBy 1.0 1.8 4.94 898 784 A 39 VAL HB A 62 CYS HBx 1.0 1.8 4.63 899 784 A 39 VAL HB A 62 CYS HBy 1.0 1.8 4.63 900 785 A 39 VAL HGx% A 62 CYS HBx 1.0 1.8 3.10 901 785 A 39 VAL HGx% A 62 CYS HBy 1.0 1.8 3.10 902 786 A 39 VAL HGy% A 59 LYS HDx 1.0 1.8 4.26 903 786 A 39 VAL HGy% A 59 LYS HDy 1.0 1.8 4.26 904 787 A 39 VAL HGy% A 62 CYS HBx 1.0 1.8 4.57 905 787 A 39 VAL HGy% A 62 CYS HBy 1.0 1.8 4.57 906 788 A 40 TRP H A 40 TRP HBx 1.0 1.8 3.56 907 788 A 40 TRP H A 40 TRP HBy 1.0 1.8 3.56 908 789 A 40 TRP HBx A 46 LEU HDy% 1.0 1.8 3.83 909 789 A 40 TRP HBy A 46 LEU HDy% 1.0 1.8 3.83 910 789 A 46 LEU HDx% A 40 TRP HBx 1.0 1.8 3.83 911 789 A 40 TRP HBy A 46 LEU HDx% 1.0 1.8 3.83 912 790 A 50 TRP HE3 A 40 TRP HBx 1.0 1.8 5.10 913 790 A 50 TRP HE3 A 40 TRP HBy 1.0 1.8 5.10 914 791 A 52 THR HG2% A 40 TRP HBx 1.0 1.8 4.57 915 791 A 52 THR HG2% A 40 TRP HBy 1.0 1.8 4.57 916 792 A 40 TRP HD1 A 46 LEU HDy% 1.0 1.8 3.77 917 792 A 40 TRP HD1 A 46 LEU HDx% 1.0 1.8 3.77 918 793 A 40 TRP HE1 A 44 ARG HBx 1.0 1.8 3.66 919 793 A 40 TRP HE1 A 44 ARG HBy 1.0 1.8 3.66 920 794 A 40 TRP HE1 A 44 ARG HGy 1.0 1.8 4.39 921 794 A 40 TRP HE1 A 44 ARG HGx 1.0 1.8 4.39 922 795 A 40 TRP HE1 A 46 LEU HDy% 1.0 1.8 3.99 923 795 A 40 TRP HE1 A 46 LEU HDx% 1.0 1.8 3.99 924 796 A 40 TRP HZ2 A 44 ARG HBx 1.0 1.8 4.52 925 796 A 40 TRP HZ2 A 44 ARG HBy 1.0 1.8 4.52 926 797 A 40 TRP HZ2 A 44 ARG HGy 1.0 1.8 4.30 927 797 A 40 TRP HZ2 A 44 ARG HGx 1.0 1.8 4.30 928 798 A 40 TRP HZ2 A 44 ARG HDx 1.0 1.8 4.38 929 798 A 40 TRP HZ2 A 44 ARG HDy 1.0 1.8 4.38 930 799 A 40 TRP HZ2 A 46 LEU HDy% 1.0 1.8 4.33 931 799 A 40 TRP HZ2 A 46 LEU HDx% 1.0 1.8 4.33 932 800 A 40 TRP HH2 A 44 ARG HGy 1.0 1.8 5.39 933 800 A 44 ARG HGx A 40 TRP HH2 1.0 1.8 5.39 934 801 A 41 MET H A 41 MET HGx 1.0 1.8 4.18 935 801 A 41 MET H A 41 MET HGy 1.0 1.8 4.18 936 802 A 41 MET H A 44 ARG HDx 1.0 1.8 4.71 937 802 A 41 MET H A 44 ARG HDy 1.0 1.8 4.71 938 803 A 41 MET HA A 41 MET HGx 1.0 1.8 3.49 939 803 A 41 MET HA A 41 MET HGy 1.0 1.8 3.49 940 804 A 41 MET HBx A 44 ARG HDx 1.0 1.8 4.12 941 804 A 41 MET HBy A 44 ARG HDx 1.0 1.8 4.12 942 804 A 44 ARG HDy A 41 MET HBx 1.0 1.8 4.12 943 804 A 41 MET HBy A 44 ARG HDy 1.0 1.8 4.12 944 805 A 42 ASP H A 41 MET HGx 1.0 1.8 3.31 945 805 A 42 ASP H A 41 MET HGy 1.0 1.8 3.31 946 806 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.41 947 806 A 42 ASP H A 42 ASP HBx 1.0 1.8 3.41 948 807 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.46 949 807 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.46 950 808 A 44 ARG H A 44 ARG HGy 1.0 1.8 4.74 951 808 A 44 ARG H A 44 ARG HGx 1.0 1.8 4.74 952 809 A 44 ARG HBx A 44 ARG HDx 1.0 1.8 3.18 953 809 A 44 ARG HBy A 44 ARG HDx 1.0 1.8 3.18 954 809 A 44 ARG HDy A 44 ARG HBx 1.0 1.8 3.18 955 809 A 44 ARG HBy A 44 ARG HDy 1.0 1.8 3.18 956 810 A 46 LEU H A 45 SER HBx 1.0 1.8 4.25 957 810 A 46 LEU H A 45 SER HBy 1.0 1.8 4.25 958 811 A 46 LEU HBy A 45 SER HBx 1.0 1.8 5.39 959 811 A 46 LEU HBy A 45 SER HBy 1.0 1.8 5.39 960 812 A 46 LEU H A 46 LEU HDy% 1.0 1.8 4.12 961 812 A 46 LEU H A 46 LEU HDx% 1.0 1.8 4.12 962 813 A 46 LEU HA A 46 LEU HDy% 1.0 1.8 3.35 963 813 A 46 LEU HA A 46 LEU HDx% 1.0 1.8 3.35 964 814 A 46 LEU HA A 47 PRO HGy 1.0 1.8 4.49 965 814 A 46 LEU HA A 47 PRO HGx 1.0 1.8 4.49 966 815 A 46 LEU HBy A 46 LEU HDy% 1.0 1.8 2.59 967 815 A 46 LEU HBy A 46 LEU HDx% 1.0 1.8 2.59 968 816 A 47 PRO HDy A 46 LEU HDy% 1.0 1.8 3.36 969 816 A 47 PRO HDy A 46 LEU HDx% 1.0 1.8 3.36 970 817 A 47 PRO HDx A 46 LEU HDy% 1.0 1.8 5.41 971 817 A 47 PRO HDx A 46 LEU HDx% 1.0 1.8 5.41 972 818 A 50 TRP H A 46 LEU HDy% 1.0 1.8 5.49 973 818 A 50 TRP H A 46 LEU HDx% 1.0 1.8 5.49 974 819 A 50 TRP HBy A 46 LEU HDy% 1.0 1.8 3.45 975 819 A 50 TRP HBy A 46 LEU HDx% 1.0 1.8 3.45 976 820 A 50 TRP HBx A 46 LEU HDy% 1.0 1.8 3.22 977 820 A 50 TRP HBx A 46 LEU HDx% 1.0 1.8 3.22 978 821 A 50 TRP HD1 A 46 LEU HDy% 1.0 1.8 5.49 979 821 A 50 TRP HD1 A 46 LEU HDx% 1.0 1.8 5.49 980 822 A 50 TRP HH2 A 46 LEU HDy% 1.0 1.8 5.49 981 822 A 46 LEU HDx% A 50 TRP HH2 1.0 1.8 5.49 982 823 A 51 GLU H A 46 LEU HDy% 1.0 1.8 4.04 983 823 A 51 GLU H A 46 LEU HDx% 1.0 1.8 4.04 984 824 A 52 THR H A 46 LEU HDy% 1.0 1.8 4.15 985 824 A 52 THR H A 46 LEU HDx% 1.0 1.8 4.15 986 825 A 48 ALA H A 47 PRO HGy 1.0 1.8 4.76 987 825 A 48 ALA H A 47 PRO HGx 1.0 1.8 4.76 988 826 A 50 TRP HD1 A 47 PRO HGy 1.0 1.8 4.46 989 826 A 50 TRP HD1 A 47 PRO HGx 1.0 1.8 4.46 990 827 A 50 TRP HE1 A 47 PRO HGy 1.0 1.8 4.96 991 827 A 50 TRP HE1 A 47 PRO HGx 1.0 1.8 4.96 992 828 A 51 GLU H A 51 GLU HGy 1.0 1.8 3.67 993 828 A 51 GLU H A 51 GLU HGx 1.0 1.8 3.67 994 829 A 53 VAL HGy% A 51 GLU HGy 1.0 1.8 4.38 995 829 A 53 VAL HGy% A 51 GLU HGx 1.0 1.8 4.38 996 830 A 55 GLU H A 54 GLY HAx 1.0 1.8 2.70 997 830 A 55 GLU H A 54 GLY HAy 1.0 1.8 2.70 998 831 A 55 GLU H A 55 GLU HBx 1.0 1.8 2.93 999 831 A 55 GLU H A 55 GLU HBy 1.0 1.8 2.93 1000 832 A 56 PRO HDy A 55 GLU HBx 1.0 1.8 3.87 1001 832 A 56 PRO HDy A 55 GLU HBy 1.0 1.8 3.87 1002 833 A 57 ALA H A 62 CYS HBx 1.0 1.8 4.71 1003 833 A 57 ALA H A 62 CYS HBy 1.0 1.8 4.71 1004 834 A 57 ALA HB% A 61 GLN HBx 1.0 1.8 3.01 1005 834 A 57 ALA HB% A 61 GLN HBy 1.0 1.8 3.01 1006 835 A 57 ALA HB% A 61 GLN HGx 1.0 1.8 4.28 1007 835 A 57 ALA HB% A 61 GLN HGy 1.0 1.8 4.28 1008 836 A 58 THR H A 61 GLN HBx 1.0 1.8 3.24 1009 836 A 58 THR H A 61 GLN HBy 1.0 1.8 3.24 1010 837 A 58 THR H A 61 GLN HGx 1.0 1.8 4.83 1011 837 A 58 THR H A 61 GLN HGy 1.0 1.8 4.83 1012 838 A 58 THR HG2% A 60 GLN HE2x 1.0 1.8 4.15 1013 838 A 58 THR HG2% A 60 GLN HE2y 1.0 1.8 4.15 1014 839 A 58 THR HG2% A 61 GLN HGx 1.0 1.8 3.56 1015 839 A 58 THR HG2% A 61 GLN HGy 1.0 1.8 3.56 1016 840 A 58 THR HG2% A 61 GLN HE2x 1.0 1.8 5.39 1017 840 A 58 THR HG2% A 61 GLN HE2y 1.0 1.8 5.39 1018 841 A 59 LYS H A 59 LYS HDx 1.0 1.8 4.42 1019 841 A 59 LYS H A 59 LYS HDy 1.0 1.8 4.42 1020 842 A 59 LYS HA A 59 LYS HGx 1.0 1.8 3.58 1021 842 A 59 LYS HA A 59 LYS HGy 1.0 1.8 3.58 1022 843 A 59 LYS HA A 62 CYS HBx 1.0 1.8 3.95 1023 843 A 59 LYS HA A 62 CYS HBy 1.0 1.8 3.95 1024 844 A 59 LYS HBx A 59 LYS HDx 1.0 1.8 3.63 1025 844 A 59 LYS HBx A 59 LYS HDy 1.0 1.8 3.63 1026 845 A 60 GLN H A 59 LYS HGx 1.0 1.8 4.63 1027 845 A 60 GLN H A 59 LYS HGy 1.0 1.8 4.63 1028 846 A 60 GLN HA A 59 LYS HGx 1.0 1.8 4.71 1029 846 A 60 GLN HA A 59 LYS HGy 1.0 1.8 4.71 1030 847 A 60 GLN H A 59 LYS HDx 1.0 1.8 4.88 1031 847 A 60 GLN H A 59 LYS HDy 1.0 1.8 4.88 1032 848 A 63 LEU HDy% A 59 LYS HDx 1.0 1.8 4.47 1033 848 A 63 LEU HDy% A 59 LYS HDy 1.0 1.8 4.47 1034 849 A 60 GLN H A 60 GLN HBx 1.0 1.8 2.91 1035 849 A 60 GLN H A 60 GLN HBy 1.0 1.8 2.91 1036 850 A 60 GLN H A 60 GLN HGx 1.0 1.8 4.10 1037 850 A 60 GLN H A 60 GLN HGy 1.0 1.8 4.10 1038 851 A 60 GLN HA A 60 GLN HGx 1.0 1.8 3.14 1039 851 A 60 GLN HA A 60 GLN HGy 1.0 1.8 3.14 1040 852 A 60 GLN HBy A 60 GLN HE2x 1.0 1.8 4.39 1041 852 A 60 GLN HBx A 60 GLN HE2x 1.0 1.8 4.39 1042 852 A 60 GLN HE2y A 60 GLN HBx 1.0 1.8 4.39 1043 852 A 60 GLN HE2y A 60 GLN HBy 1.0 1.8 4.39 1044 853 A 61 GLN H A 60 GLN HBx 1.0 1.8 3.40 1045 853 A 61 GLN H A 60 GLN HBy 1.0 1.8 3.40 1046 854 A 61 GLN HA A 60 GLN HBx 1.0 1.8 4.52 1047 854 A 61 GLN HA A 60 GLN HBy 1.0 1.8 4.52 1048 855 A 63 LEU HDx% A 60 GLN HBx 1.0 1.8 5.39 1049 855 A 63 LEU HDx% A 60 GLN HBy 1.0 1.8 5.39 1050 856 A 63 LEU HDy% A 60 GLN HBx 1.0 1.8 4.40 1051 856 A 63 LEU HDy% A 60 GLN HBy 1.0 1.8 4.40 1052 857 A 63 LEU HG A 60 GLN HGx 1.0 1.8 4.71 1053 857 A 63 LEU HG A 60 GLN HGy 1.0 1.8 4.71 1054 858 A 63 LEU HDy% A 60 GLN HGx 1.0 1.8 4.02 1055 858 A 63 LEU HDy% A 60 GLN HGy 1.0 1.8 4.02 1056 859 A 61 GLN H A 61 GLN HBx 1.0 1.8 3.46 1057 859 A 61 GLN H A 61 GLN HBy 1.0 1.8 3.46 1058 860 A 61 GLN H A 61 GLN HGx 1.0 1.8 3.16 1059 860 A 61 GLN H A 61 GLN HGy 1.0 1.8 3.16 1060 861 A 61 GLN HA A 61 GLN HGx 1.0 1.8 3.65 1061 861 A 61 GLN HA A 61 GLN HGy 1.0 1.8 3.65 1062 862 A 62 CYS H A 61 GLN HBx 1.0 1.8 3.68 1063 862 A 62 CYS H A 61 GLN HBy 1.0 1.8 3.68 1064 863 A 62 CYS H A 61 GLN HGx 1.0 1.8 4.81 1065 863 A 62 CYS H A 61 GLN HGy 1.0 1.8 4.81 1066 864 A 61 GLN HGx A 64 GLN HE2x 1.0 1.8 4.77 1067 864 A 61 GLN HGy A 64 GLN HE2x 1.0 1.8 4.77 1068 864 A 64 GLN HE2y A 61 GLN HGx 1.0 1.8 4.77 1069 864 A 61 GLN HGy A 64 GLN HE2y 1.0 1.8 4.77 1070 865 A 62 CYS H A 62 CYS HBx 1.0 1.8 3.03 1071 865 A 62 CYS H A 62 CYS HBy 1.0 1.8 3.03 1072 866 A 62 CYS HA A 65 ARG HDx 1.0 1.8 3.97 1073 866 A 62 CYS HA A 65 ARG HDy 1.0 1.8 3.97 1074 867 A 63 LEU H A 62 CYS HBx 1.0 1.8 3.52 1075 867 A 63 LEU H A 62 CYS HBy 1.0 1.8 3.52 1076 868 A 63 LEU H A 64 GLN HBx 1.0 1.8 4.69 1077 868 A 63 LEU H A 64 GLN HBy 1.0 1.8 4.69 1078 869 A 63 LEU HBy A 95 ARG HBy 1.0 1.8 3.90 1079 869 A 63 LEU HBy A 95 ARG HBx 1.0 1.8 3.90 1080 870 A 63 LEU HDx% A 64 GLN HBx 1.0 1.8 3.85 1081 870 A 63 LEU HDx% A 64 GLN HBy 1.0 1.8 3.85 1082 871 A 63 LEU HDx% A 67 GLU HGy 1.0 1.8 4.19 1083 871 A 63 LEU HDx% A 67 GLU HGx 1.0 1.8 4.19 1084 872 A 63 LEU HDx% A 95 ARG HBy 1.0 1.8 2.87 1085 872 A 63 LEU HDx% A 95 ARG HBx 1.0 1.8 2.87 1086 873 A 63 LEU HDx% A 95 ARG HDy 1.0 1.8 4.62 1087 873 A 63 LEU HDx% A 95 ARG HDx 1.0 1.8 4.62 1088 874 A 64 GLN H A 64 GLN HBx 1.0 1.8 2.82 1089 874 A 64 GLN H A 64 GLN HBy 1.0 1.8 2.82 1090 875 A 64 GLN HA A 68 GLN HGy 1.0 1.8 4.02 1091 875 A 64 GLN HA A 68 GLN HGx 1.0 1.8 4.02 1092 876 A 64 GLN HBx A 64 GLN HE2x 1.0 1.8 3.52 1093 876 A 64 GLN HBy A 64 GLN HE2x 1.0 1.8 3.52 1094 876 A 64 GLN HE2y A 64 GLN HBx 1.0 1.8 3.52 1095 876 A 64 GLN HE2y A 64 GLN HBy 1.0 1.8 3.52 1096 877 A 65 ARG H A 64 GLN HBx 1.0 1.8 3.68 1097 877 A 65 ARG H A 64 GLN HBy 1.0 1.8 3.68 1098 878 A 64 GLN HGy A 68 GLN HE2x 1.0 1.8 4.06 1099 878 A 64 GLN HGy A 68 GLN HE2y 1.0 1.8 4.06 1100 879 A 64 GLN HGx A 64 GLN HE2x 1.0 1.8 3.55 1101 879 A 64 GLN HGx A 64 GLN HE2y 1.0 1.8 3.55 1102 880 A 64 GLN HGx A 68 GLN HE2x 1.0 1.8 3.75 1103 880 A 64 GLN HGx A 68 GLN HE2y 1.0 1.8 3.75 1104 881 A 65 ARG H A 65 ARG HGx 1.0 1.8 4.06 1105 881 A 65 ARG H A 65 ARG HGy 1.0 1.8 4.06 1106 882 A 65 ARG H A 65 ARG HDx 1.0 1.8 4.77 1107 882 A 65 ARG H A 65 ARG HDy 1.0 1.8 4.77 1108 883 A 65 ARG H A 68 GLN HGy 1.0 1.8 5.39 1109 883 A 65 ARG H A 68 GLN HGx 1.0 1.8 5.39 1110 884 A 65 ARG HA A 65 ARG HDx 1.0 1.8 4.89 1111 884 A 65 ARG HA A 65 ARG HDy 1.0 1.8 4.89 1112 885 A 67 GLU H A 67 GLU HBy 1.0 1.8 3.52 1113 885 A 67 GLU H A 67 GLU HBx 1.0 1.8 3.52 1114 886 A 67 GLU H A 67 GLU HGy 1.0 1.8 3.38 1115 886 A 67 GLU H A 67 GLU HGx 1.0 1.8 3.38 1116 887 A 67 GLU HA A 67 GLU HGy 1.0 1.8 3.44 1117 887 A 67 GLU HA A 67 GLU HGx 1.0 1.8 3.44 1118 888 A 95 ARG H A 67 GLU HBy 1.0 1.8 4.67 1119 888 A 95 ARG H A 67 GLU HBx 1.0 1.8 4.67 1120 889 A 68 GLN H A 67 GLU HGy 1.0 1.8 4.35 1121 889 A 68 GLN H A 67 GLU HGx 1.0 1.8 4.35 1122 890 A 68 GLN H A 68 GLN HGy 1.0 1.8 3.38 1123 890 A 68 GLN H A 68 GLN HGx 1.0 1.8 3.38 1124 891 A 68 GLN HA A 68 GLN HGy 1.0 1.8 3.60 1125 891 A 68 GLN HA A 68 GLN HGx 1.0 1.8 3.60 1126 892 A 68 GLN HA A 72 ASP HBy 1.0 1.8 4.19 1127 892 A 68 GLN HA A 72 ASP HBx 1.0 1.8 4.19 1128 893 A 68 GLN HE2x A 68 GLN HGy 1.0 1.8 3.25 1129 893 A 68 GLN HE2y A 68 GLN HGy 1.0 1.8 3.25 1130 893 A 68 GLN HGx A 68 GLN HE2x 1.0 1.8 3.25 1131 893 A 68 GLN HGx A 68 GLN HE2y 1.0 1.8 3.25 1132 894 A 69 LEU H A 68 GLN HGy 1.0 1.8 5.39 1133 894 A 69 LEU H A 68 GLN HGx 1.0 1.8 5.39 1134 895 A 69 LEU H A 69 LEU HBx 1.0 1.8 3.37 1135 895 A 69 LEU H A 69 LEU HBy 1.0 1.8 3.37 1136 896 A 69 LEU H A 69 LEU HDy% 1.0 1.8 4.24 1137 896 A 69 LEU H A 69 LEU HDx% 1.0 1.8 4.24 1138 897 A 69 LEU H A 72 ASP HBy 1.0 1.8 4.08 1139 897 A 69 LEU H A 72 ASP HBx 1.0 1.8 4.08 1140 898 A 69 LEU HA A 69 LEU HDy% 1.0 1.8 3.04 1141 898 A 69 LEU HDx% A 69 LEU HA 1.0 1.8 3.04 1142 899 A 69 LEU HA A 72 ASP HBy 1.0 1.8 5.27 1143 899 A 72 ASP HBx A 69 LEU HA 1.0 1.8 5.27 1144 900 A 69 LEU HBx A 69 LEU HDy% 1.0 1.8 2.81 1145 900 A 69 LEU HBy A 69 LEU HDy% 1.0 1.8 2.81 1146 900 A 69 LEU HDx% A 69 LEU HBx 1.0 1.8 2.81 1147 900 A 69 LEU HDx% A 69 LEU HBy 1.0 1.8 2.81 1148 901 A 70 TRP H A 69 LEU HBx 1.0 1.8 4.03 1149 901 A 70 TRP H A 69 LEU HBy 1.0 1.8 4.03 1150 902 A 70 TRP H A 69 LEU HDy% 1.0 1.8 4.14 1151 902 A 70 TRP H A 69 LEU HDx% 1.0 1.8 4.14 1152 903 A 69 LEU HDx% A 72 ASP HBy 1.0 1.8 4.85 1153 903 A 72 ASP HBx A 69 LEU HDy% 1.0 1.8 4.85 1154 903 A 69 LEU HDx% A 72 ASP HBx 1.0 1.8 4.85 1155 903 A 69 LEU HDy% A 72 ASP HBy 1.0 1.8 4.85 1156 904 A 70 TRP H A 70 TRP HBx 1.0 1.8 3.72 1157 904 A 70 TRP H A 70 TRP HBy 1.0 1.8 3.72 1158 905 A 71 THR H A 70 TRP HBx 1.0 1.8 4.44 1159 905 A 71 THR H A 70 TRP HBy 1.0 1.8 4.44 1160 906 A 71 THR HG2% A 70 TRP HBx 1.0 1.8 5.09 1161 906 A 71 THR HG2% A 70 TRP HBy 1.0 1.8 5.09 1162 907 A 72 ASP HBy A 74 VAL HGy% 1.0 1.8 4.90 1163 907 A 72 ASP HBx A 74 VAL HGy% 1.0 1.8 4.90 1164 907 A 74 VAL HGx% A 72 ASP HBy 1.0 1.8 4.90 1165 907 A 72 ASP HBx A 74 VAL HGx% 1.0 1.8 4.90 1166 908 A 74 VAL H A 74 VAL HGy% 1.0 1.8 3.88 1167 908 A 74 VAL H A 74 VAL HGx% 1.0 1.8 3.88 1168 909 A 74 VAL HA A 75 PRO HDx 1.0 1.8 3.37 1169 909 A 74 VAL HA A 75 PRO HDy 1.0 1.8 3.37 1170 910 A 74 VAL HB A 75 PRO HDx 1.0 1.8 4.23 1171 910 A 74 VAL HB A 75 PRO HDy 1.0 1.8 4.23 1172 911 A 75 PRO HA A 74 VAL HGy% 1.0 1.8 4.37 1173 911 A 75 PRO HA A 74 VAL HGx% 1.0 1.8 4.37 1174 912 A 75 PRO HBy A 74 VAL HGy% 1.0 1.8 4.74 1175 912 A 74 VAL HGx% A 75 PRO HBy 1.0 1.8 4.74 1176 913 A 75 PRO HBx A 74 VAL HGy% 1.0 1.8 5.04 1177 913 A 75 PRO HBx A 74 VAL HGx% 1.0 1.8 5.04 1178 914 A 74 VAL HGy% A 75 PRO HGy 1.0 1.8 3.84 1179 914 A 74 VAL HGx% A 75 PRO HGy 1.0 1.8 3.84 1180 914 A 75 PRO HGx A 74 VAL HGy% 1.0 1.8 3.84 1181 914 A 74 VAL HGx% A 75 PRO HGx 1.0 1.8 3.84 1182 915 A 74 VAL HGy% A 75 PRO HDx 1.0 1.8 3.26 1183 915 A 74 VAL HGx% A 75 PRO HDx 1.0 1.8 3.26 1184 915 A 75 PRO HDy A 74 VAL HGy% 1.0 1.8 3.26 1185 915 A 74 VAL HGx% A 75 PRO HDy 1.0 1.8 3.26 1186 916 A 76 ALA H A 74 VAL HGy% 1.0 1.8 5.05 1187 916 A 76 ALA H A 74 VAL HGx% 1.0 1.8 5.05 1188 917 A 77 SER HA A 74 VAL HGy% 1.0 1.8 4.75 1189 917 A 77 SER HA A 74 VAL HGx% 1.0 1.8 4.75 1190 918 A 74 VAL HGy% A 77 SER HBy 1.0 1.8 4.58 1191 918 A 77 SER HBx A 74 VAL HGy% 1.0 1.8 4.58 1192 918 A 74 VAL HGx% A 77 SER HBx 1.0 1.8 4.58 1193 918 A 74 VAL HGx% A 77 SER HBy 1.0 1.8 4.58 1194 919 A 78 VAL H A 74 VAL HGy% 1.0 1.8 3.58 1195 919 A 78 VAL H A 74 VAL HGx% 1.0 1.8 3.58 1196 920 A 78 VAL HA A 74 VAL HGy% 1.0 1.8 3.00 1197 920 A 78 VAL HA A 74 VAL HGx% 1.0 1.8 3.00 1198 921 A 78 VAL HB A 74 VAL HGy% 1.0 1.8 2.89 1199 921 A 78 VAL HB A 74 VAL HGx% 1.0 1.8 2.89 1200 922 A 79 ARG H A 74 VAL HGy% 1.0 1.8 4.83 1201 922 A 79 ARG H A 74 VAL HGx% 1.0 1.8 4.83 1202 923 A 80 GLU H A 74 VAL HGy% 1.0 1.8 5.49 1203 923 A 80 GLU H A 74 VAL HGx% 1.0 1.8 5.49 1204 924 A 94 VAL H A 74 VAL HGy% 1.0 1.8 3.94 1205 924 A 94 VAL H A 74 VAL HGx% 1.0 1.8 3.94 1206 925 A 75 PRO HBy A 77 SER HBy 1.0 1.8 4.25 1207 925 A 75 PRO HBy A 77 SER HBx 1.0 1.8 4.25 1208 926 A 76 ALA H A 75 PRO HGy 1.0 1.8 4.78 1209 926 A 76 ALA H A 75 PRO HGx 1.0 1.8 4.78 1210 927 A 75 PRO HGx A 77 SER HBy 1.0 1.8 4.16 1211 927 A 75 PRO HGy A 77 SER HBy 1.0 1.8 4.16 1212 927 A 77 SER HBx A 75 PRO HGy 1.0 1.8 4.16 1213 927 A 75 PRO HGx A 77 SER HBx 1.0 1.8 4.16 1214 928 A 94 VAL HB A 75 PRO HDx 1.0 1.8 4.73 1215 928 A 94 VAL HB A 75 PRO HDy 1.0 1.8 4.73 1216 929 A 76 ALA HA A 79 ARG HBx 1.0 1.8 4.90 1217 929 A 76 ALA HA A 79 ARG HBy 1.0 1.8 4.90 1218 930 A 76 ALA HB% A 77 SER HBy 1.0 1.8 4.84 1219 930 A 76 ALA HB% A 77 SER HBx 1.0 1.8 4.84 1220 931 A 77 SER H A 77 SER HBy 1.0 1.8 3.70 1221 931 A 77 SER H A 77 SER HBx 1.0 1.8 3.70 1222 932 A 77 SER HA A 80 GLU HBx 1.0 1.8 4.31 1223 932 A 77 SER HA A 80 GLU HBy 1.0 1.8 4.31 1224 933 A 78 VAL H A 77 SER HBy 1.0 1.8 4.50 1225 933 A 78 VAL H A 77 SER HBx 1.0 1.8 4.50 1226 934 A 78 VAL H A 80 GLU HBx 1.0 1.8 5.39 1227 934 A 78 VAL H A 80 GLU HBy 1.0 1.8 5.39 1228 935 A 78 VAL HA A 81 HIS HBx 1.0 1.8 4.17 1229 935 A 78 VAL HA A 81 HIS HBy 1.0 1.8 4.17 1230 936 A 78 VAL HGx% A 79 ARG HGx 1.0 1.8 3.65 1231 936 A 78 VAL HGx% A 79 ARG HGy 1.0 1.8 3.65 1232 937 A 79 ARG H A 79 ARG HBx 1.0 1.8 3.41 1233 937 A 79 ARG H A 79 ARG HBy 1.0 1.8 3.41 1234 938 A 79 ARG H A 79 ARG HGx 1.0 1.8 3.94 1235 938 A 79 ARG H A 79 ARG HGy 1.0 1.8 3.94 1236 939 A 79 ARG HA A 79 ARG HDy 1.0 1.8 4.70 1237 939 A 79 ARG HA A 79 ARG HDx 1.0 1.8 4.70 1238 940 A 79 ARG HA A 82 LEU HBx 1.0 1.8 4.15 1239 940 A 79 ARG HA A 82 LEU HBy 1.0 1.8 4.15 1240 941 A 79 ARG HA A 82 LEU HDy% 1.0 1.8 4.82 1241 941 A 79 ARG HA A 82 LEU HDx% 1.0 1.8 4.82 1242 942 A 79 ARG HBx A 79 ARG HDy 1.0 1.8 3.34 1243 942 A 79 ARG HBy A 79 ARG HDy 1.0 1.8 3.34 1244 942 A 79 ARG HDx A 79 ARG HBx 1.0 1.8 3.34 1245 942 A 79 ARG HBy A 79 ARG HDx 1.0 1.8 3.34 1246 943 A 80 GLU H A 79 ARG HBx 1.0 1.8 3.86 1247 943 A 80 GLU H A 79 ARG HBy 1.0 1.8 3.86 1248 944 A 80 GLU H A 79 ARG HGx 1.0 1.8 4.97 1249 944 A 80 GLU H A 79 ARG HGy 1.0 1.8 4.97 1250 945 A 80 GLU H A 80 GLU HBx 1.0 1.8 3.30 1251 945 A 80 GLU H A 80 GLU HBy 1.0 1.8 3.30 1252 946 A 81 HIS HBx A 82 LEU HDy% 1.0 1.8 4.32 1253 946 A 81 HIS HBy A 82 LEU HDy% 1.0 1.8 4.32 1254 946 A 82 LEU HDx% A 81 HIS HBx 1.0 1.8 4.32 1255 946 A 81 HIS HBy A 82 LEU HDx% 1.0 1.8 4.32 1256 947 A 82 LEU H A 82 LEU HBx 1.0 1.8 3.49 1257 947 A 82 LEU H A 82 LEU HBy 1.0 1.8 3.49 1258 948 A 82 LEU H A 82 LEU HDy% 1.0 1.8 4.69 1259 948 A 82 LEU H A 82 LEU HDx% 1.0 1.8 4.69 1260 949 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 3.13 1261 949 A 82 LEU HA A 82 LEU HDx% 1.0 1.8 3.13 1262 950 A 82 LEU HBy A 82 LEU HDy% 1.0 1.8 2.85 1263 950 A 82 LEU HBx A 82 LEU HDy% 1.0 1.8 2.85 1264 950 A 82 LEU HDx% A 82 LEU HBx 1.0 1.8 2.85 1265 950 A 82 LEU HBy A 82 LEU HDx% 1.0 1.8 2.85 1266 951 A 83 ASN HBy A 83 ASN HD2y 1.0 1.8 3.18 1267 951 A 83 ASN HBx A 83 ASN HD2y 1.0 1.8 3.18 1268 951 A 83 ASN HD2x A 83 ASN HBy 1.0 1.8 3.18 1269 951 A 83 ASN HBx A 83 ASN HD2x 1.0 1.8 3.18 1270 952 A 89 GLY HAy A 90 ILE HG1x 1.0 1.8 4.81 1271 952 A 89 GLY HAx A 90 ILE HG1x 1.0 1.8 4.81 1272 952 A 90 ILE HG1y A 89 GLY HAx 1.0 1.8 4.81 1273 952 A 89 GLY HAy A 90 ILE HG1y 1.0 1.8 4.81 1274 953 A 90 ILE H A 90 ILE HG1x 1.0 1.8 3.76 1275 953 A 90 ILE H A 90 ILE HG1y 1.0 1.8 3.76 1276 954 A 91 ASP H A 91 ASP HBy 1.0 1.8 3.22 1277 954 A 91 ASP H A 91 ASP HBx 1.0 1.8 3.22 1278 955 A 92 TYR H A 91 ASP HBy 1.0 1.8 4.37 1279 955 A 92 TYR H A 91 ASP HBx 1.0 1.8 4.37 1280 956 A 92 TYR H A 92 TYR HBx 1.0 1.8 3.50 1281 956 A 92 TYR H A 92 TYR HBy 1.0 1.8 3.50 1282 957 A 93 ALA H A 92 TYR HBx 1.0 1.8 3.98 1283 957 A 93 ALA H A 92 TYR HBy 1.0 1.8 3.98 1284 958 A 95 ARG H A 95 ARG HBy 1.0 1.8 3.56 1285 958 A 95 ARG H A 95 ARG HBx 1.0 1.8 3.56 1286 959 A 95 ARG HA A 95 ARG HDy 1.0 1.8 5.39 1287 959 A 95 ARG HDx A 95 ARG HA 1.0 1.8 5.39 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 27 TYR H A 57 ALA O 1.0 1.8 2.0 2 2 A 57 ALA O A 27 TYR N 1.0 2.7 3.0 3 3 A 28 PHE H A 40 TRP O 1.0 1.8 2.0 4 4 A 40 TRP O A 28 PHE N 1.0 2.7 3.0 5 5 A 29 VAL H A 53 VAL O 1.0 1.8 2.0 6 6 A 53 VAL O A 29 VAL N 1.0 2.7 3.0 7 7 A 30 VAL H A 38 SER O 1.0 1.8 2.0 8 8 A 38 SER O A 30 VAL N 1.0 2.7 3.0 9 9 A 31 ARG H A 51 GLU O 1.0 1.8 2.0 10 10 A 51 GLU O A 31 ARG N 1.0 2.7 3.0 11 11 A 38 SER H A 30 VAL O 1.0 1.8 2.0 12 12 A 30 VAL O A 38 SER N 1.0 2.7 3.0 13 13 A 53 VAL H A 29 VAL O 1.0 1.8 2.0 14 14 A 29 VAL O A 53 VAL N 1.0 2.7 3.0 15 15 A 40 TRP H A 28 PHE O 1.0 1.8 2.0 16 16 A 28 PHE O A 40 TRP N 1.0 2.7 3.0 17 17 A 51 GLU H A 31 ARG O 1.0 1.8 2.0 18 18 A 31 ARG O A 51 GLU N 1.0 2.7 3.0 19 19 A 57 ALA H A 27 TYR O 1.0 1.8 2.0 20 20 A 27 TYR O A 57 ALA N 1.0 2.7 3.0 21 21 A 50 TRP H A 47 PRO O 1.0 1.8 2.0 22 22 A 47 PRO O A 50 TRP N 1.0 2.7 3.0 23 23 A 62 CYS H A 58 THR O 1.0 1.8 2.0 24 24 A 58 THR O A 62 CYS N 1.0 2.7 3.0 25 25 A 63 LEU H A 59 LYS O 1.0 1.8 2.0 26 26 A 59 LYS O A 63 LEU N 1.0 2.7 3.0 27 27 A 65 ARG H A 61 GLN O 1.0 1.8 2.0 28 28 A 61 GLN O A 65 ARG 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 25 GLU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -170.7 -47.5 PHI 2 2 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 TYR N 1.0 90.2 197.6 PSI 3 3 A 26 LEU C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -165.3 -105.3 PHI 4 4 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 PHE N 1.0 148.8 168.8 PSI 5 5 A 27 TYR C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -173.7 -89.5 PHI 6 6 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 VAL N 1.0 131.2 172.6 PSI 7 7 A 28 PHE C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -135.5 -46.1 PHI 8 8 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 VAL N 1.0 100.6 159.0 PSI 9 9 A 29 VAL C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -152.9 -126.1 PHI 10 10 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ARG N 1.0 155.0 178.4 PSI 11 11 A 30 VAL C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -169.1 -106.1 PHI 12 12 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 ASN N 1.0 117.6 170.0 PSI 13 13 A 31 ARG C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -172.4 -38.4 PHI 14 14 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 ASN N 1.0 141.4 195.8 PSI 15 15 A 32 ASN C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 31.1 76.1 PHI 16 16 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 GLU N 1.0 4.4 70.4 PSI 17 17 A 33 ASN C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -112.0 -75.6 PHI 18 18 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLY N 1.0 -32.0 28.4 PSI 19 19 A 34 GLU C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 57.9 106.1 PHI 20 20 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 GLN N 1.0 -22.4 42.2 PSI 21 21 A 35 GLY C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -129.8 -64.2 PHI 22 22 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 TYR N 1.0 128.6 173.6 PSI 23 23 A 36 GLN C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -161.9 -106.5 PHI 24 24 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 SER N 1.0 132.8 182.0 PSI 25 25 A 37 TYR C A 38 SER N A 38 SER CA A 38 SER C 1.0 -188.0 -56.6 PHI 26 26 A 38 SER N A 38 SER CA A 38 SER C A 39 VAL N 1.0 124.9 180.7 PSI 27 27 A 38 SER C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -169.8 -100.0 PHI 28 28 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 TRP N 1.0 129.7 173.9 PSI 29 29 A 39 VAL C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 -174.8 -111.6 PHI 30 30 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 MET N 1.0 99.8 159.6 PSI 31 31 A 40 TRP C A 41 MET N A 41 MET CA A 41 MET C 1.0 -91.5 -44.1 PHI 32 32 A 41 MET N A 41 MET CA A 41 MET C A 42 ASP N 1.0 121.5 148.1 PSI 33 33 A 42 ASP C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 58.5 110.5 PHI 34 34 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 ARG N 1.0 -34.6 31.0 PSI 35 35 A 44 ARG C A 45 SER N A 45 SER CA A 45 SER C 1.0 -145.4 -41.8 PHI 36 36 A 45 SER N A 45 SER CA A 45 SER C A 46 LEU N 1.0 72.0 187.8 PSI 37 37 A 45 SER C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -124.1 -50.1 PHI 38 38 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 PRO N 1.0 88.4 167.6 PSI 39 39 A 47 PRO C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -83.6 -41.8 PHI 40 40 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLY N 1.0 118.6 151.8 PSI 41 41 A 48 ALA C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 58.9 115.5 PHI 42 42 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 TRP N 1.0 -35.1 24.3 PSI 43 43 A 50 TRP C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -156.0 -113.4 PHI 44 44 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 THR N 1.0 133.4 176.4 PSI 45 45 A 51 GLU C A 52 THR N A 52 THR CA A 52 THR C 1.0 -170.1 -53.9 PHI 46 46 A 52 THR N A 52 THR CA A 52 THR C A 53 VAL N 1.0 100.5 178.1 PSI 47 47 A 54 GLY C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -145.7 -44.3 PHI 48 48 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 PRO N 1.0 94.5 183.7 PSI 49 49 A 56 PRO C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -171.3 -67.1 PHI 50 50 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 THR N 1.0 147.1 185.1 PSI 51 51 A 57 ALA C A 58 THR N A 58 THR CA A 58 THR C 1.0 -123.1 -55.9 PHI 52 52 A 58 THR N A 58 THR CA A 58 THR C A 59 LYS N 1.0 151.5 180.1 PSI 53 53 A 58 THR C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -71.4 -43.4 PHI 54 54 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 GLN N 1.0 -59.1 -30.5 PSI 55 55 A 59 LYS C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -73.6 -53.0 PHI 56 56 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 GLN N 1.0 -55.5 -28.1 PSI 57 57 A 60 GLN C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -74.7 -54.7 PHI 58 58 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 CYS N 1.0 -56.4 -30.2 PSI 59 59 A 61 GLN C A 62 CYS N A 62 CYS CA A 62 CYS C 1.0 -81.7 -42.5 PHI 60 60 A 62 CYS N A 62 CYS CA A 62 CYS C A 63 LEU N 1.0 -60.0 -32.2 PSI 61 61 A 62 CYS C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -67.9 -47.9 PHI 62 62 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLN N 1.0 -54.2 -33.4 PSI 63 63 A 63 LEU C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -74.9 -54.9 PHI 64 64 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 ARG N 1.0 -51.8 -31.8 PSI 65 65 A 64 GLN C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -76.6 -56.6 PHI 66 66 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 ILE N 1.0 -53.2 -27.0 PSI 67 67 A 65 ARG C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -74.2 -54.2 PHI 68 68 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 GLU N 1.0 -52.7 -32.7 PSI 69 69 A 66 ILE C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -71.5 -50.3 PHI 70 70 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 GLN N 1.0 -55.8 -32.8 PSI 71 71 A 67 GLU C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -93.4 -46.8 PHI 72 72 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 LEU N 1.0 -72.2 11.6 PSI 73 73 A 68 GLN C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -102.7 -38.3 PHI 74 74 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 TRP N 1.0 -65.9 0.5 PSI 75 75 A 69 LEU C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -85.2 -45.8 PHI 76 76 A 70 TRP N A 70 TRP CA A 70 TRP C A 71 THR N 1.0 -54.8 -25.4 PSI 77 77 A 70 TRP C A 71 THR N A 71 THR CA A 71 THR C 1.0 -86.8 -43.2 PHI 78 78 A 71 THR N A 71 THR CA A 71 THR C A 72 ASP N 1.0 -59.8 -12.0 PSI 79 79 A 71 THR C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -95.9 -42.3 PHI 80 80 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 MET N 1.0 -55.8 -2.4 PSI 81 81 A 73 MET C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -151.8 -73.4 PHI 82 82 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 PRO N 1.0 45.9 176.9 PSI 83 83 A 75 PRO C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -75.4 -44.2 PHI 84 84 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 SER N 1.0 -45.0 -7.6 PSI 85 85 A 76 ALA C A 77 SER N A 77 SER CA A 77 SER C 1.0 -79.1 -50.1 PHI 86 86 A 77 SER N A 77 SER CA A 77 SER C A 78 VAL N 1.0 -64.3 -3.1 PSI 87 87 A 77 SER C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -85.2 -46.6 PHI 88 88 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 ARG N 1.0 -66.2 -18.6 PSI 89 89 A 78 VAL C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -73.7 -53.3 PHI 90 90 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 GLU N 1.0 -51.3 -20.3 PSI 91 91 A 79 ARG C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -77.2 -49.2 PHI 92 92 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 HIS N 1.0 -56.8 -13.4 PSI 93 93 A 80 GLU C A 81 HIS N A 81 HIS CA A 81 HIS C 1.0 -109.4 -32.2 PHI 94 94 A 81 HIS N A 81 HIS CA A 81 HIS C A 82 LEU N 1.0 -62.5 -0.9 PSI stop_ save_