data_nef_c16576_2kq1 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 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 PRO middle . false 3 A 3 THR middle . . 4 A 4 PHE middle . . 5 A 5 ASP middle . . 6 A 6 HIS middle . . 7 A 7 GLY middle . false 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 SER middle . . 11 A 11 LEU middle . . 12 A 12 GLY middle . false 13 A 13 GLU middle . . 14 A 14 LEU middle . . 15 A 15 GLU middle . . 16 A 16 LEU middle . . 17 A 17 THR middle . . 18 A 18 VAL middle . . 19 A 19 LEU middle . . 20 A 20 TYR middle . . 21 A 21 ASP middle . . 22 A 22 GLU middle . . 23 A 23 GLU middle . . 24 A 24 ARG middle . . 25 A 25 TYR middle . . 26 A 26 ASP middle . . 27 A 27 ILE middle . . 28 A 28 VAL middle . . 29 A 29 GLU middle . . 30 A 30 GLN middle . . 31 A 31 THR middle . . 32 A 32 GLU middle . . 33 A 33 THR middle . . 34 A 34 VAL middle . . 35 A 35 GLN middle . . 36 A 36 VAL middle . . 37 A 37 ASP middle . . 38 A 38 LEU middle . . 39 A 39 GLU middle . . 40 A 40 GLY middle . false 41 A 41 PRO middle . false 42 A 42 ARG middle . . 43 A 43 GLY middle . false 44 A 44 VAL middle . . 45 A 45 LEU middle . . 46 A 46 THR middle . . 47 A 47 VAL middle . . 48 A 48 PHE middle . . 49 A 49 ARG middle . . 50 A 50 PHE middle . . 51 A 51 ALA middle . . 52 A 52 ARG middle . . 53 A 53 PRO middle . false 54 A 54 SER middle . . 55 A 55 TYR middle . . 56 A 56 GLU middle . . 57 A 57 VAL middle . . 58 A 58 PHE middle . . 59 A 59 VAL middle . . 60 A 60 ASP middle . . 61 A 61 LEU middle . . 62 A 62 THR middle . . 63 A 63 GLU middle . . 64 A 64 ALA middle . . 65 A 65 GLY middle . false 66 A 66 GLU middle . . 67 A 67 GLY middle . false 68 A 68 SER middle . . 69 A 69 HIS middle . . 70 A 70 THR middle . . 71 A 71 VAL middle . . 72 A 72 ASP middle . . 73 A 73 VAL middle . . 74 A 74 GLU middle . . 75 A 75 HIS middle . . 76 A 76 ARG middle . . 77 A 77 GLY middle . false 78 A 78 PHE middle . . 79 A 79 PRO middle . false 80 A 80 GLY middle . false 81 A 81 ASP middle . . 82 A 82 LEU middle . . 83 A 83 ALA middle . . 84 A 84 VAL middle . . 85 A 85 THR middle . . 86 A 86 VAL middle . . 87 A 87 GLU middle . . 88 A 88 PRO middle . false 89 A 89 ARG middle . . 90 A 90 MET middle . . 91 A 91 ALA middle . . 92 A 92 ARG middle . . 93 A 93 VAL middle . . 94 A 94 GLN middle . . 95 A 95 LEU middle . . 96 A 96 GLU middle . . 97 A 97 GLU middle . . 98 A 98 ARG middle . . 99 A 99 GLN middle . . 100 A 100 THR middle . . 101 A 101 VAL middle . . 102 A 102 SER middle . . 103 A 103 VAL middle . . 104 A 104 PRO middle . false 105 A 105 VAL middle . . 106 A 106 THR middle . . 107 A 107 VAL middle . . 108 A 108 GLU middle . . 109 A 109 MET middle . . 110 A 110 ILE middle . . 111 A 111 ASN middle . . 112 A 112 LEU middle . . 113 A 113 GLU middle . . 114 A 114 HIS middle . . 115 A 115 HIS middle . . 116 A 116 HIS middle . . 117 A 117 HIS middle . . 118 A 118 HIS middle . . 119 A 119 HIS 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 3 THR HA H 1 4.25 . A 3 THR HB H 1 4.01 . A 3 THR HG2% H 1 1.09 . A 3 THR CA C 13 62.0 . A 3 THR CB C 13 69.7 . A 3 THR CG2 C 13 21.5 . A 4 PHE H H 1 8.44 . A 4 PHE HA H 1 4.65 . A 4 PHE HBx H 1 2.98 . A 4 PHE HBy H 1 3.12 . A 4 PHE HDx H 1 7.24 . A 4 PHE HDy H 1 7.24 . A 4 PHE HEx H 1 7.27 . A 4 PHE HEy H 1 7.27 . A 4 PHE CA C 13 57.7 . A 4 PHE CB C 13 39.4 . A 4 PHE CD1 C 13 131.8 . A 4 PHE CE1 C 13 129.7 . A 4 PHE N N 15 122.4 . A 5 ASP H H 1 8.50 . A 5 ASP HA H 1 4.60 . A 5 ASP HBx H 1 2.54 . A 5 ASP HBy H 1 2.71 . A 5 ASP CA C 13 53.9 . A 5 ASP CB C 13 40.7 . A 5 ASP N N 15 121.8 . A 6 HIS H H 1 8.24 . A 6 HIS HA H 1 4.78 . A 6 HIS HBx H 1 3.05 . A 6 HIS HBy H 1 3.05 . A 6 HIS HD2 H 1 7.01 . A 6 HIS CA C 13 55.3 . A 6 HIS CB C 13 31.5 . A 6 HIS CD2 C 13 119.4 . A 6 HIS N N 15 120.4 . A 7 GLY H H 1 8.66 . A 7 GLY HAy H 1 4.50 . A 7 GLY HAx H 1 3.58 . A 7 GLY CA C 13 44.2 . A 7 GLY N N 15 109.2 . A 8 ASN H H 1 8.04 . A 8 ASN HA H 1 5.50 . A 8 ASN HBx H 1 2.49 . A 8 ASN HBy H 1 2.64 . A 8 ASN HD2y H 1 7.74 . A 8 ASN HD2x H 1 7.01 . A 8 ASN CA C 13 52.6 . A 8 ASN CB C 13 42.7 . A 8 ASN N N 15 115.1 . A 8 ASN ND2 N 15 113.9 . A 9 LEU H H 1 8.85 . A 9 LEU HA H 1 4.53 . A 9 LEU HBx H 1 1.37 . A 9 LEU HBy H 1 1.54 . A 9 LEU HDx% H 1 0.95 . A 9 LEU HDy% H 1 0.87 . A 9 LEU HG H 1 1.36 . A 9 LEU CA C 13 54.7 . A 9 LEU CB C 13 47.0 . A 9 LEU CD1 C 13 23.5 . A 9 LEU CD2 C 13 26.2 . A 9 LEU CG C 13 27.2 . A 9 LEU N N 15 123.5 . A 10 SER H H 1 8.85 . A 10 SER HA H 1 5.03 . A 10 SER HBx H 1 3.79 . A 10 SER HBy H 1 3.82 . A 10 SER CA C 13 57.0 . A 10 SER CB C 13 63.9 . A 10 SER N N 15 121.8 . A 11 LEU H H 1 8.82 . A 11 LEU HA H 1 4.46 . A 11 LEU HBx H 1 1.67 . A 11 LEU HBy H 1 1.67 . A 11 LEU HDx% H 1 0.80 . A 11 LEU HDy% H 1 0.88 . A 11 LEU HG H 1 1.46 . A 11 LEU CA C 13 54.4 . A 11 LEU CB C 13 41.9 . A 11 LEU CD1 C 13 25.8 . A 11 LEU CD2 C 13 22.9 . A 11 LEU CG C 13 27.2 . A 11 LEU N N 15 127.3 . A 12 GLY H H 1 8.14 . A 12 GLY HAx H 1 3.72 . A 12 GLY HAy H 1 4.08 . A 12 GLY CA C 13 44.7 . A 12 GLY N N 15 108.0 . A 13 GLU H H 1 8.21 . A 13 GLU HA H 1 4.56 . A 13 GLU HBy H 1 1.90 . A 13 GLU HBx H 1 1.72 . A 13 GLU HGy H 1 2.28 . A 13 GLU HGx H 1 2.08 . A 13 GLU CA C 13 55.7 . A 13 GLU CB C 13 30.3 . A 13 GLU CG C 13 36.3 . A 13 GLU N N 15 119.0 . A 14 LEU H H 1 9.36 . A 14 LEU HA H 1 4.72 . A 14 LEU HBy H 1 1.72 . A 14 LEU HBx H 1 1.61 . A 14 LEU HDx% H 1 1.08 . A 14 LEU HDy% H 1 1.10 . A 14 LEU HG H 1 1.85 . A 14 LEU CA C 13 53.4 . A 14 LEU CB C 13 44.2 . A 14 LEU CD1 C 13 25.5 . A 14 LEU CD2 C 13 23.9 . A 14 LEU CG C 13 27.6 . A 14 LEU N N 15 126.7 . A 15 GLU H H 1 8.68 . A 15 GLU HA H 1 4.24 . A 15 GLU HBx H 1 2.01 . A 15 GLU HBy H 1 2.01 . A 15 GLU HGy H 1 2.39 . A 15 GLU HGx H 1 2.25 . A 15 GLU CA C 13 56.9 . A 15 GLU CB C 13 29.9 . A 15 GLU CG C 13 36.5 . A 15 GLU N N 15 120.6 . A 16 LEU H H 1 7.74 . A 16 LEU HA H 1 4.36 . A 16 LEU HBy H 1 1.67 . A 16 LEU HBx H 1 1.00 . A 16 LEU HDx% H 1 0.74 . A 16 LEU HDy% H 1 0.62 . A 16 LEU HG H 1 1.01 . A 16 LEU CA C 13 54.0 . A 16 LEU CB C 13 43.3 . A 16 LEU CD1 C 13 24.1 . A 16 LEU CD2 C 13 26.0 . A 16 LEU CG C 13 26.3 . A 16 LEU N N 15 125.2 . A 17 THR H H 1 8.50 . A 17 THR HA H 1 4.42 . A 17 THR HB H 1 4.29 . A 17 THR HG2% H 1 1.18 . A 17 THR CA C 13 63.1 . A 17 THR CB C 13 69.6 . A 17 THR CG2 C 13 22.0 . A 17 THR N N 15 127.3 . A 18 VAL H H 1 8.84 . A 18 VAL HA H 1 4.49 . A 18 VAL HB H 1 1.99 . A 18 VAL HGx% H 1 0.67 . A 18 VAL HGy% H 1 0.69 . A 18 VAL CA C 13 61.1 . A 18 VAL CB C 13 33.3 . A 18 VAL CG1 C 13 22.0 . A 18 VAL CG2 C 13 21.0 . A 18 VAL N N 15 127.0 . A 19 LEU H H 1 8.83 . A 19 LEU HA H 1 4.92 . A 19 LEU HBx H 1 1.53 . A 19 LEU HBy H 1 1.63 . A 19 LEU HDx% H 1 0.59 . A 19 LEU HDy% H 1 0.66 . A 19 LEU HG H 1 1.54 . A 19 LEU CA C 13 53.4 . A 19 LEU CB C 13 41.2 . A 19 LEU CD1 C 13 26.0 . A 19 LEU CD2 C 13 22.4 . A 19 LEU CG C 13 26.8 . A 19 LEU N N 15 128.5 . A 20 TYR H H 1 8.47 . A 20 TYR HA H 1 4.28 . A 20 TYR HBx H 1 1.17 . A 20 TYR HBy H 1 1.41 . A 20 TYR HDx H 1 6.87 . A 20 TYR HDy H 1 6.87 . A 20 TYR HEx H 1 6.95 . A 20 TYR HEy H 1 6.95 . A 20 TYR CA C 13 55.6 . A 20 TYR CB C 13 38.2 . A 20 TYR CD1 C 13 133.4 . A 20 TYR CE1 C 13 118.2 . A 20 TYR N N 15 120.3 . A 21 ASP H H 1 8.92 . A 21 ASP HA H 1 4.64 . A 21 ASP HBy H 1 3.23 . A 21 ASP HBx H 1 2.77 . A 21 ASP CA C 13 53.0 . A 21 ASP CB C 13 39.3 . A 21 ASP N N 15 118.6 . A 22 GLU H H 1 7.93 . A 22 GLU HA H 1 4.25 . A 22 GLU HBy H 1 1.79 . A 22 GLU HBx H 1 1.76 . A 22 GLU HGx H 1 1.86 . A 22 GLU HGy H 1 1.95 . A 22 GLU CA C 13 57.0 . A 22 GLU CB C 13 29.0 . A 22 GLU CG C 13 35.1 . A 22 GLU N N 15 126.6 . A 23 GLU H H 1 8.06 . A 23 GLU HA H 1 4.13 . A 23 GLU HBx H 1 2.06 . A 23 GLU HBy H 1 2.10 . A 23 GLU HGy H 1 2.29 . A 23 GLU HGx H 1 2.17 . A 23 GLU CA C 13 57.8 . A 23 GLU CB C 13 29.5 . A 23 GLU CG C 13 36.5 . A 23 GLU N N 15 117.8 . A 24 ARG H H 1 7.07 . A 24 ARG HA H 1 4.17 . A 24 ARG HBx H 1 1.07 . A 24 ARG HBy H 1 1.21 . A 24 ARG HDx H 1 3.02 . A 24 ARG HDy H 1 3.02 . A 24 ARG HE H 1 7.24 . A 24 ARG HGx H 1 0.92 . A 24 ARG HGy H 1 1.38 . A 24 ARG CA C 13 56.5 . A 24 ARG CB C 13 33.5 . A 24 ARG CD C 13 43.3 . A 24 ARG CG C 13 27.7 . A 24 ARG N N 15 116.7 . A 24 ARG NE N 15 111.0 . A 25 TYR H H 1 8.15 . A 25 TYR HA H 1 5.47 . A 25 TYR HBx H 1 2.81 . A 25 TYR HBy H 1 3.07 . A 25 TYR HDx H 1 7.12 . A 25 TYR HDy H 1 7.12 . A 25 TYR HEx H 1 6.89 . A 25 TYR HEy H 1 6.89 . A 25 TYR CA C 13 56.9 . A 25 TYR CB C 13 43.1 . A 25 TYR CD1 C 13 133.0 . A 25 TYR CE1 C 13 117.8 . A 25 TYR N N 15 116.8 . A 26 ASP H H 1 9.12 . A 26 ASP HA H 1 5.25 . A 26 ASP HBy H 1 2.58 . A 26 ASP HBx H 1 2.38 . A 26 ASP CA C 13 52.4 . A 26 ASP CB C 13 44.5 . A 26 ASP N N 15 116.9 . A 27 ILE H H 1 8.64 . A 27 ILE HA H 1 4.10 . A 27 ILE HB H 1 1.58 . A 27 ILE HD1% H 1 0.44 . A 27 ILE HG1x H 1 0.01 . A 27 ILE HG1y H 1 0.86 . A 27 ILE HG2% H 1 0.66 . A 27 ILE CA C 13 61.4 . A 27 ILE CB C 13 38.6 . A 27 ILE CD1 C 13 13.8 . A 27 ILE CG1 C 13 27.4 . A 27 ILE CG2 C 13 17.9 . A 27 ILE N N 15 121.2 . A 28 VAL H H 1 8.84 . A 28 VAL HA H 1 3.93 . A 28 VAL HB H 1 1.61 . A 28 VAL HGx% H 1 0.84 . A 28 VAL HGy% H 1 0.83 . A 28 VAL CA C 13 63.8 . A 28 VAL CB C 13 32.9 . A 28 VAL CG1 C 13 21.4 . A 28 VAL CG2 C 13 21.3 . A 28 VAL N N 15 128.7 . A 29 GLU H H 1 7.18 . A 29 GLU HA H 1 4.49 . A 29 GLU HBx H 1 1.94 . A 29 GLU HBy H 1 1.94 . A 29 GLU HGx H 1 2.14 . A 29 GLU HGy H 1 2.14 . A 29 GLU CA C 13 55.2 . A 29 GLU CB C 13 32.9 . A 29 GLU CG C 13 35.6 . A 29 GLU N N 15 116.0 . A 30 GLN H H 1 8.76 . A 30 GLN HA H 1 5.45 . A 30 GLN HBx H 1 1.93 . A 30 GLN HBy H 1 2.14 . A 30 GLN CA C 13 54.2 . A 30 GLN CB C 13 33.1 . A 30 GLN N N 15 117.2 . A 31 THR H H 1 8.20 . A 31 THR HA H 1 4.16 . A 31 THR HB H 1 3.69 . A 31 THR HG2% H 1 1.29 . A 31 THR CA C 13 64.5 . A 31 THR CB C 13 70.3 . A 31 THR CG2 C 13 21.8 . A 31 THR N N 15 119.4 . A 32 GLU H H 1 9.23 . A 32 GLU HA H 1 4.17 . A 32 GLU HBy H 1 2.21 . A 32 GLU HBx H 1 2.11 . A 32 GLU HGy H 1 2.61 . A 32 GLU HGx H 1 2.42 . A 32 GLU CA C 13 60.0 . A 32 GLU CB C 13 31.0 . A 32 GLU CG C 13 36.5 . A 32 GLU N N 15 129.6 . A 33 THR H H 1 7.51 . A 33 THR HA H 1 5.32 . A 33 THR HB H 1 3.97 . A 33 THR HG2% H 1 1.00 . A 33 THR CA C 13 58.5 . A 33 THR CB C 13 73.1 . A 33 THR CG2 C 13 21.4 . A 33 THR N N 15 107.5 . A 34 VAL H H 1 8.70 . A 34 VAL HA H 1 4.67 . A 34 VAL HB H 1 1.92 . A 34 VAL HGx% H 1 0.84 . A 34 VAL HGy% H 1 0.70 . A 34 VAL CA C 13 59.2 . A 34 VAL CB C 13 35.2 . A 34 VAL CG1 C 13 22.4 . A 34 VAL CG2 C 13 20.3 . A 34 VAL N N 15 112.0 . A 35 GLN H H 1 8.93 . A 35 GLN HA H 1 4.79 . A 35 GLN HBx H 1 2.02 . A 35 GLN HBy H 1 2.02 . A 35 GLN HE2y H 1 7.91 . A 35 GLN HE2x H 1 6.65 . A 35 GLN HGx H 1 2.18 . A 35 GLN HGy H 1 2.23 . A 35 GLN CA C 13 54.8 . A 35 GLN CB C 13 29.9 . A 35 GLN CG C 13 33.7 . A 35 GLN N N 15 123.2 . A 35 GLN NE2 N 15 112.8 . A 36 VAL H H 1 7.94 . A 36 VAL HA H 1 4.85 . A 36 VAL HB H 1 1.73 . A 36 VAL HGx% H 1 0.41 . A 36 VAL HGy% H 1 0.89 . A 36 VAL CA C 13 61.3 . A 36 VAL CB C 13 34.2 . A 36 VAL CG1 C 13 21.8 . A 36 VAL CG2 C 13 22.9 . A 36 VAL N N 15 124.3 . A 37 ASP H H 1 8.67 . A 37 ASP HA H 1 5.24 . A 37 ASP HBx H 1 2.27 . A 37 ASP HBy H 1 2.51 . A 37 ASP CA C 13 53.0 . A 37 ASP CB C 13 44.7 . A 37 ASP N N 15 126.9 . A 38 LEU H H 1 8.85 . A 38 LEU HA H 1 5.16 . A 38 LEU HBx H 1 0.86 . A 38 LEU HBy H 1 1.54 . A 38 LEU HDx% H 1 0.17 . A 38 LEU HDy% H 1 -0.02 . A 38 LEU HG H 1 1.12 . A 38 LEU CA C 13 52.4 . A 38 LEU CB C 13 46.1 . A 38 LEU CD1 C 13 26.1 . A 38 LEU CD2 C 13 24.6 . A 38 LEU CG C 13 26.8 . A 38 LEU N N 15 119.1 . A 39 GLU H H 1 8.38 . A 39 GLU HA H 1 5.21 . A 39 GLU HBx H 1 1.90 . A 39 GLU HBy H 1 1.99 . A 39 GLU HGx H 1 2.18 . A 39 GLU HGy H 1 2.31 . A 39 GLU CA C 13 54.6 . A 39 GLU CB C 13 33.9 . A 39 GLU CG C 13 36.0 . A 39 GLU N N 15 120.8 . A 40 GLY H H 1 8.11 . A 40 GLY HAy H 1 4.23 . A 40 GLY HAx H 1 3.73 . A 40 GLY CA C 13 45.0 . A 40 GLY N N 15 110.0 . A 41 PRO HA H 1 4.38 . A 41 PRO HBx H 1 1.81 . A 41 PRO HBy H 1 2.34 . A 41 PRO HDx H 1 3.38 . A 41 PRO HDy H 1 3.38 . A 41 PRO HGx H 1 1.96 . A 41 PRO HGy H 1 2.02 . A 41 PRO CA C 13 62.2 . A 41 PRO CB C 13 32.4 . A 41 PRO CD C 13 49.3 . A 41 PRO CG C 13 26.4 . A 42 ARG H H 1 9.02 . A 42 ARG HA H 1 3.79 . A 42 ARG HBx H 1 1.78 . A 42 ARG HBy H 1 1.78 . A 42 ARG HDx H 1 3.19 . A 42 ARG HDy H 1 3.19 . A 42 ARG HGx H 1 1.54 . A 42 ARG HGy H 1 1.64 . A 42 ARG CA C 13 60.4 . A 42 ARG CB C 13 29.9 . A 42 ARG CD C 13 43.1 . A 42 ARG CG C 13 28.1 . A 42 ARG N N 15 125.5 . A 43 GLY H H 1 9.31 . A 43 GLY HAx H 1 3.89 . A 43 GLY HAy H 1 3.89 . A 43 GLY CA C 13 47.0 . A 43 GLY N N 15 107.2 . A 44 VAL H H 1 6.93 . A 44 VAL HA H 1 3.80 . A 44 VAL HB H 1 1.95 . A 44 VAL HGx% H 1 0.88 . A 44 VAL HGy% H 1 1.03 . A 44 VAL CA C 13 65.1 . A 44 VAL CB C 13 32.0 . A 44 VAL CG1 C 13 21.7 . A 44 VAL CG2 C 13 22.0 . A 44 VAL N N 15 121.1 . A 45 LEU H H 1 7.83 . A 45 LEU HA H 1 3.89 . A 45 LEU HBx H 1 1.37 . A 45 LEU HBy H 1 1.82 . A 45 LEU HDx% H 1 0.53 . A 45 LEU HDy% H 1 0.47 . A 45 LEU HG H 1 0.87 . A 45 LEU CA C 13 58.1 . A 45 LEU CB C 13 41.8 . A 45 LEU CD1 C 13 25.3 . A 45 LEU CD2 C 13 24.4 . A 45 LEU CG C 13 26.4 . A 45 LEU N N 15 120.7 . A 46 THR H H 1 8.34 . A 46 THR HA H 1 3.85 . A 46 THR HB H 1 4.30 . A 46 THR HG2% H 1 1.32 . A 46 THR CA C 13 66.8 . A 46 THR CB C 13 68.8 . A 46 THR CG2 C 13 21.8 . A 46 THR N N 15 114.9 . A 47 VAL H H 1 7.21 . A 47 VAL HA H 1 3.82 . A 47 VAL HB H 1 2.19 . A 47 VAL HGx% H 1 1.01 . A 47 VAL HGy% H 1 1.11 . A 47 VAL CA C 13 65.6 . A 47 VAL CB C 13 31.9 . A 47 VAL CG1 C 13 21.2 . A 47 VAL CG2 C 13 22.3 . A 47 VAL N N 15 119.6 . A 48 PHE H H 1 8.14 . A 48 PHE HA H 1 4.21 . A 48 PHE HBx H 1 3.16 . A 48 PHE HBy H 1 3.16 . A 48 PHE HDx H 1 7.03 . A 48 PHE HDy H 1 7.03 . A 48 PHE HEx H 1 7.21 . A 48 PHE HEy H 1 7.21 . A 48 PHE HZ H 1 6.94 . A 48 PHE CA C 13 61.1 . A 48 PHE CB C 13 39.2 . A 48 PHE CD1 C 13 131.2 . A 48 PHE CE1 C 13 131.1 . A 48 PHE CZ C 13 129.9 . A 48 PHE N N 15 120.6 . A 49 ARG H H 1 8.15 . A 49 ARG HA H 1 3.71 . A 49 ARG HBx H 1 1.62 . A 49 ARG HBy H 1 1.79 . A 49 ARG HDx H 1 3.03 . A 49 ARG HDy H 1 3.03 . A 49 ARG HGy H 1 1.46 . A 49 ARG HGx H 1 1.35 . A 49 ARG CA C 13 58.5 . A 49 ARG CB C 13 30.0 . A 49 ARG CD C 13 43.4 . A 49 ARG CG C 13 27.1 . A 49 ARG N N 15 117.5 . A 50 PHE H H 1 7.27 . A 50 PHE HA H 1 4.62 . A 50 PHE HBx H 1 2.89 . A 50 PHE HBy H 1 3.36 . A 50 PHE HDx H 1 7.39 . A 50 PHE HDy H 1 7.39 . A 50 PHE HEx H 1 7.33 . A 50 PHE HEy H 1 7.33 . A 50 PHE HZ H 1 7.30 . A 50 PHE CA C 13 57.7 . A 50 PHE CB C 13 39.6 . A 50 PHE CD1 C 13 131.8 . A 50 PHE CE1 C 13 131.3 . A 50 PHE CZ C 13 129.7 . A 50 PHE N N 15 115.5 . A 51 ALA H H 1 7.62 . A 51 ALA HA H 1 4.32 . A 51 ALA HB% H 1 1.36 . A 51 ALA CA C 13 51.7 . A 51 ALA CB C 13 19.3 . A 51 ALA N N 15 124.2 . A 52 ARG H H 1 8.57 . A 52 ARG HA H 1 4.27 . A 52 ARG HBy H 1 1.75 . A 52 ARG HBx H 1 1.71 . A 52 ARG HDx H 1 3.17 . A 52 ARG HDy H 1 3.17 . A 52 ARG HGx H 1 1.53 . A 52 ARG HGy H 1 1.64 . A 52 ARG CA C 13 54.7 . A 52 ARG CB C 13 29.3 . A 52 ARG CD C 13 43.3 . A 52 ARG CG C 13 26.7 . A 52 ARG N N 15 123.5 . A 53 PRO HA H 1 4.24 . A 53 PRO HBy H 1 1.88 . A 53 PRO HBx H 1 1.77 . A 53 PRO HDy H 1 3.78 . A 53 PRO HDx H 1 3.44 . A 53 PRO HGx H 1 1.95 . A 53 PRO HGy H 1 1.95 . A 53 PRO CA C 13 63.6 . A 53 PRO CB C 13 31.6 . A 53 PRO CD C 13 50.8 . A 53 PRO CG C 13 27.5 . A 54 SER H H 1 8.10 . A 54 SER HA H 1 4.39 . A 54 SER HBx H 1 3.67 . A 54 SER HBy H 1 3.89 . A 54 SER CA C 13 57.2 . A 54 SER CB C 13 63.1 . A 54 SER N N 15 117.2 . A 55 TYR H H 1 6.64 . A 55 TYR HA H 1 5.03 . A 55 TYR HBx H 1 1.87 . A 55 TYR HBy H 1 1.87 . A 55 TYR HDx H 1 6.78 . A 55 TYR HDy H 1 6.78 . A 55 TYR HEx H 1 6.83 . A 55 TYR HEy H 1 6.83 . A 55 TYR CA C 13 53.9 . A 55 TYR CB C 13 39.2 . A 55 TYR CD1 C 13 133.9 . A 55 TYR CE1 C 13 118.1 . A 55 TYR N N 15 119.2 . A 56 GLU H H 1 8.89 . A 56 GLU HA H 1 4.74 . A 56 GLU HBy H 1 2.04 . A 56 GLU HBx H 1 1.94 . A 56 GLU HGx H 1 2.20 . A 56 GLU HGy H 1 2.20 . A 56 GLU CA C 13 55.7 . A 56 GLU CB C 13 35.0 . A 56 GLU CG C 13 36.3 . A 56 GLU N N 15 118.8 . A 57 VAL H H 1 8.83 . A 57 VAL HA H 1 5.37 . A 57 VAL HB H 1 2.00 . A 57 VAL HGx% H 1 0.96 . A 57 VAL HGy% H 1 1.03 . A 57 VAL CA C 13 59.9 . A 57 VAL CB C 13 33.3 . A 57 VAL CG1 C 13 22.6 . A 57 VAL CG2 C 13 19.9 . A 57 VAL N N 15 117.8 . A 58 PHE H H 1 8.87 . A 58 PHE HA H 1 6.09 . A 58 PHE HBx H 1 2.73 . A 58 PHE HBy H 1 2.73 . A 58 PHE CA C 13 55.6 . A 58 PHE CB C 13 42.7 . A 58 PHE N N 15 120.6 . A 59 VAL H H 1 8.27 . A 59 VAL HA H 1 4.73 . A 59 VAL HB H 1 1.85 . A 59 VAL HGx% H 1 0.90 . A 59 VAL HGy% H 1 0.84 . A 59 VAL CA C 13 58.5 . A 59 VAL CB C 13 34.8 . A 59 VAL CG1 C 13 24.6 . A 59 VAL CG2 C 13 20.1 . A 59 VAL N N 15 108.7 . A 60 ASP H H 1 9.36 . A 60 ASP HA H 1 5.08 . A 60 ASP HBy H 1 3.25 . A 60 ASP HBx H 1 2.47 . A 60 ASP CA C 13 52.7 . A 60 ASP CB C 13 41.1 . A 60 ASP N N 15 123.0 . A 61 LEU H H 1 9.23 . A 61 LEU HA H 1 4.67 . A 61 LEU HBy H 1 2.85 . A 61 LEU HBx H 1 2.08 . A 61 LEU HDx% H 1 0.64 . A 61 LEU HDy% H 1 0.56 . A 61 LEU HG H 1 1.35 . A 61 LEU CA C 13 53.3 . A 61 LEU CB C 13 40.9 . A 61 LEU CD1 C 13 26.3 . A 61 LEU CD2 C 13 23.7 . A 61 LEU CG C 13 27.3 . A 61 LEU N N 15 128.6 . A 62 THR H H 1 8.72 . A 62 THR HA H 1 3.59 . A 62 THR HB H 1 4.12 . A 62 THR HG2% H 1 1.17 . A 62 THR CA C 13 67.0 . A 62 THR CB C 13 69.1 . A 62 THR CG2 C 13 22.3 . A 62 THR N N 15 115.8 . A 63 GLU H H 1 8.49 . A 63 GLU HA H 1 4.53 . A 63 GLU HBy H 1 2.28 . A 63 GLU HBx H 1 1.63 . A 63 GLU HGx H 1 2.10 . A 63 GLU HGy H 1 2.23 . A 63 GLU CA C 13 55.1 . A 63 GLU CB C 13 29.2 . A 63 GLU CG C 13 36.2 . A 63 GLU N N 15 118.8 . A 64 ALA H H 1 7.10 . A 64 ALA HA H 1 4.13 . A 64 ALA HB% H 1 0.71 . A 64 ALA CA C 13 51.5 . A 64 ALA CB C 13 20.9 . A 64 ALA N N 15 123.7 . A 65 GLY H H 1 7.80 . A 65 GLY HAy H 1 4.18 . A 65 GLY HAx H 1 3.54 . A 65 GLY CA C 13 42.6 . A 65 GLY N N 15 106.8 . A 66 GLU H H 1 8.49 . A 66 GLU HA H 1 3.75 . A 66 GLU HBy H 1 2.25 . A 66 GLU HBx H 1 2.16 . A 66 GLU HGx H 1 2.35 . A 66 GLU HGy H 1 2.35 . A 66 GLU CA C 13 57.4 . A 66 GLU CB C 13 30.3 . A 66 GLU CG C 13 36.2 . A 66 GLU N N 15 119.9 . A 67 GLY H H 1 8.47 . A 67 GLY HAx H 1 3.77 . A 67 GLY HAy H 1 4.39 . A 67 GLY CA C 13 43.4 . A 67 GLY N N 15 110.8 . A 68 SER H H 1 8.25 . A 68 SER HA H 1 4.61 . A 68 SER HBy H 1 3.60 . A 68 SER HBx H 1 3.56 . A 68 SER CA C 13 57.7 . A 68 SER CB C 13 63.3 . A 68 SER N N 15 114.5 . A 69 HIS H H 1 8.78 . A 69 HIS HA H 1 4.79 . A 69 HIS HBx H 1 2.84 . A 69 HIS HBy H 1 2.84 . A 69 HIS CA C 13 55.3 . A 69 HIS CB C 13 33.9 . A 69 HIS N N 15 125.4 . A 70 THR H H 1 8.87 . A 70 THR HA H 1 5.38 . A 70 THR HB H 1 3.97 . A 70 THR HG2% H 1 1.06 . A 70 THR CA C 13 61.6 . A 70 THR CB C 13 69.4 . A 70 THR CG2 C 13 21.4 . A 70 THR N N 15 121.2 . A 71 VAL H H 1 8.86 . A 71 VAL HA H 1 4.73 . A 71 VAL HB H 1 2.08 . A 71 VAL HGx% H 1 0.91 . A 71 VAL HGy% H 1 0.84 . A 71 VAL CA C 13 58.9 . A 71 VAL CB C 13 36.0 . A 71 VAL CG1 C 13 21.1 . A 71 VAL CG2 C 13 19.7 . A 71 VAL N N 15 122.1 . A 72 ASP H H 1 8.61 . A 72 ASP HA H 1 4.66 . A 72 ASP HBy H 1 2.49 . A 72 ASP HBx H 1 2.43 . A 72 ASP CA C 13 55.5 . A 72 ASP CB C 13 40.8 . A 72 ASP N N 15 124.3 . A 73 VAL H H 1 8.09 . A 73 VAL HA H 1 3.77 . A 73 VAL HB H 1 1.78 . A 73 VAL HGx% H 1 0.84 . A 73 VAL HGy% H 1 0.73 . A 73 VAL CA C 13 63.6 . A 73 VAL CB C 13 31.6 . A 73 VAL CG1 C 13 22.8 . A 73 VAL CG2 C 13 22.1 . A 73 VAL N N 15 121.4 . A 74 GLU H H 1 8.90 . A 74 GLU HA H 1 4.37 . A 74 GLU HBx H 1 1.49 . A 74 GLU HBy H 1 1.49 . A 74 GLU HGx H 1 1.88 . A 74 GLU HGy H 1 1.88 . A 74 GLU CA C 13 54.7 . A 74 GLU CB C 13 33.3 . A 74 GLU CG C 13 36.8 . A 74 GLU N N 15 129.6 . A 75 HIS H H 1 7.94 . A 75 HIS HA H 1 5.83 . A 75 HIS HBx H 1 2.87 . A 75 HIS HBy H 1 2.87 . A 75 HIS CA C 13 54.1 . A 75 HIS CB C 13 39.5 . A 75 HIS N N 15 112.8 . A 76 ARG H H 1 9.21 . A 76 ARG HA H 1 5.17 . A 76 ARG HBx H 1 1.98 . A 76 ARG HBy H 1 1.98 . A 76 ARG HGx H 1 1.58 . A 76 ARG HGy H 1 1.67 . A 76 ARG CA C 13 55.3 . A 76 ARG CB C 13 33.4 . A 76 ARG CG C 13 27.3 . A 76 ARG N N 15 117.1 . A 77 GLY H H 1 8.74 . A 77 GLY HAy H 1 4.41 . A 77 GLY HAx H 1 3.67 . A 77 GLY CA C 13 45.4 . A 77 GLY N N 15 107.4 . A 78 PHE H H 1 7.92 . A 78 PHE HA H 1 4.45 . A 78 PHE HBx H 1 2.98 . A 78 PHE HBy H 1 2.98 . A 78 PHE HDx H 1 6.90 . A 78 PHE HDy H 1 6.90 . A 78 PHE HEx H 1 6.61 . A 78 PHE HEy H 1 6.61 . A 78 PHE HZ H 1 6.45 . A 78 PHE CA C 13 54.2 . A 78 PHE CB C 13 41.0 . A 78 PHE CD1 C 13 131.6 . A 78 PHE CE1 C 13 130.5 . A 78 PHE CZ C 13 128.8 . A 78 PHE N N 15 120.2 . A 79 PRO HA H 1 4.47 . A 79 PRO HBx H 1 2.54 . A 79 PRO HBy H 1 2.54 . A 79 PRO HDx H 1 3.09 . A 79 PRO HDy H 1 3.09 . A 79 PRO HGx H 1 1.76 . A 79 PRO HGy H 1 1.76 . A 79 PRO CA C 13 63.3 . A 79 PRO CB C 13 32.2 . A 79 PRO CD C 13 50.9 . A 79 PRO CG C 13 32.5 . A 80 GLY H H 1 8.82 . A 80 GLY HAy H 1 4.02 . A 80 GLY HAx H 1 3.89 . A 80 GLY CA C 13 46.6 . A 80 GLY N N 15 110.1 . A 81 ASP H H 1 8.36 . A 81 ASP HA H 1 4.56 . A 81 ASP HBy H 1 2.69 . A 81 ASP HBx H 1 2.54 . A 81 ASP CA C 13 53.8 . A 81 ASP CB C 13 40.3 . A 81 ASP N N 15 114.8 . A 82 LEU H H 1 7.40 . A 82 LEU HA H 1 4.72 . A 82 LEU HBx H 1 0.84 . A 82 LEU HBy H 1 1.53 . A 82 LEU HDx% H 1 0.38 . A 82 LEU HDy% H 1 0.47 . A 82 LEU HG H 1 1.41 . A 82 LEU CA C 13 52.8 . A 82 LEU CB C 13 42.9 . A 82 LEU CD1 C 13 26.4 . A 82 LEU CD2 C 13 23.3 . A 82 LEU CG C 13 26.3 . A 82 LEU N N 15 115.5 . A 83 ALA H H 1 8.93 . A 83 ALA HA H 1 4.53 . A 83 ALA HB% H 1 1.32 . A 83 ALA CA C 13 50.9 . A 83 ALA CB C 13 19.6 . A 83 ALA N N 15 124.9 . A 84 VAL H H 1 8.57 . A 84 VAL HA H 1 3.93 . A 84 VAL HB H 1 1.15 . A 84 VAL HGx% H 1 -0.33 . A 84 VAL HGy% H 1 -0.18 . A 84 VAL CA C 13 61.3 . A 84 VAL CB C 13 32.8 . A 84 VAL CG1 C 13 20.0 . A 84 VAL CG2 C 13 19.3 . A 84 VAL N N 15 126.8 . A 85 THR H H 1 9.00 . A 85 THR HA H 1 4.44 . A 85 THR HB H 1 3.88 . A 85 THR HG2% H 1 1.10 . A 85 THR CA C 13 61.9 . A 85 THR CB C 13 70.1 . A 85 THR CG2 C 13 21.4 . A 85 THR N N 15 125.5 . A 86 VAL H H 1 8.28 . A 86 VAL HA H 1 5.01 . A 86 VAL HB H 1 1.81 . A 86 VAL HGx% H 1 0.76 . A 86 VAL HGy% H 1 0.77 . A 86 VAL CA C 13 59.3 . A 86 VAL CB C 13 33.7 . A 86 VAL CG1 C 13 21.7 . A 86 VAL CG2 C 13 20.1 . A 86 VAL N N 15 123.2 . A 87 GLU H H 1 8.56 . A 87 GLU HA H 1 4.72 . A 87 GLU HBx H 1 1.81 . A 87 GLU HBy H 1 1.81 . A 87 GLU HGx H 1 2.07 . A 87 GLU HGy H 1 2.07 . A 87 GLU CA C 13 52.4 . A 87 GLU CB C 13 33.6 . A 87 GLU CG C 13 35.8 . A 87 GLU N N 15 124.4 . A 88 PRO HA H 1 4.77 . A 88 PRO HBy H 1 2.56 . A 88 PRO HBx H 1 2.42 . A 88 PRO HDx H 1 3.58 . A 88 PRO HDy H 1 3.58 . A 88 PRO HGy H 1 2.03 . A 88 PRO HGx H 1 1.81 . A 88 PRO CA C 13 62.8 . A 88 PRO CB C 13 34.3 . A 88 PRO CD C 13 50.0 . A 88 PRO CG C 13 24.8 . A 89 ARG H H 1 8.20 . A 89 ARG HA H 1 4.05 . A 89 ARG HBx H 1 1.88 . A 89 ARG HBy H 1 1.88 . A 89 ARG HDx H 1 3.27 . A 89 ARG HDy H 1 3.32 . A 89 ARG HE H 1 7.35 . A 89 ARG HGx H 1 1.76 . A 89 ARG HGy H 1 1.81 . A 89 ARG CA C 13 57.3 . A 89 ARG CB C 13 30.7 . A 89 ARG CD C 13 43.3 . A 89 ARG CG C 13 27.6 . A 89 ARG N N 15 114.4 . A 89 ARG NE N 15 110.8 . A 90 MET H H 1 7.75 . A 90 MET HA H 1 5.06 . A 90 MET HBx H 1 1.76 . A 90 MET HBy H 1 1.76 . A 90 MET HE% H 1 1.97 . A 90 MET HGx H 1 2.42 . A 90 MET HGy H 1 2.42 . A 90 MET CA C 13 53.7 . A 90 MET CB C 13 34.7 . A 90 MET CE C 13 17.0 . A 90 MET CG C 13 31.9 . A 90 MET N N 15 115.9 . A 91 ALA H H 1 9.02 . A 91 ALA HA H 1 4.64 . A 91 ALA HB% H 1 1.07 . A 91 ALA CA C 13 49.3 . A 91 ALA CB C 13 23.6 . A 91 ALA N N 15 123.2 . A 92 ARG H H 1 8.37 . A 92 ARG HA H 1 5.48 . A 92 ARG HBy H 1 1.64 . A 92 ARG HBx H 1 1.54 . A 92 ARG HDx H 1 3.02 . A 92 ARG HDy H 1 3.02 . A 92 ARG HE H 1 7.14 . A 92 ARG HGy H 1 1.43 . A 92 ARG HGx H 1 1.31 . A 92 ARG CA C 13 54.0 . A 92 ARG CB C 13 32.6 . A 92 ARG CD C 13 43.1 . A 92 ARG CG C 13 27.5 . A 92 ARG N N 15 119.6 . A 92 ARG NE N 15 14.0 . A 93 VAL H H 1 8.92 . A 93 VAL HA H 1 4.51 . A 93 VAL HB H 1 1.77 . A 93 VAL HGx% H 1 0.72 . A 93 VAL HGy% H 1 0.78 . A 93 VAL CA C 13 61.0 . A 93 VAL CB C 13 36.9 . A 93 VAL CG1 C 13 21.9 . A 93 VAL CG2 C 13 21.3 . A 93 VAL N N 15 124.1 . A 94 GLN H H 1 8.93 . A 94 GLN HA H 1 5.40 . A 94 GLN HBx H 1 1.90 . A 94 GLN HBy H 1 1.90 . A 94 GLN HE2y H 1 7.60 . A 94 GLN HE2x H 1 6.77 . A 94 GLN HGx H 1 1.92 . A 94 GLN HGy H 1 2.16 . A 94 GLN CA C 13 53.5 . A 94 GLN CB C 13 30.3 . A 94 GLN CG C 13 32.6 . A 94 GLN N N 15 127.9 . A 94 GLN NE2 N 15 110.1 . A 95 LEU H H 1 8.87 . A 95 LEU HA H 1 5.39 . A 95 LEU HBx H 1 1.37 . A 95 LEU HBy H 1 1.89 . A 95 LEU HDx% H 1 0.45 . A 95 LEU HDy% H 1 0.32 . A 95 LEU HG H 1 1.36 . A 95 LEU CA C 13 53.0 . A 95 LEU CB C 13 44.8 . A 95 LEU CD1 C 13 25.1 . A 95 LEU CD2 C 13 24.6 . A 95 LEU CG C 13 27.4 . A 95 LEU N N 15 126.4 . A 96 GLU H H 1 9.30 . A 96 GLU HA H 1 5.00 . A 96 GLU HBy H 1 1.99 . A 96 GLU HBx H 1 1.89 . A 96 GLU HGy H 1 2.19 . A 96 GLU HGx H 1 0.84 . A 96 GLU CA C 13 54.3 . A 96 GLU CB C 13 33.8 . A 96 GLU CG C 13 36.0 . A 96 GLU N N 15 122.7 . A 97 GLU H H 1 9.73 . A 97 GLU HA H 1 4.36 . A 97 GLU HBx H 1 1.99 . A 97 GLU HBy H 1 2.07 . A 97 GLU HGx H 1 2.29 . A 97 GLU HGy H 1 2.29 . A 97 GLU CA C 13 57.6 . A 97 GLU CB C 13 30.0 . A 97 GLU CG C 13 37.1 . A 97 GLU N N 15 126.2 . A 98 ARG H H 1 8.30 . A 98 ARG HA H 1 4.18 . A 98 ARG HBy H 1 1.62 . A 98 ARG HBx H 1 1.37 . A 98 ARG HDx H 1 3.06 . A 98 ARG HDy H 1 3.06 . A 98 ARG HE H 1 7.06 . A 98 ARG HGx H 1 1.39 . A 98 ARG HGy H 1 1.50 . A 98 ARG CA C 13 56.8 . A 98 ARG CB C 13 30.7 . A 98 ARG CD C 13 43.1 . A 98 ARG CG C 13 27.6 . A 98 ARG N N 15 126.5 . A 98 ARG NE N 15 110.3 . A 99 GLN H H 1 8.81 . A 99 GLN HA H 1 4.37 . A 99 GLN HBy H 1 2.09 . A 99 GLN HBx H 1 1.95 . A 99 GLN HE2y H 1 7.64 . A 99 GLN HE2x H 1 6.90 . A 99 GLN HGx H 1 2.38 . A 99 GLN HGy H 1 2.38 . A 99 GLN CA C 13 55.6 . A 99 GLN CB C 13 29.5 . A 99 GLN CG C 13 33.7 . A 99 GLN N N 15 123.7 . A 99 GLN NE2 N 15 113.3 . A 100 THR H H 1 8.34 . A 100 THR HA H 1 4.33 . A 100 THR HB H 1 4.14 . A 100 THR HG2% H 1 1.16 . A 100 THR CA C 13 61.7 . A 100 THR CB C 13 69.8 . A 100 THR CG2 C 13 21.4 . A 100 THR N N 15 116.7 . A 101 VAL H H 1 8.29 . A 101 VAL HA H 1 4.17 . A 101 VAL HB H 1 2.06 . A 101 VAL HGx% H 1 0.91 . A 101 VAL HGy% H 1 0.92 . A 101 VAL CA C 13 61.9 . A 101 VAL CB C 13 32.8 . A 101 VAL CG1 C 13 21.4 . A 101 VAL CG2 C 13 20.5 . A 101 VAL N N 15 122.9 . A 102 SER H H 1 8.49 . A 102 SER HA H 1 4.47 . A 102 SER HBx H 1 3.79 . A 102 SER HBy H 1 3.79 . A 102 SER CA C 13 58.0 . A 102 SER CB C 13 63.6 . A 102 SER N N 15 120.7 . A 103 VAL H H 1 8.24 . A 103 VAL HA H 1 4.42 . A 103 VAL HB H 1 2.06 . A 103 VAL HGx% H 1 0.92 . A 103 VAL HGy% H 1 0.92 . A 103 VAL CA C 13 59.7 . A 103 VAL CB C 13 32.7 . A 103 VAL CG1 C 13 21.4 . A 103 VAL CG2 C 13 21.3 . A 103 VAL N N 15 123.9 . A 104 PRO HA H 1 4.42 . A 104 PRO HBx H 1 1.84 . A 104 PRO HBy H 1 2.27 . A 104 PRO HDy H 1 3.85 . A 104 PRO HDx H 1 3.66 . A 104 PRO HGy H 1 2.02 . A 104 PRO HGx H 1 1.96 . A 104 PRO CA C 13 63.0 . A 104 PRO CB C 13 32.0 . A 104 PRO CD C 13 50.9 . A 104 PRO CG C 13 27.3 . A 105 VAL H H 1 8.34 . A 105 VAL HA H 1 4.13 . A 105 VAL HB H 1 2.06 . A 105 VAL HGx% H 1 0.95 . A 105 VAL HGy% H 1 0.96 . A 105 VAL CA C 13 62.2 . A 105 VAL CB C 13 32.6 . A 105 VAL CG1 C 13 21.4 . A 105 VAL CG2 C 13 20.7 . A 105 VAL N N 15 121.0 . A 106 THR H H 1 8.21 . A 106 THR HA H 1 4.38 . A 106 THR HB H 1 4.22 . A 106 THR HG2% H 1 1.17 . A 106 THR CA C 13 61.4 . A 106 THR CB C 13 70.0 . A 106 THR CG2 C 13 21.4 . A 106 THR N N 15 118.7 . A 107 VAL H H 1 8.28 . A 107 VAL HA H 1 4.05 . A 107 VAL HB H 1 2.05 . A 107 VAL HGx% H 1 0.92 . A 107 VAL HGy% H 1 0.92 . A 107 VAL CA C 13 62.6 . A 107 VAL CB C 13 32.6 . A 107 VAL CG1 C 13 21.4 . A 107 VAL CG2 C 13 21.3 . A 107 VAL N N 15 122.7 . A 108 GLU H H 1 8.50 . A 108 GLU HA H 1 4.23 . A 108 GLU HBx H 1 1.92 . A 108 GLU HBy H 1 1.99 . A 108 GLU HGx H 1 2.23 . A 108 GLU HGy H 1 2.23 . A 108 GLU CA C 13 56.6 . A 108 GLU CB C 13 30.0 . A 108 GLU CG C 13 36.2 . A 108 GLU N N 15 124.1 . A 109 MET H H 1 8.57 . A 109 MET HA H 1 4.46 . A 109 MET HBx H 1 2.16 . A 109 MET HBy H 1 2.22 . A 109 MET CA C 13 55.3 . A 109 MET CB C 13 26.8 . A 109 MET N N 15 121.3 . A 110 ILE H H 1 8.28 . A 110 ILE HA H 1 4.08 . A 110 ILE HB H 1 1.82 . A 110 ILE HD1% H 1 0.81 . A 110 ILE HG1y H 1 1.44 . A 110 ILE HG1x H 1 1.13 . A 110 ILE HG2% H 1 0.85 . A 110 ILE CA C 13 61.4 . A 110 ILE CB C 13 38.7 . A 110 ILE CD1 C 13 12.8 . A 110 ILE CG1 C 13 27.3 . A 110 ILE CG2 C 13 17.2 . A 110 ILE N N 15 122.6 . A 111 ASN H H 1 8.59 . A 111 ASN HA H 1 4.69 . A 111 ASN HBy H 1 2.82 . A 111 ASN HBx H 1 2.72 . A 111 ASN HD2y H 1 7.62 . A 111 ASN HD2x H 1 6.96 . A 111 ASN CA C 13 53.0 . A 111 ASN CB C 13 38.6 . A 111 ASN N N 15 122.8 . A 111 ASN ND2 N 15 112.9 . A 112 LEU H H 1 8.34 . A 112 LEU HA H 1 4.24 . A 112 LEU HBx H 1 1.52 . A 112 LEU HBy H 1 1.60 . A 112 LEU HDx% H 1 0.81 . A 112 LEU HDy% H 1 0.76 . A 112 LEU HG H 1 1.54 . A 112 LEU CA C 13 55.4 . A 112 LEU CB C 13 42.1 . A 112 LEU CD1 C 13 23.2 . A 112 LEU CD2 C 13 24.1 . A 112 LEU CG C 13 26.8 . A 112 LEU N N 15 123.6 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 THR HA A 4 PHE H 1.0 . 2.80 2 2 A 4 PHE H A 3 THR HB 1.0 . 3.59 3 3 A 5 ASP H A 4 PHE HBx 1.0 . 4.02 4 4 A 5 ASP H A 4 PHE HBy 1.0 . 4.02 5 5 A 5 ASP H A 6 HIS H 1.0 . 3.52 6 6 A 6 HIS H A 5 ASP HBx 1.0 . 5.42 7 7 A 6 HIS H A 5 ASP HBy 1.0 . 5.10 8 8 A 6 HIS HA A 7 GLY H 1.0 . 2.98 9 9 A 7 GLY H A 8 ASN H 1.0 . 4.45 10 10 A 8 ASN H A 7 GLY HAy 1.0 . 2.94 11 11 A 8 ASN H A 7 GLY HAx 1.0 . 2.94 12 12 A 9 LEU HA A 10 SER H 1.0 . 2.72 13 13 A 10 SER H A 9 LEU HBx 1.0 . 5.60 14 14 A 10 SER H A 9 LEU HBy 1.0 . 5.60 15 15 A 12 GLY HAx A 13 GLU H 1.0 . 2.98 16 16 A 13 GLU H A 12 GLY HAy 1.0 . 2.98 17 17 A 13 GLU HA A 14 LEU H 1.0 . 3.05 18 18 A 14 LEU H A 13 GLU HBy 1.0 . 4.42 19 19 A 14 LEU H A 13 GLU HBx 1.0 . 4.42 20 20 A 14 LEU HA A 15 GLU H 1.0 . 2.76 21 21 A 15 GLU H A 14 LEU HBx 1.0 . 3.70 22 22 A 15 GLU H A 14 LEU HBy 1.0 . 4.45 23 23 A 15 GLU HA A 16 LEU H 1.0 . 2.94 24 24 A 16 LEU HA A 17 THR H 1.0 . 3.34 25 25 A 17 THR HA A 18 VAL H 1.0 . 2.83 26 26 A 19 LEU HA A 20 TYR H 1.0 . 3.08 27 27 A 21 ASP HA A 22 GLU H 1.0 . 2.94 28 28 A 22 GLU HBy A 23 GLU H 1.0 . 4.85 29 29 A 23 GLU H A 22 GLU HBx 1.0 . 4.85 30 30 A 23 GLU H A 24 ARG H 1.0 . 3.01 31 31 A 24 ARG H A 23 GLU HBx 1.0 . 4.74 32 32 A 24 ARG H A 25 TYR H 1.0 . 2.90 33 33 A 25 TYR HA A 26 ASP H 1.0 . 3.26 34 34 A 27 ILE H A 26 ASP HBy 1.0 . 3.80 35 35 A 28 VAL H A 29 GLU H 1.0 . 3.16 36 36 A 29 GLU H A 28 VAL HB 1.0 . 3.12 37 37 A 29 GLU HA A 30 GLN H 1.0 . 2.62 38 38 A 30 GLN HA A 31 THR H 1.0 . 3.12 39 39 A 31 THR HB A 32 GLU H 1.0 . 4.88 40 40 A 32 GLU H A 33 THR H 1.0 . 3.08 41 41 A 33 THR H A 32 GLU HBy 1.0 . 3.91 42 42 A 33 THR H A 32 GLU HBx 1.0 . 3.91 43 43 A 33 THR HA A 34 VAL H 1.0 . 3.01 44 44 A 34 VAL H A 33 THR HB 1.0 . 3.52 45 45 A 34 VAL HA A 35 GLN H 1.0 . 3.01 46 46 A 35 GLN H A 34 VAL HB 1.0 . 3.77 47 47 A 35 GLN HA A 36 VAL H 1.0 . 3.12 48 48 A 37 ASP HA A 38 LEU H 1.0 . 3.08 49 49 A 38 LEU H A 37 ASP HBx 1.0 . 5.68 50 50 A 38 LEU H A 37 ASP HBy 1.0 . 4.92 51 51 A 38 LEU HA A 39 GLU H 1.0 . 3.26 52 52 A 39 GLU H A 38 LEU HBx 1.0 . 5.06 53 53 A 39 GLU HA A 40 GLY H 1.0 . 2.94 54 54 A 41 PRO HA A 42 ARG H 1.0 . 3.55 55 55 A 43 GLY H A 44 VAL H 1.0 . 5.17 56 56 A 45 LEU H A 46 THR H 1.0 . 3.59 57 57 A 46 THR H A 45 LEU HBy 1.0 . 4.60 58 58 A 46 THR H A 47 VAL H 1.0 . 3.48 59 59 A 49 ARG H A 50 PHE H 1.0 . 3.48 60 60 A 50 PHE H A 51 ALA H 1.0 . 2.83 61 61 A 51 ALA H A 52 ARG H 1.0 . 4.45 62 62 A 52 ARG H A 51 ALA HA 1.0 . 2.76 63 63 A 53 PRO HA A 54 SER H 1.0 . 2.76 64 64 A 54 SER H A 53 PRO HBy 1.0 . 3.80 65 65 A 54 SER H A 53 PRO HBx 1.0 . 3.80 66 66 A 54 SER H A 55 TYR H 1.0 . 2.94 67 67 A 55 TYR H A 54 SER HA 1.0 . 3.08 68 68 A 55 TYR H A 54 SER HBx 1.0 . 4.24 69 69 A 55 TYR HA A 56 GLU H 1.0 . 3.19 70 70 A 56 GLU HA A 57 VAL H 1.0 . 2.80 71 71 A 57 VAL H A 56 GLU HBy 1.0 . 4.13 72 72 A 57 VAL HA A 58 PHE H 1.0 . 3.30 73 73 A 58 PHE HA A 59 VAL H 1.0 . 3.52 74 74 A 59 VAL HA A 60 ASP H 1.0 . 3.19 75 75 A 60 ASP H A 59 VAL HB 1.0 . 3.80 76 76 A 60 ASP HA A 61 LEU H 1.0 . 3.34 77 77 A 61 LEU H A 62 THR H 1.0 . 4.38 78 78 A 62 THR H A 63 GLU H 1.0 . 3.91 79 79 A 63 GLU H A 64 ALA H 1.0 . 2.87 80 80 A 64 ALA H A 63 GLU HA 1.0 . 3.41 81 81 A 64 ALA H A 63 GLU HBx 1.0 . 4.85 82 82 A 64 ALA HA A 65 GLY H 1.0 . 2.87 83 83 A 66 GLU H A 65 GLY HAy 1.0 . 3.34 84 84 A 66 GLU H A 65 GLY HAx 1.0 . 3.34 85 85 A 66 GLU HA A 67 GLY H 1.0 . 3.12 86 86 A 67 GLY H A 68 SER H 1.0 . 4.34 87 87 A 68 SER H A 67 GLY HAy 1.0 . 3.01 88 88 A 68 SER HA A 69 HIS H 1.0 . 2.98 89 89 A 69 HIS HA A 70 THR H 1.0 . 3.19 90 90 A 70 THR HA A 71 VAL H 1.0 . 3.05 91 91 A 71 VAL HA A 72 ASP H 1.0 . 2.90 92 92 A 72 ASP HA A 73 VAL H 1.0 . 2.98 93 93 A 73 VAL H A 72 ASP HBy 1.0 . 4.16 94 94 A 73 VAL H A 72 ASP HBx 1.0 . 4.16 95 95 A 75 HIS HA A 76 ARG H 1.0 . 3.41 96 96 A 76 ARG HA A 77 GLY H 1.0 . 3.19 97 97 A 80 GLY H A 81 ASP H 1.0 . 3.34 98 98 A 81 ASP HA A 82 LEU H 1.0 . 3.44 99 99 A 82 LEU H A 81 ASP HBx 1.0 . 3.98 100 100 A 82 LEU HA A 83 ALA H 1.0 . 3.26 101 101 A 83 ALA H A 84 VAL H 1.0 . 4.81 102 102 A 84 VAL H A 83 ALA HA 1.0 . 2.87 103 103 A 84 VAL HA A 85 THR H 1.0 . 3.12 104 104 A 86 VAL HA A 87 GLU H 1.0 . 2.87 105 105 A 88 PRO HA A 89 ARG H 1.0 . 2.90 106 106 A 89 ARG H A 88 PRO HBy 1.0 . 3.73 107 107 A 89 ARG H A 88 PRO HBx 1.0 . 3.73 108 108 A 89 ARG H A 90 MET H 1.0 . 2.98 109 109 A 90 MET HA A 91 ALA H 1.0 . 3.05 110 110 A 91 ALA HA A 92 ARG H 1.0 . 2.94 111 111 A 92 ARG HBx A 93 VAL H 1.0 . 5.46 112 112 A 93 VAL HA A 94 GLN H 1.0 . 3.23 113 113 A 94 GLN H A 93 VAL HB 1.0 . 4.70 114 114 A 94 GLN HA A 95 LEU H 1.0 . 3.30 115 115 A 95 LEU HA A 96 GLU H 1.0 . 2.98 116 116 A 96 GLU HA A 97 GLU H 1.0 . 3.01 117 117 A 97 GLU H A 96 GLU HBx 1.0 . 4.20 118 118 A 97 GLU HA A 98 ARG H 1.0 . 3.12 119 119 A 98 ARG H A 97 GLU HBy 1.0 . 4.67 120 120 A 98 ARG H A 99 GLN H 1.0 . 5.86 121 121 A 99 GLN H A 98 ARG HBy 1.0 . 3.98 122 122 A 99 GLN H A 98 ARG HBx 1.0 . 3.95 123 123 A 99 GLN HA A 100 THR H 1.0 . 3.44 124 124 A 100 THR H A 99 GLN HBy 1.0 . 4.81 125 125 A 101 VAL HB A 102 SER H 1.0 . 4.58 126 126 A 105 VAL HB A 106 THR H 1.0 . 4.90 127 127 A 107 VAL HB A 108 GLU H 1.0 . 5.23 128 128 A 109 MET HA A 110 ILE H 1.0 . 4.15 129 129 A 110 ILE H A 111 ASN H 1.0 . 5.32 130 130 A 111 ASN H A 110 ILE HA 1.0 . 4.00 131 131 A 111 ASN H A 110 ILE HB 1.0 . 6.40 132 132 A 111 ASN HA A 112 LEU H 1.0 . 4.15 133 133 A 4 PHE H A 4 PHE HBx 1.0 . 3.41 134 134 A 4 PHE H A 4 PHE HBy 1.0 . 3.41 135 135 A 5 ASP H A 5 ASP HBy 1.0 . 3.52 136 136 A 8 ASN H A 8 ASN HBx 1.0 . 3.84 137 137 A 8 ASN H A 8 ASN HBy 1.0 . 3.84 138 138 A 10 SER H A 10 SER HBx 1.0 . 3.80 139 139 A 10 SER H A 10 SER HBy 1.0 . 3.80 140 140 A 13 GLU H A 13 GLU HBy 1.0 . 3.66 141 141 A 13 GLU H A 13 GLU HBx 1.0 . 3.66 142 142 A 14 LEU H A 14 LEU HBy 1.0 . 3.88 143 143 A 16 LEU H A 16 LEU HBy 1.0 . 3.73 144 144 A 16 LEU H A 16 LEU HBx 1.0 . 3.73 145 145 A 18 VAL H A 18 VAL HB 1.0 . 3.52 146 146 A 21 ASP H A 21 ASP HBy 1.0 . 4.20 147 147 A 21 ASP H A 21 ASP HBx 1.0 . 4.20 148 148 A 22 GLU H A 22 GLU HBy 1.0 . 3.70 149 149 A 23 GLU H A 23 GLU HBx 1.0 . 3.52 150 150 A 24 ARG H A 24 ARG HBx 1.0 . 3.59 151 151 A 24 ARG H A 24 ARG HBy 1.0 . 3.59 152 152 A 25 TYR H A 25 TYR HBx 1.0 . 3.80 153 153 A 25 TYR H A 25 TYR HBy 1.0 . 3.80 154 154 A 27 ILE H A 27 ILE HB 1.0 . 3.19 155 155 A 31 THR H A 31 THR HB 1.0 . 3.55 156 156 A 32 GLU H A 32 GLU HBx 1.0 . 3.84 157 157 A 36 VAL H A 36 VAL HB 1.0 . 3.44 158 158 A 38 LEU H A 38 LEU HBx 1.0 . 4.13 159 159 A 38 LEU H A 38 LEU HBy 1.0 . 4.13 160 160 A 39 GLU H A 39 GLU HBy 1.0 . 4.16 161 161 A 39 GLU H A 39 GLU HBx 1.0 . 3.91 162 162 A 44 VAL H A 44 VAL HB 1.0 . 3.16 163 163 A 45 LEU H A 45 LEU HBx 1.0 . 3.23 164 164 A 45 LEU H A 45 LEU HBy 1.0 . 3.62 165 165 A 52 ARG H A 52 ARG HBy 1.0 . 2.90 166 166 A 52 ARG H A 52 ARG HBx 1.0 . 3.30 167 167 A 56 GLU H A 56 GLU HBy 1.0 . 3.98 168 168 A 60 ASP H A 60 ASP HBy 1.0 . 3.88 169 169 A 60 ASP H A 60 ASP HBx 1.0 . 3.88 170 170 A 63 GLU H A 63 GLU HBy 1.0 . 3.88 171 171 A 63 GLU H A 63 GLU HBx 1.0 . 3.62 172 172 A 66 GLU H A 66 GLU HBy 1.0 . 3.55 173 173 A 66 GLU H A 66 GLU HBx 1.0 . 3.55 174 174 A 72 ASP H A 72 ASP HBy 1.0 . 3.77 175 175 A 72 ASP H A 72 ASP HBx 1.0 . 3.77 176 176 A 73 VAL H A 73 VAL HB 1.0 . 3.34 177 177 A 81 ASP H A 81 ASP HBy 1.0 . 3.34 178 178 A 82 LEU H A 82 LEU HBx 1.0 . 3.59 179 179 A 82 LEU H A 82 LEU HBy 1.0 . 3.59 180 180 A 84 VAL H A 84 VAL HB 1.0 . 3.34 181 181 A 93 VAL H A 93 VAL HB 1.0 . 4.20 182 182 A 100 THR H A 100 THR HB 1.0 . 3.96 183 183 A 103 VAL H A 103 VAL HB 1.0 . 3.87 184 184 A 105 VAL HB A 105 VAL H 1.0 . 3.77 185 185 A 108 GLU H A 108 GLU HBx 1.0 . 4.62 186 186 A 109 MET H A 109 MET HBx 1.0 . 5.46 187 187 A 110 ILE H A 110 ILE HB 1.0 . 4.62 188 188 A 6 HIS H A 7 GLY H 1.0 . 4.81 189 189 A 11 LEU H A 12 GLY H 1.0 . 3.59 190 190 A 22 GLU H A 23 GLU H 1.0 . 3.12 191 191 A 42 ARG H A 43 GLY H 1.0 . 4.67 192 192 A 44 VAL H A 45 LEU H 1.0 . 3.23 193 193 A 47 VAL H A 48 PHE H 1.0 . 3.12 194 194 A 64 ALA H A 65 GLY H 1.0 . 4.67 195 195 A 65 GLY H A 66 GLU H 1.0 . 3.84 196 196 A 81 ASP H A 82 LEU H 1.0 . 3.08 197 197 A 99 GLN H A 100 THR H 1.0 . 5.75 198 198 A 102 SER H A 103 VAL H 1.0 . 4.67 199 199 A 45 LEU H A 42 ARG HA 1.0 . 4.27 200 200 A 7 GLY H A 40 GLY H 1.0 . 3.41 201 201 A 39 GLU HA A 9 LEU H 1.0 . 3.84 202 202 A 14 LEU H A 34 VAL H 1.0 . 3.70 203 203 A 16 LEU H A 33 THR HA 1.0 . 3.77 204 204 A 17 THR H A 58 PHE HA 1.0 . 3.98 205 205 A 21 ASP HA A 23 GLU H 1.0 . 4.31 206 206 A 26 ASP H A 96 GLU H 1.0 . 3.84 207 207 A 29 GLU H A 27 ILE HA 1.0 . 3.95 208 208 A 29 GLU H A 94 GLN H 1.0 . 3.62 209 209 A 16 LEU H A 34 VAL H 1.0 . 4.63 210 210 A 36 VAL H A 12 GLY H 1.0 . 4.16 211 211 A 40 GLY H A 8 ASN HA 1.0 . 5.50 212 212 A 6 HIS HA A 42 ARG H 1.0 . 3.84 213 213 A 47 VAL H A 48 PHE HBx 1.0 . 5.62 214 213 A 47 VAL H A 48 PHE HBy 1.0 . 5.62 215 214 A 50 PHE H A 47 VAL HA 1.0 . 4.20 216 215 A 51 ALA H A 48 PHE HA 1.0 . 4.06 217 216 A 49 ARG H A 51 ALA H 1.0 . 4.45 218 217 A 53 PRO HA A 55 TYR H 1.0 . 3.62 219 218 A 59 VAL H A 18 VAL HA 1.0 . 3.95 220 219 A 64 ALA H A 61 LEU HA 1.0 . 4.02 221 220 A 63 GLU H A 61 LEU HA 1.0 . 4.88 222 221 A 71 VAL H A 91 ALA H 1.0 . 3.48 223 222 A 73 VAL H A 91 ALA H 1.0 . 4.67 224 223 A 73 VAL H A 90 MET HA 1.0 . 3.77 225 224 A 56 GLU H A 76 ARG H 1.0 . 3.95 226 225 A 85 THR H A 36 VAL HA 1.0 . 4.56 227 226 A 38 LEU HA A 85 THR H 1.0 . 5.21 228 227 A 85 THR H A 37 ASP H 1.0 . 4.02 229 228 A 35 GLN H A 87 GLU H 1.0 . 3.88 230 229 A 88 PRO HA A 90 MET H 1.0 . 4.42 231 230 A 28 VAL H A 96 GLU H 1.0 . 4.42 232 231 A 25 TYR HA A 98 ARG H 1.0 . 3.62 233 232 A 26 ASP H A 98 ARG H 1.0 . 4.31 234 233 A 8 ASN H A 9 LEU H 1.0 . 4.42 235 234 A 30 GLN HA A 94 GLN H 1.0 . 3.91 236 235 A 68 SER H A 69 HIS H 1.0 . 4.56 237 236 A 55 TYR H A 56 GLU H 1.0 . 4.49 238 237 A 48 PHE H A 45 LEU HA 1.0 . 4.45 239 238 A 59 VAL H A 19 LEU H 1.0 . 4.45 240 239 A 39 GLU H A 83 ALA H 1.0 . 3.88 241 240 A 7 GLY H A 42 ARG H 1.0 . 4.27 242 241 A 81 ASP H A 79 PRO HBx 1.0 . 5.05 243 241 A 81 ASP H A 79 PRO HBy 1.0 . 5.05 244 242 A 10 SER H A 9 LEU HG 1.0 . 4.60 245 243 A 15 GLU H A 14 LEU HG 1.0 . 4.96 246 244 A 21 ASP H A 20 TYR HD% 1.0 . 8.13 247 245 A 23 GLU H A 22 GLU HGx 1.0 . 5.10 248 246 A 23 GLU H A 22 GLU HGy 1.0 . 5.10 249 247 A 33 THR H A 32 GLU HGy 1.0 . 4.88 250 248 A 36 VAL H A 35 GLN HGx 1.0 . 4.85 251 249 A 57 VAL H A 56 GLU HGx 1.0 . 5.30 252 249 A 57 VAL H A 56 GLU HGy 1.0 . 5.30 253 250 A 64 ALA H A 63 GLU HGy 1.0 . 4.81 254 251 A 67 GLY H A 66 GLU HGx 1.0 . 6.05 255 251 A 67 GLY H A 66 GLU HGy 1.0 . 6.05 256 252 A 90 MET H A 89 ARG HGx 1.0 . 4.63 257 253 A 90 MET H A 89 ARG HGy 1.0 . 4.63 258 254 A 99 GLN H A 98 ARG HGx 1.0 . 4.45 259 255 A 99 GLN H A 98 ARG HGy 1.0 . 4.45 260 256 A 100 THR H A 99 GLN HGx 1.0 . 7.40 261 256 A 100 THR H A 99 GLN HGy 1.0 . 7.40 262 257 A 9 LEU H A 9 LEU HG 1.0 . 4.88 263 258 A 13 GLU H A 13 GLU HGy 1.0 . 3.59 264 259 A 13 GLU H A 13 GLU HGx 1.0 . 3.59 265 260 A 14 LEU H A 14 LEU HG 1.0 . 4.02 266 261 A 15 GLU H A 15 GLU HGy 1.0 . 4.13 267 262 A 22 GLU H A 22 GLU HGy 1.0 . 3.77 268 263 A 23 GLU H A 23 GLU HGx 1.0 . 3.55 269 264 A 24 ARG H A 24 ARG HGy 1.0 . 5.86 270 265 A 27 ILE H A 27 ILE HG1x 1.0 . 4.60 271 266 A 27 ILE H A 27 ILE HG1y 1.0 . 4.60 272 267 A 29 GLU H A 29 GLU HGx 1.0 . 5.37 273 267 A 29 GLU H A 29 GLU HGy 1.0 . 5.37 274 268 A 32 GLU H A 32 GLU HGx 1.0 . 3.70 275 269 A 38 LEU H A 38 LEU HG 1.0 . 4.06 276 270 A 45 LEU H A 45 LEU HG 1.0 . 5.71 277 271 A 49 ARG H A 49 ARG HGy 1.0 . 4.16 278 272 A 49 ARG H A 49 ARG HGx 1.0 . 4.16 279 273 A 52 ARG H A 52 ARG HGx 1.0 . 4.20 280 274 A 52 ARG H A 52 ARG HGy 1.0 . 4.20 281 275 A 56 GLU H A 56 GLU HGx 1.0 . 5.91 282 275 A 56 GLU H A 56 GLU HGy 1.0 . 5.91 283 276 A 63 GLU H A 63 GLU HGx 1.0 . 3.98 284 277 A 63 GLU H A 63 GLU HGy 1.0 . 3.44 285 278 A 66 GLU H A 66 GLU HGx 1.0 . 5.95 286 278 A 66 GLU H A 66 GLU HGy 1.0 . 5.95 287 279 A 82 LEU H A 82 LEU HG 1.0 . 3.37 288 280 A 89 ARG H A 89 ARG HGx 1.0 . 3.88 289 281 A 90 MET H A 90 MET HGx 1.0 . 4.54 290 281 A 90 MET H A 90 MET HGy 1.0 . 4.54 291 282 A 94 GLN H A 94 GLN HGx 1.0 . 5.17 292 283 A 94 GLN H A 94 GLN HGy 1.0 . 5.17 293 284 A 97 GLU H A 97 GLU HGx 1.0 . 5.15 294 284 A 97 GLU H A 97 GLU HGy 1.0 . 5.15 295 285 A 98 ARG H A 98 ARG HGx 1.0 . 5.68 296 286 A 98 ARG H A 98 ARG HGy 1.0 . 5.68 297 287 A 99 GLN H A 99 GLN HGx 1.0 . 4.61 298 287 A 99 GLN H A 99 GLN HGy 1.0 . 4.61 299 288 A 108 GLU H A 108 GLU HGx 1.0 . 8.29 300 288 A 108 GLU H A 108 GLU HGy 1.0 . 8.29 301 289 A 110 ILE H A 110 ILE HG1x 1.0 . 7.80 302 290 A 112 LEU H A 112 LEU HG 1.0 . 7.42 303 291 A 94 GLN HE2y A 94 GLN HBx 1.0 . 5.69 304 291 A 94 GLN HBy A 94 GLN HE2y 1.0 . 5.69 305 292 A 94 GLN HE2y A 94 GLN HGx 1.0 . 3.62 306 293 A 94 GLN HE2y A 94 GLN HGy 1.0 . 3.62 307 294 A 94 GLN HE2x A 94 GLN HBx 1.0 . 5.69 308 294 A 94 GLN HBy A 94 GLN HE2x 1.0 . 5.69 309 295 A 94 GLN HE2x A 94 GLN HGx 1.0 . 3.62 310 296 A 94 GLN HE2x A 94 GLN HGy 1.0 . 3.62 311 297 A 8 ASN HD2y A 39 GLU HGy 1.0 . 6.00 312 298 A 39 GLU HBy A 8 ASN HD2y 1.0 . 5.03 313 299 A 8 ASN HD2x A 39 GLU HGy 1.0 . 6.00 314 300 A 39 GLU HBy A 8 ASN HD2x 1.0 . 5.03 315 301 A 24 ARG H A 24 ARG HGx 1.0 . 5.86 316 302 A 29 GLU H A 94 GLN HBx 1.0 . 4.76 317 302 A 29 GLU H A 94 GLN HBy 1.0 . 4.76 318 303 A 35 GLN H A 87 GLU HBx 1.0 . 6.23 319 303 A 35 GLN H A 87 GLU HBy 1.0 . 6.23 320 304 A 34 VAL HB A 87 GLU H 1.0 . 4.60 321 305 A 31 THR HB A 92 ARG H 1.0 . 5.89 322 306 A 98 ARG H A 25 TYR HD% 1.0 . 7.44 323 307 A 100 THR H A 98 ARG HGx 1.0 . 7.62 324 308 A 100 THR H A 98 ARG HGy 1.0 . 7.62 325 309 A 52 ARG H A 53 PRO HDx 1.0 . 5.64 326 310 A 52 ARG H A 53 PRO HDy 1.0 . 5.64 327 311 A 54 SER H A 55 TYR HD% 1.0 . 6.33 328 312 A 24 ARG HE A 24 ARG HGy 1.0 . 4.13 329 313 A 24 ARG HE A 24 ARG HGx 1.0 . 4.13 330 314 A 98 ARG HBy A 98 ARG HE 1.0 . 4.06 331 315 A 98 ARG HBx A 98 ARG HE 1.0 . 4.06 332 316 A 24 ARG HE A 25 TYR HE% 1.0 . 7.95 333 317 A 4 PHE H A 3 THR HG2% 1.0 . 5.00 334 318 A 10 SER H A 9 LEU HDy% 1.0 . 4.82 335 319 A 10 SER H A 9 LEU HDx% 1.0 . 3.89 336 320 A 17 THR H A 16 LEU HDx% 1.0 . 4.36 337 321 A 20 TYR H A 19 LEU HDy% 1.0 . 3.92 338 322 A 28 VAL H A 27 ILE HG2% 1.0 . 3.89 339 323 A 29 GLU H A 28 VAL HGx% 1.0 . 4.54 340 324 A 29 GLU H A 28 VAL HGy% 1.0 . 4.53 341 325 A 34 VAL H A 33 THR HG2% 1.0 . 4.43 342 326 A 37 ASP H A 36 VAL HGx% 1.0 . 4.79 343 327 A 39 GLU H A 38 LEU HDy% 1.0 . 4.93 344 328 A 46 THR H A 45 LEU HDy% 1.0 . 6.95 345 329 A 47 VAL H A 46 THR HG2% 1.0 . 4.61 346 330 A 48 PHE H A 47 VAL HGy% 1.0 . 5.11 347 331 A 52 ARG H A 51 ALA HB% 1.0 . 3.85 348 332 A 60 ASP H A 59 VAL HGx% 1.0 . 5.51 349 333 A 60 ASP H A 71 VAL HGy% 1.0 . 5.58 350 334 A 65 GLY H A 64 ALA HB% 1.0 . 3.78 351 335 A 72 ASP H A 71 VAL HGx% 1.0 . 4.90 352 336 A 83 ALA H A 82 LEU HDy% 1.0 . 4.75 353 337 A 83 ALA H A 82 LEU HDx% 1.0 . 7.02 354 338 A 85 THR H A 84 VAL HGx% 1.0 . 4.18 355 339 A 92 ARG H A 91 ALA HB% 1.0 . 3.81 356 340 A 94 GLN H A 93 VAL HGy% 1.0 . 5.58 357 341 A 94 GLN H A 93 VAL HGx% 1.0 . 4.75 358 342 A 102 SER H A 101 VAL HGx% 1.0 . 6.03 359 343 A 102 SER H A 101 VAL HGy% 1.0 . 6.03 360 344 A 106 THR H A 105 VAL HGx% 1.0 . 7.67 361 345 A 106 THR HG2% A 107 VAL H 1.0 . 6.70 362 346 A 108 GLU H A 107 VAL HGx% 1.0 . 6.73 363 347 A 108 GLU H A 107 VAL HGy% 1.0 . 6.73 364 348 A 9 LEU H A 9 LEU HDy% 1.0 . 5.72 365 349 A 11 LEU H A 11 LEU HDx% 1.0 . 7.02 366 350 A 16 LEU H A 16 LEU HDy% 1.0 . 6.26 367 351 A 16 LEU H A 16 LEU HDx% 1.0 . 5.40 368 352 A 18 VAL H A 18 VAL HGy% 1.0 . 4.25 369 353 A 18 VAL H A 18 VAL HGx% 1.0 . 4.57 370 354 A 19 LEU H A 19 LEU HDy% 1.0 . 5.18 371 355 A 27 ILE H A 27 ILE HG2% 1.0 . 4.53 372 356 A 27 ILE H A 27 ILE HD1% 1.0 . 4.86 373 357 A 28 VAL H A 28 VAL HGy% 1.0 . 4.10 374 358 A 33 THR H A 33 THR HG2% 1.0 . 4.57 375 359 A 34 VAL H A 34 VAL HGx% 1.0 . 4.86 376 360 A 36 VAL H A 36 VAL HGy% 1.0 . 4.46 377 361 A 44 VAL H A 44 VAL HGy% 1.0 . 3.78 378 362 A 44 VAL H A 44 VAL HGx% 1.0 . 4.68 379 363 A 45 LEU H A 45 LEU HDy% 1.0 . 4.75 380 364 A 45 LEU H A 45 LEU HDx% 1.0 . 5.29 381 365 A 47 VAL H A 47 VAL HGy% 1.0 . 3.53 382 366 A 47 VAL H A 47 VAL HGx% 1.0 . 4.46 383 367 A 59 VAL H A 59 VAL HGy% 1.0 . 4.28 384 368 A 61 LEU H A 61 LEU HDx% 1.0 . 7.02 385 369 A 64 ALA H A 64 ALA HB% 1.0 . 3.42 386 370 A 73 VAL H A 73 VAL HGy% 1.0 . 3.71 387 371 A 73 VAL H A 73 VAL HGx% 1.0 . 4.50 388 372 A 82 LEU H A 82 LEU HDy% 1.0 . 4.75 389 373 A 82 LEU H A 82 LEU HDx% 1.0 . 4.75 390 374 A 100 THR H A 100 THR HG2% 1.0 . 5.71 391 375 A 101 VAL H A 101 VAL HGx% 1.0 . 4.86 392 376 A 103 VAL H A 103 VAL HGx% 1.0 . 5.56 393 377 A 103 VAL H A 103 VAL HGy% 1.0 . 5.56 394 378 A 105 VAL H A 105 VAL HGx% 1.0 . 6.08 395 379 A 105 VAL H A 105 VAL HGy% 1.0 . 6.08 396 380 A 7 GLY H A 45 LEU HDx% 1.0 . 4.43 397 381 A 8 ASN H A 45 LEU HDx% 1.0 . 4.79 398 382 A 29 GLU H A 27 ILE HG2% 1.0 . 3.92 399 383 A 30 GLN H A 27 ILE HG2% 1.0 . 5.47 400 384 A 31 THR H A 91 ALA HB% 1.0 . 5.72 401 385 A 33 THR H A 31 THR HG2% 1.0 . 4.57 402 386 A 44 VAL H A 82 LEU HDy% 1.0 . 6.55 403 387 A 58 PHE H A 59 VAL HGy% 1.0 . 5.43 404 388 A 59 VAL H A 16 LEU HDx% 1.0 . 4.97 405 389 A 59 VAL H A 18 VAL HGx% 1.0 . 6.05 406 390 A 70 THR H A 71 VAL HGx% 1.0 . 5.18 407 391 A 59 VAL HGx% A 74 GLU H 1.0 . 4.72 408 392 A 11 LEU HDy% A 78 PHE H 1.0 . 6.05 409 393 A 85 THR H A 36 VAL HGx% 1.0 . 6.70 410 394 A 85 THR H A 86 VAL HGy% 1.0 . 6.23 411 395 A 87 GLU H A 34 VAL HGx% 1.0 . 4.72 412 396 A 91 ALA H A 59 VAL HGy% 1.0 . 7.02 413 397 A 91 ALA H A 73 VAL HGy% 1.0 . 4.32 414 398 A 94 GLN HE2y A 28 VAL HGx% 1.0 . 5.36 415 399 A 94 GLN HE2x A 28 VAL HGy% 1.0 . 5.54 416 400 A 40 GLY H A 45 LEU HDx% 1.0 . 4.93 417 401 A 92 ARG H A 31 THR HG2% 1.0 . 5.61 418 402 A 94 GLN HE2y A 28 VAL HGy% 1.0 . 5.54 419 403 A 58 PHE H A 73 VAL HGy% 1.0 . 6.41 420 404 A 40 GLY H A 45 LEU HDy% 1.0 . 5.47 421 405 A 31 THR H A 16 LEU HDx% 1.0 . 5.22 422 406 A 31 THR H A 16 LEU HDy% 1.0 . 6.01 423 407 A 94 GLN HE2x A 28 VAL HGx% 1.0 . 5.36 424 408 A 83 ALA H A 84 VAL HGy% 1.0 . 6.30 425 409 A 14 LEU H A 34 VAL HGy% 1.0 . 6.30 426 410 A 7 GLY H A 45 LEU HDy% 1.0 . 6.59 427 411 A 96 GLU H A 28 VAL HGx% 1.0 . 6.26 428 412 A 71 VAL H A 91 ALA HB% 1.0 . 5.04 429 413 A 60 ASP H A 59 VAL HGy% 1.0 . 5.61 430 414 A 71 VAL H A 59 VAL HGx% 1.0 . 5.18 431 415 A 91 ALA H A 59 VAL HGx% 1.0 . 7.02 432 416 A 58 PHE H A 73 VAL HGx% 1.0 . 6.44 433 417 A 3 THR HA A 3 THR HB 1.0 . 2.83 434 418 A 4 PHE HA A 4 PHE HBx 1.0 . 2.80 435 419 A 4 PHE HA A 4 PHE HBy 1.0 . 2.80 436 420 A 5 ASP HBx A 5 ASP HA 1.0 . 2.94 437 421 A 5 ASP H A 5 ASP HBx 1.0 . 3.37 438 422 A 17 THR H A 17 THR HB 1.0 . 3.55 439 423 A 22 GLU H A 22 GLU HBx 1.0 . 3.70 440 424 A 26 ASP H A 26 ASP HBy 1.0 . 3.84 441 425 A 26 ASP H A 26 ASP HBx 1.0 . 3.84 442 426 A 28 VAL H A 28 VAL HB 1.0 . 4.06 443 427 A 32 GLU H A 32 GLU HBy 1.0 . 3.84 444 428 A 37 ASP HBx A 37 ASP H 1.0 . 4.13 445 429 A 46 THR H A 46 THR HB 1.0 . 3.08 446 430 A 47 VAL H A 47 VAL HB 1.0 . 2.90 447 431 A 49 ARG H A 49 ARG HBy 1.0 . 3.23 448 432 A 49 ARG H A 49 ARG HBx 1.0 . 3.05 449 433 A 50 PHE HA A 50 PHE HBy 1.0 . 2.90 450 434 A 50 PHE H A 50 PHE HBx 1.0 . 3.08 451 435 A 50 PHE H A 50 PHE HBy 1.0 . 3.41 452 436 A 52 ARG HBy A 52 ARG HA 1.0 . 2.94 453 437 A 54 SER H A 54 SER HBx 1.0 . 3.26 454 438 A 54 SER HA A 54 SER HBx 1.0 . 2.90 455 439 A 54 SER H A 54 SER HBy 1.0 . 3.26 456 440 A 54 SER HA A 54 SER HBy 1.0 . 2.90 457 441 A 56 GLU H A 56 GLU HBx 1.0 . 3.98 458 442 A 68 SER H A 68 SER HBy 1.0 . 3.01 459 443 A 68 SER H A 68 SER HBx 1.0 . 3.01 460 444 A 70 THR H A 70 THR HB 1.0 . 2.87 461 445 A 71 VAL HA A 71 VAL HB 1.0 . 2.80 462 446 A 81 ASP H A 81 ASP HA 1.0 . 2.94 463 447 A 81 ASP HA A 81 ASP HBy 1.0 . 2.94 464 448 A 81 ASP H A 81 ASP HBx 1.0 . 3.34 465 449 A 81 ASP HA A 81 ASP HBx 1.0 . 2.94 466 450 A 85 THR H A 85 THR HB 1.0 . 3.37 467 451 A 86 VAL H A 86 VAL HB 1.0 . 3.19 468 452 A 86 VAL HA A 86 VAL HB 1.0 . 2.94 469 453 A 92 ARG H A 92 ARG HBy 1.0 . 3.70 470 454 A 92 ARG H A 92 ARG HBx 1.0 . 3.37 471 455 A 97 GLU H A 97 GLU HBx 1.0 . 3.44 472 456 A 97 GLU H A 97 GLU HBy 1.0 . 3.44 473 457 A 98 ARG H A 98 ARG HBy 1.0 . 3.30 474 458 A 98 ARG H A 98 ARG HBx 1.0 . 3.34 475 459 A 99 GLN H A 99 GLN HBy 1.0 . 3.16 476 460 A 99 GLN HA A 99 GLN HBy 1.0 . 3.01 477 461 A 99 GLN H A 99 GLN HBx 1.0 . 3.16 478 462 A 99 GLN HA A 99 GLN HBx 1.0 . 3.01 479 463 A 100 THR HB A 100 THR HA 1.0 . 3.41 480 464 A 101 VAL HB A 101 VAL HA 1.0 . 3.91 481 465 A 101 VAL HB A 101 VAL H 1.0 . 4.71 482 466 A 103 VAL HB A 103 VAL HA 1.0 . 3.44 483 467 A 106 THR H A 106 THR HB 1.0 . 4.76 484 468 A 107 VAL HB A 107 VAL H 1.0 . 4.34 485 469 A 107 VAL HB A 107 VAL HA 1.0 . 3.91 486 470 A 108 GLU H A 108 GLU HBy 1.0 . 4.62 487 471 A 109 MET H A 109 MET HBy 1.0 . 5.46 488 472 A 5 ASP H A 4 PHE HA 1.0 . 2.90 489 473 A 6 HIS H A 5 ASP HA 1.0 . 2.69 490 474 A 9 LEU H A 8 ASN HA 1.0 . 2.87 491 475 A 9 LEU H A 8 ASN HBx 1.0 . 3.62 492 476 A 9 LEU H A 8 ASN HBy 1.0 . 3.62 493 477 A 11 LEU H A 10 SER HA 1.0 . 3.12 494 478 A 11 LEU H A 10 SER HBx 1.0 . 4.56 495 479 A 11 LEU H A 10 SER HBy 1.0 . 4.56 496 480 A 25 TYR H A 24 ARG HBx 1.0 . 4.16 497 481 A 25 TYR H A 24 ARG HBy 1.0 . 4.16 498 482 A 27 ILE H A 26 ASP HA 1.0 . 3.01 499 483 A 27 ILE H A 26 ASP HBx 1.0 . 3.80 500 484 A 28 VAL H A 27 ILE HA 1.0 . 3.48 501 485 A 32 GLU H A 31 THR HA 1.0 . 3.08 502 486 A 39 GLU H A 38 LEU HBy 1.0 . 5.06 503 487 A 40 GLY H A 39 GLU HBy 1.0 . 4.20 504 488 A 40 GLY H A 39 GLU HBx 1.0 . 4.63 505 489 A 45 LEU H A 44 VAL HB 1.0 . 3.34 506 490 A 46 THR H A 45 LEU HBx 1.0 . 4.06 507 491 A 47 VAL H A 46 THR HB 1.0 . 3.23 508 492 A 48 PHE H A 47 VAL HB 1.0 . 3.37 509 493 A 50 PHE H A 49 ARG HBy 1.0 . 4.02 510 494 A 50 PHE H A 49 ARG HBx 1.0 . 4.70 511 495 A 51 ALA H A 50 PHE HBx 1.0 . 3.41 512 496 A 51 ALA H A 50 PHE HBy 1.0 . 3.70 513 497 A 55 TYR H A 54 SER HBy 1.0 . 4.24 514 498 A 57 VAL H A 56 GLU HBx 1.0 . 4.13 515 499 A 63 GLU H A 62 THR HB 1.0 . 4.24 516 500 A 67 GLY H A 66 GLU HBy 1.0 . 3.77 517 501 A 67 GLY H A 66 GLU HBx 1.0 . 3.77 518 502 A 68 SER H A 67 GLY HAx 1.0 . 3.01 519 503 A 69 HIS H A 68 SER HBy 1.0 . 3.91 520 504 A 69 HIS H A 68 SER HBx 1.0 . 3.91 521 505 A 72 ASP H A 71 VAL HB 1.0 . 3.26 522 506 A 80 GLY H A 79 PRO HA 1.0 . 2.90 523 507 A 82 LEU H A 81 ASP HBy 1.0 . 3.98 524 508 A 86 VAL H A 85 THR HA 1.0 . 2.69 525 509 A 85 THR HB A 86 VAL H 1.0 . 3.77 526 510 A 87 GLU H A 86 VAL HB 1.0 . 4.67 527 511 A 90 MET H A 89 ARG HBx 1.0 . 4.18 528 511 A 90 MET H A 89 ARG HBy 1.0 . 4.18 529 512 A 93 VAL H A 92 ARG HA 1.0 . 2.80 530 513 A 93 VAL H A 92 ARG HBy 1.0 . 4.20 531 514 A 97 GLU H A 96 GLU HBy 1.0 . 4.20 532 515 A 98 ARG H A 97 GLU HBx 1.0 . 4.67 533 516 A 99 GLN H A 98 ARG HA 1.0 . 2.65 534 517 A 100 THR H A 99 GLN HBx 1.0 . 4.81 535 518 A 101 VAL H A 100 THR HA 1.0 . 3.21 536 519 A 100 THR HB A 101 VAL H 1.0 . 4.58 537 520 A 102 SER H A 101 VAL HA 1.0 . 3.26 538 521 A 103 VAL H A 102 SER HA 1.0 . 3.12 539 522 A 105 VAL H A 104 PRO HA 1.0 . 3.12 540 523 A 105 VAL H A 104 PRO HBx 1.0 . 4.52 541 524 A 105 VAL H A 104 PRO HBy 1.0 . 4.52 542 525 A 106 THR H A 105 VAL HA 1.0 . 3.50 543 526 A 107 VAL H A 106 THR HA 1.0 . 3.26 544 527 A 107 VAL H A 106 THR HB 1.0 . 4.24 545 528 A 108 GLU H A 107 VAL HA 1.0 . 3.73 546 529 A 109 MET H A 108 GLU HA 1.0 . 3.91 547 530 A 45 LEU HBx A 42 ARG HA 1.0 . 4.49 548 531 A 47 VAL H A 44 VAL HA 1.0 . 4.38 549 532 A 47 VAL HB A 44 VAL HA 1.0 . 3.55 550 533 A 45 LEU HA A 48 PHE HBx 1.0 . 5.48 551 533 A 48 PHE HBy A 45 LEU HA 1.0 . 5.48 552 534 A 49 ARG HBy A 46 THR HA 1.0 . 3.66 553 535 A 49 ARG HBx A 46 THR HA 1.0 . 3.62 554 536 A 25 TYR H A 22 GLU HA 1.0 . 4.45 555 537 A 37 ASP HA A 10 SER HA 1.0 . 3.59 556 538 A 39 GLU HA A 8 ASN HA 1.0 . 3.80 557 539 A 49 ARG H A 46 THR HA 1.0 . 3.80 558 540 A 51 ALA H A 49 ARG HA 1.0 . 4.34 559 541 A 57 VAL HA A 75 HIS HA 1.0 . 4.02 560 542 A 20 TYR HA A 62 THR HA 1.0 . 3.55 561 543 A 70 THR HA A 92 ARG HA 1.0 . 3.41 562 544 A 74 GLU HA A 75 HIS H 1.0 . 3.52 563 545 A 83 ALA HA A 84 VAL HB 1.0 . 5.24 564 546 A 38 LEU HA A 84 VAL HA 1.0 . 4.96 565 547 A 23 GLU H A 23 GLU HBy 1.0 . 3.52 566 548 A 47 VAL H A 43 GLY HAx 1.0 . 5.48 567 548 A 47 VAL H A 43 GLY HAy 1.0 . 5.48 568 549 A 88 PRO HA A 87 GLU HA 1.0 . 3.41 569 550 A 13 GLU HA A 36 VAL H 1.0 . 4.31 570 551 A 37 ASP HA A 11 LEU H 1.0 . 3.73 571 552 A 6 HIS HA A 41 PRO HA 1.0 . 3.98 572 553 A 15 GLU HA A 33 THR HA 1.0 . 4.31 573 554 A 24 ARG H A 23 GLU HBy 1.0 . 4.74 574 555 A 30 GLN HA A 93 VAL HA 1.0 . 3.77 575 556 A 86 VAL HB A 89 ARG HA 1.0 . 4.34 576 557 A 11 LEU H A 11 LEU HG 1.0 . 4.67 577 558 A 15 GLU H A 15 GLU HGx 1.0 . 4.13 578 559 A 22 GLU H A 22 GLU HGx 1.0 . 3.77 579 560 A 23 GLU H A 23 GLU HGy 1.0 . 3.55 580 561 A 23 GLU HA A 23 GLU HGy 1.0 . 3.77 581 562 A 23 GLU HA A 23 GLU HGx 1.0 . 3.77 582 563 A 32 GLU H A 32 GLU HGy 1.0 . 3.70 583 564 A 32 GLU HA A 32 GLU HGy 1.0 . 3.73 584 565 A 32 GLU HA A 32 GLU HGx 1.0 . 3.73 585 566 A 35 GLN H A 35 GLN HGx 1.0 . 5.46 586 567 A 35 GLN H A 35 GLN HGy 1.0 . 5.46 587 568 A 39 GLU HA A 39 GLU HGx 1.0 . 4.16 588 569 A 39 GLU HA A 39 GLU HGy 1.0 . 4.16 589 570 A 42 ARG HA A 42 ARG HDx 1.0 . 6.88 590 570 A 42 ARG HA A 42 ARG HDy 1.0 . 6.88 591 571 A 45 LEU HBx A 45 LEU HG 1.0 . 2.83 592 572 A 49 ARG HA A 49 ARG HGy 1.0 . 3.88 593 573 A 49 ARG HA A 49 ARG HGx 1.0 . 3.88 594 574 A 52 ARG HA A 53 PRO HDx 1.0 . 3.88 595 575 A 52 ARG HA A 53 PRO HDy 1.0 . 3.88 596 576 A 52 ARG HA A 52 ARG HGx 1.0 . 4.09 597 577 A 52 ARG HA A 52 ARG HGy 1.0 . 4.09 598 578 A 52 ARG H A 52 ARG HDx 1.0 . 6.88 599 578 A 52 ARG H A 52 ARG HDy 1.0 . 6.88 600 579 A 52 ARG HA A 52 ARG HDx 1.0 . 6.52 601 579 A 52 ARG HA A 52 ARG HDy 1.0 . 6.52 602 580 A 63 GLU HA A 63 GLU HGx 1.0 . 3.41 603 581 A 63 GLU HBy A 63 GLU HGx 1.0 . 2.76 604 582 A 63 GLU HA A 63 GLU HGy 1.0 . 3.66 605 583 A 63 GLU HBy A 63 GLU HGy 1.0 . 2.40 606 584 A 63 GLU HBx A 63 GLU HGy 1.0 . 2.83 607 585 A 89 ARG HA A 89 ARG HGx 1.0 . 3.80 608 586 A 89 ARG HA A 89 ARG HGy 1.0 . 3.80 609 587 A 89 ARG H A 89 ARG HGy 1.0 . 3.88 610 588 A 89 ARG H A 89 ARG HDx 1.0 . 6.00 611 589 A 89 ARG HA A 89 ARG HDx 1.0 . 4.42 612 590 A 89 ARG H A 89 ARG HDy 1.0 . 6.00 613 591 A 89 ARG HA A 89 ARG HDy 1.0 . 4.42 614 592 A 92 ARG HA A 92 ARG HDx 1.0 . 6.20 615 592 A 92 ARG HA A 92 ARG HDy 1.0 . 6.20 616 593 A 94 GLN HA A 94 GLN HGx 1.0 . 4.02 617 594 A 94 GLN HA A 94 GLN HGy 1.0 . 4.02 618 595 A 95 LEU H A 95 LEU HG 1.0 . 6.00 619 596 A 98 ARG HA A 98 ARG HGx 1.0 . 4.16 620 597 A 98 ARG HA A 98 ARG HGy 1.0 . 4.16 621 598 A 98 ARG H A 98 ARG HDx 1.0 . 5.98 622 598 A 98 ARG H A 98 ARG HDy 1.0 . 5.98 623 599 A 98 ARG HA A 98 ARG HDx 1.0 . 5.98 624 599 A 98 ARG HA A 98 ARG HDy 1.0 . 5.98 625 600 A 110 ILE H A 110 ILE HG1y 1.0 . 7.80 626 601 A 112 LEU HG A 112 LEU HBx 1.0 . 3.73 627 602 A 112 LEU HG A 112 LEU HBy 1.0 . 3.73 628 603 A 30 GLN H A 29 GLU HGx 1.0 . 5.48 629 603 A 30 GLN H A 29 GLU HGy 1.0 . 5.48 630 604 A 33 THR H A 32 GLU HGx 1.0 . 4.88 631 605 A 36 VAL H A 35 GLN HGy 1.0 . 4.85 632 606 A 40 GLY H A 39 GLU HGx 1.0 . 4.52 633 607 A 40 GLY H A 39 GLU HGy 1.0 . 4.52 634 608 A 91 ALA H A 90 MET HGx 1.0 . 6.88 635 608 A 91 ALA H A 90 MET HGy 1.0 . 6.88 636 609 A 98 ARG H A 97 GLU HGx 1.0 . 6.05 637 609 A 98 ARG H A 97 GLU HGy 1.0 . 6.05 638 610 A 99 GLN H A 98 ARG HDx 1.0 . 6.88 639 610 A 99 GLN H A 98 ARG HDy 1.0 . 6.88 640 611 A 17 THR HB A 58 PHE HBx 1.0 . 5.84 641 611 A 17 THR HB A 58 PHE HBy 1.0 . 5.84 642 612 A 20 TYR HE% A 22 GLU HGy 1.0 . 8.13 643 613 A 21 ASP HA A 22 GLU HGy 1.0 . 5.96 644 614 A 20 TYR HE% A 22 GLU HGx 1.0 . 8.13 645 615 A 21 ASP HA A 22 GLU HGx 1.0 . 5.96 646 616 A 37 ASP HBy A 85 THR HB 1.0 . 4.96 647 617 A 8 ASN HD2x A 39 GLU HGx 1.0 . 6.00 648 618 A 49 ARG HA A 48 PHE HD% 1.0 . 8.13 649 619 A 46 THR HA A 49 ARG HGy 1.0 . 4.99 650 620 A 46 THR HA A 49 ARG HGx 1.0 . 4.99 651 621 A 53 PRO HA A 55 TYR HD% 1.0 . 7.52 652 622 A 37 ASP HBx A 85 THR HB 1.0 . 4.34 653 623 A 89 ARG HBx A 90 MET HGx 1.0 . 7.54 654 623 A 89 ARG HBy A 90 MET HGx 1.0 . 7.54 655 623 A 90 MET HGy A 89 ARG HBx 1.0 . 7.54 656 623 A 90 MET HGy A 89 ARG HBy 1.0 . 7.54 657 624 A 72 ASP HA A 90 MET HGx 1.0 . 4.79 658 624 A 72 ASP HA A 90 MET HGy 1.0 . 4.79 659 625 A 73 VAL H A 90 MET HGx 1.0 . 6.67 660 625 A 73 VAL H A 90 MET HGy 1.0 . 6.67 661 626 A 25 TYR HD% A 97 GLU HGx 1.0 . 9.01 662 626 A 97 GLU HGy A 25 TYR HD% 1.0 . 9.01 663 627 A 98 ARG HA A 99 GLN HGx 1.0 . 5.98 664 627 A 99 GLN HGy A 98 ARG HA 1.0 . 5.98 665 628 A 98 ARG HBy A 99 GLN HGx 1.0 . 6.88 666 628 A 98 ARG HBy A 99 GLN HGy 1.0 . 6.88 667 629 A 24 ARG H A 24 ARG HDx 1.0 . 5.84 668 629 A 24 ARG H A 24 ARG HDy 1.0 . 5.84 669 630 A 103 VAL HA A 104 PRO HDx 1.0 . 3.41 670 631 A 103 VAL HA A 104 PRO HDy 1.0 . 3.41 671 632 A 94 GLN H A 29 GLU HBx 1.0 . 6.88 672 632 A 94 GLN H A 29 GLU HBy 1.0 . 6.88 673 633 A 28 VAL HA A 94 GLN HBx 1.0 . 6.88 674 633 A 94 GLN HBy A 28 VAL HA 1.0 . 6.88 675 634 A 14 LEU H A 33 THR HB 1.0 . 6.00 676 635 A 59 VAL HB A 18 VAL HA 1.0 . 5.78 677 636 A 28 VAL HB A 94 GLN HBx 1.0 . 6.88 678 636 A 28 VAL HB A 94 GLN HBy 1.0 . 6.88 679 637 A 9 LEU HA A 9 LEU HDy% 1.0 . 7.02 680 638 A 9 LEU H A 9 LEU HDx% 1.0 . 5.40 681 639 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.74 682 640 A 11 LEU HDx% A 11 LEU HA 1.0 . 5.47 683 641 A 11 LEU H A 11 LEU HDy% 1.0 . 5.54 684 642 A 11 LEU HDy% A 11 LEU HA 1.0 . 3.60 685 643 A 14 LEU H A 14 LEU HDx% 1.0 . 4.86 686 644 A 14 LEU HA A 14 LEU HDx% 1.0 . 5.15 687 645 A 14 LEU HBx A 14 LEU HDx% 1.0 . 3.42 688 646 A 14 LEU HBy A 14 LEU HDx% 1.0 . 3.67 689 647 A 14 LEU H A 14 LEU HDy% 1.0 . 5.29 690 648 A 14 LEU HA A 14 LEU HDy% 1.0 . 3.81 691 649 A 16 LEU HA A 16 LEU HDx% 1.0 . 3.92 692 650 A 19 LEU H A 19 LEU HDx% 1.0 . 4.93 693 651 A 19 LEU HA A 19 LEU HDy% 1.0 . 3.71 694 652 A 28 VAL H A 28 VAL HGx% 1.0 . 4.64 695 653 A 34 VAL H A 34 VAL HGy% 1.0 . 4.21 696 654 A 38 LEU H A 38 LEU HDy% 1.0 . 5.47 697 655 A 38 LEU HA A 38 LEU HDy% 1.0 . 3.92 698 656 A 38 LEU H A 38 LEU HDx% 1.0 . 5.15 699 657 A 38 LEU HA A 38 LEU HDx% 1.0 . 7.02 700 658 A 45 LEU HA A 45 LEU HDy% 1.0 . 4.25 701 659 A 45 LEU HA A 45 LEU HDx% 1.0 . 5.76 702 660 A 45 LEU HBx A 45 LEU HDx% 1.0 . 3.64 703 661 A 46 THR HG2% A 46 THR HA 1.0 . 3.42 704 662 A 47 VAL HA A 47 VAL HGy% 1.0 . 3.53 705 663 A 51 ALA H A 51 ALA HB% 1.0 . 3.42 706 664 A 61 LEU HA A 61 LEU HDx% 1.0 . 4.97 707 665 A 61 LEU H A 61 LEU HDy% 1.0 . 7.02 708 666 A 61 LEU HA A 61 LEU HDy% 1.0 . 3.78 709 667 A 62 THR H A 62 THR HG2% 1.0 . 4.28 710 668 A 71 VAL H A 71 VAL HGx% 1.0 . 4.07 711 669 A 71 VAL H A 71 VAL HGy% 1.0 . 4.03 712 670 A 82 LEU HA A 82 LEU HDx% 1.0 . 6.16 713 671 A 82 LEU HA A 82 LEU HDy% 1.0 . 4.17 714 672 A 83 ALA H A 83 ALA HB% 1.0 . 3.67 715 673 A 84 VAL H A 84 VAL HGy% 1.0 . 4.28 716 674 A 86 VAL H A 86 VAL HGx% 1.0 . 4.82 717 675 A 86 VAL HGy% A 86 VAL H 1.0 . 3.85 718 676 A 90 MET H A 90 MET HE% 1.0 . 7.02 719 677 A 90 MET HA A 90 MET HE% 1.0 . 5.51 720 678 A 95 LEU H A 95 LEU HDy% 1.0 . 4.79 721 679 A 95 LEU HA A 95 LEU HDy% 1.0 . 3.92 722 680 A 95 LEU H A 95 LEU HDx% 1.0 . 5.18 723 681 A 95 LEU HA A 95 LEU HDx% 1.0 . 6.55 724 682 A 101 VAL H A 101 VAL HGy% 1.0 . 4.86 725 683 A 110 ILE HG2% A 110 ILE HD1% 1.0 . 5.77 726 684 A 110 ILE H A 110 ILE HD1% 1.0 . 9.13 727 685 A 15 GLU H A 14 LEU HDx% 1.0 . 5.76 728 686 A 15 GLU H A 14 LEU HDy% 1.0 . 3.42 729 687 A 18 VAL H A 17 THR HG2% 1.0 . 3.92 730 688 A 19 LEU H A 18 VAL HGy% 1.0 . 5.65 731 689 A 19 LEU H A 18 VAL HGx% 1.0 . 4.54 732 690 A 32 GLU H A 31 THR HG2% 1.0 . 4.75 733 691 A 35 GLN H A 34 VAL HGx% 1.0 . 4.64 734 692 A 35 GLN H A 34 VAL HGy% 1.0 . 5.58 735 693 A 37 ASP H A 36 VAL HGy% 1.0 . 5.00 736 694 A 45 LEU H A 44 VAL HGy% 1.0 . 6.01 737 695 A 45 LEU H A 44 VAL HGx% 1.0 . 6.98 738 696 A 48 PHE H A 47 VAL HGx% 1.0 . 5.33 739 697 A 63 GLU H A 62 THR HG2% 1.0 . 4.57 740 698 A 71 VAL H A 70 THR HG2% 1.0 . 4.32 741 699 A 72 ASP H A 71 VAL HGy% 1.0 . 4.43 742 700 A 73 VAL HGy% A 74 GLU H 1.0 . 4.71 743 701 A 73 VAL HGx% A 74 GLU H 1.0 . 4.03 744 702 A 84 VAL H A 83 ALA HB% 1.0 . 4.07 745 703 A 85 THR H A 84 VAL HGy% 1.0 . 5.36 746 704 A 86 VAL H A 85 THR HG2% 1.0 . 4.03 747 705 A 87 GLU H A 86 VAL HGx% 1.0 . 4.28 748 706 A 87 GLU H A 86 VAL HGy% 1.0 . 5.29 749 707 A 91 ALA H A 90 MET HE% 1.0 . 6.80 750 708 A 96 GLU H A 95 LEU HDy% 1.0 . 4.64 751 709 A 96 GLU H A 95 LEU HDx% 1.0 . 6.41 752 710 A 100 THR HG2% A 101 VAL H 1.0 . 5.89 753 711 A 106 THR H A 105 VAL HGy% 1.0 . 7.67 754 712 A 8 ASN HA A 45 LEU HDx% 1.0 . 5.87 755 713 A 11 LEU HDy% A 55 TYR HE% 1.0 . 8.79 756 714 A 38 LEU H A 11 LEU HDx% 1.0 . 5.98 757 715 A 36 VAL HB A 11 LEU HDx% 1.0 . 4.68 758 716 A 11 LEU HDx% A 78 PHE HZ 1.0 . 5.58 759 717 A 11 LEU HDx% A 78 PHE HE% 1.0 . 7.14 760 718 A 11 LEU HDx% A 78 PHE HD% 1.0 . 8.72 761 719 A 11 LEU HDx% A 48 PHE HE% 1.0 . 8.25 762 720 A 14 LEU HDx% A 78 PHE HZ 1.0 . 4.82 763 721 A 14 LEU HDx% A 78 PHE HE% 1.0 . 8.25 764 722 A 14 LEU HDx% A 78 PHE HD% 1.0 . 8.72 765 723 A 14 LEU HDy% A 78 PHE HD% 1.0 . 9.15 766 724 A 33 THR HG2% A 15 GLU HGx 1.0 . 4.79 767 725 A 58 PHE H A 16 LEU HDx% 1.0 . 5.36 768 726 A 58 PHE HA A 16 LEU HDx% 1.0 . 4.57 769 727 A 16 LEU HDx% A 57 VAL HB 1.0 . 4.64 770 728 A 60 ASP HA A 19 LEU HDx% 1.0 . 5.62 771 729 A 61 LEU H A 19 LEU HDx% 1.0 . 6.08 772 730 A 27 ILE HG2% A 30 GLN HBy 1.0 . 4.46 773 731 A 18 VAL HB A 27 ILE HD1% 1.0 . 4.00 774 732 A 29 GLU HA A 27 ILE HG2% 1.0 . 5.40 775 733 A 18 VAL HA A 27 ILE HD1% 1.0 . 6.23 776 734 A 30 GLN HA A 27 ILE HG2% 1.0 . 5.54 777 735 A 27 ILE HD1% A 26 ASP HA 1.0 . 7.02 778 736 A 96 GLU H A 28 VAL HGy% 1.0 . 5.33 779 737 A 28 VAL HGx% A 29 GLU HBx 1.0 . 5.38 780 737 A 28 VAL HGx% A 29 GLU HBy 1.0 . 5.38 781 738 A 28 VAL HGx% A 29 GLU HGx 1.0 . 5.27 782 738 A 29 GLU HGy A 28 VAL HGx% 1.0 . 5.27 783 739 A 31 THR HB A 16 LEU HDy% 1.0 . 4.79 784 740 A 91 ALA HA A 31 THR HG2% 1.0 . 4.93 785 741 A 33 THR HG2% A 15 GLU HGy 1.0 . 4.79 786 742 A 15 GLU HA A 33 THR HG2% 1.0 . 4.57 787 743 A 16 LEU H A 33 THR HG2% 1.0 . 5.07 788 744 A 34 VAL HGy% A 57 VAL HB 1.0 . 5.07 789 745 A 34 VAL HGx% A 35 GLN HBx 1.0 . 5.96 790 745 A 34 VAL HGx% A 35 GLN HBy 1.0 . 5.96 791 746 A 34 VAL HGx% A 31 THR HG2% 1.0 . 6.45 792 747 A 31 THR HG2% A 34 VAL HGy% 1.0 . 7.61 793 748 A 14 LEU HBy A 34 VAL HGy% 1.0 . 5.51 794 749 A 35 GLN HA A 34 VAL HGx% 1.0 . 5.51 795 750 A 86 VAL HA A 34 VAL HGx% 1.0 . 6.05 796 751 A 33 THR HB A 34 VAL HGy% 1.0 . 6.01 797 752 A 33 THR HA A 34 VAL HGy% 1.0 . 5.69 798 753 A 36 VAL HGx% A 38 LEU HDx% 1.0 . 7.07 799 754 A 36 VAL HGx% A 38 LEU HDy% 1.0 . 6.38 800 755 A 36 VAL HGx% A 84 VAL HGy% 1.0 . 7.32 801 756 A 36 VAL HGx% A 14 LEU HDx% 1.0 . 6.67 802 757 A 36 VAL HGx% A 11 LEU HDx% 1.0 . 6.38 803 758 A 38 LEU HA A 36 VAL HGx% 1.0 . 6.62 804 759 A 36 VAL HGx% A 78 PHE HE% 1.0 . 8.72 805 760 A 36 VAL HGx% A 78 PHE HZ 1.0 . 5.94 806 761 A 38 LEU H A 36 VAL HGx% 1.0 . 6.70 807 762 A 85 THR H A 38 LEU HDy% 1.0 . 5.72 808 763 A 38 LEU HDy% A 78 PHE HD% 1.0 . 9.11 809 764 A 38 LEU HDy% A 78 PHE HE% 1.0 . 8.11 810 765 A 38 LEU HDx% A 48 PHE HE% 1.0 . 8.04 811 766 A 48 PHE HD% A 38 LEU HDx% 1.0 . 9.00 812 767 A 38 LEU HDx% A 78 PHE HD% 1.0 . 7.35 813 768 A 38 LEU HDx% A 78 PHE HE% 1.0 . 9.15 814 769 A 38 LEU HDy% A 78 PHE HZ 1.0 . 7.02 815 770 A 84 VAL HA A 38 LEU HDy% 1.0 . 4.89 816 771 A 38 LEU HDy% A 11 LEU HDx% 1.0 . 6.27 817 772 A 11 LEU HDx% A 38 LEU HDx% 1.0 . 6.89 818 773 A 38 LEU HDy% A 84 VAL HGy% 1.0 . 5.81 819 774 A 38 LEU HDy% A 84 VAL HGx% 1.0 . 5.88 820 775 A 39 GLU HBy A 83 ALA HB% 1.0 . 4.39 821 776 A 83 ALA HB% A 39 GLU HGx 1.0 . 6.23 822 777 A 83 ALA HB% A 39 GLU HGy 1.0 . 6.23 823 778 A 44 VAL HGy% A 81 ASP HBx 1.0 . 5.94 824 779 A 44 VAL HGx% A 81 ASP HBx 1.0 . 6.34 825 780 A 47 VAL H A 44 VAL HGy% 1.0 . 6.91 826 781 A 9 LEU H A 45 LEU HDy% 1.0 . 5.47 827 782 A 9 LEU H A 45 LEU HDx% 1.0 . 5.22 828 783 A 42 ARG H A 45 LEU HDx% 1.0 . 7.02 829 784 A 39 GLU HA A 45 LEU HDy% 1.0 . 6.33 830 785 A 42 ARG HA A 45 LEU HDy% 1.0 . 5.58 831 786 A 42 ARG HA A 45 LEU HDx% 1.0 . 4.68 832 787 A 45 LEU HDx% A 7 GLY HAx 1.0 . 5.94 833 788 A 45 LEU HDx% A 7 GLY HAy 1.0 . 5.94 834 789 A 39 GLU HA A 45 LEU HDx% 1.0 . 5.90 835 790 A 45 LEU HDy% A 9 LEU HBy 1.0 . 5.97 836 791 A 45 LEU HDy% A 38 LEU HDx% 1.0 . 6.24 837 792 A 49 ARG H A 46 THR HG2% 1.0 . 6.05 838 793 A 47 VAL HA A 46 THR HG2% 1.0 . 4.57 839 794 A 47 VAL HGy% A 46 THR HB 1.0 . 5.72 840 795 A 9 LEU HDy% A 49 ARG HBy 1.0 . 5.65 841 796 A 9 LEU HDy% A 49 ARG HBx 1.0 . 4.79 842 797 A 9 LEU HDx% A 49 ARG HDx 1.0 . 5.78 843 797 A 9 LEU HDx% A 49 ARG HDy 1.0 . 5.78 844 798 A 51 ALA HB% A 50 PHE HA 1.0 . 6.59 845 799 A 48 PHE HA A 51 ALA HB% 1.0 . 4.14 846 800 A 51 ALA HB% A 48 PHE HBx 1.0 . 6.93 847 800 A 48 PHE HBy A 51 ALA HB% 1.0 . 6.93 848 801 A 49 ARG H A 51 ALA HB% 1.0 . 6.48 849 802 A 36 VAL HGx% A 57 VAL HGx% 1.0 . 8.04 850 803 A 78 PHE HE% A 57 VAL HGy% 1.0 . 8.47 851 804 A 59 VAL HA A 61 LEU HDx% 1.0 . 5.33 852 805 A 59 VAL HB A 73 VAL HGy% 1.0 . 4.86 853 806 A 59 VAL HGx% A 73 VAL HA 1.0 . 4.21 854 807 A 18 VAL HA A 59 VAL HGy% 1.0 . 4.75 855 808 A 71 VAL H A 61 LEU HDy% 1.0 . 4.97 856 809 A 64 ALA H A 61 LEU HDy% 1.0 . 6.41 857 810 A 93 VAL HB A 61 LEU HDx% 1.0 . 4.14 858 811 A 59 VAL HB A 61 LEU HDx% 1.0 . 4.93 859 812 A 71 VAL HGx% A 61 LEU HDy% 1.0 . 5.95 860 813 A 61 LEU HA A 64 ALA HB% 1.0 . 4.50 861 814 A 63 GLU H A 64 ALA HB% 1.0 . 5.15 862 815 A 70 THR HA A 71 VAL HGx% 1.0 . 6.12 863 816 A 70 THR HG2% A 90 MET HBx 1.0 . 5.45 864 816 A 70 THR HG2% A 90 MET HBy 1.0 . 5.45 865 817 A 70 THR HG2% A 90 MET HGx 1.0 . 5.74 866 817 A 90 MET HGy A 70 THR HG2% 1.0 . 5.74 867 818 A 91 ALA H A 70 THR HG2% 1.0 . 5.72 868 819 A 71 VAL HB A 61 LEU HDy% 1.0 . 4.61 869 820 A 71 VAL HGy% A 61 LEU HDy% 1.0 . 5.45 870 821 A 70 THR HA A 71 VAL HGy% 1.0 . 5.00 871 822 A 44 VAL HGy% A 81 ASP HBy 1.0 . 5.94 872 823 A 44 VAL HGx% A 81 ASP HBy 1.0 . 6.34 873 824 A 82 LEU HDx% A 38 LEU HDx% 1.0 . 6.67 874 825 A 44 VAL HB A 82 LEU HDy% 1.0 . 4.79 875 826 A 82 LEU HDy% A 79 PRO HDx 1.0 . 7.51 876 826 A 82 LEU HDy% A 79 PRO HDy 1.0 . 7.51 877 827 A 82 LEU HDy% A 40 GLY HAx 1.0 . 6.08 878 828 A 82 LEU HDy% A 40 GLY HAy 1.0 . 6.08 879 829 A 82 LEU HDx% A 79 PRO HGx 1.0 . 7.91 880 829 A 82 LEU HDx% A 79 PRO HGy 1.0 . 7.91 881 830 A 44 VAL HB A 82 LEU HDx% 1.0 . 5.80 882 831 A 84 VAL HGy% A 38 LEU HDx% 1.0 . 8.04 883 832 A 84 VAL HGy% A 38 LEU HBx 1.0 . 7.02 884 833 A 84 VAL HGy% A 83 ALA HB% 1.0 . 8.04 885 834 A 84 VAL HGy% A 38 LEU HBy 1.0 . 7.02 886 835 A 36 VAL HGx% A 84 VAL HGx% 1.0 . 5.81 887 836 A 84 VAL HGx% A 36 VAL HGy% 1.0 . 7.82 888 837 A 84 VAL HGy% A 78 PHE HBx 1.0 . 6.89 889 837 A 84 VAL HGy% A 78 PHE HBy 1.0 . 6.89 890 838 A 83 ALA HA A 84 VAL HGy% 1.0 . 5.18 891 839 A 38 LEU HA A 84 VAL HGy% 1.0 . 7.02 892 840 A 38 LEU HA A 84 VAL HGx% 1.0 . 7.02 893 841 A 84 VAL HGx% A 78 PHE HD% 1.0 . 9.15 894 842 A 84 VAL HGx% A 78 PHE HE% 1.0 . 9.15 895 843 A 84 VAL HGx% A 85 THR HA 1.0 . 6.62 896 844 A 34 VAL HGx% A 87 GLU HBx 1.0 . 5.34 897 844 A 87 GLU HBy A 34 VAL HGx% 1.0 . 5.34 898 845 A 34 VAL HB A 86 VAL HGx% 1.0 . 3.89 899 846 A 86 VAL HGy% A 89 ARG HA 1.0 . 4.61 900 847 A 86 VAL HGy% A 85 THR HA 1.0 . 4.93 901 848 A 87 GLU HA A 86 VAL HGx% 1.0 . 5.58 902 849 A 90 MET HE% A 70 THR HG2% 1.0 . 5.63 903 850 A 71 VAL HGx% A 90 MET HE% 1.0 . 6.71 904 851 A 71 VAL HA A 90 MET HE% 1.0 . 3.99 905 852 A 70 THR HB A 90 MET HE% 1.0 . 5.58 906 853 A 72 ASP H A 90 MET HE% 1.0 . 4.71 907 854 A 59 VAL HGx% A 91 ALA HB% 1.0 . 5.84 908 855 A 91 ALA HB% A 73 VAL HGy% 1.0 . 5.77 909 856 A 91 ALA HB% A 16 LEU HDy% 1.0 . 5.55 910 857 A 91 ALA HB% A 31 THR HG2% 1.0 . 5.84 911 858 A 31 THR HB A 91 ALA HB% 1.0 . 4.21 912 859 A 94 GLN HA A 93 VAL HGx% 1.0 . 5.08 913 860 A 30 GLN HA A 93 VAL HGy% 1.0 . 5.22 914 861 A 28 VAL HGy% A 94 GLN HGy 1.0 . 4.93 915 862 A 28 VAL HGx% A 94 GLN HBx 1.0 . 5.92 916 862 A 94 GLN HBy A 28 VAL HGx% 1.0 . 5.92 917 863 A 27 ILE HA A 95 LEU HDy% 1.0 . 4.64 918 864 A 20 TYR HD% A 95 LEU HDy% 1.0 . 9.15 919 865 A 20 TYR HE% A 95 LEU HDy% 1.0 . 9.15 920 866 A 27 ILE H A 95 LEU HDy% 1.0 . 6.87 921 867 A 26 ASP H A 95 LEU HDy% 1.0 . 7.02 922 868 A 25 TYR HD% A 95 LEU HDx% 1.0 . 9.15 923 869 A 20 TYR HD% A 95 LEU HDx% 1.0 . 8.46 924 870 A 95 LEU HDy% A 25 TYR HBy 1.0 . 6.87 925 871 A 95 LEU HDy% A 25 TYR HBx 1.0 . 6.87 926 872 A 27 ILE HG2% A 95 LEU HDy% 1.0 . 7.17 927 873 A 93 VAL HGx% A 95 LEU HDy% 1.0 . 6.09 928 874 A 27 ILE HG2% A 95 LEU HDx% 1.0 . 7.46 929 875 A 93 VAL HGx% A 95 LEU HDx% 1.0 . 6.85 930 876 A 16 LEU HDy% A 31 THR HG2% 1.0 . 6.45 931 877 A 18 VAL H A 27 ILE HD1% 1.0 . 7.02 932 878 A 51 ALA HB% A 47 VAL HGx% 1.0 . 6.13 933 879 A 36 VAL HGx% A 57 VAL HGy% 1.0 . 8.04 934 880 A 64 ALA HB% A 61 LEU HG 1.0 . 5.87 935 881 A 82 LEU HDy% A 38 LEU HDx% 1.0 . 8.04 936 882 A 38 LEU HDy% A 82 LEU HDx% 1.0 . 6.74 937 883 A 82 LEU HDx% A 84 VAL HGy% 1.0 . 8.04 938 884 A 28 VAL HGy% A 94 GLN HBx 1.0 . 7.29 939 884 A 94 GLN HBy A 28 VAL HGy% 1.0 . 7.29 940 885 A 19 LEU HDy% A 20 TYR HE% 1.0 . 9.15 941 886 A 55 TYR HD% A 14 LEU HDx% 1.0 . 8.54 942 887 A 73 VAL HGy% A 89 ARG HA 1.0 . 6.37 943 888 A 89 ARG HA A 86 VAL HGx% 1.0 . 5.94 944 889 A 84 VAL HGx% A 86 VAL HGx% 1.0 . 6.31 945 890 A 84 VAL HGx% A 86 VAL HGy% 1.0 . 6.78 946 891 A 36 VAL H A 14 LEU HDx% 1.0 . 7.02 947 892 A 19 LEU HA A 18 VAL HGx% 1.0 . 5.18 948 893 A 59 VAL H A 18 VAL HGy% 1.0 . 7.02 949 894 A 71 VAL HGy% A 61 LEU HDx% 1.0 . 6.17 950 895 A 82 LEU HDy% A 44 VAL HGx% 1.0 . 7.35 951 896 A 82 LEU HDy% A 44 VAL HGy% 1.0 . 8.04 952 897 A 39 GLU H A 83 ALA HB% 1.0 . 4.82 953 898 A 59 VAL HB A 18 VAL HGx% 1.0 . 5.29 954 899 A 16 LEU HDx% A 91 ALA HB% 1.0 . 5.91 955 900 A 93 VAL HB A 18 VAL HGx% 1.0 . 4.50 956 901 A 93 VAL HB A 27 ILE HG2% 1.0 . 6.59 957 902 A 18 VAL HGx% A 95 LEU HDx% 1.0 . 6.78 958 903 A 11 LEU HDy% A 38 LEU HDx% 1.0 . 7.17 959 904 A 45 LEU HA A 82 LEU HDx% 1.0 . 6.88 960 905 A 45 LEU HA A 82 LEU HDy% 1.0 . 6.77 961 906 A 82 LEU HA A 83 ALA HB% 1.0 . 5.33 962 907 A 39 GLU HBx A 83 ALA HB% 1.0 . 4.21 963 908 A 84 VAL HGx% A 38 LEU HDx% 1.0 . 8.04 964 909 A 27 ILE HG2% A 28 VAL HA 1.0 . 6.59 965 910 A 95 LEU HA A 28 VAL HGy% 1.0 . 6.95 966 911 A 36 VAL HGy% A 38 LEU HDx% 1.0 . 7.17 967 912 A 36 VAL HGx% A 11 LEU HDy% 1.0 . 6.53 968 913 A 36 VAL HGy% A 14 LEU HDx% 1.0 . 6.06 969 914 A 11 LEU HDx% A 14 LEU HDx% 1.0 . 6.06 970 915 A 38 LEU HDy% A 11 LEU HDy% 1.0 . 8.04 971 916 A 14 LEU HDy% A 11 LEU HBx 1.0 . 6.93 972 916 A 14 LEU HDy% A 11 LEU HBy 1.0 . 6.93 973 917 A 14 LEU HDx% A 11 LEU HBx 1.0 . 7.18 974 917 A 14 LEU HDx% A 11 LEU HBy 1.0 . 7.18 975 918 A 18 VAL HGx% A 95 LEU HDy% 1.0 . 6.67 976 919 A 36 VAL HA A 11 LEU HDx% 1.0 . 6.19 977 920 A 14 LEU HG A 36 VAL HGy% 1.0 . 6.55 978 921 A 14 LEU HG A 11 LEU HDy% 1.0 . 7.02 979 922 A 17 THR HG2% A 58 PHE HBx 1.0 . 6.85 980 922 A 58 PHE HBy A 17 THR HG2% 1.0 . 6.85 981 923 A 18 VAL HGy% A 61 LEU HG 1.0 . 7.02 982 924 A 19 LEU HA A 62 THR HG2% 1.0 . 5.72 983 925 A 33 THR HG2% A 32 GLU HBy 1.0 . 6.55 984 926 A 33 THR HG2% A 32 GLU HBx 1.0 . 6.55 985 927 A 28 VAL HGy% A 94 GLN HGx 1.0 . 4.93 986 928 A 59 VAL HA A 71 VAL HGy% 1.0 . 5.00 987 929 A 27 ILE HG2% A 30 GLN HBx 1.0 . 4.46 988 930 A 45 LEU HDy% A 9 LEU HBx 1.0 . 5.97 989 931 A 49 ARG H A 48 PHE HD% 1.0 . 7.44 990 932 A 20 TYR HD% A 22 GLU HA 1.0 . 7.62 991 933 A 22 GLU HA A 20 TYR HE% 1.0 . 6.01 992 934 A 26 ASP HA A 20 TYR HE% 1.0 . 6.77 993 935 A 25 TYR HE% A 97 GLU HGx 1.0 . 6.50 994 935 A 97 GLU HGy A 25 TYR HE% 1.0 . 6.50 995 936 A 25 TYR HE% A 24 ARG HDx 1.0 . 8.30 996 936 A 25 TYR HE% A 24 ARG HDy 1.0 . 8.30 997 937 A 25 TYR HE% A 24 ARG HA 1.0 . 6.30 998 938 A 97 GLU HA A 25 TYR HE% 1.0 . 7.67 999 939 A 97 GLU HA A 25 TYR HD% 1.0 . 6.15 1000 940 A 20 TYR HD% A 18 VAL HGx% 1.0 . 7.13 1001 941 A 20 TYR HD% A 27 ILE HD1% 1.0 . 9.15 1002 942 A 18 VAL HGx% A 20 TYR HE% 1.0 . 8.18 1003 943 A 27 ILE HD1% A 20 TYR HE% 1.0 . 7.14 1004 944 A 9 LEU HDy% A 48 PHE HD% 1.0 . 6.70 1005 945 A 9 LEU HDy% A 48 PHE HE% 1.0 . 7.24 1006 946 A 46 THR HG2% A 50 PHE HD% 1.0 . 6.66 1007 947 A 46 THR HG2% A 50 PHE HE% 1.0 . 6.88 1008 948 A 55 TYR HD% A 14 LEU HDy% 1.0 . 7.42 1009 949 A 14 LEU HDx% A 55 TYR HE% 1.0 . 6.52 1010 950 A 11 LEU HDx% A 55 TYR HE% 1.0 . 7.10 1011 951 A 84 VAL HGy% A 78 PHE HD% 1.0 . 7.46 1012 952 A 78 PHE HE% A 57 VAL HGx% 1.0 . 8.47 1013 953 A 11 LEU HDy% A 48 PHE HE% 1.0 . 7.03 1014 954 A 14 LEU HDy% A 55 TYR HE% 1.0 . 6.49 1015 955 A 11 LEU HDy% A 78 PHE HZ 1.0 . 6.55 1016 956 A 4 PHE H A 4 PHE HBy 1.0 . 3.18 1017 956 A 4 PHE H A 4 PHE HBx 1.0 . 3.18 1018 957 A 5 ASP H A 4 PHE HBy 1.0 . 3.85 1019 957 A 5 ASP H A 4 PHE HBx 1.0 . 3.85 1020 958 A 8 ASN H A 7 GLY HAx 1.0 . 2.71 1021 958 A 8 ASN H A 7 GLY HAy 1.0 . 2.71 1022 959 A 45 LEU HDx% A 7 GLY HAx 1.0 . 5.47 1023 959 A 45 LEU HDx% A 7 GLY HAy 1.0 . 5.47 1024 960 A 8 ASN H A 8 ASN HBy 1.0 . 3.61 1025 960 A 8 ASN H A 8 ASN HBx 1.0 . 3.61 1026 961 A 9 LEU H A 8 ASN HD2y 1.0 . 6.21 1027 961 A 9 LEU H A 8 ASN HD2x 1.0 . 6.21 1028 962 A 39 GLU HA A 8 ASN HD2y 1.0 . 6.57 1029 962 A 39 GLU HA A 8 ASN HD2x 1.0 . 6.57 1030 963 A 39 GLU HBx A 8 ASN HD2y 1.0 . 6.86 1031 963 A 39 GLU HBx A 8 ASN HD2x 1.0 . 6.86 1032 964 A 39 GLU HBy A 8 ASN HD2y 1.0 . 4.76 1033 964 A 39 GLU HBy A 8 ASN HD2x 1.0 . 4.76 1034 965 A 8 ASN HD2y A 39 GLU HGx 1.0 . 4.78 1035 965 A 8 ASN HD2y A 39 GLU HGy 1.0 . 4.78 1036 965 A 8 ASN HD2x A 39 GLU HGx 1.0 . 4.78 1037 965 A 8 ASN HD2x A 39 GLU HGy 1.0 . 4.78 1038 966 A 8 ASN HD2y A 39 GLU HGx 1.0 . 6.00 1039 967 A 9 LEU H A 9 LEU HBy 1.0 . 3.87 1040 967 A 9 LEU H A 9 LEU HBx 1.0 . 3.87 1041 968 A 11 LEU HDy% A 9 LEU HBy 1.0 . 5.59 1042 968 A 11 LEU HDy% A 9 LEU HBx 1.0 . 5.59 1043 969 A 38 LEU HDx% A 9 LEU HBy 1.0 . 5.67 1044 969 A 38 LEU HDx% A 9 LEU HBx 1.0 . 5.67 1045 970 A 45 LEU HDx% A 9 LEU HBy 1.0 . 6.68 1046 970 A 45 LEU HDx% A 9 LEU HBx 1.0 . 6.68 1047 971 A 45 LEU HDy% A 9 LEU HBy 1.0 . 5.42 1048 971 A 45 LEU HDy% A 9 LEU HBx 1.0 . 5.42 1049 972 A 10 SER H A 10 SER HBx 1.0 . 3.52 1050 972 A 10 SER H A 10 SER HBy 1.0 . 3.52 1051 973 A 11 LEU H A 10 SER HBx 1.0 . 4.24 1052 973 A 11 LEU H A 10 SER HBy 1.0 . 4.24 1053 974 A 13 GLU H A 13 GLU HBy 1.0 . 3.25 1054 974 A 13 GLU H A 13 GLU HBx 1.0 . 3.25 1055 975 A 13 GLU H A 13 GLU HGx 1.0 . 3.33 1056 975 A 13 GLU H A 13 GLU HGy 1.0 . 3.33 1057 976 A 33 THR HG2% A 13 GLU HBy 1.0 . 5.77 1058 976 A 33 THR HG2% A 13 GLU HBx 1.0 . 5.77 1059 977 A 14 LEU H A 13 GLU HGx 1.0 . 6.81 1060 977 A 14 LEU H A 13 GLU HGy 1.0 . 6.81 1061 978 A 14 LEU H A 57 VAL HGy% 1.0 . 8.35 1062 978 A 14 LEU H A 57 VAL HGx% 1.0 . 8.35 1063 979 A 14 LEU HA A 57 VAL HGy% 1.0 . 7.96 1064 979 A 14 LEU HA A 57 VAL HGx% 1.0 . 7.96 1065 980 A 14 LEU HBy A 57 VAL HGy% 1.0 . 5.72 1066 980 A 14 LEU HBy A 57 VAL HGx% 1.0 . 5.72 1067 981 A 14 LEU HBx A 57 VAL HGy% 1.0 . 5.98 1068 981 A 14 LEU HBx A 57 VAL HGx% 1.0 . 5.98 1069 982 A 14 LEU HG A 57 VAL HGy% 1.0 . 6.41 1070 982 A 14 LEU HG A 57 VAL HGx% 1.0 . 6.41 1071 983 A 15 GLU H A 15 GLU HGx 1.0 . 3.78 1072 983 A 15 GLU H A 15 GLU HGy 1.0 . 3.78 1073 984 A 15 GLU H A 57 VAL HGy% 1.0 . 8.17 1074 984 A 15 GLU H A 57 VAL HGx% 1.0 . 8.17 1075 985 A 15 GLU HA A 15 GLU HGx 1.0 . 3.89 1076 985 A 15 GLU HA A 15 GLU HGy 1.0 . 3.89 1077 986 A 15 GLU HA A 57 VAL HGy% 1.0 . 8.57 1078 986 A 15 GLU HA A 57 VAL HGx% 1.0 . 8.57 1079 987 A 16 LEU H A 15 GLU HGx 1.0 . 6.88 1080 987 A 16 LEU H A 15 GLU HGy 1.0 . 6.88 1081 988 A 16 LEU H A 16 LEU HBx 1.0 . 3.55 1082 988 A 16 LEU H A 16 LEU HBy 1.0 . 3.55 1083 989 A 16 LEU HA A 57 VAL HGy% 1.0 . 5.26 1084 989 A 16 LEU HA A 57 VAL HGx% 1.0 . 5.26 1085 990 A 16 LEU HDx% A 57 VAL HGy% 1.0 . 8.18 1086 990 A 16 LEU HDx% A 57 VAL HGx% 1.0 . 8.18 1087 991 A 17 THR H A 57 VAL HGy% 1.0 . 6.26 1088 991 A 17 THR H A 57 VAL HGx% 1.0 . 6.26 1089 992 A 18 VAL HGx% A 20 TYR HBx 1.0 . 6.17 1090 992 A 18 VAL HGx% A 20 TYR HBy 1.0 . 6.17 1091 993 A 19 LEU H A 19 LEU HBx 1.0 . 3.77 1092 993 A 19 LEU H A 19 LEU HBy 1.0 . 3.77 1093 994 A 21 ASP H A 21 ASP HBx 1.0 . 3.69 1094 994 A 21 ASP H A 21 ASP HBy 1.0 . 3.69 1095 995 A 21 ASP HA A 22 GLU HGy 1.0 . 5.23 1096 995 A 21 ASP HA A 22 GLU HGx 1.0 . 5.23 1097 996 A 22 GLU H A 22 GLU HGy 1.0 . 3.54 1098 996 A 22 GLU H A 22 GLU HGx 1.0 . 3.54 1099 997 A 23 GLU H A 22 GLU HGy 1.0 . 4.97 1100 997 A 23 GLU H A 22 GLU HGx 1.0 . 4.97 1101 998 A 23 GLU H A 23 GLU HBx 1.0 . 3.19 1102 998 A 23 GLU H A 23 GLU HBy 1.0 . 3.19 1103 999 A 23 GLU H A 23 GLU HGx 1.0 . 3.24 1104 999 A 23 GLU H A 23 GLU HGy 1.0 . 3.24 1105 1000 A 24 ARG H A 23 GLU HBx 1.0 . 4.17 1106 1000 A 24 ARG H A 23 GLU HBy 1.0 . 4.17 1107 1001 A 24 ARG H A 23 GLU HGx 1.0 . 6.88 1108 1001 A 24 ARG H A 23 GLU HGy 1.0 . 6.88 1109 1002 A 24 ARG H A 24 ARG HBx 1.0 . 3.42 1110 1002 A 24 ARG H A 24 ARG HBy 1.0 . 3.42 1111 1003 A 24 ARG H A 24 ARG HGy 1.0 . 5.11 1112 1003 A 24 ARG H A 24 ARG HGx 1.0 . 5.11 1113 1004 A 24 ARG HA A 24 ARG HGy 1.0 . 3.92 1114 1004 A 24 ARG HA A 24 ARG HGx 1.0 . 3.92 1115 1005 A 24 ARG HE A 24 ARG HBx 1.0 . 6.30 1116 1005 A 24 ARG HE A 24 ARG HBy 1.0 . 6.30 1117 1006 A 24 ARG HE A 24 ARG HGy 1.0 . 3.82 1118 1006 A 24 ARG HE A 24 ARG HGx 1.0 . 3.82 1119 1007 A 25 TYR H A 24 ARG HGy 1.0 . 5.80 1120 1007 A 25 TYR H A 24 ARG HGx 1.0 . 5.80 1121 1008 A 25 TYR H A 25 TYR HBy 1.0 . 3.63 1122 1008 A 25 TYR H A 25 TYR HBx 1.0 . 3.63 1123 1009 A 95 LEU HDx% A 25 TYR HBy 1.0 . 7.25 1124 1009 A 95 LEU HDx% A 25 TYR HBx 1.0 . 7.25 1125 1010 A 95 LEU HDy% A 25 TYR HBy 1.0 . 6.26 1126 1010 A 95 LEU HDy% A 25 TYR HBx 1.0 . 6.26 1127 1011 A 25 TYR HE% A 97 GLU HBx 1.0 . 7.25 1128 1011 A 25 TYR HE% A 97 GLU HBy 1.0 . 7.25 1129 1012 A 26 ASP H A 26 ASP HBx 1.0 . 3.67 1130 1012 A 26 ASP H A 26 ASP HBy 1.0 . 3.67 1131 1013 A 27 ILE H A 26 ASP HBx 1.0 . 3.61 1132 1013 A 27 ILE H A 26 ASP HBy 1.0 . 3.61 1133 1014 A 27 ILE H A 27 ILE HG1y 1.0 . 4.00 1134 1014 A 27 ILE H A 27 ILE HG1x 1.0 . 4.00 1135 1015 A 27 ILE HG2% A 30 GLN HBy 1.0 . 4.28 1136 1015 A 27 ILE HG2% A 30 GLN HBx 1.0 . 4.28 1137 1016 A 95 LEU HDx% A 27 ILE HG1y 1.0 . 5.52 1138 1016 A 95 LEU HDx% A 27 ILE HG1x 1.0 . 5.52 1139 1017 A 95 LEU HDy% A 27 ILE HG1y 1.0 . 5.59 1140 1017 A 95 LEU HDy% A 27 ILE HG1x 1.0 . 5.59 1141 1018 A 28 VAL H A 94 GLN HGy 1.0 . 5.55 1142 1018 A 28 VAL H A 94 GLN HGx 1.0 . 5.55 1143 1019 A 28 VAL HGx% A 94 GLN HGy 1.0 . 5.78 1144 1019 A 28 VAL HGx% A 94 GLN HGx 1.0 . 5.78 1145 1020 A 94 GLN HE2y A 28 VAL HGx% 1.0 . 5.18 1146 1020 A 94 GLN HE2x A 28 VAL HGx% 1.0 . 5.18 1147 1021 A 28 VAL HGy% A 94 GLN HGy 1.0 . 4.76 1148 1021 A 28 VAL HGy% A 94 GLN HGx 1.0 . 4.76 1149 1022 A 94 GLN HE2y A 28 VAL HGy% 1.0 . 5.15 1150 1022 A 94 GLN HE2x A 28 VAL HGy% 1.0 . 5.15 1151 1023 A 29 GLU H A 94 GLN HGy 1.0 . 6.20 1152 1023 A 29 GLU H A 94 GLN HGx 1.0 . 6.20 1153 1024 A 29 GLU HA A 94 GLN HGy 1.0 . 6.05 1154 1024 A 29 GLU HA A 94 GLN HGx 1.0 . 6.05 1155 1025 A 32 GLU H A 32 GLU HBy 1.0 . 3.65 1156 1025 A 32 GLU H A 32 GLU HBx 1.0 . 3.65 1157 1026 A 32 GLU H A 32 GLU HGx 1.0 . 3.50 1158 1026 A 32 GLU H A 32 GLU HGy 1.0 . 3.50 1159 1027 A 33 THR H A 32 GLU HBy 1.0 . 3.56 1160 1027 A 33 THR H A 32 GLU HBx 1.0 . 3.56 1161 1028 A 33 THR HG2% A 32 GLU HBy 1.0 . 5.92 1162 1028 A 33 THR HG2% A 32 GLU HBx 1.0 . 5.92 1163 1029 A 33 THR H A 32 GLU HGx 1.0 . 4.71 1164 1029 A 33 THR H A 32 GLU HGy 1.0 . 4.71 1165 1030 A 34 VAL HB A 57 VAL HGy% 1.0 . 6.37 1166 1030 A 34 VAL HB A 57 VAL HGx% 1.0 . 6.37 1167 1031 A 34 VAL HGy% A 57 VAL HGy% 1.0 . 7.46 1168 1031 A 34 VAL HGy% A 57 VAL HGx% 1.0 . 7.46 1169 1032 A 34 VAL HGy% A 88 PRO HGy 1.0 . 5.75 1170 1032 A 34 VAL HGy% A 88 PRO HGx 1.0 . 5.75 1171 1033 A 35 GLN H A 35 GLN HGy 1.0 . 5.24 1172 1033 A 35 GLN H A 35 GLN HGx 1.0 . 5.24 1173 1034 A 36 VAL H A 35 GLN HGy 1.0 . 4.56 1174 1034 A 36 VAL H A 35 GLN HGx 1.0 . 4.56 1175 1035 A 36 VAL HGx% A 57 VAL HGy% 1.0 . 7.37 1176 1035 A 36 VAL HGx% A 57 VAL HGx% 1.0 . 7.37 1177 1036 A 38 LEU H A 38 LEU HBy 1.0 . 3.85 1178 1036 A 38 LEU H A 38 LEU HBx 1.0 . 3.85 1179 1037 A 84 VAL HGy% A 38 LEU HBy 1.0 . 6.64 1180 1037 A 84 VAL HGy% A 38 LEU HBx 1.0 . 6.64 1181 1038 A 39 GLU H A 82 LEU HBy 1.0 . 5.12 1182 1038 A 39 GLU H A 82 LEU HBx 1.0 . 5.12 1183 1039 A 39 GLU HA A 39 GLU HGy 1.0 . 3.99 1184 1039 A 39 GLU HA A 39 GLU HGx 1.0 . 3.99 1185 1040 A 40 GLY H A 39 GLU HGy 1.0 . 4.29 1186 1040 A 40 GLY H A 39 GLU HGx 1.0 . 4.29 1187 1041 A 83 ALA HB% A 39 GLU HGy 1.0 . 5.65 1188 1041 A 83 ALA HB% A 39 GLU HGx 1.0 . 5.65 1189 1042 A 82 LEU HDy% A 40 GLY HAx 1.0 . 5.46 1190 1042 A 82 LEU HDy% A 40 GLY HAy 1.0 . 5.46 1191 1043 A 44 VAL H A 41 PRO HBx 1.0 . 4.58 1192 1043 A 44 VAL H A 41 PRO HBy 1.0 . 4.58 1193 1044 A 44 VAL HGy% A 41 PRO HBx 1.0 . 5.13 1194 1044 A 44 VAL HGy% A 41 PRO HBy 1.0 . 5.13 1195 1045 A 42 ARG H A 42 ARG HGx 1.0 . 4.61 1196 1045 A 42 ARG H A 42 ARG HGy 1.0 . 4.61 1197 1046 A 44 VAL HGx% A 81 ASP HBx 1.0 . 5.60 1198 1046 A 44 VAL HGx% A 81 ASP HBy 1.0 . 5.60 1199 1047 A 44 VAL HGy% A 81 ASP HBx 1.0 . 5.62 1200 1047 A 44 VAL HGy% A 81 ASP HBy 1.0 . 5.62 1201 1048 A 46 THR HA A 49 ARG HGx 1.0 . 4.79 1202 1048 A 46 THR HA A 49 ARG HGy 1.0 . 4.79 1203 1049 A 49 ARG H A 49 ARG HGx 1.0 . 3.87 1204 1049 A 49 ARG H A 49 ARG HGy 1.0 . 3.87 1205 1050 A 50 PHE H A 49 ARG HGx 1.0 . 6.77 1206 1050 A 50 PHE H A 49 ARG HGy 1.0 . 6.77 1207 1051 A 52 ARG H A 52 ARG HGy 1.0 . 3.65 1208 1051 A 52 ARG H A 52 ARG HGx 1.0 . 3.65 1209 1052 A 52 ARG H A 53 PRO HDx 1.0 . 5.41 1210 1052 A 52 ARG H A 53 PRO HDy 1.0 . 5.41 1211 1053 A 52 ARG HA A 52 ARG HGy 1.0 . 3.94 1212 1053 A 52 ARG HA A 52 ARG HGx 1.0 . 3.94 1213 1054 A 52 ARG HA A 53 PRO HDx 1.0 . 3.52 1214 1054 A 52 ARG HA A 53 PRO HDy 1.0 . 3.52 1215 1055 A 55 TYR HD% A 53 PRO HBx 1.0 . 6.49 1216 1055 A 55 TYR HD% A 53 PRO HBy 1.0 . 6.49 1217 1056 A 55 TYR HE% A 53 PRO HBx 1.0 . 6.78 1218 1056 A 55 TYR HE% A 53 PRO HBy 1.0 . 6.78 1219 1057 A 55 TYR H A 54 SER HBx 1.0 . 4.06 1220 1057 A 55 TYR H A 54 SER HBy 1.0 . 4.06 1221 1058 A 55 TYR HA A 77 GLY HAy 1.0 . 4.90 1222 1058 A 55 TYR HA A 77 GLY HAx 1.0 . 4.90 1223 1059 A 56 GLU H A 56 GLU HBy 1.0 . 3.65 1224 1059 A 56 GLU H A 56 GLU HBx 1.0 . 3.65 1225 1060 A 56 GLU H A 77 GLY HAy 1.0 . 5.01 1226 1060 A 56 GLU H A 77 GLY HAx 1.0 . 5.01 1227 1061 A 57 VAL H A 57 VAL HGy% 1.0 . 4.16 1228 1061 A 57 VAL H A 57 VAL HGx% 1.0 . 4.16 1229 1062 A 58 PHE H A 57 VAL HGy% 1.0 . 6.41 1230 1062 A 58 PHE H A 57 VAL HGx% 1.0 . 6.41 1231 1063 A 73 VAL HGy% A 57 VAL HGy% 1.0 . 8.11 1232 1063 A 73 VAL HGy% A 57 VAL HGx% 1.0 . 8.11 1233 1064 A 75 HIS HA A 57 VAL HGy% 1.0 . 7.17 1234 1064 A 75 HIS HA A 57 VAL HGx% 1.0 . 7.17 1235 1065 A 78 PHE HZ A 57 VAL HGy% 1.0 . 8.46 1236 1065 A 78 PHE HZ A 57 VAL HGx% 1.0 . 8.46 1237 1066 A 86 VAL HGx% A 57 VAL HGy% 1.0 . 8.54 1238 1066 A 86 VAL HGx% A 57 VAL HGx% 1.0 . 8.54 1239 1067 A 86 VAL HGy% A 57 VAL HGy% 1.0 . 9.08 1240 1067 A 86 VAL HGy% A 57 VAL HGx% 1.0 . 9.08 1241 1068 A 60 ASP H A 60 ASP HBx 1.0 . 3.72 1242 1068 A 60 ASP H A 60 ASP HBy 1.0 . 3.72 1243 1069 A 64 ALA HB% A 65 GLY HAx 1.0 . 6.21 1244 1069 A 64 ALA HB% A 65 GLY HAy 1.0 . 6.21 1245 1070 A 66 GLU H A 66 GLU HBy 1.0 . 3.31 1246 1070 A 66 GLU H A 66 GLU HBx 1.0 . 3.31 1247 1071 A 67 GLY H A 66 GLU HBy 1.0 . 3.54 1248 1071 A 67 GLY H A 66 GLU HBx 1.0 . 3.54 1249 1072 A 72 ASP H A 72 ASP HBx 1.0 . 3.52 1250 1072 A 72 ASP H A 72 ASP HBy 1.0 . 3.52 1251 1073 A 73 VAL H A 72 ASP HBx 1.0 . 3.99 1252 1073 A 73 VAL H A 72 ASP HBy 1.0 . 3.99 1253 1074 A 76 ARG H A 76 ARG HGx 1.0 . 5.30 1254 1074 A 76 ARG H A 76 ARG HGy 1.0 . 5.30 1255 1075 A 81 ASP H A 81 ASP HBx 1.0 . 3.14 1256 1075 A 81 ASP H A 81 ASP HBy 1.0 . 3.14 1257 1076 A 82 LEU H A 81 ASP HBx 1.0 . 3.79 1258 1076 A 82 LEU H A 81 ASP HBy 1.0 . 3.79 1259 1077 A 82 LEU HDx% A 81 ASP HBx 1.0 . 6.93 1260 1077 A 82 LEU HDx% A 81 ASP HBy 1.0 . 6.93 1261 1078 A 82 LEU H A 82 LEU HBy 1.0 . 3.42 1262 1078 A 82 LEU H A 82 LEU HBx 1.0 . 3.42 1263 1079 A 90 MET H A 88 PRO HBx 1.0 . 4.50 1264 1079 A 90 MET H A 88 PRO HBy 1.0 . 4.50 1265 1080 A 89 ARG H A 89 ARG HGy 1.0 . 3.67 1266 1080 A 89 ARG H A 89 ARG HGx 1.0 . 3.67 1267 1081 A 89 ARG HA A 89 ARG HGy 1.0 . 3.52 1268 1081 A 89 ARG HA A 89 ARG HGx 1.0 . 3.52 1269 1082 A 90 MET H A 89 ARG HGy 1.0 . 4.28 1270 1082 A 90 MET H A 89 ARG HGx 1.0 . 4.28 1271 1083 A 93 VAL H A 92 ARG HGy 1.0 . 6.77 1272 1083 A 93 VAL H A 92 ARG HGx 1.0 . 6.77 1273 1084 A 94 GLN H A 94 GLN HGy 1.0 . 4.85 1274 1084 A 94 GLN H A 94 GLN HGx 1.0 . 4.85 1275 1085 A 94 GLN HE2x A 94 GLN HGy 1.0 . 3.15 1276 1085 A 94 GLN HE2y A 94 GLN HGx 1.0 . 3.15 1277 1085 A 94 GLN HE2x A 94 GLN HGx 1.0 . 3.15 1278 1085 A 94 GLN HE2y A 94 GLN HGy 1.0 . 3.15 1279 1086 A 95 LEU H A 94 GLN HGy 1.0 . 6.30 1280 1086 A 95 LEU H A 94 GLN HGx 1.0 . 6.30 1281 1087 A 95 LEU H A 95 LEU HBx 1.0 . 3.87 1282 1087 A 95 LEU H A 95 LEU HBy 1.0 . 3.87 1283 1088 A 96 GLU H A 96 GLU HBy 1.0 . 3.81 1284 1088 A 96 GLU H A 96 GLU HBx 1.0 . 3.81 1285 1089 A 96 GLU H A 96 GLU HGy 1.0 . 5.15 1286 1089 A 96 GLU H A 96 GLU HGx 1.0 . 5.15 1287 1090 A 98 ARG H A 97 GLU HBx 1.0 . 4.42 1288 1090 A 98 ARG H A 97 GLU HBy 1.0 . 4.42 1289 1091 A 98 ARG H A 98 ARG HGy 1.0 . 4.95 1290 1091 A 98 ARG H A 98 ARG HGx 1.0 . 4.95 1291 1092 A 98 ARG HA A 98 ARG HGy 1.0 . 3.90 1292 1092 A 98 ARG HA A 98 ARG HGx 1.0 . 3.90 1293 1093 A 98 ARG HBx A 98 ARG HGy 1.0 . 2.58 1294 1093 A 98 ARG HBx A 98 ARG HGx 1.0 . 2.58 1295 1094 A 99 GLN H A 98 ARG HGy 1.0 . 4.29 1296 1094 A 99 GLN H A 98 ARG HGx 1.0 . 4.29 1297 1095 A 100 THR H A 98 ARG HGy 1.0 . 7.07 1298 1095 A 100 THR H A 98 ARG HGx 1.0 . 7.07 1299 1096 A 99 GLN H A 99 GLN HBx 1.0 . 2.92 1300 1096 A 99 GLN H A 99 GLN HBy 1.0 . 2.92 1301 1097 A 100 THR H A 99 GLN HBx 1.0 . 4.43 1302 1097 A 100 THR H A 99 GLN HBy 1.0 . 4.43 1303 1098 A 100 THR HB A 99 GLN HBx 1.0 . 8.33 1304 1098 A 100 THR HB A 99 GLN HBy 1.0 . 8.33 1305 1099 A 100 THR HA A 101 VAL HGy% 1.0 . 9.13 1306 1099 A 100 THR HA A 101 VAL HGx% 1.0 . 9.13 1307 1100 A 102 SER H A 101 VAL HGy% 1.0 . 5.56 1308 1100 A 102 SER H A 101 VAL HGx% 1.0 . 5.56 1309 1101 A 103 VAL HA A 104 PRO HDx 1.0 . 3.13 1310 1101 A 103 VAL HA A 104 PRO HDy 1.0 . 3.13 1311 1102 A 105 VAL H A 104 PRO HBy 1.0 . 4.28 1312 1102 A 105 VAL H A 104 PRO HBx 1.0 . 4.28 1313 1103 A 105 VAL H A 105 VAL HGy% 1.0 . 5.36 1314 1103 A 105 VAL H A 105 VAL HGx% 1.0 . 5.36 1315 1104 A 106 THR H A 105 VAL HGy% 1.0 . 6.92 1316 1104 A 106 THR H A 105 VAL HGx% 1.0 . 6.92 1317 1105 A 108 GLU H A 108 GLU HBx 1.0 . 4.28 1318 1105 A 108 GLU H A 108 GLU HBy 1.0 . 4.28 1319 1106 A 110 ILE H A 110 ILE HG1x 1.0 . 7.28 1320 1106 A 110 ILE H A 110 ILE HG1y 1.0 . 7.28 1321 1107 A 112 LEU H A 112 LEU HBy 1.0 . 4.99 1322 1107 A 112 LEU H A 112 LEU HBx 1.0 . 4.99 1323 1108 A 112 LEU HG A 112 LEU HBy 1.0 . 3.24 1324 1108 A 112 LEU HG A 112 LEU HBx 1.0 . 3.24 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 GLY O A 40 GLY N 1.0 . 3.0 2 2 A 40 GLY H A 7 GLY O 1.0 . 2.0 3 3 A 26 ASP O A 96 GLU N 1.0 . 3.0 4 4 A 96 GLU H A 26 ASP O 1.0 . 2.0 5 5 A 34 VAL O A 14 LEU N 1.0 . 3.0 6 6 A 14 LEU H A 34 VAL O 1.0 . 2.0 7 7 A 35 GLN O A 87 GLU N 1.0 . 3.0 8 8 A 87 GLU H A 35 GLN O 1.0 . 2.0 9 9 A 38 LEU O A 9 LEU N 1.0 . 3.0 10 10 A 9 LEU H A 38 LEU O 1.0 . 2.0 11 11 A 57 VAL O A 17 THR N 1.0 . 3.0 12 12 A 17 THR H A 57 VAL O 1.0 . 2.0 13 13 A 69 HIS O A 93 VAL N 1.0 . 3.0 14 14 A 93 VAL H A 69 HIS O 1.0 . 2.0 15 15 A 76 ARG O A 56 GLU N 1.0 . 3.0 16 16 A 56 GLU H A 76 ARG O 1.0 . 2.0 17 17 A 83 ALA O A 39 GLU N 1.0 . 3.0 18 18 A 39 GLU H A 83 ALA O 1.0 . 2.0 19 19 A 91 ALA O A 71 VAL N 1.0 . 3.0 20 20 A 71 VAL H A 91 ALA O 1.0 . 2.0 21 21 A 94 GLN O A 28 VAL N 1.0 . 3.0 22 22 A 28 VAL H A 94 GLN O 1.0 . 2.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 GLY C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -161.0 -119.0 PHI 2 2 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LEU N 1.0 137.0 167.0 PSI 3 3 A 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -155.0 -133.0 PHI 4 4 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 SER N 1.0 125.0 151.0 PSI 5 5 A 9 LEU C A 10 SER N A 10 SER CA A 10 SER C 1.0 -125.0 -81.0 PHI 6 6 A 10 SER N A 10 SER CA A 10 SER C A 11 LEU N 1.0 107.0 139.0 PSI 7 7 A 12 GLY C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -117.0 -65.0 PHI 8 8 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 LEU N 1.0 105.0 143.0 PSI 9 9 A 13 GLU C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -135.0 -97.0 PHI 10 10 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLU N 1.0 131.0 171.0 PSI 11 11 A 14 LEU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -107.0 -73.0 PHI 12 12 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LEU N 1.0 121.0 145.0 PSI 13 13 A 15 GLU C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -139.0 -85.0 PHI 14 14 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 THR N 1.0 107.0 145.0 PSI 15 15 A 16 LEU C A 17 THR N A 17 THR CA A 17 THR C 1.0 -137.0 -89.0 PHI 16 16 A 17 THR N A 17 THR CA A 17 THR C A 18 VAL N 1.0 113.0 137.0 PSI 17 17 A 17 THR C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -121.0 -107.0 PHI 18 18 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 LEU N 1.0 115.0 139.0 PSI 19 19 A 18 VAL C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -109.0 -89.0 PHI 20 20 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 TYR N 1.0 119.0 147.0 PSI 21 21 A 25 TYR C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -143.0 -111.0 PHI 22 22 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 ILE N 1.0 135.0 161.0 PSI 23 23 A 26 ASP C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -91.0 -65.0 PHI 24 24 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 VAL N 1.0 105.0 141.0 PSI 25 25 A 27 ILE C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -109.0 -73.0 PHI 26 26 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 GLU N 1.0 -49.0 -27.0 PSI 27 27 A 28 VAL C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -185.0 -135.0 PHI 28 28 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLN N 1.0 155.0 173.0 PSI 29 29 A 32 GLU C A 33 THR N A 33 THR CA A 33 THR C 1.0 -159.0 -129.0 PHI 30 30 A 33 THR N A 33 THR CA A 33 THR C A 34 VAL N 1.0 147.0 173.0 PSI 31 31 A 33 THR C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -141.0 -125.0 PHI 32 32 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 GLN N 1.0 149.0 165.0 PSI 33 33 A 34 VAL C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -115.0 -91.0 PHI 34 34 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 VAL N 1.0 113.0 141.0 PSI 35 35 A 35 GLN C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -127.0 -109.0 PHI 36 36 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ASP N 1.0 121.0 141.0 PSI 37 37 A 36 VAL C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -135.0 -117.0 PHI 38 38 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 LEU N 1.0 131.0 163.0 PSI 39 39 A 37 ASP C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -139.0 -115.0 PHI 40 40 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLU N 1.0 125.0 153.0 PSI 41 41 A 38 LEU C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -147.0 -117.0 PHI 42 42 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 GLY N 1.0 137.0 167.0 PSI 43 43 A 41 PRO C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -61.0 -49.0 PHI 44 44 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 GLY N 1.0 -47.0 -31.0 PSI 45 45 A 42 ARG C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 -67.0 -55.0 PHI 46 46 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 VAL N 1.0 -49.0 -33.0 PSI 47 47 A 43 GLY C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -69.0 -57.0 PHI 48 48 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 LEU N 1.0 -53.0 -39.0 PSI 49 49 A 44 VAL C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -67.0 -55.0 PHI 50 50 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 THR N 1.0 -51.0 -33.0 PSI 51 51 A 45 LEU C A 46 THR N A 46 THR CA A 46 THR C 1.0 -69.0 -57.0 PHI 52 52 A 46 THR N A 46 THR CA A 46 THR C A 47 VAL N 1.0 -51.0 -39.0 PSI 53 53 A 46 THR C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -71.0 -49.0 PHI 54 54 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 PHE N 1.0 -55.0 -29.0 PSI 55 55 A 47 VAL C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -69.0 -57.0 PHI 56 56 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ARG N 1.0 -51.0 -29.0 PSI 57 57 A 48 PHE C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -75.0 -59.0 PHI 58 58 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 PHE N 1.0 -45.0 -15.0 PSI 59 59 A 55 TYR C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -143.0 -115.0 PHI 60 60 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 VAL N 1.0 145.0 171.0 PSI 61 61 A 56 GLU C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -151.0 -103.0 PHI 62 62 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 PHE N 1.0 125.0 169.0 PSI 63 63 A 57 VAL C A 58 PHE N A 58 PHE CA A 58 PHE C 1.0 -157.0 -121.0 PHI 64 64 A 58 PHE N A 58 PHE CA A 58 PHE C A 59 VAL N 1.0 151.0 177.0 PSI 65 65 A 58 PHE C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -147.0 -125.0 PHI 66 66 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 ASP N 1.0 135.0 165.0 PSI 67 67 A 59 VAL C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -127.0 -75.0 PHI 68 68 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 LEU N 1.0 103.0 143.0 PSI 69 69 A 68 SER C A 69 HIS N A 69 HIS CA A 69 HIS C 1.0 -131.0 -107.0 PHI 70 70 A 69 HIS N A 69 HIS CA A 69 HIS C A 70 THR N 1.0 123.0 141.0 PSI 71 71 A 69 HIS C A 70 THR N A 70 THR CA A 70 THR C 1.0 -117.0 -81.0 PHI 72 72 A 70 THR N A 70 THR CA A 70 THR C A 71 VAL N 1.0 117.0 141.0 PSI 73 73 A 70 THR C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -153.0 -125.0 PHI 74 74 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 ASP N 1.0 155.0 167.0 PSI 75 75 A 71 VAL C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -85.0 -59.0 PHI 76 76 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 VAL N 1.0 133.0 151.0 PSI 77 77 A 72 ASP C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -109.0 -73.0 PHI 78 78 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 GLU N 1.0 117.0 133.0 PSI 79 79 A 73 VAL C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -145.0 -89.0 PHI 80 80 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 HIS N 1.0 135.0 151.0 PSI 81 81 A 74 GLU C A 75 HIS N A 75 HIS CA A 75 HIS C 1.0 -155.0 -121.0 PHI 82 82 A 75 HIS N A 75 HIS CA A 75 HIS C A 76 ARG N 1.0 151.0 173.0 PSI 83 83 A 75 HIS C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -159.0 -127.0 PHI 84 84 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 GLY N 1.0 145.0 163.0 PSI 85 85 A 82 LEU C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -109.0 -81.0 PHI 86 86 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 VAL N 1.0 103.0 129.0 PSI 87 87 A 83 ALA C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -115.0 -95.0 PHI 88 88 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 THR N 1.0 111.0 151.0 PSI 89 89 A 84 VAL C A 85 THR N A 85 THR CA A 85 THR C 1.0 -123.0 -93.0 PHI 90 90 A 85 THR N A 85 THR CA A 85 THR C A 86 VAL N 1.0 123.0 139.0 PSI 91 91 A 85 THR C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -147.0 -113.0 PHI 92 92 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 GLU N 1.0 117.0 165.0 PSI 93 93 A 86 VAL C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -143.9 -106.6 PHI 94 94 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 PRO N 1.0 117.3 148.5 PSI 95 95 A 89 ARG C A 90 MET N A 90 MET CA A 90 MET C 1.0 -152.6 -106.7 PHI 96 96 A 90 MET N A 90 MET CA A 90 MET C A 91 ALA N 1.0 122.7 161.4 PSI 97 97 A 90 MET C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -149.7 -121.6 PHI 98 98 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 ARG N 1.0 130.3 160.5 PSI 99 99 A 91 ALA C A 92 ARG N A 92 ARG CA A 92 ARG C 1.0 -135.0 -107.5 PHI 100 100 A 92 ARG N A 92 ARG CA A 92 ARG C A 93 VAL N 1.0 125.8 145.1 PSI 101 101 A 92 ARG C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -137.4 -117.0 PHI 102 102 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 GLN N 1.0 121.5 138.2 PSI 103 103 A 93 VAL C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -123.8 -99.1 PHI 104 104 A 94 GLN N A 94 GLN CA A 94 GLN C A 95 LEU N 1.0 121.7 142.7 PSI 105 105 A 94 GLN C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -129.0 -96.3 PHI 106 106 A 95 LEU N A 95 LEU CA A 95 LEU C A 96 GLU N 1.0 125.3 138.7 PSI 107 107 A 95 LEU C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -149.4 -117.8 PHI 108 108 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 GLU N 1.0 122.6 142.1 PSI 109 109 A 3 THR C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -185.0 -45.0 PHI 110 110 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ASP N 1.0 125.0 195.0 PSI 111 111 A 4 PHE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 45.0 285.0 PHI 112 112 A 4 PHE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -185.0 65.0 PHI 113 113 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 HIS N 1.0 35.0 115.0 PSI 114 114 A 5 ASP C A 6 HIS N A 6 HIS CA A 6 HIS C 1.0 -315.0 -45.0 PHI 115 115 A 5 ASP C A 6 HIS N A 6 HIS CA A 6 HIS C 1.0 -185.0 75.0 PHI 116 116 A 6 HIS N A 6 HIS CA A 6 HIS C A 7 GLY N 1.0 5.0 195.0 PSI 117 117 A 6 HIS C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -315.0 -45.0 PHI 118 118 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 ASN N 1.0 -235.0 -125.0 PSI 119 119 A 10 SER C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -315.0 -45.0 PHI 120 120 A 10 SER C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -185.0 75.0 PHI 121 121 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 GLY N 1.0 -85.0 115.0 PSI 122 122 A 11 LEU C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -315.0 -45.0 PHI 123 123 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 GLU N 1.0 -235.0 -125.0 PSI 124 124 A 19 LEU C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -315.0 -45.0 PHI 125 125 A 19 LEU C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -185.0 75.0 PHI 126 126 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ASP N 1.0 -85.0 195.0 PSI 127 127 A 20 TYR C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -315.0 -45.0 PHI 128 128 A 20 TYR C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -185.0 75.0 PHI 129 129 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 GLU N 1.0 15.0 205.0 PSI 130 130 A 21 ASP C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -165.0 -45.0 PHI 131 131 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 GLU N 1.0 -85.0 85.0 PSI 132 132 A 22 GLU C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -115.0 -45.0 PHI 133 133 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ARG N 1.0 -85.0 15.0 PSI 134 134 A 23 GLU C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -185.0 -45.0 PHI 135 135 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 TYR N 1.0 -85.0 35.0 PSI 136 136 A 24 ARG C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -315.0 -45.0 PHI 137 137 A 24 ARG C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -185.0 75.0 PHI 138 138 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 ASP N 1.0 -25.0 195.0 PSI 139 139 A 29 GLU C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -315.0 -45.0 PHI 140 140 A 29 GLU C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -185.0 75.0 PHI 141 141 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 THR N 1.0 -5.0 195.0 PSI 142 142 A 30 GLN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -315.0 -45.0 PHI 143 143 A 30 GLN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -185.0 65.0 PHI 144 144 A 31 THR N A 31 THR CA A 31 THR C A 32 GLU N 1.0 -5.0 195.0 PSI 145 145 A 31 THR C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -155.0 -45.0 PHI 146 146 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 THR N 1.0 -85.0 -15.0 PSI 147 147 A 39 GLU C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 -315.0 -45.0 PHI 148 148 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 PRO N 1.0 55.0 295.0 PSI 149 149 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 PRO N 1.0 -205.0 85.0 PSI 150 150 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 PRO N 1.0 -95.0 205.0 PSI 151 151 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 ARG N 1.0 -295.0 5.0 PSI 152 152 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 ARG N 1.0 -55.0 195.0 PSI 153 153 A 49 ARG C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -185.0 -45.0 PHI 154 154 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 ALA N 1.0 -85.0 -5.0 PSI 155 155 A 50 PHE C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -315.0 -45.0 PHI 156 156 A 50 PHE C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -185.0 75.0 PHI 157 157 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ARG N 1.0 105.0 195.0 PSI 158 158 A 51 ALA C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -85.0 -45.0 PHI 159 159 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 PRO N 1.0 155.0 165.0 PSI 160 160 A 53 PRO N A 53 PRO CA A 53 PRO C A 54 SER N 1.0 125.0 195.0 PSI 161 161 A 53 PRO C A 54 SER N A 54 SER CA A 54 SER C 1.0 -165.0 -75.0 PHI 162 162 A 54 SER N A 54 SER CA A 54 SER C A 55 TYR N 1.0 -5.0 35.0 PSI 163 163 A 54 SER C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -315.0 -45.0 PHI 164 164 A 54 SER C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -185.0 75.0 PHI 165 165 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 GLU N 1.0 -15.0 195.0 PSI 166 166 A 60 ASP C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -315.0 -45.0 PHI 167 167 A 60 ASP C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -185.0 75.0 PHI 168 168 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 THR N 1.0 -85.0 205.0 PSI 169 169 A 61 LEU C A 62 THR N A 62 THR CA A 62 THR C 1.0 -315.0 -45.0 PHI 170 170 A 61 LEU C A 62 THR N A 62 THR CA A 62 THR C 1.0 -185.0 65.0 PHI 171 171 A 62 THR N A 62 THR CA A 62 THR C A 63 GLU N 1.0 -285.0 15.0 PSI 172 172 A 62 THR N A 62 THR CA A 62 THR C A 63 GLU N 1.0 -85.0 135.0 PSI 173 173 A 62 THR C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -125.0 -45.0 PHI 174 174 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 ALA N 1.0 -85.0 5.0 PSI 175 175 A 63 GLU C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -315.0 -45.0 PHI 176 176 A 63 GLU C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -185.0 75.0 PHI 177 177 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 GLY N 1.0 115.0 205.0 PSI 178 178 A 64 ALA C A 65 GLY N A 65 GLY CA A 65 GLY C 1.0 -315.0 -45.0 PHI 179 179 A 65 GLY N A 65 GLY CA A 65 GLY C A 66 GLU N 1.0 -295.0 55.0 PSI 180 180 A 65 GLY N A 65 GLY CA A 65 GLY C A 66 GLU N 1.0 -145.0 145.0 PSI 181 181 A 65 GLY N A 65 GLY CA A 65 GLY C A 66 GLU N 1.0 -55.0 295.0 PSI 182 182 A 65 GLY C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -185.0 -45.0 PHI 183 183 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 GLY N 1.0 145.0 195.0 PSI 184 184 A 66 GLU C A 67 GLY N A 67 GLY CA A 67 GLY C 1.0 -305.0 -55.0 PHI 185 185 A 67 GLY N A 67 GLY CA A 67 GLY C A 68 SER N 1.0 -235.0 -125.0 PSI 186 186 A 67 GLY C A 68 SER N A 68 SER CA A 68 SER C 1.0 -155.0 -45.0 PHI 187 187 A 68 SER N A 68 SER CA A 68 SER C A 69 HIS N 1.0 135.0 205.0 PSI 188 188 A 76 ARG C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 -315.0 -45.0 PHI 189 189 A 77 GLY C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -315.0 -45.0 PHI 190 190 A 77 GLY C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -185.0 75.0 PHI 191 191 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 PRO N 1.0 55.0 165.0 PSI 192 192 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 PRO N 1.0 -215.0 85.0 PSI 193 193 A 79 PRO N A 79 PRO CA A 79 PRO C A 80 GLY N 1.0 65.0 195.0 PSI 194 194 A 79 PRO C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 -315.0 -45.0 PHI 195 195 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 ASP N 1.0 -115.0 115.0 PSI 196 196 A 80 GLY C A 81 ASP N A 81 ASP CA A 81 ASP C 1.0 -175.0 -45.0 PHI 197 197 A 81 ASP N A 81 ASP CA A 81 ASP C A 82 LEU N 1.0 -85.0 15.0 PSI 198 198 A 81 ASP C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -135.0 -45.0 PHI 199 199 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 ALA N 1.0 -295.0 5.0 PSI 200 200 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 ALA N 1.0 -25.0 205.0 PSI 201 201 A 88 PRO N A 88 PRO CA A 88 PRO C A 89 ARG N 1.0 135.0 195.0 PSI 202 202 A 88 PRO C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -185.0 -45.0 PHI 203 203 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 MET N 1.0 -85.0 5.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 13 2 1H 13 3 15N 33 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 13 2 1H 13 3 13C 44 stop_ save_