data_nef_c19749_2mk2 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MK2 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 GLY middle . false 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 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 SER middle . . 13 A 13 TRP middle . . 14 A 14 TYR middle . . 15 A 15 HIS middle . . 16 A 16 ARG middle . . 17 A 17 ASP middle . . 18 A 18 LEU middle . . 19 A 19 SER middle . . 20 A 20 ARG middle . . 21 A 21 ALA middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 GLU middle . . 25 A 25 GLU middle . . 26 A 26 LEU middle . . 27 A 27 LEU middle . . 28 A 28 ALA middle . . 29 A 29 ARG middle . . 30 A 30 ALA middle . . 31 A 31 GLY middle . false 32 A 32 ARG middle . . 33 A 33 ASP middle . . 34 A 34 GLY middle . false 35 A 35 SER middle . . 36 A 36 PHE middle . . 37 A 37 LEU middle . . 38 A 38 VAL middle . . 39 A 39 ARG middle . . 40 A 40 ASP middle . . 41 A 41 SER middle . . 42 A 42 GLU middle . . 43 A 43 SER middle . . 44 A 44 VAL middle . . 45 A 45 ALA middle . . 46 A 46 GLY middle . false 47 A 47 ALA middle . . 48 A 48 PHE middle . . 49 A 49 ALA middle . . 50 A 50 LEU middle . . 51 A 51 CYS middle . . 52 A 52 VAL middle . . 53 A 53 LEU middle . . 54 A 54 TYR middle . . 55 A 55 GLN middle . . 56 A 56 LYS middle . . 57 A 57 HIS middle . . 58 A 58 VAL middle . . 59 A 59 HIS middle . . 60 A 60 THR middle . . 61 A 61 TYR middle . . 62 A 62 ARG middle . . 63 A 63 ILE middle . . 64 A 64 LEU middle . . 65 A 65 PRO middle . false 66 A 66 ASP middle . . 67 A 67 GLY middle . false 68 A 68 GLU middle . . 69 A 69 ASP middle . . 70 A 70 PHE middle . . 71 A 71 LEU middle . . 72 A 72 ALA middle . . 73 A 73 VAL middle . . 74 A 74 GLN middle . . 75 A 75 THR middle . . 76 A 76 SER middle . . 77 A 77 GLN middle . . 78 A 78 GLY middle . false 79 A 79 VAL middle . . 80 A 80 PRO middle . false 81 A 81 VAL middle . . 82 A 82 ARG middle . . 83 A 83 ARG middle . . 84 A 84 PHE middle . . 85 A 85 GLN middle . . 86 A 86 THR middle . . 87 A 87 LEU middle . . 88 A 88 GLY middle . false 89 A 89 GLU middle . . 90 A 90 LEU middle . . 91 A 91 ILE middle . . 92 A 92 GLY middle . false 93 A 93 LEU middle . . 94 A 94 TYR middle . . 95 A 95 ALA middle . . 96 A 96 GLN middle . . 97 A 97 PRO middle . false 98 A 98 ASN middle . . 99 A 99 GLN middle . . 100 A 100 GLY middle . false 101 A 101 LEU middle . . 102 A 102 VAL middle . . 103 A 103 CYS middle . . 104 A 104 ALA middle . . 105 A 105 LEU middle . . 106 A 106 LEU middle . . 107 A 107 LEU middle . . 108 A 108 PRO middle . false 109 A 109 VAL 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 10 HIS HBy H 1 3.18 0.02 A 10 HIS HBx H 1 3.04 0.02 A 10 HIS C C 13 175 0.2 A 10 HIS CA C 13 55.9 0.2 A 10 HIS CB C 13 29.9 0.2 A 11 MET H H 1 7.8 0.02 A 11 MET HA H 1 4 0.02 A 11 MET HBy H 1 0.96 0.02 A 11 MET HBx H 1 0.56 0.02 A 11 MET HGx H 1 2.16 0.02 A 11 MET HGy H 1 2.16 0.02 A 11 MET C C 13 177.5 0.2 A 11 MET CA C 13 54.1 0.2 A 11 MET CB C 13 31.5 0.2 A 11 MET CG C 13 32.4 0.2 A 11 MET N N 15 120.4 0.2 A 12 SER H H 1 8.52 0.02 A 12 SER HA H 1 3.86 0.02 A 12 SER HBx H 1 3.81 0.02 A 12 SER HBy H 1 3.81 0.02 A 12 SER HG H 1 5.69 0.02 A 12 SER C C 13 173.9 0.2 A 12 SER CA C 13 61.2 0.2 A 12 SER CB C 13 62.5 0.2 A 12 SER N N 15 118.6 0.2 A 13 TRP H H 1 6.18 0.02 A 13 TRP HA H 1 4.89 0.02 A 13 TRP HBy H 1 3.57 0.02 A 13 TRP HBx H 1 2.77 0.02 A 13 TRP HD1 H 1 7.27 0.02 A 13 TRP HE1 H 1 10.72 0.02 A 13 TRP HE3 H 1 7.29 0.02 A 13 TRP HH2 H 1 6.69 0.02 A 13 TRP HZ2 H 1 7.48 0.02 A 13 TRP HZ3 H 1 6.59 0.02 A 13 TRP C C 13 176 0.2 A 13 TRP CA C 13 53.8 0.2 A 13 TRP CB C 13 30.1 0.2 A 13 TRP CD1 C 13 129.4 0.2 A 13 TRP CE3 C 13 121.8 0.2 A 13 TRP CH2 C 13 124.5 0.2 A 13 TRP CZ2 C 13 115 0.2 A 13 TRP CZ3 C 13 120.5 0.2 A 13 TRP N N 15 113.4 0.2 A 13 TRP NE1 N 15 132.2 0.2 A 14 TYR H H 1 7.43 0.02 A 14 TYR HA H 1 5.57 0.02 A 14 TYR HBy H 1 2.67 0.02 A 14 TYR HBx H 1 2.6 0.02 A 14 TYR HDx H 1 6.93 0.02 A 14 TYR HDy H 1 6.93 0.02 A 14 TYR HEx H 1 6.83 0.02 A 14 TYR HEy H 1 6.83 0.02 A 14 TYR C C 13 174.7 0.2 A 14 TYR CA C 13 56 0.2 A 14 TYR CB C 13 37.9 0.2 A 14 TYR CDx C 13 132.6 0.2 A 14 TYR CDy C 13 132.6 0.2 A 14 TYR CEx C 13 118.4 0.2 A 14 TYR CEy C 13 118.4 0.2 A 14 TYR N N 15 123.2 0.2 A 15 HIS H H 1 8.68 0.02 A 15 HIS HA H 1 4.55 0.02 A 15 HIS HBy H 1 3.11 0.02 A 15 HIS HBx H 1 2.88 0.02 A 15 HIS HD2 H 1 7.42 0.02 A 15 HIS HE1 H 1 8.46 0.02 A 15 HIS C C 13 173.3 0.2 A 15 HIS CA C 13 53.1 0.2 A 15 HIS CB C 13 30.4 0.2 A 15 HIS CD2 C 13 121.2 0.2 A 15 HIS CE1 C 13 136.4 0.2 A 15 HIS N N 15 126.9 0.2 A 15 HIS ND1 N 15 232.4 0.2 A 15 HIS NE2 N 15 188.4 0.2 A 16 ARG H H 1 7.74 0.02 A 16 ARG HA H 1 3.95 0.02 A 16 ARG HBx H 1 1.72 0.02 A 16 ARG HBy H 1 1.72 0.02 A 16 ARG HDx H 1 3.21 0.02 A 16 ARG HDy H 1 3.21 0.02 A 16 ARG HE H 1 7.38 0.02 A 16 ARG HGx H 1 1.54 0.02 A 16 ARG HGy H 1 1.54 0.02 A 16 ARG C C 13 176.1 0.2 A 16 ARG CA C 13 57.3 0.2 A 16 ARG CB C 13 30.1 0.2 A 16 ARG CD C 13 43.2 0.2 A 16 ARG CG C 13 26.9 0.2 A 16 ARG N N 15 122.5 0.2 A 16 ARG NE N 15 85.3 0.2 A 17 ASP H H 1 8.9 0.02 A 17 ASP HA H 1 4.52 0.02 A 17 ASP HBx H 1 2.76 0.02 A 17 ASP HBy H 1 2.76 0.02 A 17 ASP C C 13 174.9 0.2 A 17 ASP CA C 13 54.8 0.2 A 17 ASP CB C 13 39.9 0.2 A 17 ASP N N 15 119.1 0.2 A 18 LEU H H 1 7.28 0.02 A 18 LEU HA H 1 4.51 0.02 A 18 LEU HBy H 1 1.62 0.02 A 18 LEU HBx H 1 1.42 0.02 A 18 LEU HDx% H 1 0.83 0.02 A 18 LEU HDy% H 1 0.64 0.02 A 18 LEU HG H 1 1.79 0.02 A 18 LEU C C 13 176.3 0.2 A 18 LEU CA C 13 54.5 0.2 A 18 LEU CB C 13 44.8 0.2 A 18 LEU CDx C 13 25.1 0.2 A 18 LEU CDy C 13 26.4 0.2 A 18 LEU CG C 13 26.5 0.2 A 18 LEU N N 15 121 0.2 A 19 SER H H 1 8.65 0.02 A 19 SER HA H 1 4.44 0.02 A 19 SER HBy H 1 4.37 0.02 A 19 SER HBx H 1 4.1 0.02 A 19 SER C C 13 173.9 0.2 A 19 SER CA C 13 57.7 0.2 A 19 SER CB C 13 65.2 0.2 A 19 SER N N 15 123.4 0.2 A 20 ARG H H 1 8.97 0.02 A 20 ARG HA H 1 3.71 0.02 A 20 ARG HBx H 1 1.83 0.02 A 20 ARG HBy H 1 1.83 0.02 A 20 ARG HDx H 1 3.17 0.02 A 20 ARG HDy H 1 3.17 0.02 A 20 ARG HE H 1 7.41 0.02 A 20 ARG HGy H 1 1.6 0.02 A 20 ARG HGx H 1 1.42 0.02 A 20 ARG C C 13 178.2 0.2 A 20 ARG CA C 13 60.6 0.2 A 20 ARG CB C 13 30.1 0.2 A 20 ARG CD C 13 43 0.2 A 20 ARG CG C 13 27 0.2 A 20 ARG N N 15 121.7 0.2 A 20 ARG NE N 15 84.5 0.2 A 21 ALA H H 1 8.67 0.02 A 21 ALA HA H 1 4.04 0.02 A 21 ALA HB% H 1 1.37 0.02 A 21 ALA C C 13 180.6 0.2 A 21 ALA CA C 13 55.2 0.2 A 21 ALA CB C 13 18.3 0.2 A 21 ALA N N 15 119.9 0.2 A 22 ALA H H 1 7.89 0.02 A 22 ALA HA H 1 4.13 0.02 A 22 ALA HB% H 1 1.45 0.02 A 22 ALA C C 13 180.9 0.2 A 22 ALA CA C 13 54.7 0.2 A 22 ALA CB C 13 19 0.2 A 22 ALA N N 15 121 0.2 A 23 ALA H H 1 8.57 0.02 A 23 ALA HA H 1 3.88 0.02 A 23 ALA HB% H 1 1.45 0.02 A 23 ALA C C 13 178.7 0.2 A 23 ALA CA C 13 55.1 0.2 A 23 ALA CB C 13 19.2 0.2 A 23 ALA N N 15 121.7 0.2 A 24 GLU H H 1 8.2 0.02 A 24 GLU HA H 1 3.76 0.02 A 24 GLU HBx H 1 2.06 0.02 A 24 GLU HBy H 1 2.06 0.02 A 24 GLU HGy H 1 2.67 0.02 A 24 GLU HGx H 1 2.03 0.02 A 24 GLU C C 13 178.9 0.2 A 24 GLU CA C 13 60.5 0.2 A 24 GLU CB C 13 28.5 0.2 A 24 GLU CG C 13 37.3 0.2 A 24 GLU N N 15 116.5 0.2 A 25 GLU H H 1 7.69 0.02 A 25 GLU HA H 1 4.06 0.02 A 25 GLU HBx H 1 2.05 0.02 A 25 GLU HBy H 1 2.05 0.02 A 25 GLU HGy H 1 2.33 0.02 A 25 GLU HGx H 1 2.19 0.02 A 25 GLU C C 13 178.4 0.2 A 25 GLU CA C 13 59.4 0.2 A 25 GLU CB C 13 29.5 0.2 A 25 GLU CG C 13 36.2 0.2 A 25 GLU N N 15 120 0.2 A 26 LEU H H 1 7.84 0.02 A 26 LEU HA H 1 3.91 0.02 A 26 LEU HBy H 1 1.65 0.02 A 26 LEU HBx H 1 1.42 0.02 A 26 LEU HDx% H 1 0.71 0.02 A 26 LEU HDy% H 1 0.65 0.02 A 26 LEU HG H 1 1.65 0.02 A 26 LEU C C 13 180.2 0.2 A 26 LEU CA C 13 58.2 0.2 A 26 LEU CB C 13 42.4 0.2 A 26 LEU CDy C 13 24.7 0.2 A 26 LEU CDx C 13 23.9 0.2 A 26 LEU CG C 13 27.2 0.2 A 26 LEU N N 15 120.2 0.2 A 27 LEU H H 1 7.96 0.02 A 27 LEU HA H 1 3.98 0.02 A 27 LEU HBy H 1 1.75 0.02 A 27 LEU HBx H 1 1.31 0.02 A 27 LEU HDx% H 1 0.73 0.02 A 27 LEU HDy% H 1 0.5 0.02 A 27 LEU HG H 1 1.65 0.02 A 27 LEU C C 13 177.8 0.2 A 27 LEU CA C 13 57.6 0.2 A 27 LEU CB C 13 41.9 0.2 A 27 LEU CDx C 13 26.8 0.2 A 27 LEU CDy C 13 28 0.2 A 27 LEU CG C 13 27.2 0.2 A 27 LEU N N 15 117.8 0.2 A 28 ALA H H 1 8.16 0.02 A 28 ALA HA H 1 3.9 0.02 A 28 ALA HB% H 1 1.43 0.02 A 28 ALA C C 13 180.9 0.2 A 28 ALA CA C 13 55.2 0.2 A 28 ALA CB C 13 17.9 0.2 A 28 ALA N N 15 120.6 0.2 A 29 ARG H H 1 7.76 0.02 A 29 ARG HA H 1 3.96 0.02 A 29 ARG HBx H 1 1.89 0.02 A 29 ARG HBy H 1 1.89 0.02 A 29 ARG HDx H 1 3.18 0.02 A 29 ARG HDy H 1 3.18 0.02 A 29 ARG HGy H 1 1.82 0.02 A 29 ARG HGx H 1 1.66 0.02 A 29 ARG C C 13 178 0.2 A 29 ARG CA C 13 58.6 0.2 A 29 ARG CB C 13 30.3 0.2 A 29 ARG CD C 13 43.7 0.2 A 29 ARG CG C 13 27.7 0.2 A 29 ARG N N 15 116.2 0.2 A 30 ALA H H 1 7.58 0.02 A 30 ALA HA H 1 4.2 0.02 A 30 ALA HB% H 1 1.66 0.02 A 30 ALA C C 13 182 0.2 A 30 ALA CA C 13 54.9 0.2 A 30 ALA CB C 13 18.7 0.2 A 30 ALA N N 15 123.2 0.2 A 31 GLY H H 1 7.69 0.02 A 31 GLY HAy H 1 4.02 0.02 A 31 GLY HAx H 1 3.56 0.02 A 31 GLY C C 13 174.8 0.2 A 31 GLY CA C 13 48.1 0.2 A 31 GLY N N 15 102.4 0.2 A 32 ARG H H 1 7.04 0.02 A 32 ARG HA H 1 4.46 0.02 A 32 ARG HBy H 1 1.81 0.02 A 32 ARG HBx H 1 1.48 0.02 A 32 ARG HDx H 1 3.22 0.02 A 32 ARG HDy H 1 3.22 0.02 A 32 ARG HGy H 1 1.78 0.02 A 32 ARG HGx H 1 1.72 0.02 A 32 ARG C C 13 176.5 0.2 A 32 ARG CA C 13 55.4 0.2 A 32 ARG CB C 13 32.6 0.2 A 32 ARG CD C 13 43.6 0.2 A 32 ARG CG C 13 27.2 0.2 A 32 ARG N N 15 121.1 0.2 A 33 ASP H H 1 9.11 0.02 A 33 ASP HA H 1 4.77 0.02 A 33 ASP HBy H 1 2.96 0.02 A 33 ASP HBx H 1 2.76 0.02 A 33 ASP C C 13 176.8 0.2 A 33 ASP CA C 13 56 0.2 A 33 ASP CB C 13 41 0.2 A 33 ASP N N 15 126.1 0.2 A 34 GLY H H 1 9.44 0.02 A 34 GLY HAy H 1 4.47 0.02 A 34 GLY HAx H 1 3.8 0.02 A 34 GLY C C 13 175.8 0.2 A 34 GLY CA C 13 46 0.2 A 34 GLY N N 15 109.4 0.2 A 35 SER H H 1 8.05 0.02 A 35 SER HA H 1 5.99 0.02 A 35 SER HBy H 1 3.93 0.02 A 35 SER HBx H 1 3.81 0.02 A 35 SER HG H 1 5.81 0.02 A 35 SER C C 13 173.4 0.2 A 35 SER CA C 13 59.8 0.2 A 35 SER CB C 13 63.7 0.2 A 35 SER N N 15 120.4 0.2 A 36 PHE H H 1 8.73 0.02 A 36 PHE HA H 1 6.04 0.02 A 36 PHE HBy H 1 3.01 0.02 A 36 PHE HBx H 1 2.8 0.02 A 36 PHE HDx H 1 7.36 0.02 A 36 PHE HDy H 1 7.36 0.02 A 36 PHE HEx H 1 6.54 0.02 A 36 PHE HEy H 1 6.54 0.02 A 36 PHE C C 13 170.9 0.2 A 36 PHE CA C 13 56.3 0.2 A 36 PHE CB C 13 44.4 0.2 A 36 PHE CDx C 13 132.3 0.2 A 36 PHE CDy C 13 132.3 0.2 A 36 PHE N N 15 122 0.2 A 37 LEU H H 1 9 0.02 A 37 LEU HA H 1 5.05 0.02 A 37 LEU HBy H 1 2.49 0.02 A 37 LEU HBx H 1 1.87 0.02 A 37 LEU HDx% H 1 0.78 0.02 A 37 LEU HDy% H 1 0.5 0.02 A 37 LEU HG H 1 1.69 0.02 A 37 LEU C C 13 175.1 0.2 A 37 LEU CA C 13 54.5 0.2 A 37 LEU CB C 13 45.2 0.2 A 37 LEU CDx C 13 25.2 0.2 A 37 LEU CDy C 13 27.9 0.2 A 37 LEU CG C 13 26.2 0.2 A 37 LEU N N 15 112.5 0.2 A 38 VAL H H 1 9.83 0.02 A 38 VAL HA H 1 5.48 0.02 A 38 VAL HB H 1 2.33 0.02 A 38 VAL HGx% H 1 1.19 0.02 A 38 VAL HGy% H 1 1.07 0.02 A 38 VAL C C 13 173.6 0.2 A 38 VAL CA C 13 61.2 0.2 A 38 VAL CB C 13 35.2 0.2 A 38 VAL CGx C 13 23.4 0.2 A 38 VAL CGy C 13 24.2 0.2 A 38 VAL N N 15 120.2 0.2 A 39 ARG H H 1 9.24 0.02 A 39 ARG HA H 1 5.52 0.02 A 39 ARG HBy H 1 2.42 0.02 A 39 ARG HBx H 1 1.49 0.02 A 39 ARG HDy H 1 3.22 0.02 A 39 ARG HDx H 1 2.78 0.02 A 39 ARG HE H 1 6.65 0.02 A 39 ARG HGx H 1 1.69 0.02 A 39 ARG HGy H 1 1.69 0.02 A 39 ARG C C 13 174.7 0.2 A 39 ARG CA C 13 52.8 0.2 A 39 ARG CB C 13 34.2 0.2 A 39 ARG CD C 13 43.7 0.2 A 39 ARG CG C 13 26.6 0.2 A 39 ARG N N 15 124 0.2 A 39 ARG NE N 15 82.3 0.2 A 40 ASP H H 1 9.06 0.02 A 40 ASP HA H 1 4.95 0.02 A 40 ASP HBy H 1 2.78 0.02 A 40 ASP HBx H 1 2.67 0.02 A 40 ASP C C 13 176.5 0.2 A 40 ASP CA C 13 55.9 0.2 A 40 ASP CB C 13 40.9 0.2 A 40 ASP N N 15 122.8 0.2 A 41 SER H H 1 7.87 0.02 A 41 SER HA H 1 4.2 0.02 A 41 SER HBy H 1 3.91 0.02 A 41 SER HBx H 1 3.6 0.02 A 41 SER C C 13 175.7 0.2 A 41 SER CA C 13 58.4 0.2 A 41 SER CB C 13 63.9 0.2 A 41 SER N N 15 113.6 0.2 A 42 GLU H H 1 9.6 0.02 A 42 GLU HA H 1 4.39 0.02 A 42 GLU HBx H 1 2.15 0.02 A 42 GLU HBy H 1 2.15 0.02 A 42 GLU HGy H 1 2.48 0.02 A 42 GLU HGx H 1 2.34 0.02 A 42 GLU C C 13 176.5 0.2 A 42 GLU CA C 13 57.7 0.2 A 42 GLU CB C 13 29.5 0.2 A 42 GLU CG C 13 36.5 0.2 A 42 GLU N N 15 127.2 0.2 A 43 SER H H 1 8.11 0.02 A 43 SER HA H 1 4.59 0.02 A 43 SER HBx H 1 3.78 0.02 A 43 SER HBy H 1 3.78 0.02 A 43 SER HG H 1 5.75 0.02 A 43 SER C C 13 174 0.2 A 43 SER CA C 13 59.4 0.2 A 43 SER CB C 13 65.1 0.2 A 43 SER N N 15 113.4 0.2 A 44 VAL H H 1 7.62 0.02 A 44 VAL HA H 1 4.14 0.02 A 44 VAL HB H 1 1.85 0.02 A 44 VAL HGx% H 1 0.84 0.02 A 44 VAL HGy% H 1 0.84 0.02 A 44 VAL C C 13 174.8 0.2 A 44 VAL CA C 13 61.7 0.2 A 44 VAL CB C 13 33.7 0.2 A 44 VAL CGx C 13 21.1 0.2 A 44 VAL CGy C 13 21.1 0.2 A 44 VAL N N 15 123.2 0.2 A 45 ALA H H 1 8.48 0.02 A 45 ALA HA H 1 4.15 0.02 A 45 ALA HB% H 1 1.34 0.02 A 45 ALA C C 13 178.7 0.2 A 45 ALA CA C 13 53.7 0.2 A 45 ALA CB C 13 18.1 0.2 A 45 ALA N N 15 130.9 0.2 A 46 GLY H H 1 8.6 0.02 A 46 GLY HAy H 1 4.06 0.02 A 46 GLY HAx H 1 3.47 0.02 A 46 GLY C C 13 171.7 0.2 A 46 GLY CA C 13 45.4 0.2 A 46 GLY N N 15 111.4 0.2 A 47 ALA H H 1 7.34 0.02 A 47 ALA HA H 1 4.88 0.02 A 47 ALA HB% H 1 1.55 0.02 A 47 ALA C C 13 177.2 0.2 A 47 ALA CA C 13 49.8 0.2 A 47 ALA CB C 13 21.7 0.2 A 47 ALA N N 15 117.6 0.2 A 48 PHE H H 1 9.16 0.02 A 48 PHE HA H 1 5.37 0.02 A 48 PHE HBy H 1 3.28 0.02 A 48 PHE HBx H 1 2.67 0.02 A 48 PHE HDx H 1 7.03 0.02 A 48 PHE HDy H 1 7.03 0.02 A 48 PHE C C 13 174.1 0.2 A 48 PHE CA C 13 56.5 0.2 A 48 PHE CB C 13 43.9 0.2 A 48 PHE N N 15 117.1 0.2 A 49 ALA H H 1 9.63 0.02 A 49 ALA HA H 1 5.19 0.02 A 49 ALA HB% H 1 1.23 0.02 A 49 ALA C C 13 174.9 0.2 A 49 ALA CA C 13 51.2 0.2 A 49 ALA CB C 13 20.4 0.2 A 49 ALA N N 15 125.6 0.2 A 50 LEU H H 1 9.35 0.02 A 50 LEU HA H 1 5.07 0.02 A 50 LEU HBy H 1 2.06 0.02 A 50 LEU HBx H 1 1.34 0.02 A 50 LEU HDx% H 1 0.73 0.02 A 50 LEU HDy% H 1 0.41 0.02 A 50 LEU HG H 1 1.53 0.02 A 50 LEU C C 13 174.5 0.2 A 50 LEU CA C 13 54 0.2 A 50 LEU CB C 13 43.9 0.2 A 50 LEU CDx C 13 23.6 0.2 A 50 LEU CDy C 13 25.7 0.2 A 50 LEU CG C 13 27.8 0.2 A 50 LEU N N 15 127.1 0.2 A 51 CYS H H 1 9.3 0.02 A 51 CYS HA H 1 5.41 0.02 A 51 CYS HBy H 1 2.78 0.02 A 51 CYS HBx H 1 2.53 0.02 A 51 CYS C C 13 173 0.2 A 51 CYS CA C 13 57.2 0.2 A 51 CYS CB C 13 30.4 0.2 A 51 CYS N N 15 127.3 0.2 A 52 VAL H H 1 9.46 0.02 A 52 VAL HA H 1 5.16 0.02 A 52 VAL HB H 1 1.98 0.02 A 52 VAL HGx% H 1 0.93 0.02 A 52 VAL HGy% H 1 0.91 0.02 A 52 VAL C C 13 173.8 0.2 A 52 VAL CA C 13 59.9 0.2 A 52 VAL CB C 13 36.3 0.2 A 52 VAL CGx C 13 20.8 0.2 A 52 VAL CGy C 13 22 0.2 A 52 VAL N N 15 123.1 0.2 A 53 LEU H H 1 9.32 0.02 A 53 LEU HA H 1 4.98 0.02 A 53 LEU HBy H 1 2.22 0.02 A 53 LEU HBx H 1 1.1 0.02 A 53 LEU HDx% H 1 0.55 0.02 A 53 LEU HDy% H 1 0.79 0.02 A 53 LEU HG H 1 1.51 0.02 A 53 LEU C C 13 175.2 0.2 A 53 LEU CA C 13 54 0.2 A 53 LEU CB C 13 45.3 0.2 A 53 LEU CDx C 13 23.8 0.2 A 53 LEU CDy C 13 26.1 0.2 A 53 LEU CG C 13 27 0.2 A 53 LEU N N 15 130.7 0.2 A 54 TYR H H 1 9.26 0.02 A 54 TYR HA H 1 4.91 0.02 A 54 TYR HBy H 1 3.14 0.02 A 54 TYR HBx H 1 2.62 0.02 A 54 TYR HDx H 1 7 0.02 A 54 TYR HDy H 1 7 0.02 A 54 TYR HEx H 1 6.81 0.02 A 54 TYR HEy H 1 6.81 0.02 A 54 TYR C C 13 175.4 0.2 A 54 TYR CA C 13 58.7 0.2 A 54 TYR CB C 13 41.7 0.2 A 54 TYR CDx C 13 132.8 0.2 A 54 TYR CDy C 13 132.8 0.2 A 54 TYR CEx C 13 118.7 0.2 A 54 TYR CEy C 13 118.7 0.2 A 54 TYR N N 15 125.7 0.2 A 55 GLN H H 1 9.75 0.02 A 55 GLN HA H 1 3.7 0.02 A 55 GLN HBy H 1 1.92 0.02 A 55 GLN HBx H 1 1.8 0.02 A 55 GLN HE2y H 1 7.45 0.02 A 55 GLN HE2x H 1 6.74 0.02 A 55 GLN HGy H 1 1.71 0.02 A 55 GLN HGx H 1 1.14 0.02 A 55 GLN C C 13 175.9 0.2 A 55 GLN CA C 13 56.7 0.2 A 55 GLN CB C 13 25.6 0.2 A 55 GLN CG C 13 33.3 0.2 A 55 GLN N N 15 129.9 0.2 A 55 GLN NE2 N 15 112.6 0.2 A 56 LYS H H 1 8.92 0.02 A 56 LYS HA H 1 3.44 0.02 A 56 LYS HBy H 1 2.07 0.02 A 56 LYS HBx H 1 1.93 0.02 A 56 LYS HEx H 1 2.97 0.02 A 56 LYS HEy H 1 2.97 0.02 A 56 LYS HGx H 1 1.32 0.02 A 56 LYS HGy H 1 1.32 0.02 A 56 LYS C C 13 174.8 0.2 A 56 LYS CA C 13 58.4 0.2 A 56 LYS CB C 13 29.8 0.2 A 56 LYS CE C 13 42.4 0.2 A 56 LYS CG C 13 25.6 0.2 A 56 LYS N N 15 107.6 0.2 A 57 HIS H H 1 7.98 0.02 A 57 HIS HA H 1 4.9 0.02 A 57 HIS HBx H 1 3.11 0.02 A 57 HIS HBy H 1 3.11 0.02 A 57 HIS HD2 H 1 6.79 0.02 A 57 HIS HE1 H 1 8.40 0.02 A 57 HIS C C 13 173.4 0.2 A 57 HIS CA C 13 54.3 0.2 A 57 HIS CB C 13 31.9 0.2 A 57 HIS CD2 C 13 120.6 0.2 A 57 HIS N N 15 118.2 0.2 A 57 HIS ND1 N 15 184.3 0.2 A 57 HIS NE2 N 15 177.4 0.2 A 58 VAL H H 1 8.8 0.02 A 58 VAL HA H 1 4.34 0.02 A 58 VAL HB H 1 1.9 0.02 A 58 VAL HGx% H 1 0.72 0.02 A 58 VAL HGy% H 1 0.89 0.02 A 58 VAL C C 13 175.7 0.2 A 58 VAL CA C 13 63.1 0.2 A 58 VAL CB C 13 32 0.2 A 58 VAL CGx C 13 22 0.2 A 58 VAL CGy C 13 23.4 0.2 A 58 VAL N N 15 124.5 0.2 A 59 HIS H H 1 9.83 0.02 A 59 HIS HA H 1 4.52 0.02 A 59 HIS HBy H 1 3.1 0.02 A 59 HIS HBx H 1 2.82 0.02 A 59 HIS HD2 H 1 7.34 0.02 A 59 HIS C C 13 174.1 0.2 A 59 HIS CA C 13 55.7 0.2 A 59 HIS CB C 13 32.2 0.2 A 59 HIS CD2 C 13 121.1 0.2 A 59 HIS N N 15 132.2 0.2 A 60 THR H H 1 8.42 0.02 A 60 THR HA H 1 5.28 0.02 A 60 THR HB H 1 3.79 0.02 A 60 THR HG2% H 1 1.1 0.02 A 60 THR C C 13 173.7 0.2 A 60 THR CA C 13 62.1 0.2 A 60 THR CB C 13 70.3 0.2 A 60 THR CG2 C 13 22 0.2 A 60 THR N N 15 119.3 0.2 A 61 TYR H H 1 9.81 0.02 A 61 TYR HA H 1 4.8 0.02 A 61 TYR HBy H 1 2.85 0.02 A 61 TYR HBx H 1 2.66 0.02 A 61 TYR HDx H 1 7.02 0.02 A 61 TYR HDy H 1 7.02 0.02 A 61 TYR HEx H 1 6.73 0.02 A 61 TYR HEy H 1 6.73 0.02 A 61 TYR C C 13 175 0.2 A 61 TYR CA C 13 56.5 0.2 A 61 TYR CB C 13 40.9 0.2 A 61 TYR CDx C 13 133.6 0.2 A 61 TYR CDy C 13 133.6 0.2 A 61 TYR CEx C 13 118.4 0.2 A 61 TYR CEy C 13 118.4 0.2 A 61 TYR N N 15 127 0.2 A 62 ARG H H 1 9.24 0.02 A 62 ARG HA H 1 4.71 0.02 A 62 ARG HBy H 1 1.92 0.02 A 62 ARG HBx H 1 1.8 0.02 A 62 ARG HDx H 1 3.24 0.02 A 62 ARG HDy H 1 3.24 0.02 A 62 ARG HGy H 1 1.85 0.02 A 62 ARG HGx H 1 1.68 0.02 A 62 ARG C C 13 175 0.2 A 62 ARG CA C 13 56.9 0.2 A 62 ARG CB C 13 31.5 0.2 A 62 ARG CD C 13 43.8 0.2 A 62 ARG CG C 13 27.5 0.2 A 62 ARG N N 15 124.2 0.2 A 63 ILE H H 1 8.81 0.02 A 63 ILE HA H 1 4.76 0.02 A 63 ILE HB H 1 1.97 0.02 A 63 ILE HD1% H 1 0.73 0.02 A 63 ILE HG1y H 1 1.67 0.02 A 63 ILE HG1x H 1 0.86 0.02 A 63 ILE HG2% H 1 0.85 0.02 A 63 ILE C C 13 174.9 0.2 A 63 ILE CA C 13 60.5 0.2 A 63 ILE CB C 13 39.6 0.2 A 63 ILE CD1 C 13 15.3 0.2 A 63 ILE CG1 C 13 26.6 0.2 A 63 ILE CG2 C 13 19.8 0.2 A 63 ILE N N 15 124.1 0.2 A 64 LEU H H 1 8.66 0.02 A 64 LEU HA H 1 5.2 0.02 A 64 LEU HBy H 1 1.74 0.02 A 64 LEU HBx H 1 1.67 0.02 A 64 LEU HDx% H 1 0.97 0.02 A 64 LEU HDy% H 1 0.85 0.02 A 64 LEU HG H 1 1.67 0.02 A 64 LEU CA C 13 51.6 0.2 A 64 LEU CB C 13 44.2 0.2 A 64 LEU CDy C 13 25.4 0.2 A 64 LEU CDx C 13 22.7 0.2 A 64 LEU CG C 13 27.6 0.2 A 64 LEU N N 15 126.2 0.2 A 65 PRO HA H 1 5.23 0.02 A 65 PRO HBy H 1 2.3 0.02 A 65 PRO HBx H 1 2.11 0.02 A 65 PRO HDx H 1 3.76 0.02 A 65 PRO HDy H 1 3.76 0.02 A 65 PRO HGy H 1 2.19 0.02 A 65 PRO HGx H 1 2.01 0.02 A 65 PRO C C 13 177 0.2 A 65 PRO CA C 13 62.5 0.2 A 65 PRO CB C 13 32.3 0.2 A 65 PRO CD C 13 50.7 0.2 A 65 PRO CG C 13 27.4 0.2 A 66 ASP H H 1 8.65 0.02 A 66 ASP HA H 1 4.9 0.02 A 66 ASP HBy H 1 2.8 0.02 A 66 ASP HBx H 1 2.58 0.02 A 66 ASP C C 13 177.2 0.2 A 66 ASP CA C 13 52.6 0.2 A 66 ASP CB C 13 43 0.2 A 66 ASP N N 15 124.5 0.2 A 67 GLY H H 1 8.42 0.02 A 67 GLY HAy H 1 4.09 0.02 A 67 GLY HAx H 1 3.91 0.02 A 67 GLY C C 13 174.7 0.2 A 67 GLY CA C 13 45.9 0.2 A 67 GLY N N 15 108.3 0.2 A 68 GLU H H 1 8.58 0.02 A 68 GLU HA H 1 4.34 0.02 A 68 GLU HBy H 1 2.25 0.02 A 68 GLU HBx H 1 1.96 0.02 A 68 GLU HGx H 1 2.24 0.02 A 68 GLU HGy H 1 2.24 0.02 A 68 GLU C C 13 176.1 0.2 A 68 GLU CA C 13 56.8 0.2 A 68 GLU CB C 13 30.3 0.2 A 68 GLU CG C 13 37 0.2 A 68 GLU N N 15 120.3 0.2 A 69 ASP H H 1 8.36 0.02 A 69 ASP HA H 1 4.52 0.02 A 69 ASP HBy H 1 2.78 0.02 A 69 ASP HBx H 1 2.69 0.02 A 69 ASP C C 13 175.5 0.2 A 69 ASP CA C 13 55.9 0.2 A 69 ASP CB C 13 40.6 0.2 A 69 ASP N N 15 115 0.2 A 70 PHE H H 1 8.12 0.02 A 70 PHE HA H 1 4.99 0.02 A 70 PHE HBy H 1 3.41 0.02 A 70 PHE HBx H 1 2.78 0.02 A 70 PHE HDx H 1 7.08 0.02 A 70 PHE HDy H 1 7.08 0.02 A 70 PHE HEx H 1 6.85 0.02 A 70 PHE HEy H 1 6.85 0.02 A 70 PHE C C 13 175.7 0.2 A 70 PHE CA C 13 57.6 0.2 A 70 PHE CB C 13 41.7 0.2 A 70 PHE CDx C 13 131.6 0.2 A 70 PHE CDy C 13 131.6 0.2 A 70 PHE N N 15 117.2 0.2 A 71 LEU H H 1 9.33 0.02 A 71 LEU HA H 1 4.95 0.02 A 71 LEU HBy H 1 1.46 0.02 A 71 LEU HBx H 1 1.11 0.02 A 71 LEU HDx% H 1 0.59 0.02 A 71 LEU HDy% H 1 0.82 0.02 A 71 LEU C C 13 175.9 0.2 A 71 LEU CA C 13 53.9 0.2 A 71 LEU CB C 13 45.7 0.2 A 71 LEU CDy C 13 25.9 0.2 A 71 LEU CDx C 13 22.6 0.2 A 71 LEU N N 15 120.9 0.2 A 72 ALA H H 1 8.67 0.02 A 72 ALA HA H 1 5.21 0.02 A 72 ALA HB% H 1 1.39 0.02 A 72 ALA C C 13 176.9 0.2 A 72 ALA CA C 13 51.5 0.2 A 72 ALA CB C 13 23 0.2 A 72 ALA N N 15 121.5 0.2 A 73 VAL H H 1 9.31 0.02 A 73 VAL HA H 1 4.58 0.02 A 73 VAL HB H 1 2.03 0.02 A 73 VAL HGx% H 1 0.82 0.02 A 73 VAL HGy% H 1 0.8 0.02 A 73 VAL C C 13 175.1 0.2 A 73 VAL CA C 13 61.8 0.2 A 73 VAL CB C 13 33.8 0.2 A 73 VAL CGx C 13 21.3 0.2 A 73 VAL CGy C 13 23.1 0.2 A 73 VAL N N 15 122.7 0.2 A 74 GLN H H 1 9.09 0.02 A 74 GLN HA H 1 4.71 0.02 A 74 GLN HBy H 1 2.31 0.02 A 74 GLN HBx H 1 2 0.02 A 74 GLN HE2y H 1 7.61 0.02 A 74 GLN HE2x H 1 7.01 0.02 A 74 GLN HGy H 1 2.42 0.02 A 74 GLN HGx H 1 2.37 0.02 A 74 GLN C C 13 175.9 0.2 A 74 GLN CA C 13 55.1 0.2 A 74 GLN CB C 13 29.7 0.2 A 74 GLN CG C 13 34.1 0.2 A 74 GLN N N 15 128.6 0.2 A 74 GLN NE2 N 15 113.1 0.2 A 75 THR H H 1 8.51 0.02 A 75 THR HA H 1 4.49 0.02 A 75 THR HB H 1 4.38 0.02 A 75 THR HG2% H 1 1.11 0.02 A 75 THR C C 13 174.7 0.2 A 75 THR CA C 13 62.2 0.2 A 75 THR CB C 13 69.8 0.2 A 75 THR CG2 C 13 22.1 0.2 A 75 THR N N 15 117.7 0.2 A 76 SER H H 1 8.25 0.02 A 76 SER HA H 1 4.54 0.02 A 76 SER HBx H 1 3.97 0.02 A 76 SER HBy H 1 3.97 0.02 A 76 SER HG H 1 5.57 0.02 A 76 SER C C 13 174.2 0.2 A 76 SER CA C 13 58.6 0.2 A 76 SER CB C 13 64.2 0.2 A 76 SER N N 15 115.3 0.2 A 77 GLN H H 1 8.51 0.02 A 77 GLN HA H 1 4.22 0.02 A 77 GLN HBy H 1 2.13 0.02 A 77 GLN HBx H 1 2.05 0.02 A 77 GLN HE2y H 1 7.56 0.02 A 77 GLN HE2x H 1 6.87 0.02 A 77 GLN HGx H 1 2.42 0.02 A 77 GLN HGy H 1 2.42 0.02 A 77 GLN C C 13 176.9 0.2 A 77 GLN CA C 13 57.3 0.2 A 77 GLN CB C 13 28.9 0.2 A 77 GLN CG C 13 34 0.2 A 77 GLN N N 15 120.5 0.2 A 77 GLN NE2 N 15 112.3 0.2 A 78 GLY H H 1 8.61 0.02 A 78 GLY HAy H 1 4.08 0.02 A 78 GLY HAx H 1 3.81 0.02 A 78 GLY C C 13 173.8 0.2 A 78 GLY CA C 13 45.5 0.2 A 78 GLY N N 15 110.3 0.2 A 79 VAL H H 1 7.4 0.02 A 79 VAL HA H 1 4.55 0.02 A 79 VAL HB H 1 2.17 0.02 A 79 VAL HGx% H 1 0.99 0.02 A 79 VAL HGy% H 1 0.9 0.02 A 79 VAL CA C 13 59.5 0.2 A 79 VAL CB C 13 32.8 0.2 A 79 VAL CGy C 13 21.1 0.2 A 79 VAL CGx C 13 20.5 0.2 A 79 VAL N N 15 119.5 0.2 A 80 PRO HA H 1 4.42 0.02 A 80 PRO HBy H 1 2.32 0.02 A 80 PRO HBx H 1 1.8 0.02 A 80 PRO HDy H 1 3.93 0.02 A 80 PRO HDx H 1 3.66 0.02 A 80 PRO HGy H 1 2.05 0.02 A 80 PRO HGx H 1 1.97 0.02 A 80 PRO C C 13 176.9 0.2 A 80 PRO CA C 13 63.3 0.2 A 80 PRO CB C 13 32.3 0.2 A 80 PRO CD C 13 51.2 0.2 A 80 PRO CG C 13 27.7 0.2 A 81 VAL H H 1 8.39 0.02 A 81 VAL HA H 1 4.04 0.02 A 81 VAL HB H 1 1.98 0.02 A 81 VAL HGx% H 1 0.91 0.02 A 81 VAL HGy% H 1 0.99 0.02 A 81 VAL C C 13 175.8 0.2 A 81 VAL CA C 13 63 0.2 A 81 VAL CB C 13 32.8 0.2 A 81 VAL CGy C 13 21.4 0.2 A 81 VAL CGx C 13 21.2 0.2 A 81 VAL N N 15 121.6 0.2 A 82 ARG H H 1 8.17 0.02 A 82 ARG HA H 1 4.45 0.02 A 82 ARG HBy H 1 1.76 0.02 A 82 ARG HBx H 1 1.68 0.02 A 82 ARG HDx H 1 3.12 0.02 A 82 ARG HDy H 1 3.12 0.02 A 82 ARG HE H 1 7.08 0.02 A 82 ARG HGy H 1 1.56 0.02 A 82 ARG HGx H 1 1.4 0.02 A 82 ARG C C 13 173.9 0.2 A 82 ARG CA C 13 55 0.2 A 82 ARG CB C 13 32.3 0.2 A 82 ARG CD C 13 43.4 0.2 A 82 ARG CG C 13 27.3 0.2 A 82 ARG N N 15 125.4 0.2 A 82 ARG NE N 15 84.5 0.2 A 83 ARG H H 1 8.06 0.02 A 83 ARG HA H 1 5.33 0.02 A 83 ARG HBx H 1 1.53 0.02 A 83 ARG HBy H 1 1.53 0.02 A 83 ARG HDx H 1 2.78 0.02 A 83 ARG HDy H 1 2.78 0.02 A 83 ARG HE H 1 6.95 0.02 A 83 ARG HGy H 1 1.37 0.02 A 83 ARG HGx H 1 1.31 0.02 A 83 ARG C C 13 175.6 0.2 A 83 ARG CA C 13 54.5 0.2 A 83 ARG CB C 13 33.5 0.2 A 83 ARG CD C 13 43.6 0.2 A 83 ARG CG C 13 27.1 0.2 A 83 ARG N N 15 121.2 0.2 A 83 ARG NE N 15 83.8 0.2 A 84 PHE H H 1 9.32 0.02 A 84 PHE HA H 1 4.95 0.02 A 84 PHE HBy H 1 3.27 0.02 A 84 PHE HBx H 1 2.59 0.02 A 84 PHE HDx H 1 7.21 0.02 A 84 PHE HDy H 1 7.21 0.02 A 84 PHE C C 13 175.2 0.2 A 84 PHE CA C 13 57.1 0.2 A 84 PHE CB C 13 44.5 0.2 A 84 PHE CDx C 13 132.5 0.2 A 84 PHE CDy C 13 132.5 0.2 A 84 PHE N N 15 118.6 0.2 A 85 GLN H H 1 9.66 0.02 A 85 GLN HA H 1 4.05 0.02 A 85 GLN HBy H 1 2.14 0.02 A 85 GLN HBx H 1 2.06 0.02 A 85 GLN HE2y H 1 7.38 0.02 A 85 GLN HE2x H 1 6.74 0.02 A 85 GLN HGy H 1 2.26 0.02 A 85 GLN HGx H 1 1.99 0.02 A 85 GLN C C 13 176 0.2 A 85 GLN CA C 13 58.4 0.2 A 85 GLN CB C 13 30.3 0.2 A 85 GLN CG C 13 35.3 0.2 A 85 GLN N N 15 120.8 0.2 A 85 GLN NE2 N 15 112.3 0.2 A 86 THR H H 1 7.26 0.02 A 86 THR HA H 1 4.81 0.02 A 86 THR HB H 1 4.56 0.02 A 86 THR HG2% H 1 1.17 0.02 A 86 THR C C 13 174.5 0.2 A 86 THR CA C 13 58.7 0.2 A 86 THR CB C 13 73.4 0.2 A 86 THR CG2 C 13 22 0.2 A 86 THR N N 15 103 0.2 A 87 LEU H H 1 9.15 0.02 A 87 LEU HA H 1 3.83 0.02 A 87 LEU HBx H 1 1.35 0.02 A 87 LEU HBy H 1 1.35 0.02 A 87 LEU HDx% H 1 0.6 0.02 A 87 LEU HDy% H 1 0.08 0.02 A 87 LEU HG H 1 1.29 0.02 A 87 LEU C C 13 178.6 0.2 A 87 LEU CA C 13 57.1 0.2 A 87 LEU CB C 13 42.4 0.2 A 87 LEU CDy C 13 25.9 0.2 A 87 LEU CDx C 13 24.1 0.2 A 87 LEU CG C 13 26.6 0.2 A 87 LEU N N 15 122.2 0.2 A 88 GLY H H 1 8.87 0.02 A 88 GLY HAy H 1 4.07 0.02 A 88 GLY HAx H 1 3.8 0.02 A 88 GLY C C 13 176.9 0.2 A 88 GLY CA C 13 47.4 0.2 A 88 GLY N N 15 105.2 0.2 A 89 GLU H H 1 7.67 0.02 A 89 GLU HA H 1 3.93 0.02 A 89 GLU HBy H 1 2.22 0.02 A 89 GLU HBx H 1 2.14 0.02 A 89 GLU HGx H 1 2.32 0.02 A 89 GLU HGy H 1 2.32 0.02 A 89 GLU C C 13 177.6 0.2 A 89 GLU CA C 13 58.9 0.2 A 89 GLU CB C 13 31 0.2 A 89 GLU CG C 13 37.3 0.2 A 89 GLU N N 15 122 0.2 A 90 LEU H H 1 6.88 0.02 A 90 LEU HA H 1 2.43 0.02 A 90 LEU HBy H 1 1.52 0.02 A 90 LEU HBx H 1 1.02 0.02 A 90 LEU HDx% H 1 0.7 0.02 A 90 LEU HDy% H 1 0.46 0.02 A 90 LEU HG H 1 1.24 0.02 A 90 LEU C C 13 177.2 0.2 A 90 LEU CA C 13 58.7 0.2 A 90 LEU CB C 13 42.1 0.2 A 90 LEU CDy C 13 28.2 0.2 A 90 LEU CDx C 13 25.1 0.2 A 90 LEU CG C 13 27.1 0.2 A 90 LEU N N 15 122.3 0.2 A 91 ILE H H 1 7.88 0.02 A 91 ILE HA H 1 3.11 0.02 A 91 ILE HB H 1 1.44 0.02 A 91 ILE HD1% H 1 -0.1 0.02 A 91 ILE HG1y H 1 0.8 0.02 A 91 ILE HG1x H 1 -0.26 0.02 A 91 ILE HG2% H 1 -0.01 0.02 A 91 ILE C C 13 177.7 0.2 A 91 ILE CA C 13 61.4 0.2 A 91 ILE CB C 13 35.4 0.2 A 91 ILE CD1 C 13 9.9 0.2 A 91 ILE CG1 C 13 26.6 0.2 A 91 ILE CG2 C 13 17.3 0.2 A 91 ILE N N 15 118.8 0.2 A 92 GLY H H 1 7.57 0.02 A 92 GLY HAx H 1 3.66 0.02 A 92 GLY HAy H 1 3.66 0.02 A 92 GLY C C 13 176.4 0.2 A 92 GLY CA C 13 46.8 0.2 A 92 GLY N N 15 103.9 0.2 A 93 LEU H H 1 7.36 0.02 A 93 LEU HA H 1 4.08 0.02 A 93 LEU HBy H 1 1.55 0.02 A 93 LEU HBx H 1 1.41 0.02 A 93 LEU HDx% H 1 0.55 0.02 A 93 LEU HDy% H 1 0.65 0.02 A 93 LEU HG H 1 1.38 0.02 A 93 LEU C C 13 179.1 0.2 A 93 LEU CA C 13 57.4 0.2 A 93 LEU CB C 13 40.8 0.2 A 93 LEU CDy C 13 23.6 0.2 A 93 LEU CDx C 13 23.5 0.2 A 93 LEU CG C 13 27.3 0.2 A 93 LEU N N 15 123.2 0.2 A 94 TYR H H 1 7.38 0.02 A 94 TYR HA H 1 4.23 0.02 A 94 TYR HBy H 1 3.05 0.02 A 94 TYR HBx H 1 2.25 0.02 A 94 TYR HDx H 1 6.89 0.02 A 94 TYR HDy H 1 6.89 0.02 A 94 TYR HEx H 1 6.54 0.02 A 94 TYR HEy H 1 6.54 0.02 A 94 TYR C C 13 175.6 0.2 A 94 TYR CA C 13 60.2 0.2 A 94 TYR CB C 13 36.6 0.2 A 94 TYR CDx C 13 132.7 0.2 A 94 TYR CDy C 13 132.7 0.2 A 94 TYR CEx C 13 117.3 0.2 A 94 TYR CEy C 13 117.3 0.2 A 94 TYR N N 15 114 0.2 A 95 ALA H H 1 7.33 0.02 A 95 ALA HA H 1 4.36 0.02 A 95 ALA HB% H 1 1.44 0.02 A 95 ALA C C 13 177.3 0.2 A 95 ALA CA C 13 53.9 0.2 A 95 ALA CB C 13 19 0.2 A 95 ALA N N 15 123.1 0.2 A 96 GLN H H 1 7.62 0.02 A 96 GLN HA H 1 4.54 0.02 A 96 GLN HBy H 1 2.15 0.02 A 96 GLN HBx H 1 2.04 0.02 A 96 GLN HE2y H 1 7.41 0.02 A 96 GLN HE2x H 1 6.85 0.02 A 96 GLN HGy H 1 2.5 0.02 A 96 GLN HGx H 1 2.4 0.02 A 96 GLN CA C 13 53 0.2 A 96 GLN CB C 13 28.6 0.2 A 96 GLN CG C 13 33.9 0.2 A 96 GLN N N 15 116.5 0.2 A 96 GLN NE2 N 15 112 0.2 A 97 PRO HA H 1 4.24 0.02 A 97 PRO HBy H 1 2.25 0.02 A 97 PRO HBx H 1 1.89 0.02 A 97 PRO HDy H 1 3.77 0.02 A 97 PRO HDx H 1 3.65 0.02 A 97 PRO HGx H 1 1.99 0.02 A 97 PRO HGy H 1 1.99 0.02 A 97 PRO C C 13 176.8 0.2 A 97 PRO CA C 13 62.8 0.2 A 97 PRO CB C 13 32.8 0.2 A 97 PRO CD C 13 50.1 0.2 A 97 PRO CG C 13 27.3 0.2 A 98 ASN H H 1 8.96 0.02 A 98 ASN HA H 1 4.48 0.02 A 98 ASN HBy H 1 2.96 0.02 A 98 ASN HBx H 1 2.83 0.02 A 98 ASN HD2y H 1 7.63 0.02 A 98 ASN HD2x H 1 6.91 0.02 A 98 ASN C C 13 175.1 0.2 A 98 ASN CA C 13 54.3 0.2 A 98 ASN CB C 13 36.9 0.2 A 98 ASN N N 15 114.9 0.2 A 98 ASN ND2 N 15 114 0.2 A 99 GLN H H 1 8.61 0.02 A 99 GLN HA H 1 4.5 0.02 A 99 GLN HBy H 1 2.31 0.02 A 99 GLN HBx H 1 1.77 0.02 A 99 GLN HE2y H 1 6.69 0.02 A 99 GLN HE2x H 1 6.6 0.02 A 99 GLN HGy H 1 2.12 0.02 A 99 GLN HGx H 1 2.07 0.02 A 99 GLN C C 13 176.1 0.2 A 99 GLN CA C 13 54.3 0.2 A 99 GLN CB C 13 29.6 0.2 A 99 GLN CG C 13 32.6 0.2 A 99 GLN N N 15 115.4 0.2 A 99 GLN NE2 N 15 112.2 0.2 A 100 GLY H H 1 8.46 0.02 A 100 GLY HAy H 1 4.43 0.02 A 100 GLY HAx H 1 3.58 0.02 A 100 GLY C C 13 174.6 0.2 A 100 GLY CA C 13 45.4 0.2 A 100 GLY N N 15 107.4 0.2 A 101 LEU H H 1 8.02 0.02 A 101 LEU HA H 1 4.38 0.02 A 101 LEU HBy H 1 1.72 0.02 A 101 LEU HBx H 1 1.02 0.02 A 101 LEU HDx% H 1 -0.01 0.02 A 101 LEU HDy% H 1 -0.55 0.02 A 101 LEU HG H 1 1.03 0.02 A 101 LEU C C 13 178 0.2 A 101 LEU CA C 13 52.9 0.2 A 101 LEU CB C 13 42.4 0.2 A 101 LEU CDy C 13 24.9 0.2 A 101 LEU CDx C 13 19.7 0.2 A 101 LEU CG C 13 27 0.2 A 101 LEU N N 15 118.4 0.2 A 102 VAL H H 1 7.26 0.02 A 102 VAL HA H 1 3.59 0.02 A 102 VAL HB H 1 1.52 0.02 A 102 VAL HGx% H 1 0.52 0.02 A 102 VAL HGy% H 1 0.36 0.02 A 102 VAL C C 13 173.6 0.2 A 102 VAL CA C 13 63.6 0.2 A 102 VAL CB C 13 31.1 0.2 A 102 VAL CGy C 13 20.3 0.2 A 102 VAL CGx C 13 19.4 0.2 A 102 VAL N N 15 114.7 0.2 A 103 CYS H H 1 6.92 0.02 A 103 CYS HA H 1 4.24 0.02 A 103 CYS HBy H 1 2.9 0.02 A 103 CYS HBx H 1 2.15 0.02 A 103 CYS C C 13 170.6 0.2 A 103 CYS CA C 13 56.1 0.2 A 103 CYS CB C 13 29.6 0.2 A 103 CYS N N 15 112.4 0.2 A 104 ALA H H 1 7.84 0.02 A 104 ALA HA H 1 4.21 0.02 A 104 ALA HB% H 1 1.02 0.02 A 104 ALA C C 13 176.3 0.2 A 104 ALA CA C 13 51.6 0.2 A 104 ALA CB C 13 19.4 0.2 A 104 ALA N N 15 119.6 0.2 A 105 LEU H H 1 7.61 0.02 A 105 LEU HA H 1 3.78 0.02 A 105 LEU HBy H 1 0.82 0.02 A 105 LEU HBx H 1 -0.59 0.02 A 105 LEU HDx% H 1 0.01 0.02 A 105 LEU HDy% H 1 0.17 0.02 A 105 LEU HG H 1 1.16 0.02 A 105 LEU C C 13 175.4 0.2 A 105 LEU CA C 13 53.6 0.2 A 105 LEU CB C 13 37.4 0.2 A 105 LEU CDy C 13 27.3 0.2 A 105 LEU CDx C 13 21.9 0.2 A 105 LEU CG C 13 24.8 0.2 A 105 LEU N N 15 117.1 0.2 A 106 LEU H H 1 8.16 0.02 A 106 LEU HA H 1 4.6 0.02 A 106 LEU HBx H 1 1.63 0.02 A 106 LEU HBy H 1 1.63 0.02 A 106 LEU HDx% H 1 0.98 0.02 A 106 LEU HDy% H 1 0.88 0.02 A 106 LEU HG H 1 1.6 0.02 A 106 LEU C C 13 177.6 0.2 A 106 LEU CA C 13 56.3 0.2 A 106 LEU CB C 13 46 0.2 A 106 LEU CDy C 13 24.8 0.2 A 106 LEU CDx C 13 23.6 0.2 A 106 LEU CG C 13 26.5 0.2 A 106 LEU N N 15 124.7 0.2 A 107 LEU H H 1 7.93 0.02 A 107 LEU HA H 1 5.11 0.02 A 107 LEU HBx H 1 1.59 0.02 A 107 LEU HBy H 1 1.59 0.02 A 107 LEU HDx% H 1 0.89 0.02 A 107 LEU HDy% H 1 0.92 0.02 A 107 LEU HG H 1 1.44 0.02 A 107 LEU CA C 13 51.7 0.2 A 107 LEU CB C 13 44.6 0.2 A 107 LEU CDy C 13 26 0.2 A 107 LEU CDx C 13 24.1 0.2 A 107 LEU CG C 13 26.6 0.2 A 107 LEU N N 15 121.4 0.2 A 108 PRO HA H 1 3.43 0.02 A 108 PRO HBx H 1 1.91 0.02 A 108 PRO HBy H 1 1.91 0.02 A 108 PRO HDy H 1 3.96 0.02 A 108 PRO HDx H 1 3.77 0.02 A 108 PRO HGy H 1 2.21 0.02 A 108 PRO HGx H 1 2.13 0.02 A 108 PRO C C 13 176.5 0.2 A 108 PRO CA C 13 62.4 0.2 A 108 PRO CB C 13 32.8 0.2 A 108 PRO CD C 13 50.8 0.2 A 108 PRO CG C 13 27.1 0.2 A 109 VAL H H 1 8.26 0.02 A 109 VAL HA H 1 4.04 0.02 A 109 VAL HB H 1 1.79 0.02 A 109 VAL HGx% H 1 0.82 0.02 A 109 VAL HGy% H 1 0.82 0.02 A 109 VAL CA C 13 63.5 0.2 A 109 VAL CB C 13 34 0.2 A 109 VAL CGx C 13 22.3 0.2 A 109 VAL CGy C 13 22.5 0.2 A 109 VAL N N 15 128.6 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 12 SER HA A 12 SER HBx 1.0 1.8 2.7 2 1 A 12 SER HA A 12 SER HBy 1.0 1.8 2.7 3 2 A 13 TRP H A 12 SER HBx 1.0 1.8 5.0 4 2 A 12 SER HBy A 13 TRP H 1.0 1.8 5.0 5 3 A 13 TRP H A 108 PRO HBx 1.0 1.8 5.0 6 3 A 13 TRP H A 108 PRO HBy 1.0 1.8 5.0 7 4 A 13 TRP H A 108 PRO HGy 1.0 1.8 6.0 8 4 A 13 TRP H A 108 PRO HGx 1.0 1.8 6.0 9 5 A 13 TRP H A 13 TRP HD1 1.0 1.8 5.0 10 6 A 13 TRP H A 13 TRP HBx 1.0 1.8 5.0 11 6 A 13 TRP H A 13 TRP HBy 1.0 1.8 5.0 12 7 A 13 TRP H A 14 TYR H 1.0 1.8 3.5 13 8 A 13 TRP HA A 108 PRO HBx 1.0 1.8 6.0 14 8 A 108 PRO HBy A 13 TRP HA 1.0 1.8 6.0 15 9 A 13 TRP HA A 37 LEU HBy 1.0 1.8 5.0 16 9 A 13 TRP HA A 37 LEU HBx 1.0 1.8 5.0 17 10 A 13 TRP HBy A 37 LEU HA 1.0 1.8 5.0 18 11 A 37 LEU HA A 13 TRP HBx 1.0 1.8 5.0 19 12 A 13 TRP HD1 A 108 PRO HGy 1.0 1.8 5.0 20 13 A 108 PRO HGx A 13 TRP HD1 1.0 1.8 5.0 21 14 A 13 TRP HD1 A 108 PRO HBx 1.0 1.8 5.0 22 14 A 108 PRO HBy A 13 TRP HD1 1.0 1.8 5.0 23 15 A 13 TRP HD1 A 108 PRO HGy 1.0 1.8 5.0 24 15 A 108 PRO HGx A 13 TRP HD1 1.0 1.8 5.0 25 16 A 13 TRP HE1 A 108 PRO HBx 1.0 1.8 6.0 26 16 A 108 PRO HBy A 13 TRP HE1 1.0 1.8 6.0 27 17 A 13 TRP HE1 A 108 PRO HGy 1.0 1.8 6.0 28 17 A 108 PRO HGx A 13 TRP HE1 1.0 1.8 6.0 29 18 A 13 TRP HE3 A 14 TYR HA 1.0 1.8 5.0 30 19 A 37 LEU HA A 13 TRP HE3 1.0 1.8 6.0 31 20 A 13 TRP HE3 A 38 VAL H 1.0 1.8 5.0 32 21 A 13 TRP HE3 A 38 VAL HB 1.0 1.8 5.0 33 22 A 13 TRP HE3 A 38 VAL HGx% 1.0 1.8 5.0 34 23 A 13 TRP HE3 A 38 VAL HGy% 1.0 1.8 5.0 35 24 A 13 TRP HH2 A 87 LEU HBx 1.0 1.8 5.0 36 24 A 13 TRP HH2 A 87 LEU HBy 1.0 1.8 5.0 37 25 A 38 VAL HB A 13 TRP HZ3 1.0 1.8 5.0 38 26 A 38 VAL HGx% A 13 TRP HZ3 1.0 1.8 5.0 39 27 A 38 VAL HGy% A 13 TRP HZ3 1.0 1.8 5.0 40 28 A 13 TRP HZ3 A 87 LEU HDy% 1.0 1.8 5.0 41 29 A 108 PRO HA A 13 TRP HBx 1.0 1.8 6.0 42 29 A 13 TRP HBy A 108 PRO HA 1.0 1.8 6.0 43 30 A 13 TRP HBy A 108 PRO HBx 1.0 1.8 5.0 44 30 A 13 TRP HBx A 108 PRO HBx 1.0 1.8 5.0 45 30 A 108 PRO HBy A 13 TRP HBx 1.0 1.8 5.0 46 30 A 108 PRO HBy A 13 TRP HBy 1.0 1.8 5.0 47 31 A 37 LEU HA A 13 TRP HBx 1.0 1.8 5.0 48 31 A 13 TRP HBy A 37 LEU HA 1.0 1.8 5.0 49 32 A 13 TRP HBy A 37 LEU HBy 1.0 1.8 5.0 50 32 A 13 TRP HBx A 37 LEU HBy 1.0 1.8 5.0 51 32 A 37 LEU HBx A 13 TRP HBx 1.0 1.8 5.0 52 32 A 13 TRP HBy A 37 LEU HBx 1.0 1.8 5.0 53 33 A 38 VAL H A 13 TRP HBx 1.0 1.8 5.0 54 33 A 13 TRP HBy A 38 VAL H 1.0 1.8 5.0 55 34 A 38 VAL HGy% A 13 TRP HBx 1.0 1.8 6.0 56 34 A 13 TRP HBy A 38 VAL HGy% 1.0 1.8 6.0 57 35 A 14 TYR H A 14 TYR HBy 1.0 1.8 5.0 58 36 A 14 TYR H A 14 TYR HBx 1.0 1.8 5.0 59 37 A 14 TYR H A 38 VAL H 1.0 1.8 6.0 60 38 A 14 TYR HA A 14 TYR HD% 1.0 1.8 5.0 61 39 A 14 TYR HA A 38 VAL H 1.0 1.8 5.0 62 40 A 14 TYR HA A 38 VAL HB 1.0 1.8 5.0 63 41 A 14 TYR HA A 38 VAL HGx% 1.0 1.8 5.0 64 42 A 14 TYR HA A 38 VAL HGy% 1.0 1.8 5.0 65 43 A 14 TYR HD% A 15 HIS H 1.0 1.8 5.0 66 44 A 38 VAL HB A 14 TYR HD% 1.0 1.8 5.0 67 45 A 38 VAL HGx% A 14 TYR HD% 1.0 1.8 5.0 68 46 A 38 VAL HGy% A 14 TYR HD% 1.0 1.8 6.0 69 47 A 14 TYR HE% A 16 ARG HA 1.0 1.8 5.0 70 48 A 14 TYR HE% A 16 ARG HGx 1.0 1.8 5.0 71 48 A 14 TYR HE% A 16 ARG HGy 1.0 1.8 5.0 72 49 A 38 VAL HGx% A 14 TYR HE% 1.0 1.8 5.0 73 50 A 14 TYR HE% A 39 ARG HA 1.0 1.8 6.0 74 51 A 15 HIS H A 15 HIS HD2 1.0 1.8 5.0 75 52 A 38 VAL HB A 15 HIS H 1.0 1.8 6.0 76 53 A 15 HIS HA A 16 ARG H 1.0 1.8 3.5 77 54 A 15 HIS HA A 16 ARG HBx 1.0 1.8 5.0 78 54 A 15 HIS HA A 16 ARG HBy 1.0 1.8 5.0 79 55 A 18 LEU H A 15 HIS HBy 1.0 1.8 5.0 80 56 A 15 HIS HBy A 18 LEU HBy 1.0 1.8 5.0 81 57 A 15 HIS HBy A 18 LEU HBx 1.0 1.8 5.0 82 58 A 18 LEU HDx% A 15 HIS HBy 1.0 1.8 5.0 83 59 A 18 LEU HDy% A 15 HIS HBy 1.0 1.8 5.0 84 60 A 18 LEU H A 15 HIS HBx 1.0 1.8 5.0 85 61 A 15 HIS HBx A 18 LEU HBy 1.0 1.8 5.0 86 62 A 18 LEU HBx A 15 HIS HBx 1.0 1.8 5.0 87 63 A 18 LEU HDx% A 15 HIS HBx 1.0 1.8 5.0 88 64 A 18 LEU HDy% A 15 HIS HBx 1.0 1.8 5.0 89 65 A 15 HIS HD2 A 37 LEU HG 1.0 1.8 6.0 90 66 A 15 HIS HD2 A 37 LEU HBy 1.0 1.8 3.5 91 66 A 37 LEU HBx A 15 HIS HD2 1.0 1.8 3.5 92 67 A 15 HIS HD2 A 37 LEU HDx% 1.0 1.8 5.0 93 68 A 15 HIS HD2 A 37 LEU HDy% 1.0 1.8 5.0 94 69 A 38 VAL H A 15 HIS HD2 1.0 1.8 6.0 95 70 A 18 LEU H A 15 HIS HBx 1.0 1.8 5.0 96 70 A 18 LEU H A 15 HIS HBy 1.0 1.8 5.0 97 71 A 18 LEU HG A 15 HIS HBx 1.0 1.8 5.0 98 71 A 15 HIS HBy A 18 LEU HG 1.0 1.8 5.0 99 72 A 15 HIS HBy A 18 LEU HBy 1.0 1.8 3.5 100 72 A 15 HIS HBx A 18 LEU HBy 1.0 1.8 3.5 101 72 A 18 LEU HBx A 15 HIS HBx 1.0 1.8 3.5 102 72 A 15 HIS HBy A 18 LEU HBx 1.0 1.8 3.5 103 73 A 18 LEU HDx% A 15 HIS HBx 1.0 1.8 5.0 104 73 A 18 LEU HDx% A 15 HIS HBy 1.0 1.8 5.0 105 74 A 16 ARG H A 16 ARG HBx 1.0 1.8 5.0 106 74 A 16 ARG H A 16 ARG HBy 1.0 1.8 5.0 107 75 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.0 108 75 A 16 ARG HGy A 16 ARG H 1.0 1.8 5.0 109 76 A 16 ARG H A 17 ASP H 1.0 1.8 5.0 110 77 A 16 ARG HA A 16 ARG HGx 1.0 1.8 3.5 111 77 A 16 ARG HA A 16 ARG HGy 1.0 1.8 3.5 112 78 A 16 ARG HA A 17 ASP H 1.0 1.8 5.0 113 79 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 5.0 114 79 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 5.0 115 79 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 5.0 116 79 A 16 ARG HBy A 16 ARG HDy 1.0 1.8 5.0 117 80 A 16 ARG HBy A 16 ARG HGx 1.0 1.8 2.7 118 80 A 16 ARG HBx A 16 ARG HGx 1.0 1.8 2.7 119 80 A 16 ARG HGy A 16 ARG HBx 1.0 1.8 2.7 120 80 A 16 ARG HGy A 16 ARG HBy 1.0 1.8 2.7 121 81 A 17 ASP H A 16 ARG HBx 1.0 1.8 5.0 122 81 A 16 ARG HBy A 17 ASP H 1.0 1.8 5.0 123 82 A 17 ASP H A 16 ARG HGx 1.0 1.8 5.0 124 82 A 16 ARG HGy A 17 ASP H 1.0 1.8 5.0 125 83 A 17 ASP HA A 17 ASP HBx 1.0 1.8 3.5 126 83 A 17 ASP HA A 17 ASP HBy 1.0 1.8 3.5 127 84 A 18 LEU H A 17 ASP HA 1.0 1.8 3.5 128 85 A 18 LEU H A 17 ASP HBx 1.0 1.8 5.0 129 85 A 18 LEU H A 17 ASP HBy 1.0 1.8 5.0 130 86 A 18 LEU H A 18 LEU HBy 1.0 1.8 3.5 131 87 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.5 132 88 A 18 LEU H A 18 LEU HG 1.0 1.8 5.0 133 89 A 18 LEU H A 18 LEU HBy 1.0 1.8 3.5 134 89 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.5 135 90 A 18 LEU H A 18 LEU HDx% 1.0 1.8 5.0 136 91 A 18 LEU H A 18 LEU HDy% 1.0 1.8 5.0 137 92 A 18 LEU H A 19 SER H 1.0 1.8 5.0 138 93 A 18 LEU H A 39 ARG HBx 1.0 1.8 5.0 139 93 A 18 LEU H A 39 ARG HBy 1.0 1.8 5.0 140 94 A 18 LEU HDx% A 18 LEU HA 1.0 1.8 3.5 141 95 A 18 LEU HDy% A 18 LEU HA 1.0 1.8 5.0 142 96 A 19 SER H A 18 LEU HA 1.0 1.8 3.5 143 97 A 18 LEU HDx% A 18 LEU HBy 1.0 1.8 3.5 144 98 A 18 LEU HDy% A 18 LEU HBy 1.0 1.8 3.5 145 99 A 19 SER H A 18 LEU HBy 1.0 1.8 5.0 146 100 A 18 LEU HDx% A 18 LEU HBx 1.0 1.8 3.5 147 101 A 18 LEU HDy% A 18 LEU HBx 1.0 1.8 3.5 148 102 A 18 LEU HBx A 19 SER H 1.0 1.8 5.0 149 103 A 18 LEU HG A 19 SER H 1.0 1.8 5.0 150 104 A 18 LEU HG A 23 ALA H 1.0 1.8 5.0 151 105 A 18 LEU HG A 23 ALA HA 1.0 1.8 5.0 152 106 A 18 LEU HG A 23 ALA HB% 1.0 1.8 5.0 153 107 A 18 LEU HDx% A 18 LEU HBy 1.0 1.8 3.5 154 107 A 18 LEU HDx% A 18 LEU HBx 1.0 1.8 3.5 155 108 A 19 SER H A 18 LEU HBy 1.0 1.8 5.0 156 108 A 18 LEU HBx A 19 SER H 1.0 1.8 5.0 157 109 A 18 LEU HBx A 39 ARG HBx 1.0 1.8 5.0 158 109 A 18 LEU HBy A 39 ARG HBx 1.0 1.8 5.0 159 109 A 39 ARG HBy A 18 LEU HBy 1.0 1.8 5.0 160 109 A 18 LEU HBx A 39 ARG HBy 1.0 1.8 5.0 161 110 A 18 LEU HDx% A 19 SER H 1.0 1.8 5.0 162 111 A 18 LEU HDx% A 22 ALA HB% 1.0 1.8 3.5 163 112 A 18 LEU HDx% A 23 ALA H 1.0 1.8 5.0 164 113 A 18 LEU HDx% A 23 ALA HA 1.0 1.8 3.5 165 114 A 18 LEU HDx% A 26 LEU H 1.0 1.8 6.0 166 115 A 18 LEU HDy% A 23 ALA H 1.0 1.8 5.0 167 116 A 18 LEU HDy% A 23 ALA HA 1.0 1.8 3.5 168 117 A 18 LEU HDy% A 23 ALA HB% 1.0 1.8 3.5 169 118 A 18 LEU HDy% A 39 ARG HBx 1.0 1.8 5.0 170 118 A 18 LEU HDy% A 39 ARG HBy 1.0 1.8 5.0 171 119 A 18 LEU HDy% A 39 ARG HDx 1.0 1.8 5.0 172 119 A 18 LEU HDy% A 39 ARG HDy 1.0 1.8 5.0 173 120 A 19 SER H A 19 SER HBy 1.0 1.8 5.0 174 121 A 19 SER H A 19 SER HBx 1.0 1.8 5.0 175 122 A 19 SER H A 19 SER HBx 1.0 1.8 3.5 176 122 A 19 SER H A 19 SER HBy 1.0 1.8 3.5 177 123 A 19 SER H A 20 ARG H 1.0 1.8 5.0 178 124 A 19 SER H A 22 ALA HB% 1.0 1.8 5.0 179 125 A 19 SER HA A 19 SER HBx 1.0 1.8 2.7 180 125 A 19 SER HBy A 19 SER HA 1.0 1.8 2.7 181 126 A 20 ARG H A 19 SER HA 1.0 1.8 3.5 182 127 A 22 ALA HB% A 19 SER HA 1.0 1.8 6.0 183 128 A 19 SER HBy A 20 ARG H 1.0 1.8 5.0 184 129 A 20 ARG H A 19 SER HBx 1.0 1.8 5.0 185 130 A 20 ARG H A 19 SER HBx 1.0 1.8 3.5 186 130 A 19 SER HBy A 20 ARG H 1.0 1.8 3.5 187 131 A 21 ALA H A 19 SER HBx 1.0 1.8 5.0 188 131 A 19 SER HBy A 21 ALA H 1.0 1.8 5.0 189 132 A 22 ALA H A 19 SER HBx 1.0 1.8 5.0 190 132 A 19 SER HBy A 22 ALA H 1.0 1.8 5.0 191 133 A 22 ALA HB% A 19 SER HBx 1.0 1.8 5.0 192 133 A 22 ALA HB% A 19 SER HBy 1.0 1.8 5.0 193 134 A 20 ARG H A 20 ARG HGy 1.0 1.8 5.0 194 135 A 20 ARG H A 20 ARG HGx 1.0 1.8 5.0 195 136 A 20 ARG H A 20 ARG HBx 1.0 1.8 3.5 196 136 A 20 ARG H A 20 ARG HBy 1.0 1.8 3.5 197 137 A 20 ARG H A 20 ARG HDx 1.0 1.8 5.0 198 137 A 20 ARG H A 20 ARG HDy 1.0 1.8 5.0 199 138 A 20 ARG H A 20 ARG HGx 1.0 1.8 5.0 200 138 A 20 ARG H A 20 ARG HGy 1.0 1.8 5.0 201 139 A 20 ARG H A 21 ALA H 1.0 1.8 3.5 202 140 A 20 ARG HGy A 20 ARG HA 1.0 1.8 5.0 203 141 A 20 ARG HA A 20 ARG HGx 1.0 1.8 5.0 204 142 A 20 ARG HA A 20 ARG HDx 1.0 1.8 5.0 205 142 A 20 ARG HDy A 20 ARG HA 1.0 1.8 5.0 206 143 A 20 ARG HA A 20 ARG HGx 1.0 1.8 3.5 207 143 A 20 ARG HGy A 20 ARG HA 1.0 1.8 3.5 208 144 A 23 ALA H A 20 ARG HA 1.0 1.8 5.0 209 145 A 23 ALA HB% A 20 ARG HA 1.0 1.8 3.5 210 146 A 20 ARG HA A 39 ARG HE 1.0 1.8 5.0 211 147 A 20 ARG HA A 39 ARG HDx 1.0 1.8 5.0 212 147 A 39 ARG HDy A 20 ARG HA 1.0 1.8 5.0 213 148 A 20 ARG HBy A 20 ARG HDx 1.0 1.8 5.0 214 148 A 20 ARG HDy A 20 ARG HBx 1.0 1.8 5.0 215 148 A 20 ARG HBy A 20 ARG HDy 1.0 1.8 5.0 216 148 A 20 ARG HBx A 20 ARG HDx 1.0 1.8 5.0 217 149 A 21 ALA H A 20 ARG HBx 1.0 1.8 3.5 218 149 A 21 ALA H A 20 ARG HBy 1.0 1.8 3.5 219 150 A 21 ALA H A 20 ARG HDx 1.0 1.8 5.0 220 150 A 21 ALA H A 20 ARG HDy 1.0 1.8 5.0 221 151 A 21 ALA H A 20 ARG HGx 1.0 1.8 5.0 222 151 A 21 ALA H A 20 ARG HGy 1.0 1.8 5.0 223 152 A 21 ALA H A 21 ALA HB% 1.0 1.8 3.5 224 153 A 21 ALA H A 22 ALA H 1.0 1.8 3.5 225 154 A 21 ALA HA A 24 GLU H 1.0 1.8 5.0 226 155 A 21 ALA HA A 24 GLU HBx 1.0 1.8 5.0 227 155 A 21 ALA HA A 24 GLU HBy 1.0 1.8 5.0 228 156 A 21 ALA HA A 24 GLU HGy 1.0 1.8 5.0 229 156 A 21 ALA HA A 24 GLU HGx 1.0 1.8 5.0 230 157 A 22 ALA H A 21 ALA HB% 1.0 1.8 5.0 231 158 A 22 ALA HB% A 22 ALA H 1.0 1.8 3.5 232 159 A 23 ALA H A 22 ALA H 1.0 1.8 3.5 233 160 A 22 ALA HA A 25 GLU H 1.0 1.8 5.0 234 161 A 22 ALA HA A 25 GLU HBx 1.0 1.8 3.5 235 161 A 22 ALA HA A 25 GLU HBy 1.0 1.8 3.5 236 162 A 26 LEU H A 22 ALA HA 1.0 1.8 5.0 237 163 A 23 ALA H A 23 ALA HB% 1.0 1.8 3.5 238 164 A 23 ALA HA A 26 LEU H 1.0 1.8 5.0 239 165 A 23 ALA HA A 26 LEU HBy 1.0 1.8 5.0 240 165 A 23 ALA HA A 26 LEU HBx 1.0 1.8 5.0 241 166 A 23 ALA HA A 27 LEU H 1.0 1.8 5.0 242 167 A 23 ALA HA A 27 LEU HG 1.0 1.8 5.0 243 168 A 37 LEU HDx% A 23 ALA HA 1.0 1.8 5.0 244 169 A 37 LEU HDy% A 23 ALA HA 1.0 1.8 5.0 245 170 A 23 ALA HB% A 24 GLU H 1.0 1.8 3.5 246 171 A 37 LEU HDx% A 23 ALA HB% 1.0 1.8 5.0 247 172 A 37 LEU HDy% A 23 ALA HB% 1.0 1.8 5.0 248 173 A 23 ALA HB% A 39 ARG HDy 1.0 1.8 3.5 249 174 A 23 ALA HB% A 39 ARG HDx 1.0 1.8 3.5 250 175 A 23 ALA HB% A 39 ARG HE 1.0 1.8 5.0 251 176 A 23 ALA HB% A 39 ARG HDx 1.0 1.8 3.5 252 176 A 23 ALA HB% A 39 ARG HDy 1.0 1.8 3.5 253 177 A 24 GLU H A 24 GLU HBx 1.0 1.8 3.5 254 177 A 24 GLU H A 24 GLU HBy 1.0 1.8 3.5 255 178 A 24 GLU H A 24 GLU HGy 1.0 1.8 5.0 256 178 A 24 GLU H A 24 GLU HGx 1.0 1.8 5.0 257 179 A 24 GLU H A 25 GLU H 1.0 1.8 3.5 258 180 A 24 GLU H A 58 VAL HGx% 1.0 1.8 6.0 259 181 A 24 GLU H A 58 VAL HGy% 1.0 1.8 6.0 260 182 A 24 GLU HA A 24 GLU HGy 1.0 1.8 5.0 261 183 A 24 GLU HGx A 24 GLU HA 1.0 1.8 5.0 262 184 A 24 GLU HA A 24 GLU HGy 1.0 1.8 3.5 263 184 A 24 GLU HGx A 24 GLU HA 1.0 1.8 3.5 264 185 A 27 LEU H A 24 GLU HA 1.0 1.8 5.0 265 186 A 24 GLU HA A 27 LEU HBy 1.0 1.8 5.0 266 187 A 24 GLU HA A 27 LEU HBx 1.0 1.8 5.0 267 188 A 24 GLU HA A 27 LEU HBy 1.0 1.8 5.0 268 188 A 24 GLU HA A 27 LEU HBx 1.0 1.8 5.0 269 189 A 24 GLU HA A 27 LEU HDx% 1.0 1.8 5.0 270 190 A 58 VAL HGx% A 24 GLU HA 1.0 1.8 5.0 271 191 A 58 VAL HGy% A 24 GLU HA 1.0 1.8 5.0 272 192 A 25 GLU H A 24 GLU HBx 1.0 1.8 5.0 273 192 A 24 GLU HBy A 25 GLU H 1.0 1.8 5.0 274 193 A 58 VAL HGx% A 24 GLU HBx 1.0 1.8 5.0 275 193 A 24 GLU HBy A 58 VAL HGx% 1.0 1.8 5.0 276 194 A 58 VAL HGy% A 24 GLU HBx 1.0 1.8 5.0 277 194 A 24 GLU HBy A 58 VAL HGy% 1.0 1.8 5.0 278 195 A 58 VAL HGx% A 24 GLU HGy 1.0 1.8 5.0 279 195 A 24 GLU HGx A 58 VAL HGx% 1.0 1.8 5.0 280 196 A 58 VAL HGy% A 24 GLU HGy 1.0 1.8 5.0 281 196 A 24 GLU HGx A 58 VAL HGy% 1.0 1.8 5.0 282 197 A 25 GLU H A 25 GLU HGy 1.0 1.8 5.0 283 198 A 25 GLU H A 25 GLU HGx 1.0 1.8 5.0 284 199 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.5 285 199 A 25 GLU H A 25 GLU HBy 1.0 1.8 3.5 286 200 A 26 LEU H A 25 GLU H 1.0 1.8 3.5 287 201 A 25 GLU H A 58 VAL HGx% 1.0 1.8 6.0 288 202 A 25 GLU HA A 25 GLU HGy 1.0 1.8 5.0 289 203 A 25 GLU HA A 25 GLU HGx 1.0 1.8 5.0 290 204 A 25 GLU HA A 28 ALA H 1.0 1.8 5.0 291 205 A 25 GLU HA A 28 ALA HB% 1.0 1.8 3.5 292 206 A 25 GLU HA A 29 ARG H 1.0 1.8 5.0 293 207 A 25 GLU HBy A 25 GLU HGy 1.0 1.8 3.5 294 207 A 25 GLU HBx A 25 GLU HGy 1.0 1.8 3.5 295 208 A 25 GLU HBy A 25 GLU HGx 1.0 1.8 3.5 296 208 A 25 GLU HGx A 25 GLU HBx 1.0 1.8 3.5 297 209 A 25 GLU HBy A 25 GLU HGy 1.0 1.8 2.7 298 209 A 25 GLU HBx A 25 GLU HGy 1.0 1.8 2.7 299 209 A 25 GLU HGx A 25 GLU HBx 1.0 1.8 2.7 300 209 A 25 GLU HBy A 25 GLU HGx 1.0 1.8 2.7 301 210 A 26 LEU H A 25 GLU HBx 1.0 1.8 3.5 302 210 A 26 LEU H A 25 GLU HBy 1.0 1.8 3.5 303 211 A 26 LEU H A 25 GLU HGy 1.0 1.8 5.0 304 211 A 26 LEU H A 25 GLU HGx 1.0 1.8 5.0 305 212 A 26 LEU H A 26 LEU HBy 1.0 1.8 5.0 306 213 A 26 LEU H A 26 LEU HBx 1.0 1.8 5.0 307 214 A 26 LEU H A 26 LEU HBy 1.0 1.8 3.5 308 214 A 26 LEU H A 26 LEU HBx 1.0 1.8 3.5 309 215 A 26 LEU H A 26 LEU HDx% 1.0 1.8 5.0 310 216 A 26 LEU H A 26 LEU HDy% 1.0 1.8 5.0 311 217 A 26 LEU H A 26 LEU HDy% 1.0 1.8 5.0 312 217 A 26 LEU H A 26 LEU HDx% 1.0 1.8 5.0 313 218 A 26 LEU H A 27 LEU H 1.0 1.8 3.5 314 219 A 26 LEU HDx% A 26 LEU HA 1.0 1.8 5.0 315 220 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 5.0 316 221 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 3.5 317 221 A 26 LEU HDx% A 26 LEU HA 1.0 1.8 3.5 318 222 A 29 ARG H A 26 LEU HA 1.0 1.8 5.0 319 223 A 26 LEU HA A 29 ARG HBx 1.0 1.8 5.0 320 223 A 26 LEU HA A 29 ARG HBy 1.0 1.8 5.0 321 224 A 26 LEU HA A 29 ARG HDx 1.0 1.8 5.0 322 224 A 26 LEU HA A 29 ARG HDy 1.0 1.8 5.0 323 225 A 26 LEU HA A 30 ALA H 1.0 1.8 5.0 324 226 A 26 LEU HDx% A 26 LEU HBy 1.0 1.8 5.0 325 227 A 26 LEU HBy A 26 LEU HDy% 1.0 1.8 5.0 326 228 A 27 LEU H A 26 LEU HBy 1.0 1.8 5.0 327 229 A 26 LEU HBx A 26 LEU HDx% 1.0 1.8 5.0 328 230 A 26 LEU HBx A 26 LEU HDy% 1.0 1.8 5.0 329 231 A 26 LEU HBx A 27 LEU H 1.0 1.8 5.0 330 232 A 26 LEU HBx A 26 LEU HDy% 1.0 1.8 3.5 331 232 A 26 LEU HBy A 26 LEU HDy% 1.0 1.8 3.5 332 232 A 26 LEU HDx% A 26 LEU HBy 1.0 1.8 3.5 333 232 A 26 LEU HBx A 26 LEU HDx% 1.0 1.8 3.5 334 233 A 27 LEU H A 26 LEU HBy 1.0 1.8 3.5 335 233 A 26 LEU HBx A 27 LEU H 1.0 1.8 3.5 336 234 A 37 LEU HDy% A 26 LEU HBy 1.0 1.8 6.0 337 234 A 37 LEU HDy% A 26 LEU HBx 1.0 1.8 6.0 338 235 A 27 LEU H A 26 LEU HDy% 1.0 1.8 5.0 339 235 A 27 LEU H A 26 LEU HDx% 1.0 1.8 5.0 340 236 A 26 LEU HDy% A 29 ARG HBx 1.0 1.8 5.0 341 236 A 26 LEU HDx% A 29 ARG HBx 1.0 1.8 5.0 342 236 A 29 ARG HBy A 26 LEU HDy% 1.0 1.8 5.0 343 236 A 26 LEU HDx% A 29 ARG HBy 1.0 1.8 5.0 344 237 A 26 LEU HDx% A 29 ARG HDx 1.0 1.8 5.0 345 237 A 29 ARG HDy A 26 LEU HDy% 1.0 1.8 5.0 346 237 A 26 LEU HDx% A 29 ARG HDy 1.0 1.8 5.0 347 237 A 26 LEU HDy% A 29 ARG HDx 1.0 1.8 5.0 348 238 A 27 LEU H A 27 LEU HBy 1.0 1.8 5.0 349 239 A 27 LEU H A 27 LEU HBx 1.0 1.8 5.0 350 240 A 27 LEU H A 27 LEU HG 1.0 1.8 5.0 351 241 A 27 LEU H A 27 LEU HBy 1.0 1.8 3.5 352 241 A 27 LEU H A 27 LEU HBx 1.0 1.8 3.5 353 242 A 27 LEU H A 27 LEU HDx% 1.0 1.8 5.0 354 243 A 27 LEU H A 27 LEU HDy% 1.0 1.8 5.0 355 244 A 27 LEU H A 28 ALA H 1.0 1.8 3.5 356 245 A 37 LEU HDy% A 27 LEU H 1.0 1.8 6.0 357 246 A 27 LEU HG A 27 LEU HA 1.0 1.8 3.5 358 247 A 27 LEU HDx% A 27 LEU HA 1.0 1.8 5.0 359 248 A 27 LEU HDy% A 27 LEU HA 1.0 1.8 5.0 360 249 A 30 ALA H A 27 LEU HA 1.0 1.8 5.0 361 250 A 27 LEU HDx% A 27 LEU HBy 1.0 1.8 3.5 362 251 A 28 ALA H A 27 LEU HBy 1.0 1.8 5.0 363 252 A 58 VAL HGy% A 27 LEU HBy 1.0 1.8 5.0 364 253 A 27 LEU HBx A 27 LEU HDx% 1.0 1.8 3.5 365 254 A 27 LEU HBx A 28 ALA H 1.0 1.8 5.0 366 255 A 58 VAL HGy% A 27 LEU HBx 1.0 1.8 5.0 367 256 A 27 LEU HG A 35 SER HBy 1.0 1.8 5.0 368 257 A 27 LEU HG A 35 SER HBx 1.0 1.8 6.0 369 258 A 37 LEU HDy% A 27 LEU HG 1.0 1.8 5.0 370 259 A 27 LEU HG A 27 LEU HBy 1.0 1.8 2.7 371 259 A 27 LEU HG A 27 LEU HBx 1.0 1.8 2.7 372 260 A 27 LEU HDy% A 27 LEU HBy 1.0 1.8 3.5 373 260 A 27 LEU HBx A 27 LEU HDy% 1.0 1.8 3.5 374 261 A 28 ALA H A 27 LEU HBy 1.0 1.8 3.5 375 261 A 27 LEU HBx A 28 ALA H 1.0 1.8 3.5 376 262 A 58 VAL HGy% A 27 LEU HBy 1.0 1.8 5.0 377 262 A 58 VAL HGy% A 27 LEU HBx 1.0 1.8 5.0 378 263 A 27 LEU HDx% A 28 ALA H 1.0 1.8 5.0 379 264 A 27 LEU HDx% A 36 PHE HA 1.0 1.8 5.0 380 265 A 27 LEU HDx% A 37 LEU H 1.0 1.8 6.0 381 266 A 37 LEU HG A 27 LEU HDx% 1.0 1.8 5.0 382 267 A 27 LEU HDx% A 51 CYS H 1.0 1.8 5.0 383 268 A 27 LEU HDx% A 51 CYS HBy 1.0 1.8 5.0 384 269 A 27 LEU HDx% A 51 CYS HBx 1.0 1.8 5.0 385 270 A 27 LEU HDx% A 52 VAL H 1.0 1.8 5.0 386 271 A 27 LEU HDx% A 52 VAL HA 1.0 1.8 5.0 387 272 A 27 LEU HDx% A 53 LEU H 1.0 1.8 6.0 388 273 A 27 LEU HDy% A 37 LEU H 1.0 1.8 5.0 389 274 A 37 LEU HG A 27 LEU HDy% 1.0 1.8 5.0 390 275 A 27 LEU HDy% A 51 CYS HBx 1.0 1.8 6.0 391 275 A 27 LEU HDy% A 51 CYS HBy 1.0 1.8 6.0 392 276 A 28 ALA H A 28 ALA HB% 1.0 1.8 2.7 393 277 A 28 ALA H A 29 ARG H 1.0 1.8 3.5 394 278 A 28 ALA HA A 53 LEU HDy% 1.0 1.8 3.5 395 279 A 28 ALA HB% A 29 ARG H 1.0 1.8 3.5 396 280 A 29 ARG H A 29 ARG HGy 1.0 1.8 5.0 397 281 A 29 ARG H A 29 ARG HGx 1.0 1.8 5.0 398 282 A 29 ARG H A 29 ARG HBx 1.0 1.8 3.5 399 282 A 29 ARG H A 29 ARG HBy 1.0 1.8 3.5 400 283 A 29 ARG H A 29 ARG HDx 1.0 1.8 5.0 401 283 A 29 ARG H A 29 ARG HDy 1.0 1.8 5.0 402 284 A 29 ARG H A 30 ALA H 1.0 1.8 3.5 403 285 A 29 ARG HA A 29 ARG HGy 1.0 1.8 5.0 404 286 A 29 ARG HA A 29 ARG HGx 1.0 1.8 5.0 405 287 A 29 ARG HA A 29 ARG HDx 1.0 1.8 5.0 406 287 A 29 ARG HDy A 29 ARG HA 1.0 1.8 5.0 407 288 A 29 ARG HA A 29 ARG HGx 1.0 1.8 3.5 408 288 A 29 ARG HA A 29 ARG HGy 1.0 1.8 3.5 409 289 A 29 ARG HBy A 29 ARG HGy 1.0 1.8 3.5 410 289 A 29 ARG HGy A 29 ARG HBx 1.0 1.8 3.5 411 290 A 29 ARG HBx A 29 ARG HGx 1.0 1.8 3.5 412 290 A 29 ARG HBy A 29 ARG HGx 1.0 1.8 3.5 413 291 A 29 ARG HBx A 29 ARG HDx 1.0 1.8 3.5 414 291 A 29 ARG HDy A 29 ARG HBx 1.0 1.8 3.5 415 291 A 29 ARG HBy A 29 ARG HDy 1.0 1.8 3.5 416 291 A 29 ARG HBy A 29 ARG HDx 1.0 1.8 3.5 417 292 A 29 ARG HBx A 29 ARG HGx 1.0 1.8 2.7 418 292 A 29 ARG HGy A 29 ARG HBx 1.0 1.8 2.7 419 292 A 29 ARG HBy A 29 ARG HGy 1.0 1.8 2.7 420 292 A 29 ARG HBy A 29 ARG HGx 1.0 1.8 2.7 421 293 A 30 ALA H A 29 ARG HBx 1.0 1.8 3.5 422 293 A 29 ARG HBy A 30 ALA H 1.0 1.8 3.5 423 294 A 30 ALA H A 30 ALA HB% 1.0 1.8 3.5 424 295 A 30 ALA H A 31 GLY H 1.0 1.8 3.5 425 296 A 30 ALA HA A 109 VAL HGx% 1.0 1.8 5.0 426 297 A 30 ALA HB% A 109 VAL HGx% 1.0 1.8 3.5 427 298 A 30 ALA HB% A 31 GLY H 1.0 1.8 3.5 428 299 A 30 ALA HB% A 32 ARG H 1.0 1.8 6.0 429 300 A 35 SER HBx A 30 ALA HB% 1.0 1.8 6.0 430 301 A 53 LEU HDy% A 31 GLY H 1.0 1.8 5.0 431 302 A 109 VAL HGx% A 31 GLY HAy 1.0 1.8 6.0 432 303 A 109 VAL HGx% A 31 GLY HAx 1.0 1.8 6.0 433 304 A 31 GLY HAx A 109 VAL HGy% 1.0 1.8 6.0 434 305 A 53 LEU HDy% A 31 GLY HAx 1.0 1.8 5.0 435 306 A 32 ARG H A 32 ARG HBx 1.0 1.8 3.5 436 306 A 32 ARG H A 32 ARG HBy 1.0 1.8 3.5 437 307 A 32 ARG H A 32 ARG HGx 1.0 1.8 5.0 438 307 A 32 ARG H A 32 ARG HGy 1.0 1.8 5.0 439 308 A 53 LEU HDy% A 32 ARG H 1.0 1.8 5.0 440 309 A 32 ARG HGy A 32 ARG HA 1.0 1.8 5.0 441 310 A 32 ARG HA A 32 ARG HGx 1.0 1.8 5.0 442 311 A 32 ARG HA A 32 ARG HDx 1.0 1.8 5.0 443 311 A 32 ARG HA A 32 ARG HDy 1.0 1.8 5.0 444 312 A 32 ARG HA A 32 ARG HGx 1.0 1.8 3.5 445 312 A 32 ARG HGy A 32 ARG HA 1.0 1.8 3.5 446 313 A 32 ARG HA A 33 ASP H 1.0 1.8 3.5 447 314 A 53 LEU HDy% A 32 ARG HA 1.0 1.8 5.0 448 315 A 32 ARG HBy A 32 ARG HDy 1.0 1.8 5.0 449 315 A 32 ARG HBy A 32 ARG HDx 1.0 1.8 5.0 450 316 A 32 ARG HDy A 32 ARG HBx 1.0 1.8 5.0 451 316 A 32 ARG HBx A 32 ARG HDx 1.0 1.8 5.0 452 317 A 33 ASP H A 33 ASP HA 1.0 1.8 3.5 453 318 A 33 ASP H A 33 ASP HBy 1.0 1.8 5.0 454 319 A 33 ASP H A 33 ASP HBx 1.0 1.8 5.0 455 320 A 33 ASP HA A 34 GLY H 1.0 1.8 3.5 456 321 A 33 ASP HBy A 34 GLY H 1.0 1.8 5.0 457 322 A 33 ASP HBx A 34 GLY H 1.0 1.8 5.0 458 323 A 34 GLY H A 35 SER H 1.0 1.8 3.5 459 324 A 34 GLY H A 53 LEU HBx 1.0 1.8 5.0 460 325 A 34 GLY H A 54 TYR HA 1.0 1.8 5.0 461 326 A 34 GLY H A 54 TYR HD% 1.0 1.8 5.0 462 327 A 34 GLY HAy A 52 VAL HGx% 1.0 1.8 6.0 463 328 A 34 GLY HAx A 106 LEU H 1.0 1.8 6.0 464 329 A 34 GLY HAx A 106 LEU HBx 1.0 1.8 5.0 465 329 A 34 GLY HAx A 106 LEU HBy 1.0 1.8 5.0 466 330 A 52 VAL HGx% A 34 GLY HAx 1.0 1.8 6.0 467 331 A 35 SER HBy A 35 SER H 1.0 1.8 5.0 468 332 A 35 SER HBx A 35 SER H 1.0 1.8 5.0 469 333 A 35 SER H A 35 SER HG 1.0 1.8 3.5 470 334 A 35 SER H A 52 VAL HGx% 1.0 1.8 5.0 471 335 A 53 LEU H A 35 SER H 1.0 1.8 5.0 472 336 A 35 SER H A 53 LEU HBy 1.0 1.8 5.0 473 337 A 35 SER H A 53 LEU HBx 1.0 1.8 5.0 474 338 A 35 SER H A 53 LEU HG 1.0 1.8 5.0 475 339 A 53 LEU HDy% A 35 SER H 1.0 1.8 5.0 476 340 A 109 VAL HGy% A 35 SER HA 1.0 1.8 5.0 477 341 A 35 SER HA A 36 PHE H 1.0 1.8 5.0 478 342 A 52 VAL HGx% A 35 SER HA 1.0 1.8 6.0 479 343 A 35 SER HBy A 53 LEU H 1.0 1.8 5.0 480 344 A 35 SER HBy A 53 LEU HBy 1.0 1.8 5.0 481 345 A 35 SER HBy A 53 LEU HBx 1.0 1.8 5.0 482 346 A 35 SER HBy A 53 LEU HDy% 1.0 1.8 5.0 483 347 A 35 SER HBx A 109 VAL HGy% 1.0 1.8 3.5 484 348 A 35 SER HBx A 36 PHE H 1.0 1.8 5.0 485 349 A 35 SER HBx A 53 LEU HBy 1.0 1.8 6.0 486 350 A 35 SER HBx A 53 LEU HBx 1.0 1.8 5.0 487 351 A 53 LEU HBx A 35 SER HG 1.0 1.8 5.0 488 352 A 53 LEU HDy% A 35 SER HG 1.0 1.8 5.0 489 353 A 36 PHE H A 107 LEU HBx 1.0 1.8 6.0 490 353 A 36 PHE H A 107 LEU HBy 1.0 1.8 6.0 491 354 A 108 PRO HA A 36 PHE H 1.0 1.8 5.0 492 355 A 109 VAL HGy% A 36 PHE H 1.0 1.8 5.0 493 356 A 36 PHE H A 36 PHE HD% 1.0 1.8 5.0 494 357 A 36 PHE HA A 105 LEU HDy% 1.0 1.8 5.0 495 358 A 36 PHE HA A 37 LEU H 1.0 1.8 3.5 496 359 A 36 PHE HA A 50 LEU HDx% 1.0 1.8 5.0 497 360 A 36 PHE HA A 51 CYS H 1.0 1.8 5.0 498 361 A 36 PHE HA A 52 VAL HA 1.0 1.8 3.5 499 362 A 36 PHE HA A 52 VAL HGx% 1.0 1.8 5.0 500 363 A 36 PHE HA A 52 VAL HGy% 1.0 1.8 5.0 501 364 A 36 PHE HA A 53 LEU H 1.0 1.8 5.0 502 365 A 105 LEU HDy% A 36 PHE HBy 1.0 1.8 5.0 503 366 A 37 LEU H A 36 PHE HBy 1.0 1.8 5.0 504 367 A 50 LEU HDx% A 36 PHE HBy 1.0 1.8 5.0 505 368 A 36 PHE HBy A 50 LEU HDy% 1.0 1.8 6.0 506 369 A 52 VAL HA A 36 PHE HBy 1.0 1.8 5.0 507 370 A 36 PHE HBy A 52 VAL HB 1.0 1.8 6.0 508 371 A 52 VAL HGy% A 36 PHE HBy 1.0 1.8 5.0 509 372 A 105 LEU HDy% A 36 PHE HBx 1.0 1.8 5.0 510 373 A 37 LEU H A 36 PHE HBx 1.0 1.8 5.0 511 374 A 50 LEU HDx% A 36 PHE HBx 1.0 1.8 5.0 512 375 A 52 VAL HA A 36 PHE HBx 1.0 1.8 5.0 513 376 A 52 VAL HB A 36 PHE HBx 1.0 1.8 6.0 514 377 A 52 VAL HGx% A 36 PHE HBx 1.0 1.8 5.0 515 378 A 52 VAL HGy% A 36 PHE HBx 1.0 1.8 5.0 516 379 A 53 LEU H A 36 PHE HBx 1.0 1.8 6.0 517 380 A 36 PHE HD% A 105 LEU HA 1.0 1.8 5.0 518 381 A 36 PHE HD% A 105 LEU HDx% 1.0 1.8 5.0 519 382 A 36 PHE HD% A 105 LEU HDy% 1.0 1.8 5.0 520 383 A 37 LEU H A 36 PHE HD% 1.0 1.8 5.0 521 384 A 36 PHE HD% A 50 LEU HDx% 1.0 1.8 5.0 522 385 A 36 PHE HD% A 91 ILE HD1% 1.0 1.8 6.0 523 386 A 105 LEU HDx% A 36 PHE HE% 1.0 1.8 6.0 524 387 A 105 LEU HDy% A 36 PHE HE% 1.0 1.8 6.0 525 388 A 50 LEU HDx% A 36 PHE HE% 1.0 1.8 5.0 526 389 A 37 LEU HG A 37 LEU H 1.0 1.8 5.0 527 390 A 37 LEU HDx% A 37 LEU H 1.0 1.8 5.0 528 391 A 37 LEU H A 50 LEU HDx% 1.0 1.8 5.0 529 392 A 37 LEU H A 51 CYS H 1.0 1.8 5.0 530 393 A 37 LEU H A 51 CYS HBx 1.0 1.8 5.0 531 393 A 37 LEU H A 51 CYS HBy 1.0 1.8 5.0 532 394 A 37 LEU H A 52 VAL HA 1.0 1.8 5.0 533 395 A 37 LEU H A 52 VAL HGy% 1.0 1.8 5.0 534 396 A 37 LEU HA A 37 LEU HDx% 1.0 1.8 5.0 535 397 A 37 LEU HA A 37 LEU HDy% 1.0 1.8 5.0 536 398 A 37 LEU HA A 38 VAL H 1.0 1.8 3.5 537 399 A 37 LEU HDx% A 37 LEU HBy 1.0 1.8 5.0 538 400 A 37 LEU HDy% A 37 LEU HBy 1.0 1.8 5.0 539 401 A 38 VAL H A 37 LEU HBy 1.0 1.8 5.0 540 402 A 37 LEU HBx A 37 LEU HDx% 1.0 1.8 5.0 541 403 A 37 LEU HBx A 37 LEU HDy% 1.0 1.8 5.0 542 404 A 37 LEU HBx A 38 VAL H 1.0 1.8 5.0 543 405 A 38 VAL H A 37 LEU HG 1.0 1.8 5.0 544 406 A 37 LEU HG A 51 CYS HBx 1.0 1.8 5.0 545 406 A 37 LEU HG A 51 CYS HBy 1.0 1.8 5.0 546 407 A 37 LEU HDy% A 37 LEU HBy 1.0 1.8 3.5 547 407 A 37 LEU HBx A 37 LEU HDy% 1.0 1.8 3.5 548 408 A 38 VAL H A 37 LEU HBy 1.0 1.8 3.5 549 408 A 37 LEU HBx A 38 VAL H 1.0 1.8 3.5 550 409 A 38 VAL H A 37 LEU HDx% 1.0 1.8 5.0 551 410 A 37 LEU HDx% A 39 ARG H 1.0 1.8 5.0 552 411 A 39 ARG HA A 37 LEU HDx% 1.0 1.8 5.0 553 412 A 37 LEU HDx% A 39 ARG HBx 1.0 1.8 5.0 554 412 A 37 LEU HDx% A 39 ARG HBy 1.0 1.8 5.0 555 413 A 37 LEU HDx% A 39 ARG HDx 1.0 1.8 5.0 556 413 A 37 LEU HDx% A 39 ARG HDy 1.0 1.8 5.0 557 414 A 37 LEU HDx% A 50 LEU HA 1.0 1.8 6.0 558 415 A 37 LEU HDx% A 51 CYS H 1.0 1.8 5.0 559 416 A 37 LEU HDx% A 51 CYS HBx 1.0 1.8 4.0 560 416 A 37 LEU HDx% A 51 CYS HBy 1.0 1.8 4.0 561 417 A 37 LEU HDy% A 109 VAL HB 1.0 1.8 5.0 562 418 A 38 VAL H A 38 VAL HB 1.0 1.8 5.0 563 419 A 38 VAL H A 38 VAL HGx% 1.0 1.8 5.0 564 420 A 38 VAL H A 38 VAL HGy% 1.0 1.8 5.0 565 421 A 38 VAL HGx% A 38 VAL HA 1.0 1.8 3.5 566 422 A 38 VAL HGy% A 38 VAL HA 1.0 1.8 3.5 567 423 A 39 ARG H A 38 VAL HA 1.0 1.8 3.5 568 424 A 50 LEU HA A 38 VAL HA 1.0 1.8 5.0 569 425 A 50 LEU HDx% A 38 VAL HA 1.0 1.8 5.0 570 426 A 51 CYS H A 38 VAL HA 1.0 1.8 5.0 571 427 A 38 VAL HB A 50 LEU HA 1.0 1.8 6.0 572 428 A 38 VAL HB A 50 LEU HDx% 1.0 1.8 6.0 573 429 A 38 VAL HB A 87 LEU HDy% 1.0 1.8 6.0 574 430 A 38 VAL HGx% A 39 ARG H 1.0 1.8 5.0 575 431 A 38 VAL HGx% A 48 PHE HA 1.0 1.8 5.0 576 432 A 38 VAL HGx% A 48 PHE HBy 1.0 1.8 5.0 577 433 A 38 VAL HGx% A 48 PHE HBx 1.0 1.8 5.0 578 434 A 38 VAL HGx% A 48 PHE HBx 1.0 1.8 3.5 579 434 A 38 VAL HGx% A 48 PHE HBy 1.0 1.8 3.5 580 435 A 38 VAL HGx% A 48 PHE HD% 1.0 1.8 5.0 581 436 A 38 VAL HGx% A 49 ALA H 1.0 1.8 5.0 582 437 A 38 VAL HGx% A 50 LEU HA 1.0 1.8 5.0 583 438 A 38 VAL HGx% A 50 LEU HDx% 1.0 1.8 5.0 584 439 A 38 VAL HGx% A 63 ILE HD1% 1.0 1.8 5.0 585 440 A 38 VAL HGx% A 87 LEU HDy% 1.0 1.8 3.5 586 441 A 38 VAL HGy% A 105 LEU HDx% 1.0 1.8 5.0 587 442 A 38 VAL HGy% A 39 ARG H 1.0 1.8 5.0 588 443 A 38 VAL HGy% A 50 LEU HA 1.0 1.8 5.0 589 444 A 38 VAL HGy% A 50 LEU HBy 1.0 1.8 5.0 590 445 A 38 VAL HGy% A 50 LEU HDx% 1.0 1.8 3.5 591 446 A 38 VAL HGy% A 51 CYS H 1.0 1.8 5.0 592 447 A 38 VAL HGy% A 87 LEU HBx 1.0 1.8 6.0 593 447 A 38 VAL HGy% A 87 LEU HBy 1.0 1.8 6.0 594 448 A 38 VAL HGy% A 91 ILE HD1% 1.0 1.8 5.0 595 449 A 39 ARG H A 39 ARG HGx 1.0 1.8 5.0 596 449 A 39 ARG H A 39 ARG HGy 1.0 1.8 5.0 597 450 A 39 ARG HA A 40 ASP H 1.0 1.8 3.5 598 451 A 39 ARG HBy A 40 ASP H 1.0 1.8 5.0 599 452 A 40 ASP H A 39 ARG HBx 1.0 1.8 5.0 600 453 A 39 ARG HDy A 49 ALA HB% 1.0 1.8 5.0 601 454 A 49 ALA HB% A 39 ARG HDx 1.0 1.8 5.0 602 455 A 39 ARG HE A 49 ALA HB% 1.0 1.8 5.0 603 456 A 39 ARG HBy A 39 ARG HDx 1.0 1.8 3.5 604 456 A 39 ARG HBx A 39 ARG HDx 1.0 1.8 3.5 605 456 A 39 ARG HDy A 39 ARG HBx 1.0 1.8 3.5 606 456 A 39 ARG HBy A 39 ARG HDy 1.0 1.8 3.5 607 457 A 40 ASP H A 39 ARG HBx 1.0 1.8 3.5 608 457 A 39 ARG HBy A 40 ASP H 1.0 1.8 3.5 609 458 A 40 ASP H A 39 ARG HGx 1.0 1.8 5.0 610 458 A 39 ARG HGy A 40 ASP H 1.0 1.8 5.0 611 459 A 49 ALA H A 39 ARG HGx 1.0 1.8 6.0 612 459 A 49 ALA H A 39 ARG HGy 1.0 1.8 6.0 613 460 A 49 ALA HB% A 39 ARG HGx 1.0 1.8 3.5 614 460 A 39 ARG HGy A 49 ALA HB% 1.0 1.8 3.5 615 461 A 50 LEU H A 39 ARG HGx 1.0 1.8 6.0 616 461 A 39 ARG HGy A 50 LEU H 1.0 1.8 6.0 617 462 A 40 ASP H A 40 ASP HBy 1.0 1.8 5.0 618 463 A 40 ASP H A 40 ASP HBx 1.0 1.8 5.0 619 464 A 40 ASP H A 40 ASP HBx 1.0 1.8 3.5 620 464 A 40 ASP H A 40 ASP HBy 1.0 1.8 3.5 621 465 A 40 ASP HA A 41 SER H 1.0 1.8 3.5 622 466 A 48 PHE HA A 40 ASP HA 1.0 1.8 5.0 623 467 A 48 PHE HD% A 40 ASP HA 1.0 1.8 5.0 624 468 A 49 ALA H A 40 ASP HA 1.0 1.8 5.0 625 469 A 41 SER H A 40 ASP HBx 1.0 1.8 5.0 626 469 A 40 ASP HBy A 41 SER H 1.0 1.8 5.0 627 470 A 41 SER H A 41 SER HBy 1.0 1.8 5.0 628 471 A 41 SER H A 41 SER HBx 1.0 1.8 5.0 629 472 A 41 SER H A 47 ALA HB% 1.0 1.8 5.0 630 473 A 48 PHE HA A 41 SER H 1.0 1.8 5.0 631 474 A 49 ALA H A 41 SER H 1.0 1.8 5.0 632 475 A 41 SER H A 49 ALA HA 1.0 1.8 6.0 633 476 A 41 SER HA A 42 GLU H 1.0 1.8 5.0 634 477 A 47 ALA HB% A 41 SER HA 1.0 1.8 6.0 635 478 A 48 PHE HA A 41 SER HA 1.0 1.8 6.0 636 479 A 49 ALA HB% A 41 SER HA 1.0 1.8 5.0 637 480 A 44 VAL H A 41 SER HBy 1.0 1.8 5.0 638 481 A 48 PHE HA A 41 SER HBy 1.0 1.8 5.0 639 482 A 44 VAL H A 41 SER HBx 1.0 1.8 5.0 640 483 A 48 PHE HA A 41 SER HBx 1.0 1.8 6.0 641 484 A 44 VAL H A 41 SER HBx 1.0 1.8 5.0 642 484 A 44 VAL H A 41 SER HBy 1.0 1.8 5.0 643 485 A 47 ALA H A 41 SER HBx 1.0 1.8 5.0 644 485 A 41 SER HBy A 47 ALA H 1.0 1.8 5.0 645 486 A 47 ALA HB% A 41 SER HBx 1.0 1.8 3.5 646 486 A 47 ALA HB% A 41 SER HBy 1.0 1.8 3.5 647 487 A 48 PHE HA A 41 SER HBx 1.0 1.8 5.0 648 487 A 48 PHE HA A 41 SER HBy 1.0 1.8 5.0 649 488 A 49 ALA H A 41 SER HBx 1.0 1.8 6.0 650 488 A 49 ALA H A 41 SER HBy 1.0 1.8 6.0 651 489 A 42 GLU H A 42 GLU HGy 1.0 1.8 5.0 652 490 A 42 GLU H A 42 GLU HGx 1.0 1.8 5.0 653 491 A 42 GLU H A 43 SER H 1.0 1.8 5.0 654 492 A 42 GLU HA A 42 GLU HGy 1.0 1.8 5.0 655 493 A 42 GLU HA A 42 GLU HGx 1.0 1.8 5.0 656 494 A 42 GLU HA A 42 GLU HBx 1.0 1.8 3.5 657 494 A 42 GLU HA A 42 GLU HBy 1.0 1.8 3.5 658 495 A 42 GLU HA A 42 GLU HGy 1.0 1.8 3.5 659 495 A 42 GLU HA A 42 GLU HGx 1.0 1.8 3.5 660 496 A 43 SER H A 42 GLU HBx 1.0 1.8 5.0 661 496 A 43 SER H A 42 GLU HBy 1.0 1.8 5.0 662 497 A 43 SER H A 42 GLU HGy 1.0 1.8 5.0 663 497 A 43 SER H A 42 GLU HGx 1.0 1.8 5.0 664 498 A 43 SER H A 43 SER HBx 1.0 1.8 5.0 665 498 A 43 SER H A 43 SER HBy 1.0 1.8 5.0 666 499 A 44 VAL H A 43 SER H 1.0 1.8 5.0 667 500 A 43 SER HA A 43 SER HBx 1.0 1.8 3.5 668 500 A 43 SER HBy A 43 SER HA 1.0 1.8 3.5 669 501 A 44 VAL H A 43 SER HBx 1.0 1.8 5.0 670 501 A 44 VAL H A 43 SER HBy 1.0 1.8 5.0 671 502 A 44 VAL H A 44 VAL HB 1.0 1.8 5.0 672 503 A 44 VAL H A 44 VAL HGx% 1.0 1.8 3.5 673 503 A 44 VAL H A 44 VAL HGy% 1.0 1.8 3.5 674 504 A 44 VAL HA A 44 VAL HGx% 1.0 1.8 3.5 675 504 A 44 VAL HGy% A 44 VAL HA 1.0 1.8 3.5 676 505 A 44 VAL HA A 45 ALA H 1.0 1.8 3.5 677 506 A 44 VAL HB A 45 ALA H 1.0 1.8 5.0 678 507 A 45 ALA H A 44 VAL HGx% 1.0 1.8 3.5 679 507 A 44 VAL HGy% A 45 ALA H 1.0 1.8 3.5 680 508 A 46 GLY H A 44 VAL HGx% 1.0 1.8 5.0 681 508 A 44 VAL HGy% A 46 GLY H 1.0 1.8 5.0 682 509 A 47 ALA H A 44 VAL HGx% 1.0 1.8 5.0 683 509 A 47 ALA H A 44 VAL HGy% 1.0 1.8 5.0 684 510 A 47 ALA HB% A 44 VAL HGx% 1.0 1.8 3.5 685 510 A 47 ALA HB% A 44 VAL HGy% 1.0 1.8 3.5 686 511 A 44 VAL HGy% A 62 ARG HDx 1.0 1.8 5.0 687 511 A 44 VAL HGx% A 62 ARG HDx 1.0 1.8 5.0 688 511 A 62 ARG HDy A 44 VAL HGx% 1.0 1.8 5.0 689 511 A 44 VAL HGy% A 62 ARG HDy 1.0 1.8 5.0 690 512 A 64 LEU HA A 44 VAL HGx% 1.0 1.8 5.0 691 512 A 44 VAL HGy% A 64 LEU HA 1.0 1.8 5.0 692 513 A 64 LEU HG A 44 VAL HGx% 1.0 1.8 5.0 693 513 A 44 VAL HGy% A 64 LEU HG 1.0 1.8 5.0 694 514 A 44 VAL HGy% A 65 PRO HDx 1.0 1.8 5.0 695 514 A 44 VAL HGx% A 65 PRO HDx 1.0 1.8 5.0 696 514 A 65 PRO HDy A 44 VAL HGx% 1.0 1.8 5.0 697 514 A 44 VAL HGy% A 65 PRO HDy 1.0 1.8 5.0 698 515 A 45 ALA H A 45 ALA HB% 1.0 1.8 3.5 699 516 A 46 GLY H A 45 ALA HA 1.0 1.8 3.5 700 517 A 46 GLY H A 45 ALA HB% 1.0 1.8 3.5 701 518 A 47 ALA H A 45 ALA HB% 1.0 1.8 6.0 702 519 A 47 ALA H A 46 GLY H 1.0 1.8 3.5 703 520 A 47 ALA HB% A 47 ALA H 1.0 1.8 3.5 704 521 A 47 ALA H A 65 PRO HDx 1.0 1.8 5.0 705 521 A 47 ALA H A 65 PRO HDy 1.0 1.8 5.0 706 522 A 47 ALA HA A 48 PHE H 1.0 1.8 3.5 707 523 A 64 LEU HA A 47 ALA HA 1.0 1.8 5.0 708 524 A 47 ALA HA A 65 PRO HDx 1.0 1.8 5.0 709 524 A 65 PRO HDy A 47 ALA HA 1.0 1.8 5.0 710 525 A 47 ALA HA A 65 PRO HGy 1.0 1.8 5.0 711 525 A 47 ALA HA A 65 PRO HGx 1.0 1.8 5.0 712 526 A 47 ALA HB% A 48 PHE H 1.0 1.8 5.0 713 527 A 47 ALA HB% A 63 ILE H 1.0 1.8 6.0 714 528 A 47 ALA HB% A 64 LEU H 1.0 1.8 6.0 715 529 A 47 ALA HB% A 64 LEU HA 1.0 1.8 5.0 716 530 A 47 ALA HB% A 64 LEU HDx% 1.0 1.8 5.0 717 531 A 47 ALA HB% A 65 PRO HDx 1.0 1.8 3.5 718 531 A 47 ALA HB% A 65 PRO HDy 1.0 1.8 3.5 719 532 A 48 PHE H A 48 PHE HBx 1.0 1.8 5.0 720 532 A 48 PHE HBy A 48 PHE H 1.0 1.8 5.0 721 533 A 48 PHE HD% A 48 PHE H 1.0 1.8 5.0 722 534 A 48 PHE H A 63 ILE H 1.0 1.8 5.0 723 535 A 48 PHE H A 63 ILE HB 1.0 1.8 5.0 724 536 A 48 PHE H A 63 ILE HG2% 1.0 1.8 5.0 725 537 A 64 LEU HA A 48 PHE H 1.0 1.8 5.0 726 538 A 48 PHE H A 64 LEU HDx% 1.0 1.8 5.0 727 539 A 48 PHE HA A 48 PHE HD% 1.0 1.8 5.0 728 540 A 48 PHE HA A 49 ALA H 1.0 1.8 3.5 729 541 A 48 PHE HBy A 49 ALA H 1.0 1.8 5.0 730 542 A 48 PHE HBy A 63 ILE HD1% 1.0 1.8 5.0 731 543 A 87 LEU HDy% A 48 PHE HBy 1.0 1.8 6.0 732 544 A 49 ALA H A 48 PHE HBx 1.0 1.8 5.0 733 545 A 63 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 734 546 A 87 LEU HDy% A 48 PHE HBx 1.0 1.8 6.0 735 547 A 49 ALA H A 48 PHE HBx 1.0 1.8 5.0 736 547 A 48 PHE HBy A 49 ALA H 1.0 1.8 5.0 737 548 A 63 ILE H A 48 PHE HBx 1.0 1.8 5.0 738 548 A 48 PHE HBy A 63 ILE H 1.0 1.8 5.0 739 549 A 63 ILE HB A 48 PHE HBx 1.0 1.8 5.0 740 549 A 48 PHE HBy A 63 ILE HB 1.0 1.8 5.0 741 550 A 63 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 742 550 A 48 PHE HBy A 63 ILE HD1% 1.0 1.8 5.0 743 551 A 63 ILE HG2% A 48 PHE HBx 1.0 1.8 5.0 744 551 A 48 PHE HBy A 63 ILE HG2% 1.0 1.8 5.0 745 552 A 48 PHE HD% A 63 ILE HB 1.0 1.8 5.0 746 553 A 48 PHE HD% A 63 ILE HD1% 1.0 1.8 6.0 747 554 A 48 PHE HD% A 63 ILE HG2% 1.0 1.8 5.0 748 555 A 48 PHE HD% A 71 LEU HDx% 1.0 1.8 6.0 749 556 A 48 PHE HD% A 87 LEU HDx% 1.0 1.8 6.0 750 557 A 87 LEU HDy% A 48 PHE HD% 1.0 1.8 5.0 751 558 A 49 ALA H A 49 ALA HB% 1.0 1.8 5.0 752 559 A 50 LEU H A 49 ALA HA 1.0 1.8 3.5 753 560 A 49 ALA HA A 61 TYR HBy 1.0 1.8 6.0 754 561 A 49 ALA HA A 62 ARG HA 1.0 1.8 5.0 755 562 A 49 ALA HA A 63 ILE H 1.0 1.8 5.0 756 563 A 63 ILE HD1% A 49 ALA HA 1.0 1.8 6.0 757 564 A 49 ALA HB% A 50 LEU H 1.0 1.8 5.0 758 565 A 50 LEU HBy A 50 LEU H 1.0 1.8 5.0 759 566 A 50 LEU H A 50 LEU HBx 1.0 1.8 5.0 760 567 A 50 LEU H A 50 LEU HG 1.0 1.8 5.0 761 568 A 50 LEU HDx% A 50 LEU H 1.0 1.8 5.0 762 569 A 50 LEU HDy% A 50 LEU H 1.0 1.8 5.0 763 570 A 50 LEU H A 60 THR HG2% 1.0 1.8 6.0 764 571 A 50 LEU H A 61 TYR H 1.0 1.8 5.0 765 572 A 50 LEU H A 61 TYR HBy 1.0 1.8 5.0 766 573 A 50 LEU H A 62 ARG HA 1.0 1.8 5.0 767 574 A 63 ILE HD1% A 50 LEU H 1.0 1.8 5.0 768 575 A 50 LEU H A 63 ILE HG1x 1.0 1.8 6.0 769 575 A 50 LEU H A 63 ILE HG1y 1.0 1.8 6.0 770 576 A 50 LEU HDx% A 50 LEU HA 1.0 1.8 3.5 771 577 A 50 LEU HDy% A 50 LEU HA 1.0 1.8 5.0 772 578 A 51 CYS H A 50 LEU HA 1.0 1.8 3.5 773 579 A 50 LEU HA A 63 ILE HD1% 1.0 1.8 6.0 774 580 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 3.5 775 581 A 50 LEU HDy% A 50 LEU HBy 1.0 1.8 5.0 776 582 A 50 LEU HBy A 61 TYR HBy 1.0 1.8 5.0 777 583 A 63 ILE HD1% A 50 LEU HBy 1.0 1.8 5.0 778 584 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 5.0 779 585 A 50 LEU HDy% A 50 LEU HBx 1.0 1.8 5.0 780 586 A 51 CYS H A 50 LEU HBx 1.0 1.8 5.0 781 587 A 50 LEU HBx A 61 TYR H 1.0 1.8 5.0 782 588 A 61 TYR HBy A 50 LEU HBx 1.0 1.8 5.0 783 589 A 50 LEU HBx A 61 TYR HBx 1.0 1.8 5.0 784 590 A 63 ILE HD1% A 50 LEU HBx 1.0 1.8 5.0 785 591 A 50 LEU HBx A 63 ILE HG1x 1.0 1.8 5.0 786 591 A 50 LEU HBx A 63 ILE HG1y 1.0 1.8 5.0 787 592 A 50 LEU HG A 101 LEU HDx% 1.0 1.8 6.0 788 593 A 105 LEU HDx% A 50 LEU HG 1.0 1.8 6.0 789 594 A 105 LEU HDy% A 50 LEU HG 1.0 1.8 6.0 790 595 A 51 CYS H A 50 LEU HG 1.0 1.8 5.0 791 596 A 52 VAL HGy% A 50 LEU HG 1.0 1.8 5.0 792 597 A 61 TYR HBy A 50 LEU HG 1.0 1.8 5.0 793 598 A 50 LEU HG A 61 TYR HBx 1.0 1.8 6.0 794 599 A 50 LEU HG A 61 TYR HD% 1.0 1.8 5.0 795 600 A 50 LEU HDx% A 105 LEU HDx% 1.0 1.8 5.0 796 601 A 105 LEU HDy% A 50 LEU HDx% 1.0 1.8 3.5 797 602 A 51 CYS H A 50 LEU HDx% 1.0 1.8 3.5 798 603 A 52 VAL HA A 50 LEU HDx% 1.0 1.8 5.0 799 604 A 50 LEU HDx% A 52 VAL HGy% 1.0 1.8 3.5 800 605 A 50 LEU HDx% A 60 THR HA 1.0 1.8 6.0 801 606 A 50 LEU HDx% A 91 ILE HD1% 1.0 1.8 5.0 802 607 A 50 LEU HDy% A 101 LEU HDx% 1.0 1.8 5.0 803 608 A 50 LEU HDy% A 101 LEU HDy% 1.0 1.8 5.0 804 609 A 50 LEU HDy% A 105 LEU HDx% 1.0 1.8 5.0 805 610 A 51 CYS H A 50 LEU HDy% 1.0 1.8 5.0 806 611 A 50 LEU HDy% A 61 TYR HBy 1.0 1.8 5.0 807 612 A 50 LEU HDy% A 61 TYR HBx 1.0 1.8 5.0 808 613 A 50 LEU HDy% A 61 TYR HD% 1.0 1.8 5.0 809 614 A 50 LEU HDy% A 61 TYR HE% 1.0 1.8 5.0 810 615 A 50 LEU HDy% A 94 TYR HBx 1.0 1.8 6.0 811 616 A 51 CYS H A 51 CYS HBy 1.0 1.8 5.0 812 617 A 51 CYS H A 51 CYS HBx 1.0 1.8 5.0 813 618 A 51 CYS H A 51 CYS HBx 1.0 1.8 3.5 814 618 A 51 CYS H A 51 CYS HBy 1.0 1.8 3.5 815 619 A 51 CYS H A 60 THR HG2% 1.0 1.8 6.0 816 620 A 52 VAL H A 51 CYS HA 1.0 1.8 3.5 817 621 A 58 VAL HGx% A 51 CYS HA 1.0 1.8 5.0 818 622 A 51 CYS HA A 59 HIS H 1.0 1.8 6.0 819 623 A 60 THR HA A 51 CYS HA 1.0 1.8 5.0 820 624 A 60 THR HG2% A 51 CYS HA 1.0 1.8 5.0 821 625 A 61 TYR H A 51 CYS HA 1.0 1.8 5.0 822 626 A 52 VAL H A 51 CYS HBy 1.0 1.8 5.0 823 627 A 52 VAL H A 51 CYS HBx 1.0 1.8 5.0 824 628 A 52 VAL H A 51 CYS HBx 1.0 1.8 5.0 825 628 A 52 VAL H A 51 CYS HBy 1.0 1.8 5.0 826 629 A 58 VAL HGx% A 51 CYS HBx 1.0 1.8 5.0 827 629 A 58 VAL HGx% A 51 CYS HBy 1.0 1.8 5.0 828 630 A 60 THR HA A 51 CYS HBx 1.0 1.8 6.0 829 630 A 51 CYS HBy A 60 THR HA 1.0 1.8 6.0 830 631 A 52 VAL H A 52 VAL HB 1.0 1.8 5.0 831 632 A 52 VAL H A 52 VAL HGx% 1.0 1.8 5.0 832 633 A 52 VAL H A 52 VAL HGy% 1.0 1.8 3.5 833 634 A 52 VAL H A 58 VAL HA 1.0 1.8 5.0 834 635 A 58 VAL HGx% A 52 VAL H 1.0 1.8 5.0 835 636 A 52 VAL H A 59 HIS H 1.0 1.8 5.0 836 637 A 52 VAL H A 59 HIS HBy 1.0 1.8 6.0 837 638 A 52 VAL H A 59 HIS HBx 1.0 1.8 6.0 838 639 A 52 VAL H A 59 HIS HBx 1.0 1.8 5.0 839 639 A 52 VAL H A 59 HIS HBy 1.0 1.8 5.0 840 640 A 52 VAL H A 60 THR HA 1.0 1.8 5.0 841 641 A 52 VAL HA A 105 LEU HDy% 1.0 1.8 6.0 842 642 A 52 VAL HA A 52 VAL HGx% 1.0 1.8 3.5 843 643 A 52 VAL HA A 52 VAL HGy% 1.0 1.8 5.0 844 644 A 52 VAL HA A 53 LEU H 1.0 1.8 3.5 845 645 A 52 VAL HB A 102 VAL HGx% 1.0 1.8 6.0 846 646 A 52 VAL HB A 102 VAL HGy% 1.0 1.8 6.0 847 647 A 105 LEU HDy% A 52 VAL HB 1.0 1.8 6.0 848 648 A 53 LEU H A 52 VAL HB 1.0 1.8 5.0 849 649 A 52 VAL HB A 59 HIS H 1.0 1.8 5.0 850 650 A 52 VAL HB A 59 HIS HBy 1.0 1.8 5.0 851 651 A 52 VAL HB A 59 HIS HBx 1.0 1.8 5.0 852 652 A 52 VAL HB A 59 HIS HBx 1.0 1.8 5.0 853 652 A 52 VAL HB A 59 HIS HBy 1.0 1.8 5.0 854 653 A 52 VAL HB A 61 TYR HE% 1.0 1.8 5.0 855 654 A 52 VAL HGx% A 101 LEU HDx% 1.0 1.8 5.0 856 655 A 52 VAL HGx% A 102 VAL HGx% 1.0 1.8 5.0 857 656 A 52 VAL HGx% A 102 VAL HGy% 1.0 1.8 5.0 858 657 A 52 VAL HGx% A 103 CYS HBx 1.0 1.8 5.0 859 657 A 52 VAL HGx% A 103 CYS HBy 1.0 1.8 5.0 860 658 A 52 VAL HGx% A 105 LEU HA 1.0 1.8 6.0 861 659 A 52 VAL HGx% A 105 LEU HDy% 1.0 1.8 3.5 862 660 A 53 LEU H A 52 VAL HGx% 1.0 1.8 3.5 863 661 A 52 VAL HGx% A 54 TYR HBx 1.0 1.8 5.0 864 661 A 52 VAL HGx% A 54 TYR HBy 1.0 1.8 5.0 865 662 A 54 TYR HD% A 52 VAL HGx% 1.0 1.8 5.0 866 663 A 52 VAL HGx% A 59 HIS HBy 1.0 1.8 6.0 867 664 A 52 VAL HGx% A 59 HIS HBx 1.0 1.8 6.0 868 665 A 52 VAL HGx% A 61 TYR HE% 1.0 1.8 5.0 869 666 A 52 VAL HGy% A 101 LEU HDx% 1.0 1.8 5.0 870 667 A 52 VAL HGy% A 105 LEU HA 1.0 1.8 6.0 871 668 A 105 LEU HDy% A 52 VAL HGy% 1.0 1.8 3.5 872 669 A 53 LEU H A 52 VAL HGy% 1.0 1.8 5.0 873 670 A 52 VAL HGy% A 59 HIS HBy 1.0 1.8 6.0 874 671 A 52 VAL HGy% A 59 HIS HBx 1.0 1.8 6.0 875 672 A 52 VAL HGy% A 61 TYR HD% 1.0 1.8 5.0 876 673 A 52 VAL HGy% A 61 TYR HE% 1.0 1.8 3.5 877 674 A 53 LEU H A 53 LEU HBy 1.0 1.8 5.0 878 675 A 53 LEU H A 53 LEU HBx 1.0 1.8 5.0 879 676 A 53 LEU H A 53 LEU HG 1.0 1.8 5.0 880 677 A 53 LEU H A 53 LEU HDx% 1.0 1.8 5.0 881 678 A 53 LEU H A 53 LEU HDy% 1.0 1.8 5.0 882 679 A 53 LEU HG A 53 LEU HA 1.0 1.8 5.0 883 680 A 53 LEU HDx% A 53 LEU HA 1.0 1.8 3.5 884 681 A 53 LEU HDy% A 53 LEU HA 1.0 1.8 5.0 885 682 A 53 LEU HA A 54 TYR H 1.0 1.8 3.5 886 683 A 53 LEU HA A 57 HIS H 1.0 1.8 6.0 887 684 A 58 VAL HA A 53 LEU HA 1.0 1.8 5.0 888 685 A 58 VAL HGx% A 53 LEU HA 1.0 1.8 5.0 889 686 A 59 HIS H A 53 LEU HA 1.0 1.8 5.0 890 687 A 53 LEU HBy A 53 LEU HDx% 1.0 1.8 5.0 891 688 A 53 LEU HDy% A 53 LEU HBy 1.0 1.8 3.5 892 689 A 53 LEU HBy A 54 TYR H 1.0 1.8 5.0 893 690 A 53 LEU HBy A 58 VAL HA 1.0 1.8 6.0 894 691 A 53 LEU HBx A 53 LEU HDx% 1.0 1.8 5.0 895 692 A 53 LEU HDy% A 53 LEU HBx 1.0 1.8 3.5 896 693 A 53 LEU HBx A 54 TYR H 1.0 1.8 5.0 897 694 A 53 LEU HG A 54 TYR H 1.0 1.8 5.0 898 695 A 53 LEU HG A 56 LYS H 1.0 1.8 5.0 899 696 A 53 LEU HDx% A 54 TYR H 1.0 1.8 5.0 900 697 A 53 LEU HDx% A 56 LYS H 1.0 1.8 5.0 901 698 A 53 LEU HDx% A 56 LYS HA 1.0 1.8 5.0 902 699 A 53 LEU HDx% A 57 HIS H 1.0 1.8 5.0 903 700 A 53 LEU HDx% A 57 HIS HBx 1.0 1.8 5.0 904 700 A 53 LEU HDx% A 57 HIS HBy 1.0 1.8 5.0 905 701 A 53 LEU HDx% A 58 VAL H 1.0 1.8 5.0 906 702 A 58 VAL HA A 53 LEU HDx% 1.0 1.8 5.0 907 703 A 59 HIS H A 53 LEU HDx% 1.0 1.8 6.0 908 704 A 53 LEU HDy% A 54 TYR H 1.0 1.8 5.0 909 705 A 53 LEU HDy% A 56 LYS H 1.0 1.8 5.0 910 706 A 53 LEU HDy% A 56 LYS HA 1.0 1.8 5.0 911 707 A 54 TYR HD% A 54 TYR H 1.0 1.8 5.0 912 708 A 54 TYR H A 57 HIS H 1.0 1.8 5.0 913 709 A 54 TYR H A 57 HIS HBx 1.0 1.8 5.0 914 709 A 54 TYR H A 57 HIS HBy 1.0 1.8 5.0 915 710 A 58 VAL HA A 54 TYR H 1.0 1.8 5.0 916 711 A 58 VAL HGy% A 54 TYR H 1.0 1.8 5.0 917 712 A 54 TYR HA A 54 TYR HD% 1.0 1.8 5.0 918 713 A 54 TYR HA A 55 GLN H 1.0 1.8 3.5 919 714 A 54 TYR HA A 56 LYS H 1.0 1.8 5.0 920 715 A 102 VAL HGy% A 54 TYR HBy 1.0 1.8 5.0 921 716 A 102 VAL HGy% A 54 TYR HBx 1.0 1.8 5.0 922 717 A 102 VAL HGx% A 54 TYR HBx 1.0 1.8 5.0 923 717 A 102 VAL HGx% A 54 TYR HBy 1.0 1.8 5.0 924 718 A 54 TYR HD% A 102 VAL HB 1.0 1.8 5.0 925 719 A 54 TYR HD% A 102 VAL HGy% 1.0 1.8 5.0 926 720 A 54 TYR HD% A 55 GLN H 1.0 1.8 5.0 927 721 A 102 VAL HGy% A 54 TYR HE% 1.0 1.8 6.0 928 722 A 55 GLN H A 55 GLN HGy 1.0 1.8 5.0 929 723 A 55 GLN H A 55 GLN HGx 1.0 1.8 5.0 930 724 A 56 LYS H A 55 GLN H 1.0 1.8 5.0 931 725 A 55 GLN HA A 55 GLN HGy 1.0 1.8 5.0 932 726 A 55 GLN HA A 55 GLN HGx 1.0 1.8 5.0 933 727 A 55 GLN HA A 55 GLN HGx 1.0 1.8 3.5 934 727 A 55 GLN HA A 55 GLN HGy 1.0 1.8 3.5 935 728 A 56 LYS H A 55 GLN HA 1.0 1.8 3.5 936 729 A 57 HIS H A 55 GLN HA 1.0 1.8 5.0 937 730 A 55 GLN HE2x A 55 GLN HGx 1.0 1.8 3.5 938 730 A 55 GLN HE2y A 55 GLN HGx 1.0 1.8 3.5 939 730 A 55 GLN HGy A 55 GLN HE2x 1.0 1.8 3.5 940 730 A 55 GLN HGy A 55 GLN HE2y 1.0 1.8 3.5 941 731 A 56 LYS H A 56 LYS HGx 1.0 1.8 5.0 942 731 A 56 LYS H A 56 LYS HGy 1.0 1.8 5.0 943 732 A 57 HIS H A 56 LYS H 1.0 1.8 5.0 944 733 A 56 LYS HA A 56 LYS HDx 1.0 1.8 5.0 945 733 A 56 LYS HA A 56 LYS HDy 1.0 1.8 5.0 946 734 A 56 LYS HA A 56 LYS HGx 1.0 1.8 3.5 947 734 A 56 LYS HA A 56 LYS HGy 1.0 1.8 3.5 948 735 A 56 LYS HBy A 56 LYS HDx 1.0 1.8 5.0 949 735 A 56 LYS HDy A 56 LYS HBy 1.0 1.8 5.0 950 736 A 56 LYS HBx A 56 LYS HDx 1.0 1.8 5.0 951 736 A 56 LYS HDy A 56 LYS HBx 1.0 1.8 5.0 952 737 A 102 VAL HGy% A 57 HIS H 1.0 1.8 6.0 953 738 A 57 HIS H A 57 HIS HBx 1.0 1.8 3.5 954 738 A 57 HIS H A 57 HIS HBy 1.0 1.8 3.5 955 739 A 58 VAL H A 57 HIS HA 1.0 1.8 3.5 956 740 A 102 VAL HGx% A 57 HIS HBx 1.0 1.8 5.0 957 740 A 102 VAL HGx% A 57 HIS HBy 1.0 1.8 5.0 958 741 A 102 VAL HGy% A 57 HIS HBx 1.0 1.8 5.0 959 741 A 102 VAL HGy% A 57 HIS HBy 1.0 1.8 5.0 960 742 A 58 VAL H A 57 HIS HBx 1.0 1.8 5.0 961 742 A 57 HIS HBy A 58 VAL H 1.0 1.8 5.0 962 743 A 58 VAL H A 58 VAL HB 1.0 1.8 3.5 963 744 A 58 VAL HGx% A 58 VAL H 1.0 1.8 5.0 964 745 A 58 VAL HGy% A 58 VAL H 1.0 1.8 3.5 965 746 A 58 VAL HGx% A 58 VAL HA 1.0 1.8 3.5 966 747 A 58 VAL HGy% A 58 VAL HA 1.0 1.8 3.5 967 748 A 59 HIS H A 58 VAL HA 1.0 1.8 3.5 968 749 A 58 VAL HGx% A 59 HIS H 1.0 1.8 5.0 969 750 A 58 VAL HGy% A 59 HIS H 1.0 1.8 5.0 970 751 A 59 HIS H A 102 VAL HGx% 1.0 1.8 6.0 971 752 A 59 HIS H A 59 HIS HBx 1.0 1.8 5.0 972 752 A 59 HIS H A 59 HIS HBy 1.0 1.8 5.0 973 753 A 59 HIS H A 60 THR H 1.0 1.8 5.0 974 754 A 60 THR H A 59 HIS HA 1.0 1.8 3.5 975 755 A 59 HIS HBy A 102 VAL HGx% 1.0 1.8 5.0 976 756 A 59 HIS HBy A 102 VAL HGy% 1.0 1.8 6.0 977 757 A 59 HIS HBy A 60 THR H 1.0 1.8 5.0 978 758 A 61 TYR HE% A 59 HIS HBy 1.0 1.8 5.0 979 759 A 102 VAL HGx% A 59 HIS HBx 1.0 1.8 5.0 980 760 A 102 VAL HGy% A 59 HIS HBx 1.0 1.8 6.0 981 761 A 60 THR H A 59 HIS HBx 1.0 1.8 5.0 982 762 A 61 TYR HE% A 59 HIS HBx 1.0 1.8 5.0 983 763 A 102 VAL HGx% A 59 HIS HBx 1.0 1.8 5.0 984 763 A 59 HIS HBy A 102 VAL HGx% 1.0 1.8 5.0 985 764 A 102 VAL HGy% A 59 HIS HBx 1.0 1.8 5.0 986 764 A 59 HIS HBy A 102 VAL HGy% 1.0 1.8 5.0 987 765 A 60 THR H A 59 HIS HBx 1.0 1.8 5.0 988 765 A 59 HIS HBy A 60 THR H 1.0 1.8 5.0 989 766 A 61 TYR HE% A 59 HIS HBx 1.0 1.8 5.0 990 766 A 61 TYR HE% A 59 HIS HBy 1.0 1.8 5.0 991 767 A 60 THR H A 60 THR HB 1.0 1.8 5.0 992 768 A 60 THR HG2% A 60 THR H 1.0 1.8 5.0 993 769 A 61 TYR H A 60 THR H 1.0 1.8 6.0 994 770 A 60 THR HG2% A 60 THR HA 1.0 1.8 3.5 995 771 A 61 TYR H A 60 THR HA 1.0 1.8 3.5 996 772 A 61 TYR H A 60 THR HB 1.0 1.8 5.0 997 773 A 60 THR HG2% A 61 TYR H 1.0 1.8 5.0 998 774 A 61 TYR HBy A 61 TYR H 1.0 1.8 5.0 999 775 A 61 TYR H A 61 TYR HD% 1.0 1.8 5.0 1000 776 A 61 TYR HD% A 61 TYR HA 1.0 1.8 5.0 1001 777 A 61 TYR HA A 62 ARG H 1.0 1.8 3.5 1002 778 A 61 TYR HBy A 62 ARG H 1.0 1.8 5.0 1003 779 A 63 ILE HD1% A 61 TYR HBy 1.0 1.8 5.0 1004 780 A 61 TYR HBy A 73 VAL HGx% 1.0 1.8 5.0 1005 781 A 61 TYR HBy A 73 VAL HGy% 1.0 1.8 6.0 1006 782 A 61 TYR HBx A 62 ARG H 1.0 1.8 5.0 1007 783 A 61 TYR HBx A 73 VAL HGx% 1.0 1.8 5.0 1008 784 A 61 TYR HBx A 73 VAL HGy% 1.0 1.8 6.0 1009 785 A 61 TYR HD% A 101 LEU HDy% 1.0 1.8 5.0 1010 786 A 61 TYR HD% A 73 VAL HGx% 1.0 1.8 5.0 1011 787 A 61 TYR HD% A 75 THR HA 1.0 1.8 5.0 1012 788 A 61 TYR HD% A 75 THR HG2% 1.0 1.8 6.0 1013 789 A 61 TYR HE% A 101 LEU HA 1.0 1.8 5.0 1014 790 A 101 LEU HDx% A 61 TYR HE% 1.0 1.8 6.0 1015 791 A 101 LEU HDy% A 61 TYR HE% 1.0 1.8 5.0 1016 792 A 61 TYR HE% A 102 VAL HGx% 1.0 1.8 6.0 1017 793 A 62 ARG H A 62 ARG HBy 1.0 1.8 5.0 1018 794 A 62 ARG H A 62 ARG HBx 1.0 1.8 5.0 1019 795 A 62 ARG H A 62 ARG HGy 1.0 1.8 5.0 1020 796 A 62 ARG H A 62 ARG HGx 1.0 1.8 5.0 1021 797 A 62 ARG H A 62 ARG HBx 1.0 1.8 3.5 1022 797 A 62 ARG H A 62 ARG HBy 1.0 1.8 3.5 1023 798 A 62 ARG H A 62 ARG HGx 1.0 1.8 5.0 1024 798 A 62 ARG H A 62 ARG HGy 1.0 1.8 5.0 1025 799 A 62 ARG HA A 62 ARG HGx 1.0 1.8 5.0 1026 799 A 62 ARG HA A 62 ARG HGy 1.0 1.8 5.0 1027 800 A 63 ILE H A 62 ARG HA 1.0 1.8 3.5 1028 801 A 62 ARG HDy A 62 ARG HBy 1.0 1.8 5.0 1029 801 A 62 ARG HBy A 62 ARG HDx 1.0 1.8 5.0 1030 802 A 64 LEU HDx% A 62 ARG HBy 1.0 1.8 5.0 1031 803 A 62 ARG HDy A 62 ARG HBx 1.0 1.8 5.0 1032 803 A 62 ARG HBx A 62 ARG HDx 1.0 1.8 5.0 1033 804 A 64 LEU HDx% A 62 ARG HBx 1.0 1.8 5.0 1034 805 A 62 ARG HBx A 62 ARG HDx 1.0 1.8 3.5 1035 805 A 62 ARG HBy A 62 ARG HDx 1.0 1.8 3.5 1036 805 A 62 ARG HDy A 62 ARG HBx 1.0 1.8 3.5 1037 805 A 62 ARG HDy A 62 ARG HBy 1.0 1.8 3.5 1038 806 A 62 ARG HBy A 62 ARG HGx 1.0 1.8 2.7 1039 806 A 62 ARG HBx A 62 ARG HGx 1.0 1.8 2.7 1040 806 A 62 ARG HGy A 62 ARG HBx 1.0 1.8 2.7 1041 806 A 62 ARG HBy A 62 ARG HGy 1.0 1.8 2.7 1042 807 A 63 ILE H A 62 ARG HBx 1.0 1.8 5.0 1043 807 A 63 ILE H A 62 ARG HBy 1.0 1.8 5.0 1044 808 A 64 LEU HDx% A 62 ARG HBx 1.0 1.8 5.0 1045 808 A 64 LEU HDx% A 62 ARG HBy 1.0 1.8 5.0 1046 809 A 64 LEU HDx% A 62 ARG HDx 1.0 1.8 5.0 1047 809 A 62 ARG HDy A 64 LEU HDx% 1.0 1.8 5.0 1048 810 A 63 ILE H A 63 ILE HG1y 1.0 1.8 5.0 1049 811 A 63 ILE H A 63 ILE HG1x 1.0 1.8 5.0 1050 812 A 63 ILE HD1% A 63 ILE H 1.0 1.8 5.0 1051 813 A 63 ILE H A 63 ILE HG1x 1.0 1.8 5.0 1052 813 A 63 ILE H A 63 ILE HG1y 1.0 1.8 5.0 1053 814 A 63 ILE H A 63 ILE HG2% 1.0 1.8 5.0 1054 815 A 63 ILE HD1% A 63 ILE HA 1.0 1.8 5.0 1055 816 A 63 ILE HA A 63 ILE HG1x 1.0 1.8 5.0 1056 816 A 63 ILE HG1y A 63 ILE HA 1.0 1.8 5.0 1057 817 A 63 ILE HG2% A 63 ILE HA 1.0 1.8 5.0 1058 818 A 64 LEU H A 63 ILE HA 1.0 1.8 3.5 1059 819 A 63 ILE HD1% A 63 ILE HB 1.0 1.8 5.0 1060 820 A 63 ILE HG1y A 73 VAL HA 1.0 1.8 5.0 1061 821 A 73 VAL HA A 63 ILE HG1x 1.0 1.8 5.0 1062 822 A 63 ILE HD1% A 73 VAL HA 1.0 1.8 5.0 1063 823 A 87 LEU HDy% A 63 ILE HD1% 1.0 1.8 5.0 1064 824 A 63 ILE HD1% A 90 LEU HDy% 1.0 1.8 3.5 1065 825 A 91 ILE HD1% A 63 ILE HD1% 1.0 1.8 6.0 1066 826 A 73 VAL HA A 63 ILE HG1x 1.0 1.8 5.0 1067 826 A 63 ILE HG1y A 73 VAL HA 1.0 1.8 5.0 1068 827 A 63 ILE HD1% A 63 ILE HG2% 1.0 1.8 3.5 1069 828 A 64 LEU H A 63 ILE HG2% 1.0 1.8 5.0 1070 829 A 63 ILE HG2% A 71 LEU HA 1.0 1.8 6.0 1071 830 A 63 ILE HG2% A 71 LEU HBy 1.0 1.8 5.0 1072 830 A 63 ILE HG2% A 71 LEU HBx 1.0 1.8 5.0 1073 831 A 63 ILE HG2% A 72 ALA H 1.0 1.8 5.0 1074 832 A 63 ILE HG2% A 73 VAL H 1.0 1.8 6.0 1075 833 A 63 ILE HG2% A 73 VAL HA 1.0 1.8 5.0 1076 834 A 63 ILE HG2% A 84 PHE HD% 1.0 1.8 5.0 1077 835 A 87 LEU HDy% A 63 ILE HG2% 1.0 1.8 5.0 1078 836 A 64 LEU H A 64 LEU HBy 1.0 1.8 5.0 1079 837 A 64 LEU H A 64 LEU HBx 1.0 1.8 5.0 1080 838 A 64 LEU HG A 64 LEU H 1.0 1.8 5.0 1081 839 A 64 LEU H A 64 LEU HDx% 1.0 1.8 5.0 1082 840 A 64 LEU H A 64 LEU HDy% 1.0 1.8 5.0 1083 841 A 64 LEU H A 73 VAL HA 1.0 1.8 6.0 1084 842 A 64 LEU HA A 64 LEU HG 1.0 1.8 5.0 1085 843 A 64 LEU HA A 64 LEU HDx% 1.0 1.8 3.5 1086 844 A 64 LEU HA A 65 PRO HDx 1.0 1.8 3.5 1087 844 A 64 LEU HA A 65 PRO HDy 1.0 1.8 3.5 1088 845 A 64 LEU HA A 65 PRO HGy 1.0 1.8 5.0 1089 845 A 64 LEU HA A 65 PRO HGx 1.0 1.8 5.0 1090 846 A 64 LEU HDx% A 64 LEU HBy 1.0 1.8 3.5 1091 847 A 65 PRO HDy A 64 LEU HBy 1.0 1.8 5.0 1092 847 A 64 LEU HBy A 65 PRO HDx 1.0 1.8 5.0 1093 848 A 64 LEU HDx% A 64 LEU HBx 1.0 1.8 3.5 1094 849 A 65 PRO HDy A 64 LEU HBx 1.0 1.8 5.0 1095 849 A 64 LEU HBx A 65 PRO HDx 1.0 1.8 5.0 1096 850 A 64 LEU HG A 65 PRO HDx 1.0 1.8 5.0 1097 850 A 64 LEU HG A 65 PRO HDy 1.0 1.8 5.0 1098 851 A 64 LEU HG A 64 LEU HBy 1.0 1.8 2.7 1099 851 A 64 LEU HG A 64 LEU HBx 1.0 1.8 2.7 1100 852 A 64 LEU HDy% A 64 LEU HBy 1.0 1.8 3.5 1101 852 A 64 LEU HDy% A 64 LEU HBx 1.0 1.8 3.5 1102 853 A 64 LEU HBx A 65 PRO HDx 1.0 1.8 5.0 1103 853 A 64 LEU HBy A 65 PRO HDx 1.0 1.8 5.0 1104 853 A 65 PRO HDy A 64 LEU HBy 1.0 1.8 5.0 1105 853 A 65 PRO HDy A 64 LEU HBx 1.0 1.8 5.0 1106 854 A 64 LEU HDx% A 65 PRO HDx 1.0 1.8 5.0 1107 854 A 65 PRO HDy A 64 LEU HDx% 1.0 1.8 5.0 1108 855 A 65 PRO HA A 66 ASP H 1.0 1.8 5.0 1109 856 A 71 LEU HA A 65 PRO HA 1.0 1.8 3.5 1110 857 A 65 PRO HA A 71 LEU HDy% 1.0 1.8 6.0 1111 858 A 66 ASP H A 65 PRO HBy 1.0 1.8 5.0 1112 859 A 66 ASP H A 65 PRO HBx 1.0 1.8 5.0 1113 860 A 66 ASP H A 65 PRO HBy 1.0 1.8 5.0 1114 860 A 66 ASP H A 65 PRO HBx 1.0 1.8 5.0 1115 861 A 67 GLY H A 66 ASP HBy 1.0 1.8 5.0 1116 862 A 67 GLY H A 66 ASP HBx 1.0 1.8 5.0 1117 863 A 67 GLY H A 66 ASP HBx 1.0 1.8 5.0 1118 863 A 67 GLY H A 66 ASP HBy 1.0 1.8 5.0 1119 864 A 67 GLY H A 68 GLU H 1.0 1.8 5.0 1120 865 A 68 GLU H A 68 GLU HBx 1.0 1.8 3.5 1121 865 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.5 1122 866 A 68 GLU H A 68 GLU HGx 1.0 1.8 4.0 1123 866 A 68 GLU H A 68 GLU HGy 1.0 1.8 4.0 1124 867 A 68 GLU HA A 68 GLU HGx 1.0 1.8 3.5 1125 867 A 68 GLU HGy A 68 GLU HA 1.0 1.8 3.5 1126 868 A 68 GLU HBy A 69 ASP H 1.0 1.8 5.0 1127 869 A 69 ASP H A 68 GLU HBx 1.0 1.8 5.0 1128 870 A 69 ASP H A 68 GLU HBx 1.0 1.8 5.0 1129 870 A 68 GLU HBy A 69 ASP H 1.0 1.8 5.0 1130 871 A 69 ASP H A 68 GLU HGx 1.0 1.8 5.0 1131 871 A 68 GLU HGy A 69 ASP H 1.0 1.8 5.0 1132 872 A 69 ASP H A 70 PHE H 1.0 1.8 5.0 1133 873 A 70 PHE H A 69 ASP HBy 1.0 1.8 5.0 1134 873 A 70 PHE H A 69 ASP HBx 1.0 1.8 5.0 1135 874 A 70 PHE H A 70 PHE HBx 1.0 1.8 5.0 1136 874 A 70 PHE H A 70 PHE HBy 1.0 1.8 5.0 1137 875 A 70 PHE H A 70 PHE HD% 1.0 1.8 5.0 1138 876 A 70 PHE HD% A 70 PHE HA 1.0 1.8 5.0 1139 877 A 70 PHE HA A 71 LEU H 1.0 1.8 3.5 1140 878 A 70 PHE HA A 83 ARG HBx 1.0 1.8 6.0 1141 878 A 70 PHE HA A 83 ARG HBy 1.0 1.8 6.0 1142 879 A 70 PHE HA A 85 GLN HA 1.0 1.8 5.0 1143 880 A 70 PHE HBy A 71 LEU H 1.0 1.8 5.0 1144 881 A 70 PHE HBy A 83 ARG HBy 1.0 1.8 5.0 1145 881 A 70 PHE HBy A 83 ARG HBx 1.0 1.8 5.0 1146 882 A 71 LEU H A 70 PHE HBx 1.0 1.8 5.0 1147 883 A 83 ARG HBy A 70 PHE HBx 1.0 1.8 5.0 1148 883 A 70 PHE HBx A 83 ARG HBx 1.0 1.8 5.0 1149 884 A 71 LEU H A 70 PHE HBx 1.0 1.8 5.0 1150 884 A 70 PHE HBy A 71 LEU H 1.0 1.8 5.0 1151 885 A 83 ARG HA A 70 PHE HBx 1.0 1.8 5.0 1152 885 A 70 PHE HBy A 83 ARG HA 1.0 1.8 5.0 1153 886 A 70 PHE HBy A 83 ARG HBx 1.0 1.8 5.0 1154 886 A 70 PHE HBx A 83 ARG HBx 1.0 1.8 5.0 1155 886 A 83 ARG HBy A 70 PHE HBx 1.0 1.8 5.0 1156 886 A 70 PHE HBy A 83 ARG HBy 1.0 1.8 5.0 1157 887 A 70 PHE HBy A 83 ARG HGy 1.0 1.8 5.0 1158 887 A 70 PHE HBx A 83 ARG HGy 1.0 1.8 5.0 1159 887 A 83 ARG HGx A 70 PHE HBx 1.0 1.8 5.0 1160 887 A 70 PHE HBy A 83 ARG HGx 1.0 1.8 5.0 1161 888 A 84 PHE H A 70 PHE HBx 1.0 1.8 5.0 1162 888 A 70 PHE HBy A 84 PHE H 1.0 1.8 5.0 1163 889 A 70 PHE HD% A 83 ARG HBx 1.0 1.8 5.0 1164 889 A 70 PHE HD% A 83 ARG HBy 1.0 1.8 5.0 1165 890 A 70 PHE HD% A 85 GLN HA 1.0 1.8 6.0 1166 891 A 71 LEU H A 71 LEU HBy 1.0 1.8 5.0 1167 891 A 71 LEU HBx A 71 LEU H 1.0 1.8 5.0 1168 892 A 71 LEU HDx% A 71 LEU H 1.0 1.8 5.0 1169 893 A 71 LEU HDy% A 71 LEU H 1.0 1.8 5.0 1170 894 A 71 LEU H A 85 GLN HA 1.0 1.8 6.0 1171 895 A 71 LEU HDx% A 71 LEU HA 1.0 1.8 5.0 1172 896 A 71 LEU HA A 71 LEU HDy% 1.0 1.8 5.0 1173 897 A 71 LEU HA A 72 ALA H 1.0 1.8 3.5 1174 898 A 71 LEU HDx% A 71 LEU HBy 1.0 1.8 5.0 1175 899 A 71 LEU HDy% A 71 LEU HBy 1.0 1.8 3.5 1176 900 A 71 LEU HDx% A 71 LEU HBx 1.0 1.8 5.0 1177 901 A 71 LEU HBx A 71 LEU HDy% 1.0 1.8 3.5 1178 902 A 71 LEU HBy A 84 PHE HBx 1.0 1.8 5.0 1179 902 A 71 LEU HBx A 84 PHE HBx 1.0 1.8 5.0 1180 902 A 84 PHE HBy A 71 LEU HBy 1.0 1.8 5.0 1181 902 A 71 LEU HBx A 84 PHE HBy 1.0 1.8 5.0 1182 903 A 84 PHE HD% A 71 LEU HBy 1.0 1.8 6.0 1183 903 A 71 LEU HBx A 84 PHE HD% 1.0 1.8 6.0 1184 904 A 71 LEU HDx% A 84 PHE HD% 1.0 1.8 5.0 1185 905 A 71 LEU HDx% A 86 THR H 1.0 1.8 6.0 1186 906 A 71 LEU HDx% A 86 THR HA 1.0 1.8 5.0 1187 907 A 72 ALA H A 72 ALA HB% 1.0 1.8 5.0 1188 908 A 73 VAL H A 72 ALA HA 1.0 1.8 3.5 1189 909 A 84 PHE HD% A 72 ALA HA 1.0 1.8 5.0 1190 910 A 72 ALA HA A 90 LEU HDx% 1.0 1.8 6.0 1191 911 A 73 VAL H A 72 ALA HB% 1.0 1.8 5.0 1192 912 A 72 ALA HB% A 82 ARG H 1.0 1.8 6.0 1193 913 A 72 ALA HB% A 82 ARG HA 1.0 1.8 6.0 1194 914 A 73 VAL H A 73 VAL HB 1.0 1.8 5.0 1195 915 A 73 VAL HGx% A 73 VAL H 1.0 1.8 5.0 1196 916 A 73 VAL HGy% A 73 VAL H 1.0 1.8 5.0 1197 917 A 73 VAL HGx% A 73 VAL HA 1.0 1.8 5.0 1198 918 A 73 VAL HGy% A 73 VAL HA 1.0 1.8 3.5 1199 919 A 73 VAL HA A 74 GLN H 1.0 1.8 3.5 1200 920 A 73 VAL HB A 74 GLN H 1.0 1.8 6.0 1201 921 A 75 THR HG2% A 73 VAL HB 1.0 1.8 5.0 1202 922 A 101 LEU HDy% A 73 VAL HGx% 1.0 1.8 5.0 1203 923 A 73 VAL HGx% A 74 GLN H 1.0 1.8 5.0 1204 924 A 73 VAL HGx% A 75 THR HA 1.0 1.8 5.0 1205 925 A 73 VAL HGx% A 94 TYR HE% 1.0 1.8 5.0 1206 926 A 101 LEU HDy% A 73 VAL HGy% 1.0 1.8 6.0 1207 927 A 73 VAL HGy% A 74 GLN H 1.0 1.8 5.0 1208 928 A 73 VAL HGy% A 94 TYR HE% 1.0 1.8 5.0 1209 929 A 74 GLN H A 74 GLN HBy 1.0 1.8 5.0 1210 930 A 74 GLN H A 74 GLN HBx 1.0 1.8 5.0 1211 931 A 74 GLN H A 74 GLN HGy 1.0 1.8 5.0 1212 931 A 74 GLN H A 74 GLN HGx 1.0 1.8 5.0 1213 932 A 74 GLN HA A 74 GLN HGy 1.0 1.8 5.0 1214 932 A 74 GLN HGx A 74 GLN HA 1.0 1.8 5.0 1215 933 A 74 GLN HA A 75 THR H 1.0 1.8 3.5 1216 934 A 75 THR H A 74 GLN HBy 1.0 1.8 6.0 1217 935 A 75 THR H A 74 GLN HBx 1.0 1.8 6.0 1218 936 A 74 GLN HE2y A 81 VAL HGy% 1.0 1.8 5.0 1219 937 A 81 VAL HGy% A 74 GLN HE2x 1.0 1.8 5.0 1220 938 A 74 GLN HBx A 74 GLN HGy 1.0 1.8 2.7 1221 938 A 74 GLN HBy A 74 GLN HGy 1.0 1.8 2.7 1222 938 A 74 GLN HGx A 74 GLN HBx 1.0 1.8 2.7 1223 938 A 74 GLN HGx A 74 GLN HBy 1.0 1.8 2.7 1224 939 A 75 THR H A 74 GLN HBx 1.0 1.8 5.0 1225 939 A 75 THR H A 74 GLN HBy 1.0 1.8 5.0 1226 940 A 74 GLN HGx A 74 GLN HE2y 1.0 1.8 3.5 1227 940 A 74 GLN HGx A 74 GLN HE2x 1.0 1.8 3.5 1228 940 A 74 GLN HE2x A 74 GLN HGy 1.0 1.8 3.5 1229 940 A 74 GLN HE2y A 74 GLN HGy 1.0 1.8 3.5 1230 941 A 75 THR H A 74 GLN HGy 1.0 1.8 5.0 1231 941 A 74 GLN HGx A 75 THR H 1.0 1.8 5.0 1232 942 A 75 THR HG2% A 75 THR H 1.0 1.8 5.0 1233 943 A 75 THR H A 81 VAL HGy% 1.0 1.8 5.0 1234 944 A 75 THR HA A 75 THR HG2% 1.0 1.8 3.5 1235 945 A 75 THR HB A 76 SER H 1.0 1.8 5.0 1236 946 A 75 THR HG2% A 100 GLY HAy 1.0 1.8 6.0 1237 947 A 75 THR HG2% A 100 GLY HAx 1.0 1.8 6.0 1238 948 A 76 SER H A 79 VAL HGy% 1.0 1.8 5.0 1239 948 A 76 SER H A 79 VAL HGx% 1.0 1.8 5.0 1240 949 A 76 SER HA A 79 VAL HGy% 1.0 1.8 5.0 1241 949 A 79 VAL HGx% A 76 SER HA 1.0 1.8 5.0 1242 950 A 77 GLN H A 76 SER HBx 1.0 1.8 5.0 1243 950 A 76 SER HBy A 77 GLN H 1.0 1.8 5.0 1244 951 A 79 VAL H A 76 SER HBx 1.0 1.8 6.0 1245 951 A 76 SER HBy A 79 VAL H 1.0 1.8 6.0 1246 952 A 76 SER HBx A 79 VAL HGy% 1.0 1.8 5.0 1247 952 A 79 VAL HGx% A 76 SER HBx 1.0 1.8 5.0 1248 952 A 79 VAL HGx% A 76 SER HBy 1.0 1.8 5.0 1249 952 A 76 SER HBy A 79 VAL HGy% 1.0 1.8 5.0 1250 953 A 77 GLN H A 77 GLN HBy 1.0 1.8 5.0 1251 954 A 77 GLN H A 77 GLN HBx 1.0 1.8 5.0 1252 955 A 77 GLN H A 77 GLN HBx 1.0 1.8 5.0 1253 955 A 77 GLN H A 77 GLN HBy 1.0 1.8 5.0 1254 956 A 77 GLN H A 77 GLN HGx 1.0 1.8 5.0 1255 956 A 77 GLN H A 77 GLN HGy 1.0 1.8 5.0 1256 957 A 77 GLN HA A 77 GLN HGx 1.0 1.8 5.0 1257 957 A 77 GLN HGy A 77 GLN HA 1.0 1.8 5.0 1258 958 A 79 VAL H A 77 GLN HA 1.0 1.8 5.0 1259 959 A 78 GLY H A 77 GLN HGx 1.0 1.8 6.0 1260 959 A 77 GLN HGy A 78 GLY H 1.0 1.8 6.0 1261 960 A 79 VAL H A 78 GLY H 1.0 1.8 5.0 1262 961 A 79 VAL H A 79 VAL HB 1.0 1.8 5.0 1263 962 A 79 VAL HGx% A 79 VAL H 1.0 1.8 5.0 1264 963 A 79 VAL H A 79 VAL HGy% 1.0 1.8 5.0 1265 964 A 79 VAL H A 79 VAL HGy% 1.0 1.8 3.5 1266 964 A 79 VAL HGx% A 79 VAL H 1.0 1.8 3.5 1267 965 A 79 VAL HGx% A 79 VAL HA 1.0 1.8 3.5 1268 966 A 79 VAL HA A 79 VAL HGy% 1.0 1.8 3.5 1269 967 A 79 VAL HA A 79 VAL HGy% 1.0 1.8 3.5 1270 967 A 79 VAL HGx% A 79 VAL HA 1.0 1.8 3.5 1271 968 A 79 VAL HA A 80 PRO HDy 1.0 1.8 3.5 1272 969 A 79 VAL HA A 80 PRO HDx 1.0 1.8 3.5 1273 970 A 79 VAL HA A 80 PRO HDx 1.0 1.8 2.7 1274 970 A 79 VAL HA A 80 PRO HDy 1.0 1.8 2.7 1275 971 A 79 VAL HA A 80 PRO HGy 1.0 1.8 5.0 1276 971 A 79 VAL HA A 80 PRO HGx 1.0 1.8 5.0 1277 972 A 79 VAL HB A 80 PRO HDy 1.0 1.8 5.0 1278 973 A 79 VAL HB A 80 PRO HDx 1.0 1.8 5.0 1279 974 A 79 VAL HB A 80 PRO HDx 1.0 1.8 5.0 1280 974 A 79 VAL HB A 80 PRO HDy 1.0 1.8 5.0 1281 975 A 79 VAL HGx% A 100 GLY HAy 1.0 1.8 6.0 1282 976 A 79 VAL HGx% A 100 GLY HAx 1.0 1.8 6.0 1283 977 A 79 VAL HGx% A 80 PRO HDy 1.0 1.8 5.0 1284 978 A 79 VAL HGx% A 80 PRO HDx 1.0 1.8 5.0 1285 979 A 79 VAL HGy% A 100 GLY HAy 1.0 1.8 6.0 1286 980 A 100 GLY HAx A 79 VAL HGy% 1.0 1.8 6.0 1287 981 A 80 PRO HDy A 79 VAL HGy% 1.0 1.8 5.0 1288 982 A 79 VAL HGy% A 80 PRO HDx 1.0 1.8 5.0 1289 983 A 79 VAL HGx% A 100 GLY HAy 1.0 1.8 5.0 1290 983 A 79 VAL HGy% A 100 GLY HAy 1.0 1.8 5.0 1291 983 A 100 GLY HAx A 79 VAL HGy% 1.0 1.8 5.0 1292 983 A 79 VAL HGx% A 100 GLY HAx 1.0 1.8 5.0 1293 984 A 79 VAL HGy% A 80 PRO HDx 1.0 1.8 3.5 1294 984 A 79 VAL HGx% A 80 PRO HDx 1.0 1.8 3.5 1295 984 A 80 PRO HDy A 79 VAL HGy% 1.0 1.8 3.5 1296 984 A 79 VAL HGx% A 80 PRO HDy 1.0 1.8 3.5 1297 985 A 80 PRO HA A 81 VAL H 1.0 1.8 3.5 1298 986 A 81 VAL H A 80 PRO HBy 1.0 1.8 5.0 1299 987 A 81 VAL H A 80 PRO HBx 1.0 1.8 5.0 1300 988 A 81 VAL H A 80 PRO HBy 1.0 1.8 5.0 1301 988 A 81 VAL H A 80 PRO HBx 1.0 1.8 5.0 1302 989 A 81 VAL H A 81 VAL HB 1.0 1.8 3.5 1303 990 A 81 VAL H A 81 VAL HGx% 1.0 1.8 5.0 1304 991 A 81 VAL HGy% A 81 VAL H 1.0 1.8 3.5 1305 992 A 81 VAL HGx% A 81 VAL HA 1.0 1.8 3.5 1306 993 A 81 VAL HGy% A 81 VAL HA 1.0 1.8 3.5 1307 994 A 82 ARG H A 81 VAL HA 1.0 1.8 3.5 1308 995 A 82 ARG H A 81 VAL HB 1.0 1.8 5.0 1309 996 A 82 ARG H A 81 VAL HGx% 1.0 1.8 5.0 1310 997 A 82 ARG H A 81 VAL HGy% 1.0 1.8 5.0 1311 998 A 82 ARG H A 82 ARG HGy 1.0 1.8 5.0 1312 999 A 82 ARG H A 82 ARG HGx 1.0 1.8 5.0 1313 1000 A 82 ARG H A 82 ARG HBx 1.0 1.8 5.0 1314 1000 A 82 ARG H A 82 ARG HBy 1.0 1.8 5.0 1315 1001 A 82 ARG H A 82 ARG HGx 1.0 1.8 5.0 1316 1001 A 82 ARG H A 82 ARG HGy 1.0 1.8 5.0 1317 1002 A 82 ARG HA A 82 ARG HGy 1.0 1.8 5.0 1318 1003 A 82 ARG HA A 82 ARG HGx 1.0 1.8 5.0 1319 1004 A 82 ARG HA A 82 ARG HDx 1.0 1.8 5.0 1320 1004 A 82 ARG HA A 82 ARG HDy 1.0 1.8 5.0 1321 1005 A 82 ARG HA A 82 ARG HGx 1.0 1.8 3.5 1322 1005 A 82 ARG HA A 82 ARG HGy 1.0 1.8 3.5 1323 1006 A 82 ARG HA A 83 ARG H 1.0 1.8 3.5 1324 1007 A 82 ARG HBy A 82 ARG HDy 1.0 1.8 3.5 1325 1007 A 82 ARG HBy A 82 ARG HDx 1.0 1.8 3.5 1326 1008 A 82 ARG HBy A 83 ARG H 1.0 1.8 5.0 1327 1009 A 82 ARG HDy A 82 ARG HBx 1.0 1.8 3.5 1328 1009 A 82 ARG HBx A 82 ARG HDx 1.0 1.8 3.5 1329 1010 A 83 ARG H A 82 ARG HBx 1.0 1.8 5.0 1330 1011 A 82 ARG HBx A 82 ARG HDx 1.0 1.8 3.5 1331 1011 A 82 ARG HDy A 82 ARG HBx 1.0 1.8 3.5 1332 1011 A 82 ARG HBy A 82 ARG HDy 1.0 1.8 3.5 1333 1011 A 82 ARG HBy A 82 ARG HDx 1.0 1.8 3.5 1334 1012 A 82 ARG HBx A 82 ARG HGx 1.0 1.8 2.7 1335 1012 A 82 ARG HBy A 82 ARG HGx 1.0 1.8 2.7 1336 1012 A 82 ARG HGy A 82 ARG HBx 1.0 1.8 2.7 1337 1012 A 82 ARG HBy A 82 ARG HGy 1.0 1.8 2.7 1338 1013 A 83 ARG H A 82 ARG HBx 1.0 1.8 5.0 1339 1013 A 82 ARG HBy A 83 ARG H 1.0 1.8 5.0 1340 1014 A 83 ARG H A 82 ARG HDx 1.0 1.8 5.0 1341 1014 A 82 ARG HDy A 83 ARG H 1.0 1.8 5.0 1342 1015 A 93 LEU HDx% A 82 ARG HDx 1.0 1.8 6.0 1343 1015 A 82 ARG HDy A 93 LEU HDx% 1.0 1.8 6.0 1344 1016 A 82 ARG HDx A 93 LEU HDy% 1.0 1.8 6.0 1345 1016 A 82 ARG HDy A 93 LEU HDy% 1.0 1.8 6.0 1346 1017 A 82 ARG HDx A 93 LEU HDy% 1.0 1.8 5.0 1347 1017 A 82 ARG HDy A 93 LEU HDy% 1.0 1.8 5.0 1348 1017 A 93 LEU HDx% A 82 ARG HDx 1.0 1.8 5.0 1349 1017 A 82 ARG HDy A 93 LEU HDx% 1.0 1.8 5.0 1350 1018 A 83 ARG H A 82 ARG HGx 1.0 1.8 5.0 1351 1018 A 82 ARG HGy A 83 ARG H 1.0 1.8 5.0 1352 1019 A 82 ARG HGy A 93 LEU HDy% 1.0 1.8 3.5 1353 1019 A 93 LEU HDx% A 82 ARG HGx 1.0 1.8 3.5 1354 1019 A 82 ARG HGy A 93 LEU HDx% 1.0 1.8 3.5 1355 1019 A 82 ARG HGx A 93 LEU HDy% 1.0 1.8 3.5 1356 1020 A 83 ARG H A 83 ARG HBx 1.0 1.8 5.0 1357 1020 A 83 ARG HBy A 83 ARG H 1.0 1.8 5.0 1358 1021 A 83 ARG H A 83 ARG HDx 1.0 1.8 5.0 1359 1021 A 83 ARG H A 83 ARG HDy 1.0 1.8 5.0 1360 1022 A 83 ARG H A 83 ARG HGy 1.0 1.8 5.0 1361 1022 A 83 ARG HGx A 83 ARG H 1.0 1.8 5.0 1362 1023 A 83 ARG HA A 83 ARG HGy 1.0 1.8 3.5 1363 1023 A 83 ARG HA A 83 ARG HGx 1.0 1.8 3.5 1364 1024 A 83 ARG HA A 84 PHE H 1.0 1.8 3.5 1365 1025 A 83 ARG HBy A 83 ARG HDx 1.0 1.8 3.5 1366 1025 A 83 ARG HDy A 83 ARG HBx 1.0 1.8 3.5 1367 1025 A 83 ARG HBy A 83 ARG HDy 1.0 1.8 3.5 1368 1025 A 83 ARG HBx A 83 ARG HDx 1.0 1.8 3.5 1369 1026 A 84 PHE H A 83 ARG HBx 1.0 1.8 5.0 1370 1026 A 83 ARG HBy A 84 PHE H 1.0 1.8 5.0 1371 1027 A 84 PHE H A 83 ARG HGy 1.0 1.8 5.0 1372 1027 A 83 ARG HGx A 84 PHE H 1.0 1.8 5.0 1373 1028 A 84 PHE H A 84 PHE HBx 1.0 1.8 5.0 1374 1028 A 84 PHE H A 84 PHE HBy 1.0 1.8 5.0 1375 1029 A 84 PHE HD% A 84 PHE H 1.0 1.8 5.0 1376 1030 A 84 PHE HD% A 84 PHE HA 1.0 1.8 5.0 1377 1031 A 84 PHE HA A 85 GLN H 1.0 1.8 3.5 1378 1032 A 86 THR H A 84 PHE HA 1.0 1.8 5.0 1379 1033 A 84 PHE HA A 89 GLU HBx 1.0 1.8 5.0 1380 1034 A 84 PHE HBy A 85 GLN H 1.0 1.8 5.0 1381 1035 A 84 PHE HBy A 86 THR H 1.0 1.8 5.0 1382 1036 A 84 PHE HBy A 89 GLU HBy 1.0 1.8 5.0 1383 1037 A 84 PHE HBy A 90 LEU HBy 1.0 1.8 5.0 1384 1038 A 84 PHE HBy A 90 LEU HBx 1.0 1.8 6.0 1385 1039 A 85 GLN H A 84 PHE HBx 1.0 1.8 5.0 1386 1040 A 86 THR H A 84 PHE HBx 1.0 1.8 5.0 1387 1041 A 89 GLU HBy A 84 PHE HBx 1.0 1.8 5.0 1388 1042 A 90 LEU HBy A 84 PHE HBx 1.0 1.8 5.0 1389 1043 A 90 LEU HBx A 84 PHE HBx 1.0 1.8 6.0 1390 1044 A 85 GLN H A 84 PHE HBx 1.0 1.8 5.0 1391 1044 A 84 PHE HBy A 85 GLN H 1.0 1.8 5.0 1392 1045 A 86 THR H A 84 PHE HBx 1.0 1.8 5.0 1393 1045 A 84 PHE HBy A 86 THR H 1.0 1.8 5.0 1394 1046 A 89 GLU HBy A 84 PHE HBx 1.0 1.8 5.0 1395 1046 A 84 PHE HBy A 89 GLU HBy 1.0 1.8 5.0 1396 1047 A 89 GLU HBx A 84 PHE HBx 1.0 1.8 5.0 1397 1047 A 84 PHE HBy A 89 GLU HBx 1.0 1.8 5.0 1398 1048 A 90 LEU H A 84 PHE HBx 1.0 1.8 5.0 1399 1048 A 84 PHE HBy A 90 LEU H 1.0 1.8 5.0 1400 1049 A 90 LEU HBy A 84 PHE HBx 1.0 1.8 5.0 1401 1049 A 84 PHE HBy A 90 LEU HBy 1.0 1.8 5.0 1402 1050 A 90 LEU HBx A 84 PHE HBx 1.0 1.8 5.0 1403 1050 A 84 PHE HBy A 90 LEU HBx 1.0 1.8 5.0 1404 1051 A 90 LEU HDx% A 84 PHE HBx 1.0 1.8 5.0 1405 1051 A 84 PHE HBy A 90 LEU HDx% 1.0 1.8 5.0 1406 1052 A 84 PHE HD% A 89 GLU HBx 1.0 1.8 5.0 1407 1053 A 84 PHE HD% A 89 GLU HGx 1.0 1.8 5.0 1408 1053 A 84 PHE HD% A 89 GLU HGy 1.0 1.8 5.0 1409 1054 A 84 PHE HD% A 90 LEU HA 1.0 1.8 5.0 1410 1055 A 84 PHE HD% A 90 LEU HBy 1.0 1.8 5.0 1411 1056 A 84 PHE HD% A 90 LEU HG 1.0 1.8 6.0 1412 1057 A 84 PHE HD% A 90 LEU HDx% 1.0 1.8 5.0 1413 1058 A 90 LEU HDy% A 84 PHE HD% 1.0 1.8 6.0 1414 1059 A 85 GLN H A 85 GLN HBy 1.0 1.8 5.0 1415 1060 A 85 GLN H A 85 GLN HBx 1.0 1.8 5.0 1416 1061 A 85 GLN H A 85 GLN HGy 1.0 1.8 5.0 1417 1062 A 85 GLN H A 85 GLN HGx 1.0 1.8 5.0 1418 1063 A 85 GLN H A 85 GLN HGx 1.0 1.8 5.0 1419 1063 A 85 GLN H A 85 GLN HGy 1.0 1.8 5.0 1420 1064 A 86 THR H A 85 GLN H 1.0 1.8 3.5 1421 1065 A 85 GLN H A 89 GLU HBy 1.0 1.8 5.0 1422 1066 A 86 THR H A 85 GLN HBy 1.0 1.8 5.0 1423 1067 A 86 THR H A 85 GLN HBx 1.0 1.8 5.0 1424 1068 A 85 GLN HBy A 85 GLN HGx 1.0 1.8 2.7 1425 1068 A 85 GLN HBx A 85 GLN HGx 1.0 1.8 2.7 1426 1068 A 85 GLN HGy A 85 GLN HBx 1.0 1.8 2.7 1427 1068 A 85 GLN HGy A 85 GLN HBy 1.0 1.8 2.7 1428 1069 A 86 THR H A 85 GLN HGx 1.0 1.8 5.0 1429 1069 A 86 THR H A 85 GLN HGy 1.0 1.8 5.0 1430 1070 A 86 THR H A 86 THR HG2% 1.0 1.8 5.0 1431 1071 A 86 THR H A 89 GLU HBy 1.0 1.8 5.0 1432 1072 A 86 THR HA A 86 THR HG2% 1.0 1.8 3.5 1433 1073 A 86 THR HA A 87 LEU H 1.0 1.8 3.5 1434 1074 A 86 THR HA A 88 GLY H 1.0 1.8 5.0 1435 1075 A 87 LEU H A 86 THR HB 1.0 1.8 5.0 1436 1076 A 88 GLY H A 86 THR HB 1.0 1.8 5.0 1437 1077 A 86 THR HB A 89 GLU H 1.0 1.8 5.0 1438 1078 A 86 THR HG2% A 87 LEU H 1.0 1.8 5.0 1439 1079 A 86 THR HG2% A 89 GLU H 1.0 1.8 5.0 1440 1080 A 87 LEU H A 87 LEU HG 1.0 1.8 5.0 1441 1081 A 87 LEU H A 87 LEU HBx 1.0 1.8 3.5 1442 1081 A 87 LEU HBy A 87 LEU H 1.0 1.8 3.5 1443 1082 A 87 LEU HDx% A 87 LEU H 1.0 1.8 5.0 1444 1083 A 87 LEU HDy% A 87 LEU H 1.0 1.8 5.0 1445 1084 A 87 LEU H A 88 GLY H 1.0 1.8 5.0 1446 1085 A 87 LEU HG A 87 LEU HA 1.0 1.8 5.0 1447 1086 A 87 LEU HDx% A 87 LEU HA 1.0 1.8 5.0 1448 1087 A 87 LEU HDy% A 87 LEU HA 1.0 1.8 3.5 1449 1088 A 90 LEU H A 87 LEU HA 1.0 1.8 5.0 1450 1089 A 90 LEU HBy A 87 LEU HA 1.0 1.8 5.0 1451 1090 A 90 LEU HBx A 87 LEU HA 1.0 1.8 5.0 1452 1091 A 90 LEU HDx% A 87 LEU HA 1.0 1.8 5.0 1453 1092 A 90 LEU HDy% A 87 LEU HA 1.0 1.8 6.0 1454 1093 A 87 LEU HA A 91 ILE HG1x 1.0 1.8 5.0 1455 1093 A 87 LEU HA A 91 ILE HG1y 1.0 1.8 5.0 1456 1094 A 87 LEU HG A 87 LEU HBx 1.0 1.8 3.5 1457 1094 A 87 LEU HBy A 87 LEU HG 1.0 1.8 3.5 1458 1095 A 87 LEU HDy% A 87 LEU HBx 1.0 1.8 3.5 1459 1095 A 87 LEU HBy A 87 LEU HDy% 1.0 1.8 3.5 1460 1096 A 88 GLY H A 87 LEU HBx 1.0 1.8 5.0 1461 1096 A 87 LEU HBy A 88 GLY H 1.0 1.8 5.0 1462 1097 A 90 LEU HBy A 87 LEU HBx 1.0 1.8 6.0 1463 1097 A 87 LEU HBy A 90 LEU HBy 1.0 1.8 6.0 1464 1098 A 87 LEU HBy A 91 ILE HG1x 1.0 1.8 5.0 1465 1098 A 87 LEU HBx A 91 ILE HG1x 1.0 1.8 5.0 1466 1098 A 91 ILE HG1y A 87 LEU HBx 1.0 1.8 5.0 1467 1098 A 87 LEU HBy A 91 ILE HG1y 1.0 1.8 5.0 1468 1099 A 87 LEU HDy% A 90 LEU HDx% 1.0 1.8 5.0 1469 1100 A 88 GLY H A 89 GLU H 1.0 1.8 5.0 1470 1101 A 88 GLY HAy A 91 ILE H 1.0 1.8 6.0 1471 1102 A 88 GLY HAy A 91 ILE HB 1.0 1.8 5.0 1472 1103 A 88 GLY HAy A 91 ILE HG1x 1.0 1.8 5.0 1473 1103 A 91 ILE HG1y A 88 GLY HAy 1.0 1.8 5.0 1474 1104 A 88 GLY HAy A 91 ILE HG2% 1.0 1.8 5.0 1475 1105 A 91 ILE HB A 88 GLY HAx 1.0 1.8 6.0 1476 1106 A 89 GLU HBy A 89 GLU H 1.0 1.8 3.5 1477 1107 A 89 GLU HBx A 89 GLU H 1.0 1.8 5.0 1478 1108 A 89 GLU H A 89 GLU HGx 1.0 1.8 5.0 1479 1108 A 89 GLU HGy A 89 GLU H 1.0 1.8 5.0 1480 1109 A 90 LEU H A 89 GLU H 1.0 1.8 5.0 1481 1110 A 89 GLU HA A 89 GLU HGx 1.0 1.8 3.5 1482 1110 A 89 GLU HGy A 89 GLU HA 1.0 1.8 3.5 1483 1111 A 89 GLU HA A 92 GLY H 1.0 1.8 5.0 1484 1112 A 89 GLU HA A 93 LEU H 1.0 1.8 6.0 1485 1113 A 89 GLU HBy A 89 GLU HGx 1.0 1.8 3.5 1486 1113 A 89 GLU HBy A 89 GLU HGy 1.0 1.8 3.5 1487 1114 A 89 GLU HBy A 90 LEU H 1.0 1.8 5.0 1488 1115 A 89 GLU HBx A 89 GLU HGx 1.0 1.8 2.7 1489 1115 A 89 GLU HBx A 89 GLU HGy 1.0 1.8 2.7 1490 1116 A 89 GLU HBx A 90 LEU H 1.0 1.8 5.0 1491 1117 A 90 LEU H A 89 GLU HGx 1.0 1.8 6.0 1492 1117 A 90 LEU H A 89 GLU HGy 1.0 1.8 6.0 1493 1118 A 90 LEU HBy A 90 LEU H 1.0 1.8 3.5 1494 1119 A 90 LEU HBx A 90 LEU H 1.0 1.8 3.5 1495 1120 A 90 LEU H A 90 LEU HG 1.0 1.8 5.0 1496 1121 A 90 LEU HDx% A 90 LEU H 1.0 1.8 5.0 1497 1122 A 90 LEU HDy% A 90 LEU H 1.0 1.8 5.0 1498 1123 A 90 LEU H A 91 ILE H 1.0 1.8 5.0 1499 1124 A 90 LEU HA A 90 LEU HG 1.0 1.8 5.0 1500 1125 A 90 LEU HDx% A 90 LEU HA 1.0 1.8 5.0 1501 1126 A 90 LEU HDy% A 90 LEU HA 1.0 1.8 5.0 1502 1127 A 90 LEU HA A 93 LEU H 1.0 1.8 5.0 1503 1128 A 90 LEU HA A 93 LEU HBy 1.0 1.8 5.0 1504 1128 A 90 LEU HA A 93 LEU HBx 1.0 1.8 5.0 1505 1129 A 90 LEU HA A 94 TYR H 1.0 1.8 5.0 1506 1130 A 90 LEU HDx% A 90 LEU HBy 1.0 1.8 3.5 1507 1131 A 90 LEU HDy% A 90 LEU HBy 1.0 1.8 5.0 1508 1132 A 90 LEU HBy A 91 ILE H 1.0 1.8 5.0 1509 1133 A 105 LEU HDx% A 90 LEU HBx 1.0 1.8 6.0 1510 1134 A 90 LEU HDx% A 90 LEU HBx 1.0 1.8 5.0 1511 1135 A 90 LEU HDy% A 90 LEU HBx 1.0 1.8 5.0 1512 1136 A 90 LEU HBx A 91 ILE H 1.0 1.8 5.0 1513 1137 A 90 LEU HG A 94 TYR HD% 1.0 1.8 5.0 1514 1138 A 94 TYR HE% A 90 LEU HG 1.0 1.8 5.0 1515 1139 A 105 LEU HDx% A 90 LEU HDy% 1.0 1.8 5.0 1516 1140 A 90 LEU HDy% A 91 ILE H 1.0 1.8 5.0 1517 1141 A 90 LEU HDy% A 94 TYR HD% 1.0 1.8 5.0 1518 1142 A 90 LEU HDy% A 94 TYR HE% 1.0 1.8 5.0 1519 1143 A 91 ILE H A 91 ILE HB 1.0 1.8 3.5 1520 1144 A 91 ILE HD1% A 91 ILE H 1.0 1.8 5.0 1521 1145 A 91 ILE H A 91 ILE HG1x 1.0 1.8 5.0 1522 1145 A 91 ILE HG1y A 91 ILE H 1.0 1.8 5.0 1523 1146 A 91 ILE H A 91 ILE HG2% 1.0 1.8 5.0 1524 1147 A 91 ILE H A 92 GLY H 1.0 1.8 5.0 1525 1148 A 105 LEU HDx% A 91 ILE HA 1.0 1.8 3.5 1526 1149 A 91 ILE HG1y A 91 ILE HA 1.0 1.8 5.0 1527 1150 A 91 ILE HA A 91 ILE HG1x 1.0 1.8 5.0 1528 1151 A 91 ILE HD1% A 91 ILE HA 1.0 1.8 5.0 1529 1152 A 91 ILE HG2% A 91 ILE HA 1.0 1.8 5.0 1530 1153 A 94 TYR H A 91 ILE HA 1.0 1.8 5.0 1531 1154 A 91 ILE HA A 94 TYR HBy 1.0 1.8 5.0 1532 1155 A 94 TYR HD% A 91 ILE HA 1.0 1.8 5.0 1533 1156 A 91 ILE HA A 95 ALA H 1.0 1.8 6.0 1534 1157 A 105 LEU HDx% A 91 ILE HB 1.0 1.8 6.0 1535 1158 A 91 ILE HD1% A 91 ILE HB 1.0 1.8 5.0 1536 1159 A 91 ILE HB A 92 GLY H 1.0 1.8 5.0 1537 1160 A 105 LEU HDx% A 91 ILE HD1% 1.0 1.8 3.5 1538 1161 A 92 GLY H A 91 ILE HG1x 1.0 1.8 6.0 1539 1161 A 91 ILE HG1y A 92 GLY H 1.0 1.8 6.0 1540 1162 A 105 LEU HA A 91 ILE HG2% 1.0 1.8 6.0 1541 1163 A 91 ILE HG1y A 91 ILE HG2% 1.0 1.8 5.0 1542 1164 A 91 ILE HG2% A 91 ILE HG1x 1.0 1.8 5.0 1543 1165 A 91 ILE HD1% A 91 ILE HG2% 1.0 1.8 2.7 1544 1166 A 91 ILE HG2% A 91 ILE HG1x 1.0 1.8 3.5 1545 1166 A 91 ILE HG1y A 91 ILE HG2% 1.0 1.8 3.5 1546 1167 A 91 ILE HG2% A 92 GLY H 1.0 1.8 5.0 1547 1168 A 91 ILE HG2% A 94 TYR H 1.0 1.8 6.0 1548 1169 A 91 ILE HG2% A 95 ALA H 1.0 1.8 5.0 1549 1170 A 91 ILE HG2% A 95 ALA HA 1.0 1.8 5.0 1550 1171 A 92 GLY H A 93 LEU H 1.0 1.8 3.5 1551 1172 A 93 LEU H A 93 LEU HBy 1.0 1.8 3.5 1552 1173 A 93 LEU H A 93 LEU HBx 1.0 1.8 3.5 1553 1174 A 93 LEU H A 93 LEU HG 1.0 1.8 5.0 1554 1175 A 93 LEU H A 93 LEU HBy 1.0 1.8 3.5 1555 1175 A 93 LEU H A 93 LEU HBx 1.0 1.8 3.5 1556 1176 A 93 LEU HDx% A 93 LEU H 1.0 1.8 5.0 1557 1177 A 93 LEU H A 93 LEU HDy% 1.0 1.8 5.0 1558 1178 A 93 LEU H A 93 LEU HDy% 1.0 1.8 5.0 1559 1178 A 93 LEU HDx% A 93 LEU H 1.0 1.8 5.0 1560 1179 A 93 LEU HG A 93 LEU HA 1.0 1.8 5.0 1561 1180 A 93 LEU HDx% A 93 LEU HA 1.0 1.8 5.0 1562 1181 A 93 LEU HA A 93 LEU HDy% 1.0 1.8 5.0 1563 1182 A 93 LEU HA A 93 LEU HDy% 1.0 1.8 3.5 1564 1182 A 93 LEU HDx% A 93 LEU HA 1.0 1.8 3.5 1565 1183 A 93 LEU HA A 96 GLN H 1.0 1.8 6.0 1566 1184 A 93 LEU HA A 96 GLN HGx 1.0 1.8 6.0 1567 1184 A 93 LEU HA A 96 GLN HGy 1.0 1.8 6.0 1568 1185 A 93 LEU HDx% A 93 LEU HBy 1.0 1.8 5.0 1569 1186 A 93 LEU HBy A 93 LEU HDy% 1.0 1.8 5.0 1570 1187 A 94 TYR H A 93 LEU HBy 1.0 1.8 5.0 1571 1188 A 93 LEU HDx% A 93 LEU HBx 1.0 1.8 5.0 1572 1189 A 93 LEU HBx A 93 LEU HDy% 1.0 1.8 5.0 1573 1190 A 93 LEU HBx A 94 TYR H 1.0 1.8 5.0 1574 1191 A 94 TYR H A 93 LEU HG 1.0 1.8 6.0 1575 1192 A 94 TYR H A 93 LEU HBy 1.0 1.8 5.0 1576 1192 A 93 LEU HBx A 94 TYR H 1.0 1.8 5.0 1577 1193 A 93 LEU HDx% A 94 TYR H 1.0 1.8 6.0 1578 1194 A 94 TYR H A 93 LEU HDy% 1.0 1.8 6.0 1579 1195 A 94 TYR H A 93 LEU HDy% 1.0 1.8 5.0 1580 1195 A 93 LEU HDx% A 94 TYR H 1.0 1.8 5.0 1581 1196 A 95 ALA H A 93 LEU HDy% 1.0 1.8 6.0 1582 1196 A 93 LEU HDx% A 95 ALA H 1.0 1.8 6.0 1583 1197 A 105 LEU HDx% A 94 TYR H 1.0 1.8 6.0 1584 1198 A 94 TYR H A 94 TYR HBy 1.0 1.8 5.0 1585 1199 A 94 TYR HBx A 94 TYR H 1.0 1.8 5.0 1586 1200 A 94 TYR HA A 101 LEU HG 1.0 1.8 6.0 1587 1201 A 101 LEU HDx% A 94 TYR HA 1.0 1.8 5.0 1588 1202 A 94 TYR HA A 105 LEU HG 1.0 1.8 6.0 1589 1203 A 94 TYR HD% A 94 TYR HA 1.0 1.8 5.0 1590 1204 A 96 GLN H A 94 TYR HA 1.0 1.8 5.0 1591 1205 A 101 LEU HDx% A 94 TYR HBy 1.0 1.8 5.0 1592 1206 A 94 TYR HBy A 105 LEU HG 1.0 1.8 5.0 1593 1207 A 105 LEU HDx% A 94 TYR HBy 1.0 1.8 5.0 1594 1208 A 101 LEU HDx% A 94 TYR HBx 1.0 1.8 5.0 1595 1209 A 101 LEU HDy% A 94 TYR HBx 1.0 1.8 6.0 1596 1210 A 94 TYR HBx A 105 LEU H 1.0 1.8 6.0 1597 1211 A 94 TYR HBx A 105 LEU HG 1.0 1.8 5.0 1598 1212 A 105 LEU HDx% A 94 TYR HBx 1.0 1.8 5.0 1599 1213 A 94 TYR HBx A 95 ALA H 1.0 1.8 6.0 1600 1214 A 94 TYR HD% A 101 LEU HG 1.0 1.8 5.0 1601 1215 A 101 LEU HDx% A 94 TYR HD% 1.0 1.8 5.0 1602 1216 A 101 LEU HDy% A 94 TYR HD% 1.0 1.8 5.0 1603 1217 A 105 LEU HDx% A 94 TYR HD% 1.0 1.8 6.0 1604 1218 A 94 TYR HE% A 101 LEU HG 1.0 1.8 5.0 1605 1219 A 101 LEU HDx% A 94 TYR HE% 1.0 1.8 5.0 1606 1220 A 101 LEU HDy% A 94 TYR HE% 1.0 1.8 5.0 1607 1221 A 105 LEU HDx% A 95 ALA H 1.0 1.8 6.0 1608 1222 A 95 ALA H A 95 ALA HB% 1.0 1.8 3.5 1609 1223 A 95 ALA H A 96 GLN H 1.0 1.8 3.5 1610 1224 A 95 ALA HA A 104 ALA HB% 1.0 1.8 5.0 1611 1225 A 95 ALA HA A 105 LEU H 1.0 1.8 3.5 1612 1226 A 95 ALA HA A 105 LEU HBy 1.0 1.8 3.5 1613 1227 A 95 ALA HA A 105 LEU HBx 1.0 1.8 6.0 1614 1228 A 105 LEU HDx% A 95 ALA HA 1.0 1.8 6.0 1615 1229 A 95 ALA HB% A 105 LEU HBy 1.0 1.8 5.0 1616 1230 A 105 LEU HDx% A 95 ALA HB% 1.0 1.8 6.0 1617 1231 A 96 GLN H A 95 ALA HB% 1.0 1.8 5.0 1618 1232 A 96 GLN H A 96 GLN HBy 1.0 1.8 5.0 1619 1233 A 96 GLN H A 96 GLN HBx 1.0 1.8 5.0 1620 1234 A 96 GLN H A 96 GLN HGy 1.0 1.8 5.0 1621 1235 A 96 GLN H A 96 GLN HGx 1.0 1.8 5.0 1622 1236 A 96 GLN H A 96 GLN HBx 1.0 1.8 3.5 1623 1236 A 96 GLN H A 96 GLN HBy 1.0 1.8 3.5 1624 1237 A 96 GLN H A 96 GLN HGx 1.0 1.8 5.0 1625 1237 A 96 GLN H A 96 GLN HGy 1.0 1.8 5.0 1626 1238 A 96 GLN H A 97 PRO HDx 1.0 1.8 5.0 1627 1238 A 96 GLN H A 97 PRO HDy 1.0 1.8 5.0 1628 1239 A 104 ALA HB% A 96 GLN HA 1.0 1.8 5.0 1629 1240 A 96 GLN HGy A 96 GLN HA 1.0 1.8 5.0 1630 1241 A 96 GLN HA A 96 GLN HGx 1.0 1.8 5.0 1631 1242 A 96 GLN HA A 96 GLN HGx 1.0 1.8 3.5 1632 1242 A 96 GLN HGy A 96 GLN HA 1.0 1.8 3.5 1633 1243 A 97 PRO HDy A 96 GLN HA 1.0 1.8 5.0 1634 1244 A 96 GLN HA A 97 PRO HDx 1.0 1.8 5.0 1635 1245 A 96 GLN HA A 97 PRO HDx 1.0 1.8 3.5 1636 1245 A 97 PRO HDy A 96 GLN HA 1.0 1.8 3.5 1637 1246 A 96 GLN HBy A 96 GLN HE2x 1.0 1.8 5.0 1638 1246 A 96 GLN HBx A 96 GLN HE2x 1.0 1.8 5.0 1639 1246 A 96 GLN HE2y A 96 GLN HBx 1.0 1.8 5.0 1640 1246 A 96 GLN HBy A 96 GLN HE2y 1.0 1.8 5.0 1641 1247 A 96 GLN HBy A 97 PRO HDx 1.0 1.8 5.0 1642 1247 A 96 GLN HBx A 97 PRO HDx 1.0 1.8 5.0 1643 1247 A 97 PRO HDy A 96 GLN HBx 1.0 1.8 5.0 1644 1247 A 96 GLN HBy A 97 PRO HDy 1.0 1.8 5.0 1645 1248 A 97 PRO HA A 98 ASN H 1.0 1.8 3.5 1646 1249 A 97 PRO HA A 99 GLN H 1.0 1.8 5.0 1647 1250 A 98 ASN H A 97 PRO HBy 1.0 1.8 6.0 1648 1251 A 98 ASN H A 97 PRO HBx 1.0 1.8 6.0 1649 1252 A 98 ASN H A 97 PRO HBy 1.0 1.8 6.0 1650 1252 A 98 ASN H A 97 PRO HBx 1.0 1.8 6.0 1651 1253 A 104 ALA HA A 97 PRO HDx 1.0 1.8 5.0 1652 1253 A 97 PRO HDy A 104 ALA HA 1.0 1.8 5.0 1653 1254 A 104 ALA HB% A 97 PRO HDx 1.0 1.8 5.0 1654 1254 A 104 ALA HB% A 97 PRO HDy 1.0 1.8 5.0 1655 1255 A 98 ASN H A 99 GLN H 1.0 1.8 5.0 1656 1256 A 98 ASN HBy A 98 ASN HD2x 1.0 1.8 3.5 1657 1256 A 98 ASN HBx A 98 ASN HD2x 1.0 1.8 3.5 1658 1256 A 98 ASN HD2y A 98 ASN HBy 1.0 1.8 3.5 1659 1256 A 98 ASN HBx A 98 ASN HD2y 1.0 1.8 3.5 1660 1257 A 99 GLN H A 99 GLN HBy 1.0 1.8 5.0 1661 1258 A 99 GLN H A 99 GLN HBx 1.0 1.8 5.0 1662 1259 A 99 GLN H A 99 GLN HGy 1.0 1.8 5.0 1663 1260 A 99 GLN H A 99 GLN HGx 1.0 1.8 5.0 1664 1261 A 99 GLN H A 99 GLN HBx 1.0 1.8 3.5 1665 1261 A 99 GLN H A 99 GLN HBy 1.0 1.8 3.5 1666 1262 A 99 GLN HA A 99 GLN HGy 1.0 1.8 5.0 1667 1263 A 99 GLN HA A 99 GLN HGx 1.0 1.8 5.0 1668 1264 A 99 GLN HA A 99 GLN HGx 1.0 1.8 5.0 1669 1264 A 99 GLN HA A 99 GLN HGy 1.0 1.8 5.0 1670 1265 A 100 GLY H A 101 LEU H 1.0 1.8 5.0 1671 1266 A 101 LEU H A 101 LEU HBy 1.0 1.8 5.0 1672 1267 A 101 LEU HG A 101 LEU H 1.0 1.8 5.0 1673 1268 A 101 LEU HDx% A 101 LEU H 1.0 1.8 5.0 1674 1269 A 101 LEU HDy% A 101 LEU H 1.0 1.8 5.0 1675 1270 A 101 LEU HDx% A 101 LEU HA 1.0 1.8 5.0 1676 1271 A 101 LEU HDy% A 101 LEU HA 1.0 1.8 3.5 1677 1272 A 101 LEU HA A 102 VAL H 1.0 1.8 3.5 1678 1273 A 101 LEU HDx% A 101 LEU HBy 1.0 1.8 5.0 1679 1274 A 101 LEU HDy% A 101 LEU HBy 1.0 1.8 5.0 1680 1275 A 101 LEU HBy A 102 VAL H 1.0 1.8 5.0 1681 1276 A 101 LEU HBy A 103 CYS H 1.0 1.8 5.0 1682 1277 A 101 LEU HDx% A 101 LEU HBx 1.0 1.8 3.5 1683 1278 A 101 LEU HDy% A 101 LEU HBx 1.0 1.8 5.0 1684 1279 A 102 VAL H A 101 LEU HBx 1.0 1.8 5.0 1685 1280 A 103 CYS H A 101 LEU HBx 1.0 1.8 3.5 1686 1281 A 101 LEU HG A 102 VAL H 1.0 1.8 6.0 1687 1282 A 101 LEU HDx% A 102 VAL H 1.0 1.8 6.0 1688 1283 A 101 LEU HDx% A 103 CYS H 1.0 1.8 5.0 1689 1284 A 101 LEU HDx% A 104 ALA HA 1.0 1.8 5.0 1690 1285 A 101 LEU HDx% A 105 LEU H 1.0 1.8 5.0 1691 1286 A 101 LEU HDy% A 102 VAL H 1.0 1.8 5.0 1692 1287 A 102 VAL HB A 102 VAL H 1.0 1.8 5.0 1693 1288 A 102 VAL HGx% A 102 VAL H 1.0 1.8 3.5 1694 1289 A 102 VAL HGy% A 102 VAL H 1.0 1.8 3.5 1695 1290 A 102 VAL H A 103 CYS H 1.0 1.8 5.0 1696 1291 A 102 VAL HGx% A 102 VAL HA 1.0 1.8 3.5 1697 1292 A 102 VAL HGy% A 102 VAL HA 1.0 1.8 3.5 1698 1293 A 102 VAL HB A 103 CYS H 1.0 1.8 5.0 1699 1294 A 102 VAL HGx% A 103 CYS H 1.0 1.8 5.0 1700 1295 A 102 VAL HGy% A 103 CYS H 1.0 1.8 5.0 1701 1296 A 103 CYS HA A 104 ALA H 1.0 1.8 3.5 1702 1297 A 103 CYS HBy A 104 ALA H 1.0 1.8 5.0 1703 1298 A 104 ALA H A 103 CYS HBx 1.0 1.8 5.0 1704 1299 A 104 ALA H A 103 CYS HBx 1.0 1.8 5.0 1705 1299 A 103 CYS HBy A 104 ALA H 1.0 1.8 5.0 1706 1300 A 104 ALA HB% A 104 ALA H 1.0 1.8 3.5 1707 1301 A 105 LEU H A 104 ALA HA 1.0 1.8 3.5 1708 1302 A 105 LEU H A 104 ALA HB% 1.0 1.8 3.5 1709 1303 A 105 LEU H A 105 LEU HBy 1.0 1.8 5.0 1710 1304 A 105 LEU HG A 105 LEU H 1.0 1.8 3.5 1711 1305 A 105 LEU HDx% A 105 LEU H 1.0 1.8 5.0 1712 1306 A 105 LEU HDy% A 105 LEU H 1.0 1.8 5.0 1713 1307 A 105 LEU HA A 105 LEU HG 1.0 1.8 5.0 1714 1308 A 105 LEU HA A 105 LEU HDx% 1.0 1.8 5.0 1715 1309 A 105 LEU HDy% A 105 LEU HA 1.0 1.8 3.5 1716 1310 A 106 LEU H A 105 LEU HA 1.0 1.8 3.5 1717 1311 A 105 LEU HA A 107 LEU H 1.0 1.8 5.0 1718 1312 A 105 LEU HDx% A 105 LEU HBy 1.0 1.8 5.0 1719 1313 A 105 LEU HDy% A 105 LEU HBy 1.0 1.8 5.0 1720 1314 A 105 LEU HDx% A 105 LEU HBx 1.0 1.8 5.0 1721 1315 A 105 LEU HDy% A 105 LEU HBx 1.0 1.8 5.0 1722 1316 A 106 LEU H A 105 LEU HDy% 1.0 1.8 5.0 1723 1317 A 106 LEU H A 106 LEU HG 1.0 1.8 5.0 1724 1318 A 106 LEU H A 106 LEU HBx 1.0 1.8 3.5 1725 1318 A 106 LEU H A 106 LEU HBy 1.0 1.8 3.5 1726 1319 A 106 LEU H A 106 LEU HDx% 1.0 1.8 5.0 1727 1320 A 106 LEU H A 106 LEU HDy% 1.0 1.8 5.0 1728 1321 A 106 LEU H A 106 LEU HDy% 1.0 1.8 5.0 1729 1321 A 106 LEU H A 106 LEU HDx% 1.0 1.8 5.0 1730 1322 A 106 LEU H A 107 LEU H 1.0 1.8 3.5 1731 1323 A 106 LEU HG A 106 LEU HA 1.0 1.8 5.0 1732 1324 A 106 LEU HDx% A 106 LEU HA 1.0 1.8 5.0 1733 1325 A 106 LEU HA A 106 LEU HDy% 1.0 1.8 5.0 1734 1326 A 106 LEU HA A 106 LEU HDy% 1.0 1.8 3.5 1735 1326 A 106 LEU HDx% A 106 LEU HA 1.0 1.8 3.5 1736 1327 A 107 LEU H A 106 LEU HG 1.0 1.8 5.0 1737 1328 A 106 LEU HDx% A 106 LEU HBx 1.0 1.8 3.5 1738 1328 A 106 LEU HBy A 106 LEU HDx% 1.0 1.8 3.5 1739 1329 A 106 LEU HBx A 106 LEU HDy% 1.0 1.8 3.5 1740 1329 A 106 LEU HBy A 106 LEU HDy% 1.0 1.8 3.5 1741 1330 A 107 LEU H A 106 LEU HBx 1.0 1.8 5.0 1742 1330 A 106 LEU HBy A 107 LEU H 1.0 1.8 5.0 1743 1331 A 107 LEU H A 106 LEU HDx% 1.0 1.8 6.0 1744 1332 A 107 LEU H A 106 LEU HDy% 1.0 1.8 6.0 1745 1333 A 107 LEU H A 106 LEU HDy% 1.0 1.8 5.0 1746 1333 A 107 LEU H A 106 LEU HDx% 1.0 1.8 5.0 1747 1334 A 107 LEU H A 107 LEU HG 1.0 1.8 5.0 1748 1335 A 107 LEU H A 107 LEU HBx 1.0 1.8 5.0 1749 1335 A 107 LEU HBy A 107 LEU H 1.0 1.8 5.0 1750 1336 A 107 LEU H A 107 LEU HDy% 1.0 1.8 5.0 1751 1336 A 107 LEU H A 107 LEU HDx% 1.0 1.8 5.0 1752 1337 A 107 LEU HG A 107 LEU HA 1.0 1.8 5.0 1753 1338 A 107 LEU HDx% A 107 LEU HA 1.0 1.8 5.0 1754 1339 A 107 LEU HA A 107 LEU HDy% 1.0 1.8 5.0 1755 1340 A 107 LEU HA A 107 LEU HDy% 1.0 1.8 3.5 1756 1340 A 107 LEU HDx% A 107 LEU HA 1.0 1.8 3.5 1757 1341 A 107 LEU HA A 108 PRO HDy 1.0 1.8 3.5 1758 1342 A 107 LEU HA A 108 PRO HDx 1.0 1.8 3.5 1759 1343 A 107 LEU HA A 108 PRO HGy 1.0 1.8 5.0 1760 1344 A 108 PRO HGx A 107 LEU HA 1.0 1.8 5.0 1761 1345 A 107 LEU HA A 108 PRO HGy 1.0 1.8 5.0 1762 1345 A 108 PRO HGx A 107 LEU HA 1.0 1.8 5.0 1763 1346 A 107 LEU HBy A 108 PRO HDy 1.0 1.8 5.0 1764 1346 A 108 PRO HDy A 107 LEU HBx 1.0 1.8 5.0 1765 1347 A 107 LEU HBy A 108 PRO HDx 1.0 1.8 5.0 1766 1347 A 107 LEU HBx A 108 PRO HDx 1.0 1.8 5.0 1767 1348 A 107 LEU HBy A 108 PRO HDx 1.0 1.8 5.0 1768 1348 A 107 LEU HBx A 108 PRO HDx 1.0 1.8 5.0 1769 1348 A 108 PRO HDy A 107 LEU HBx 1.0 1.8 5.0 1770 1348 A 107 LEU HBy A 108 PRO HDy 1.0 1.8 5.0 1771 1349 A 107 LEU HDx% A 108 PRO HDx 1.0 1.8 5.0 1772 1349 A 108 PRO HDy A 107 LEU HDy% 1.0 1.8 5.0 1773 1349 A 107 LEU HDx% A 108 PRO HDy 1.0 1.8 5.0 1774 1349 A 107 LEU HDy% A 108 PRO HDx 1.0 1.8 5.0 1775 1350 A 108 PRO HA A 109 VAL H 1.0 1.8 3.5 1776 1351 A 108 PRO HA A 109 VAL HGy% 1.0 1.8 5.0 1777 1352 A 109 VAL H A 108 PRO HBx 1.0 1.8 5.0 1778 1352 A 108 PRO HBy A 109 VAL H 1.0 1.8 5.0 1779 1353 A 109 VAL HB A 109 VAL H 1.0 1.8 5.0 1780 1354 A 109 VAL HGx% A 109 VAL H 1.0 1.8 5.0 1781 1355 A 109 VAL HGy% A 109 VAL H 1.0 1.8 5.0 1782 1356 A 109 VAL HGx% A 109 VAL HA 1.0 1.8 3.5 1783 1357 A 109 VAL HGy% A 109 VAL HA 1.0 1.8 3.5 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 24 GLU H A 20 ARG O 1.0 1.7 2.3 2 2 A 20 ARG O A 24 GLU N 1.0 2.7 3.3 3 3 A 25 GLU H A 21 ALA O 1.0 1.7 2.3 4 4 A 21 ALA O A 25 GLU N 1.0 2.7 3.3 5 5 A 26 LEU H A 22 ALA O 1.0 1.7 2.3 6 6 A 22 ALA O A 26 LEU N 1.0 2.7 3.3 7 7 A 27 LEU H A 23 ALA O 1.0 1.7 2.3 8 8 A 23 ALA O A 27 LEU N 1.0 2.7 3.3 9 9 A 28 ALA H A 24 GLU O 1.0 1.7 2.3 10 10 A 24 GLU O A 28 ALA N 1.0 2.7 3.3 11 11 A 29 ARG H A 25 GLU O 1.0 1.7 2.3 12 12 A 25 GLU O A 29 ARG N 1.0 2.7 3.3 13 13 A 34 GLY H A 53 LEU O 1.0 1.7 2.3 14 14 A 53 LEU O A 34 GLY N 1.0 2.7 3.3 15 15 A 37 LEU H A 51 CYS O 1.0 1.7 2.3 16 16 A 51 CYS O A 37 LEU N 1.0 2.7 3.3 17 17 A 48 PHE H A 63 ILE O 1.0 1.7 2.3 18 18 A 63 ILE O A 48 PHE N 1.0 2.7 3.3 19 19 A 50 LEU H A 61 TYR O 1.0 1.7 2.3 20 20 A 61 TYR O A 50 LEU N 1.0 2.7 3.3 21 21 A 51 CYS H A 37 LEU O 1.0 1.7 2.3 22 22 A 37 LEU O A 51 CYS N 1.0 2.7 3.3 23 23 A 52 VAL H A 59 HIS O 1.0 1.7 2.3 24 24 A 59 HIS O A 52 VAL N 1.0 2.7 3.3 25 25 A 53 LEU H A 35 SER O 1.0 1.7 2.3 26 26 A 35 SER O A 53 LEU N 1.0 2.7 3.3 27 27 A 54 TYR H A 57 HIS O 1.0 1.7 2.3 28 28 A 57 HIS O A 54 TYR N 1.0 2.7 3.3 29 29 A 57 HIS H A 54 TYR O 1.0 1.7 2.3 30 30 A 54 TYR O A 57 HIS N 1.0 2.7 3.3 31 31 A 59 HIS H A 52 VAL O 1.0 1.7 2.3 32 32 A 52 VAL O A 59 HIS N 1.0 2.7 3.3 33 33 A 61 TYR H A 50 LEU O 1.0 1.7 2.3 34 34 A 50 LEU O A 61 TYR N 1.0 2.7 3.3 35 35 A 63 ILE H A 48 PHE O 1.0 1.7 2.3 36 36 A 48 PHE O A 63 ILE N 1.0 2.7 3.3 37 37 A 91 ILE H A 87 LEU O 1.0 1.7 2.3 38 38 A 87 LEU O A 91 ILE N 1.0 2.7 3.3 39 39 A 92 GLY H A 88 GLY O 1.0 1.7 2.3 40 40 A 88 GLY O A 92 GLY N 1.0 2.7 3.3 41 41 A 93 LEU H A 89 GLU O 1.0 1.7 2.3 42 42 A 89 GLU O A 93 LEU N 1.0 2.7 3.3 43 43 A 94 TYR H A 90 LEU O 1.0 1.7 2.3 44 44 A 90 LEU O A 94 TYR N 1.0 2.7 3.3 45 45 A 95 ALA H A 91 ILE O 1.0 1.7 2.3 46 46 A 91 ILE O A 95 ALA N 1.0 2.7 3.3 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 13 TRP C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -117.0 -68.0 PHI 2 2 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 HIS N 1.0 97.0 143.0 PSI 3 3 A 14 TYR C A 15 HIS N A 15 HIS CA A 15 HIS C 1.0 -143.2 -50.4 PHI 4 4 A 15 HIS N A 15 HIS CA A 15 HIS C A 16 ARG N 1.0 82.4 170.8 PSI 5 5 A 19 SER C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -78.0 -38.0 PHI 6 6 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -62.4 -22.4 PSI 7 7 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.0 -42.0 PHI 8 8 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ALA N 1.0 -61.0 -21.0 PSI 9 9 A 21 ALA C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -88.5 -48.5 PHI 10 10 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ALA N 1.0 -58.7 -18.7 PSI 11 11 A 22 ALA C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -83.6 -43.6 PHI 12 12 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 GLU N 1.0 -62.3 -22.3 PSI 13 13 A 23 ALA C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -84.1 -44.1 PHI 14 14 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 GLU N 1.0 -60.3 -20.3 PSI 15 15 A 24 GLU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -85.7 -45.7 PHI 16 16 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LEU N 1.0 -61.8 -21.8 PSI 17 17 A 25 GLU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -85.7 -45.7 PHI 18 18 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LEU N 1.0 -63.5 -23.5 PSI 19 19 A 26 LEU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -86.0 -46.0 PHI 20 20 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ALA N 1.0 -62.6 -22.6 PSI 21 21 A 27 LEU C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -84.6 -44.6 PHI 22 22 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 ARG N 1.0 -60.3 -20.3 PSI 23 23 A 28 ALA C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -86.7 -46.7 PHI 24 24 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ALA N 1.0 -58.2 -18.2 PSI 25 25 A 29 ARG C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -87.2 -47.2 PHI 26 26 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 GLY N 1.0 -59.3 -9.3 PSI 27 27 A 34 GLY C A 35 SER N A 35 SER CA A 35 SER C 1.0 -89.7 -49.7 PHI 28 28 A 35 SER N A 35 SER CA A 35 SER C A 36 PHE N 1.0 117.3 160.9 PSI 29 29 A 35 SER C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -167.3 -127.3 PHI 30 30 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 LEU N 1.0 142.7 182.7 PSI 31 31 A 36 PHE C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -168.4 -128.4 PHI 32 32 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 VAL N 1.0 130.7 180.5 PSI 33 33 A 37 LEU C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -135.1 -95.1 PHI 34 34 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 ARG N 1.0 114.0 154.0 PSI 35 35 A 38 VAL C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -157.9 -117.9 PHI 36 36 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 ASP N 1.0 130.6 185.0 PSI 37 37 A 39 ARG C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -91.1 -51.1 PHI 38 38 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 SER N 1.0 121.0 161.2 PSI 39 39 A 40 ASP C A 41 SER N A 41 SER CA A 41 SER C 1.0 -88.1 -48.1 PHI 40 40 A 41 SER N A 41 SER CA A 41 SER C A 42 GLU N 1.0 103.2 165.0 PSI 41 41 A 46 GLY C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -146.8 -93.0 PHI 42 42 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 PHE N 1.0 125.1 174.1 PSI 43 43 A 47 ALA C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -151.9 -106.9 PHI 44 44 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ALA N 1.0 123.0 176.6 PSI 45 45 A 48 PHE C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -138.9 -93.5 PHI 46 46 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 LEU N 1.0 106.3 146.3 PSI 47 47 A 49 ALA C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -128.0 -88.0 PHI 48 48 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 CYS N 1.0 104.2 144.2 PSI 49 49 A 50 LEU C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -138.0 -88.0 PHI 50 50 A 51 CYS N A 51 CYS CA A 51 CYS C A 52 VAL N 1.0 109.9 149.9 PSI 51 51 A 51 CYS C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -141.8 -101.8 PHI 52 52 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 LEU N 1.0 115.0 155.6 PSI 53 53 A 52 VAL C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -129.4 -86.6 PHI 54 54 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 TYR N 1.0 103.4 143.4 PSI 55 55 A 53 LEU C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -163.3 -115.5 PHI 56 56 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 GLN N 1.0 103.2 143.2 PSI 57 57 A 56 LYS C A 57 HIS N A 57 HIS CA A 57 HIS C 1.0 -138.8 -97.6 PHI 58 58 A 57 HIS N A 57 HIS CA A 57 HIS C A 58 VAL N 1.0 107.4 157.4 PSI 59 59 A 57 HIS C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -109.1 -61.5 PHI 60 60 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 HIS N 1.0 107.6 147.6 PSI 61 61 A 58 VAL C A 59 HIS N A 59 HIS CA A 59 HIS C 1.0 -132.4 -85.2 PHI 62 62 A 59 HIS N A 59 HIS CA A 59 HIS C A 60 THR N 1.0 111.5 155.3 PSI 63 63 A 59 HIS C A 60 THR N A 60 THR CA A 60 THR C 1.0 -128.9 -85.1 PHI 64 64 A 60 THR N A 60 THR CA A 60 THR C A 61 TYR N 1.0 105.7 145.7 PSI 65 65 A 60 THR C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -136.0 -96.0 PHI 66 66 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 ARG N 1.0 103.0 155.4 PSI 67 67 A 61 TYR C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -103.1 -61.1 PHI 68 68 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 ILE N 1.0 97.4 157.4 PSI 69 69 A 62 ARG C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -144.1 -73.5 PHI 70 70 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 LEU N 1.0 105.3 145.3 PSI 71 71 A 63 ILE C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -139.5 -96.1 PHI 72 72 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 PRO N 1.0 87.9 162.1 PSI 73 73 A 69 ASP C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -128.1 -80.1 PHI 74 74 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 LEU N 1.0 119.2 159.2 PSI 75 75 A 70 PHE C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -147.3 -99.9 PHI 76 76 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 ALA N 1.0 113.5 175.9 PSI 77 77 A 71 LEU C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -149.9 -99.9 PHI 78 78 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 VAL N 1.0 109.2 149.2 PSI 79 79 A 72 ALA C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -136.8 -86.8 PHI 80 80 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 GLN N 1.0 103.2 143.2 PSI 81 81 A 73 VAL C A 74 GLN N A 74 GLN CA A 74 GLN C 1.0 -110.1 -68.5 PHI 82 82 A 74 GLN N A 74 GLN CA A 74 GLN C A 75 THR N 1.0 91.9 160.9 PSI 83 83 A 80 PRO C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -101.5 -41.5 PHI 84 84 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 ARG N 1.0 101.5 173.1 PSI 85 85 A 81 VAL C A 82 ARG N A 82 ARG CA A 82 ARG C 1.0 -149.6 -65.8 PHI 86 86 A 82 ARG N A 82 ARG CA A 82 ARG C A 83 ARG N 1.0 120.4 160.4 PSI 87 87 A 82 ARG C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -142.7 -84.9 PHI 88 88 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 PHE N 1.0 121.7 161.7 PSI 89 89 A 83 ARG C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -149.8 -109.8 PHI 90 90 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 GLN N 1.0 130.3 170.3 PSI 91 91 A 86 THR C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -85.3 -45.3 PHI 92 92 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 GLY N 1.0 -55.9 -15.9 PSI 93 93 A 87 LEU C A 88 GLY N A 88 GLY CA A 88 GLY C 1.0 -81.9 -41.9 PHI 94 94 A 88 GLY N A 88 GLY CA A 88 GLY C A 89 GLU N 1.0 -59.3 -19.3 PSI 95 95 A 88 GLY C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -86.4 -46.4 PHI 96 96 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 LEU N 1.0 -58.0 -18.0 PSI 97 97 A 89 GLU C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -84.3 -44.3 PHI 98 98 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 ILE N 1.0 -65.1 -25.1 PSI 99 99 A 90 LEU C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -85.2 -45.2 PHI 100 100 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 GLY N 1.0 -56.9 -16.9 PSI 101 101 A 91 ILE C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 -84.9 -44.9 PHI 102 102 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 LEU N 1.0 -60.1 -20.1 PSI 103 103 A 92 GLY C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -86.1 -46.1 PHI 104 104 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 TYR N 1.0 -60.1 -20.1 PSI 105 105 A 93 LEU C A 94 TYR N A 94 TYR CA A 94 TYR C 1.0 -91.0 -51.0 PHI 106 106 A 94 TYR N A 94 TYR CA A 94 TYR C A 95 ALA N 1.0 -46.0 7.8 PSI 107 107 A 94 TYR C A 95 ALA N A 95 ALA CA A 95 ALA C 1.0 -99.9 -59.9 PHI 108 108 A 95 ALA N A 95 ALA CA A 95 ALA C A 96 GLN N 1.0 -34.7 7.5 PSI stop_ save_