data_nef_c17429_2l8v 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 VAL middle . . 4 A 4 GLU middle . . 5 A 5 LEU middle . . 6 A 6 ARG middle . . 7 A 7 ALA middle . . 8 A 8 ASN middle . . 9 A 9 TRP middle . . 10 A 10 SER middle . . 11 A 11 GLU middle . . 12 A 12 GLU middle . . 13 A 13 ASP middle . . 14 A 14 LEU middle . . 15 A 15 GLU middle . . 16 A 16 THR middle . . 17 A 17 VAL middle . . 18 A 18 ILE middle . . 19 A 19 ARG middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 TYR middle . . 23 A 23 ARG middle . . 24 A 24 GLN middle . . 25 A 25 VAL middle . . 26 A 26 LEU middle . . 27 A 27 GLY middle . false 28 A 28 ASN middle . . 29 A 29 ASP middle . . 30 A 30 TYR middle . . 31 A 31 VAL middle . . 32 A 32 MET middle . . 33 A 33 ALA middle . . 34 A 34 SER middle . . 35 A 35 GLU middle . . 36 A 36 ARG middle . . 37 A 37 LEU middle . . 38 A 38 VAL middle . . 39 A 39 SER middle . . 40 A 40 ALA middle . . 41 A 41 GLU middle . . 42 A 42 SER middle . . 43 A 43 LEU middle . . 44 A 44 LEU middle . . 45 A 45 ARG middle . . 46 A 46 ASN middle . . 47 A 47 GLY middle . false 48 A 48 LYS middle . . 49 A 49 ILE middle . . 50 A 50 THR middle . . 51 A 51 VAL middle . . 52 A 52 ARG middle . . 53 A 53 GLU middle . . 54 A 54 PHE middle . . 55 A 55 VAL middle . . 56 A 56 ARG middle . . 57 A 57 ALA middle . . 58 A 58 VAL middle . . 59 A 59 ALA middle . . 60 A 60 LYS middle . . 61 A 61 SER middle . . 62 A 62 GLU middle . . 63 A 63 LEU middle . . 64 A 64 TYR middle . . 65 A 65 LYS middle . . 66 A 66 GLU middle . . 67 A 67 LYS middle . . 68 A 68 PHE middle . . 69 A 69 LEU middle . . 70 A 70 TYR middle . . 71 A 71 GLY middle . false 72 A 72 ASN middle . . 73 A 73 PHE middle . . 74 A 74 GLN middle . . 75 A 75 THR middle . . 76 A 76 ARG middle . . 77 A 77 VAL middle . . 78 A 78 ILE middle . . 79 A 79 GLU middle . . 80 A 80 LEU middle . . 81 A 81 ASN middle . . 82 A 82 TYR middle . . 83 A 83 LYS middle . . 84 A 84 HIS middle . . 85 A 85 LEU middle . . 86 A 86 LEU middle . . 87 A 87 GLY middle . false 88 A 88 ARG middle . . 89 A 89 ALA middle . . 90 A 90 PRO middle . false 91 A 91 TYR middle . . 92 A 92 ASP middle . . 93 A 93 GLU middle . . 94 A 94 SER middle . . 95 A 95 GLU middle . . 96 A 96 VAL middle . . 97 A 97 ILE middle . . 98 A 98 PHE middle . . 99 A 99 HIS middle . . 100 A 100 LEU middle . . 101 A 101 ASP middle . . 102 A 102 LEU middle . . 103 A 103 TYR middle . . 104 A 104 GLU middle . . 105 A 105 ASN middle . . 106 A 106 GLU middle . . 107 A 107 GLY middle . false 108 A 108 PHE middle . . 109 A 109 ASP middle . . 110 A 110 ALA middle . . 111 A 111 ASP middle . . 112 A 112 ILE middle . . 113 A 113 ASP middle . . 114 A 114 SER middle . . 115 A 115 TYR middle . . 116 A 116 ILE middle . . 117 A 117 ASP middle . . 118 A 118 SER middle . . 119 A 119 PRO middle . false 120 A 120 GLU middle . . 121 A 121 TYR middle . . 122 A 122 THR middle . . 123 A 123 ASN middle . . 124 A 124 SER middle . . 125 A 125 PHE middle . . 126 A 126 GLY middle . false 127 A 127 ASP middle . . 128 A 128 TRP middle . . 129 A 129 VAL middle . . 130 A 130 VAL middle . . 131 A 131 PRO middle . false 132 A 132 TYR middle . . 133 A 133 TYR middle . . 134 A 134 ARG middle . . 135 A 135 GLY middle . false 136 A 136 LEU middle . . 137 A 137 GLU middle . . 138 A 138 HIS middle . . 139 A 139 HIS middle . . 140 A 140 HIS middle . . 141 A 141 HIS middle . . 142 A 142 HIS middle . . 143 A 143 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 2 PRO HA H 1 4.12 0.02 A 2 PRO HBx H 1 2.00 0.02 A 2 PRO HBy H 1 2.00 0.02 A 2 PRO HDy H 1 3.22 0.02 A 2 PRO HDx H 1 2.95 0.02 A 2 PRO HGx H 1 1.20 0.02 A 2 PRO HGy H 1 1.75 0.02 A 2 PRO CA C 13 62.2 0.2 A 2 PRO CB C 13 32.8 0.2 A 2 PRO CD C 13 49.1 0.2 A 2 PRO CG C 13 26.2 0.2 A 3 VAL HA H 1 4.10 0.02 A 3 VAL HB H 1 1.90 0.02 A 3 VAL HG1% H 1 0.88 0.02 A 3 VAL HG2% H 1 0.88 0.02 A 3 VAL C C 13 173.1 0.2 A 3 VAL CA C 13 62.9 0.2 A 3 VAL CB C 13 32.2 0.2 A 3 VAL CG1 C 13 22.8 0.2 A 3 VAL CG2 C 13 20.8 0.2 A 4 GLU H H 1 8.31 0.02 A 4 GLU HA H 1 5.25 0.02 A 4 GLU HBx H 1 1.89 0.02 A 4 GLU HBy H 1 1.89 0.02 A 4 GLU HGx H 1 2.05 0.02 A 4 GLU HGy H 1 2.05 0.02 A 4 GLU C C 13 174.5 0.2 A 4 GLU CA C 13 53.5 0.2 A 4 GLU CB C 13 34.6 0.2 A 4 GLU CG C 13 35.5 0.2 A 4 GLU N N 15 126.5 0.2 A 5 LEU H H 1 8.46 0.02 A 5 LEU HA H 1 4.56 0.02 A 5 LEU HBy H 1 2.31 0.02 A 5 LEU HBx H 1 1.14 0.02 A 5 LEU HD1% H 1 0.39 0.02 A 5 LEU HD2% H 1 0.33 0.02 A 5 LEU HG H 1 1.33 0.02 A 5 LEU C C 13 175.2 0.2 A 5 LEU CA C 13 53.6 0.2 A 5 LEU CB C 13 43.4 0.2 A 5 LEU CD1 C 13 23.2 0.2 A 5 LEU CD2 C 13 25.6 0.2 A 5 LEU CG C 13 27.2 0.2 A 5 LEU N N 15 125.9 0.2 A 6 ARG H H 1 8.58 0.02 A 6 ARG HA H 1 4.26 0.02 A 6 ARG HBy H 1 1.85 0.02 A 6 ARG HBx H 1 1.73 0.02 A 6 ARG HDx H 1 3.15 0.02 A 6 ARG HDy H 1 3.15 0.02 A 6 ARG HGx H 1 1.52 0.02 A 6 ARG HGy H 1 1.52 0.02 A 6 ARG C C 13 174.7 0.2 A 6 ARG CA C 13 55.2 0.2 A 6 ARG CB C 13 31.5 0.2 A 6 ARG CD C 13 43.3 0.2 A 6 ARG CG C 13 27.7 0.2 A 6 ARG N N 15 127.8 0.2 A 7 ALA H H 1 7.93 0.02 A 7 ALA HA H 1 3.97 0.02 A 7 ALA HB% H 1 1.22 0.02 A 7 ALA C C 13 178.5 0.2 A 7 ALA CA C 13 53.2 0.2 A 7 ALA CB C 13 18.6 0.2 A 7 ALA N N 15 119.6 0.2 A 8 ASN H H 1 8.65 0.02 A 8 ASN HA H 1 4.17 0.02 A 8 ASN HBx H 1 2.78 0.02 A 8 ASN HBy H 1 2.78 0.02 A 8 ASN HD21 H 1 6.82 0.02 A 8 ASN HD22 H 1 7.49 0.02 A 8 ASN C C 13 174.2 0.2 A 8 ASN CA C 13 53.4 0.2 A 8 ASN CB C 13 36.9 0.2 A 8 ASN CG C 13 178.5 0.2 A 8 ASN N N 15 115.2 0.2 A 8 ASN ND2 N 15 113.2 0.2 A 9 TRP H H 1 7.00 0.02 A 9 TRP HA H 1 4.51 0.02 A 9 TRP HBx H 1 3.46 0.02 A 9 TRP HBy H 1 3.75 0.02 A 9 TRP HD1 H 1 7.41 0.02 A 9 TRP HE1 H 1 10.10 0.02 A 9 TRP HH2 H 1 7.44 0.02 A 9 TRP HZ2 H 1 7.55 0.02 A 9 TRP HZ3 H 1 6.88 0.02 A 9 TRP C C 13 176.3 0.2 A 9 TRP CA C 13 55.5 0.2 A 9 TRP CB C 13 29.9 0.2 A 9 TRP CD1 C 13 129.4 0.2 A 9 TRP CH2 C 13 125.0 0.2 A 9 TRP CZ2 C 13 114.4 0.2 A 9 TRP CZ3 C 13 121.6 0.2 A 9 TRP N N 15 117.2 0.2 A 9 TRP NE1 N 15 129.9 0.2 A 10 SER H H 1 9.33 0.02 A 10 SER HA H 1 4.90 0.02 A 10 SER HBy H 1 4.45 0.02 A 10 SER HBx H 1 4.09 0.02 A 10 SER C C 13 176.2 0.2 A 10 SER CA C 13 56.3 0.2 A 10 SER CB C 13 66.8 0.2 A 10 SER N N 15 117.3 0.2 A 11 GLU H H 1 9.21 0.02 A 11 GLU HA H 1 4.23 0.02 A 11 GLU HBx H 1 2.17 0.02 A 11 GLU HBy H 1 2.17 0.02 A 11 GLU HGx H 1 2.47 0.02 A 11 GLU HGy H 1 2.47 0.02 A 11 GLU C C 13 178.9 0.2 A 11 GLU CA C 13 60.5 0.2 A 11 GLU CB C 13 29.3 0.2 A 11 GLU CG C 13 36.4 0.2 A 11 GLU N N 15 122.7 0.2 A 12 GLU H H 1 8.64 0.02 A 12 GLU HA H 1 4.14 0.02 A 12 GLU HBy H 1 2.08 0.02 A 12 GLU HBx H 1 2.00 0.02 A 12 GLU HGx H 1 2.34 0.02 A 12 GLU HGy H 1 2.34 0.02 A 12 GLU C C 13 179.2 0.2 A 12 GLU CA C 13 59.9 0.2 A 12 GLU CB C 13 29.3 0.2 A 12 GLU CG C 13 36.7 0.2 A 12 GLU N N 15 119.0 0.2 A 13 ASP H H 1 7.96 0.02 A 13 ASP HA H 1 4.39 0.02 A 13 ASP HBy H 1 3.42 0.02 A 13 ASP HBx H 1 2.99 0.02 A 13 ASP C C 13 178.4 0.2 A 13 ASP CA C 13 57.4 0.2 A 13 ASP CB C 13 41.4 0.2 A 13 ASP N N 15 122.0 0.2 A 14 LEU H H 1 8.00 0.02 A 14 LEU HA H 1 3.56 0.02 A 14 LEU HBy H 1 1.84 0.02 A 14 LEU HBx H 1 1.33 0.02 A 14 LEU HD1% H 1 0.15 0.02 A 14 LEU HD2% H 1 0.59 0.02 A 14 LEU HG H 1 1.34 0.02 A 14 LEU C C 13 178.0 0.2 A 14 LEU CA C 13 58.0 0.2 A 14 LEU CB C 13 41.1 0.2 A 14 LEU CD1 C 13 23.3 0.2 A 14 LEU CD2 C 13 25.6 0.2 A 14 LEU CG C 13 26.5 0.2 A 14 LEU N N 15 120.9 0.2 A 15 GLU H H 1 8.05 0.02 A 15 GLU HA H 1 4.10 0.02 A 15 GLU HBy H 1 2.13 0.02 A 15 GLU HBx H 1 2.03 0.02 A 15 GLU HGy H 1 2.43 0.02 A 15 GLU HGx H 1 2.34 0.02 A 15 GLU C C 13 178.7 0.2 A 15 GLU CA C 13 59.2 0.2 A 15 GLU CB C 13 28.7 0.2 A 15 GLU CG C 13 34.9 0.2 A 15 GLU N N 15 118.7 0.2 A 16 THR H H 1 8.05 0.02 A 16 THR HA H 1 3.85 0.02 A 16 THR HB H 1 4.47 0.02 A 16 THR HG2% H 1 1.27 0.02 A 16 THR C C 13 177.1 0.2 A 16 THR CA C 13 67.1 0.2 A 16 THR CB C 13 68.8 0.2 A 16 THR CG2 C 13 21.7 0.2 A 16 THR N N 15 116.3 0.2 A 17 VAL H H 1 7.87 0.02 A 17 VAL HA H 1 3.46 0.02 A 17 VAL HB H 1 2.13 0.02 A 17 VAL HG1% H 1 0.70 0.02 A 17 VAL HG2% H 1 0.88 0.02 A 17 VAL C C 13 176.7 0.2 A 17 VAL CA C 13 67.0 0.2 A 17 VAL CB C 13 31.3 0.2 A 17 VAL CG1 C 13 21.1 0.2 A 17 VAL CG2 C 13 22.8 0.2 A 17 VAL N N 15 123.9 0.2 A 18 ILE H H 1 8.51 0.02 A 18 ILE HA H 1 3.11 0.02 A 18 ILE HB H 1 1.65 0.02 A 18 ILE HD1% H 1 0.73 0.02 A 18 ILE HG1y H 1 1.37 0.02 A 18 ILE HG1x H 1 0.07 0.02 A 18 ILE HG2% H 1 0.53 0.02 A 18 ILE C C 13 177.8 0.2 A 18 ILE CA C 13 67.0 0.2 A 18 ILE CB C 13 38.3 0.2 A 18 ILE CD1 C 13 18.8 0.2 A 18 ILE CG1 C 13 30.1 0.2 A 18 ILE CG2 C 13 13.3 0.2 A 18 ILE N N 15 121.0 0.2 A 19 ARG H H 1 8.38 0.02 A 19 ARG HA H 1 4.07 0.02 A 19 ARG HBy H 1 1.99 0.02 A 19 ARG HBx H 1 1.67 0.02 A 19 ARG HDx H 1 3.26 0.02 A 19 ARG HDy H 1 3.26 0.02 A 19 ARG HGx H 1 1.95 0.02 A 19 ARG HGy H 1 1.95 0.02 A 19 ARG C C 13 179.1 0.2 A 19 ARG CA C 13 60.0 0.2 A 19 ARG CB C 13 28.4 0.2 A 19 ARG CD C 13 43.4 0.2 A 19 ARG CG C 13 29.9 0.2 A 19 ARG N N 15 116.2 0.2 A 20 ALA H H 1 8.13 0.02 A 20 ALA HA H 1 4.26 0.02 A 20 ALA HB% H 1 1.68 0.02 A 20 ALA C C 13 181.1 0.2 A 20 ALA CA C 13 55.0 0.2 A 20 ALA CB C 13 18.9 0.2 A 20 ALA N N 15 121.3 0.2 A 21 VAL H H 1 8.61 0.02 A 21 VAL HA H 1 3.49 0.02 A 21 VAL HB H 1 2.38 0.02 A 21 VAL HG1% H 1 0.71 0.02 A 21 VAL HG2% H 1 1.16 0.02 A 21 VAL C C 13 177.7 0.2 A 21 VAL CA C 13 67.6 0.2 A 21 VAL CB C 13 31.2 0.2 A 21 VAL CG1 C 13 22.4 0.2 A 21 VAL CG2 C 13 24.5 0.2 A 21 VAL N N 15 122.1 0.2 A 22 TYR H H 1 8.16 0.02 A 22 TYR HA H 1 4.31 0.02 A 22 TYR HBx H 1 3.11 0.02 A 22 TYR HBy H 1 3.11 0.02 A 22 TYR HDx H 1 6.94 0.02 A 22 TYR HDy H 1 6.94 0.02 A 22 TYR HEx H 1 6.75 0.02 A 22 TYR HEy H 1 6.75 0.02 A 22 TYR CA C 13 60.9 0.2 A 22 TYR CDx C 13 131.7 0.2 A 22 TYR CDy C 13 131.7 0.2 A 22 TYR CEx C 13 118.6 0.2 A 22 TYR CEy C 13 118.6 0.2 A 22 TYR N N 15 119.0 0.2 A 25 VAL H H 1 8.80 0.02 A 25 VAL HA H 1 3.68 0.02 A 25 VAL HB H 1 1.96 0.02 A 25 VAL HGx% H 1 0.95 0.02 A 25 VAL CA C 13 65.1 0.2 A 25 VAL CB C 13 32.5 0.2 A 25 VAL CGx C 13 23.7 0.2 A 25 VAL N N 15 115.4 0.2 A 26 LEU HA H 1 4.75 0.02 A 26 LEU HBy H 1 2.10 0.02 A 26 LEU HBx H 1 1.52 0.02 A 26 LEU HDx% H 1 0.88 0.02 A 26 LEU HDy% H 1 0.88 0.02 A 26 LEU HG H 1 1.84 0.02 A 26 LEU CA C 13 53.8 0.2 A 26 LEU CB C 13 43.5 0.2 A 26 LEU CDx C 13 23.7 0.2 A 26 LEU CDy C 13 23.7 0.2 A 26 LEU CG C 13 27.6 0.2 A 37 LEU HA H 1 4.69 0.02 A 37 LEU HBx H 1 2.04 0.02 A 37 LEU HBy H 1 2.04 0.02 A 37 LEU HD1% H 1 1.09 0.02 A 37 LEU HD2% H 1 0.97 0.02 A 37 LEU HG H 1 1.89 0.02 A 37 LEU CA C 13 54.0 0.2 A 37 LEU CB C 13 39.7 0.2 A 37 LEU CD1 C 13 26.2 0.2 A 37 LEU CD2 C 13 24.4 0.2 A 37 LEU CG C 13 27.7 0.2 A 38 VAL HA H 1 3.60 0.02 A 38 VAL HB H 1 2.13 0.02 A 38 VAL HGx% H 1 1.00 0.02 A 38 VAL HGy% H 1 1.05 0.02 A 38 VAL C C 13 178.6 0.2 A 38 VAL CA C 13 66.9 0.2 A 38 VAL CB C 13 32.0 0.2 A 38 VAL CGy C 13 21.5 0.2 A 38 VAL CGx C 13 21.4 0.2 A 39 SER H H 1 7.45 0.02 A 39 SER HA H 1 4.29 0.02 A 39 SER HBx H 1 3.99 0.02 A 39 SER HBy H 1 3.99 0.02 A 39 SER C C 13 176.8 0.2 A 39 SER CA C 13 61.8 0.2 A 39 SER CB C 13 62.0 0.2 A 39 SER N N 15 120.4 0.2 A 40 ALA H H 1 7.69 0.02 A 40 ALA HA H 1 4.28 0.02 A 40 ALA HB% H 1 1.61 0.02 A 40 ALA C C 13 179.4 0.2 A 40 ALA CA C 13 55.3 0.2 A 40 ALA CB C 13 17.7 0.2 A 40 ALA N N 15 125.4 0.2 A 41 GLU H H 1 8.73 0.02 A 41 GLU HA H 1 3.50 0.02 A 41 GLU HBy H 1 2.14 0.02 A 41 GLU HBx H 1 2.02 0.02 A 41 GLU HGx H 1 2.07 0.02 A 41 GLU HGy H 1 2.07 0.02 A 41 GLU C C 13 179.0 0.2 A 41 GLU CA C 13 60.1 0.2 A 41 GLU CB C 13 29.9 0.2 A 41 GLU CG C 13 36.5 0.2 A 41 GLU N N 15 117.3 0.2 A 42 SER H H 1 8.14 0.02 A 42 SER HA H 1 4.21 0.02 A 42 SER HBx H 1 4.05 0.02 A 42 SER HBy H 1 4.05 0.02 A 42 SER C C 13 176.9 0.2 A 42 SER CA C 13 61.5 0.2 A 42 SER CB C 13 62.8 0.2 A 42 SER N N 15 113.5 0.2 A 43 LEU H H 1 7.61 0.02 A 43 LEU HA H 1 4.13 0.02 A 43 LEU HBy H 1 2.15 0.02 A 43 LEU HBx H 1 1.36 0.02 A 43 LEU HD1% H 1 0.94 0.02 A 43 LEU HD2% H 1 0.88 0.02 A 43 LEU HG H 1 1.97 0.02 A 43 LEU C C 13 179.1 0.2 A 43 LEU CA C 13 58.2 0.2 A 43 LEU CB C 13 42.2 0.2 A 43 LEU CD1 C 13 25.7 0.2 A 43 LEU CD2 C 13 22.7 0.2 A 43 LEU CG C 13 26.7 0.2 A 43 LEU N N 15 121.5 0.2 A 44 LEU H H 1 7.74 0.02 A 44 LEU HA H 1 4.05 0.02 A 44 LEU HBy H 1 1.76 0.02 A 44 LEU HBx H 1 1.03 0.02 A 44 LEU HD1% H 1 0.65 0.02 A 44 LEU HD2% H 1 0.10 0.02 A 44 LEU HG H 1 1.25 0.02 A 44 LEU C C 13 179.5 0.2 A 44 LEU CA C 13 58.1 0.2 A 44 LEU CB C 13 42.4 0.2 A 44 LEU CD1 C 13 23.5 0.2 A 44 LEU CD2 C 13 26.0 0.2 A 44 LEU CG C 13 25.5 0.2 A 44 LEU N N 15 122.2 0.2 A 45 ARG H H 1 8.62 0.02 A 45 ARG HA H 1 3.99 0.02 A 45 ARG HBx H 1 1.93 0.02 A 45 ARG HBy H 1 1.93 0.02 A 45 ARG HDy H 1 3.39 0.02 A 45 ARG HDx H 1 3.20 0.02 A 45 ARG HGy H 1 1.76 0.02 A 45 ARG HGx H 1 1.67 0.02 A 45 ARG C C 13 177.3 0.2 A 45 ARG CA C 13 58.9 0.2 A 45 ARG CB C 13 30.7 0.2 A 45 ARG CD C 13 43.1 0.2 A 45 ARG CG C 13 28.5 0.2 A 45 ARG N N 15 119.8 0.2 A 46 ASN H H 1 8.02 0.02 A 46 ASN HA H 1 4.92 0.02 A 46 ASN HBy H 1 3.06 0.02 A 46 ASN HBx H 1 2.85 0.02 A 46 ASN HD21 H 1 6.96 0.02 A 46 ASN HD22 H 1 7.52 0.02 A 46 ASN C C 13 175.5 0.2 A 46 ASN CA C 13 53.4 0.2 A 46 ASN CB C 13 39.2 0.2 A 46 ASN CG C 13 177.2 0.2 A 46 ASN N N 15 113.4 0.2 A 46 ASN ND2 N 15 112.6 0.2 A 47 GLY H H 1 8.15 0.02 A 47 GLY HAy H 1 4.62 0.02 A 47 GLY HAx H 1 4.25 0.02 A 47 GLY C C 13 175.6 0.2 A 47 GLY CA C 13 46.8 0.2 A 47 GLY N N 15 108.2 0.2 A 48 LYS H H 1 8.53 0.02 A 48 LYS HA H 1 4.36 0.02 A 48 LYS HBy H 1 2.04 0.02 A 48 LYS HBx H 1 1.92 0.02 A 48 LYS HDx H 1 1.68 0.02 A 48 LYS HDy H 1 1.68 0.02 A 48 LYS HEx H 1 3.02 0.02 A 48 LYS HEy H 1 3.02 0.02 A 48 LYS HGy H 1 1.60 0.02 A 48 LYS HGx H 1 1.39 0.02 A 48 LYS C C 13 176.9 0.2 A 48 LYS CA C 13 56.3 0.2 A 48 LYS CB C 13 33.8 0.2 A 48 LYS CD C 13 28.2 0.2 A 48 LYS CE C 13 42.3 0.2 A 48 LYS CG C 13 24.9 0.2 A 48 LYS N N 15 116.9 0.2 A 49 ILE H H 1 7.05 0.02 A 49 ILE HA H 1 5.01 0.02 A 49 ILE HB H 1 2.02 0.02 A 49 ILE HD1% H 1 0.96 0.02 A 49 ILE HG1y H 1 1.30 0.02 A 49 ILE HG1x H 1 0.65 0.02 A 49 ILE HG2% H 1 0.94 0.02 A 49 ILE C C 13 174.0 0.2 A 49 ILE CA C 13 58.7 0.2 A 49 ILE CB C 13 42.6 0.2 A 49 ILE CD1 C 13 13.1 0.2 A 49 ILE CG1 C 13 23.4 0.2 A 49 ILE CG2 C 13 17.7 0.2 A 49 ILE N N 15 108.0 0.2 A 50 THR H H 1 6.86 0.02 A 50 THR HA H 1 4.08 0.02 A 50 THR HB H 1 3.75 0.02 A 50 THR HG1 H 1 5.77 0.02 A 50 THR HG2% H 1 0.89 0.02 A 50 THR C C 13 175.5 0.2 A 50 THR CA C 13 59.2 0.2 A 50 THR CB C 13 70.0 0.2 A 50 THR CG2 C 13 21.4 0.2 A 50 THR N N 15 108.0 0.2 A 51 VAL H H 1 6.50 0.02 A 51 VAL HA H 1 3.48 0.02 A 51 VAL HB H 1 2.40 0.02 A 51 VAL HG1% H 1 0.69 0.02 A 51 VAL HG2% H 1 1.24 0.02 A 51 VAL C C 13 176.9 0.2 A 51 VAL CA C 13 67.4 0.2 A 51 VAL CB C 13 31.1 0.2 A 51 VAL CG1 C 13 21.1 0.2 A 51 VAL CG2 C 13 25.5 0.2 A 51 VAL N N 15 119.3 0.2 A 52 ARG H H 1 7.52 0.02 A 52 ARG HA H 1 3.91 0.02 A 52 ARG HBy H 1 2.20 0.02 A 52 ARG HBx H 1 1.73 0.02 A 52 ARG HDy H 1 3.09 0.02 A 52 ARG HDx H 1 3.03 0.02 A 52 ARG HGy H 1 1.39 0.02 A 52 ARG HGx H 1 0.99 0.02 A 52 ARG C C 13 177.2 0.2 A 52 ARG CA C 13 59.8 0.2 A 52 ARG CB C 13 31.5 0.2 A 52 ARG CD C 13 44.1 0.2 A 52 ARG CG C 13 26.6 0.2 A 52 ARG N N 15 122.1 0.2 A 53 GLU H H 1 7.30 0.02 A 53 GLU HA H 1 4.01 0.02 A 53 GLU HBy H 1 2.11 0.02 A 53 GLU HBx H 1 2.02 0.02 A 53 GLU HGy H 1 2.47 0.02 A 53 GLU HGx H 1 2.27 0.02 A 53 GLU C C 13 178.9 0.2 A 53 GLU CA C 13 57.4 0.2 A 53 GLU CB C 13 29.5 0.2 A 53 GLU CG C 13 35.3 0.2 A 53 GLU N N 15 115.2 0.2 A 54 PHE H H 1 8.24 0.02 A 54 PHE HA H 1 4.20 0.02 A 54 PHE HBy H 1 3.26 0.02 A 54 PHE HBx H 1 3.03 0.02 A 54 PHE HDx H 1 6.94 0.02 A 54 PHE HDy H 1 6.94 0.02 A 54 PHE C C 13 177.0 0.2 A 54 PHE CA C 13 61.8 0.2 A 54 PHE CB C 13 39.7 0.2 A 54 PHE CDx C 13 131.1 0.2 A 54 PHE CDy C 13 131.1 0.2 A 54 PHE N N 15 124.9 0.2 A 55 VAL H H 1 8.89 0.02 A 55 VAL HA H 1 2.99 0.02 A 55 VAL HB H 1 2.47 0.02 A 55 VAL HG1% H 1 0.80 0.02 A 55 VAL HG2% H 1 0.99 0.02 A 55 VAL C C 13 177.0 0.2 A 55 VAL CA C 13 67.6 0.2 A 55 VAL CB C 13 31.1 0.2 A 55 VAL CG1 C 13 21.3 0.2 A 55 VAL CG2 C 13 23.8 0.2 A 55 VAL N N 15 120.7 0.2 A 56 ARG H H 1 7.73 0.02 A 56 ARG HA H 1 3.29 0.02 A 56 ARG HBx H 1 1.72 0.02 A 56 ARG HBy H 1 1.72 0.02 A 56 ARG HDy H 1 3.09 0.02 A 56 ARG HDx H 1 2.93 0.02 A 56 ARG HGy H 1 1.72 0.02 A 56 ARG HGx H 1 1.56 0.02 A 56 ARG C C 13 176.5 0.2 A 56 ARG CA C 13 59.9 0.2 A 56 ARG CB C 13 31.0 0.2 A 56 ARG CD C 13 44.1 0.2 A 56 ARG CG C 13 26.8 0.2 A 56 ARG N N 15 118.5 0.2 A 57 ALA H H 1 7.53 0.02 A 57 ALA HA H 1 3.91 0.02 A 57 ALA HB% H 1 1.33 0.02 A 57 ALA C C 13 180.9 0.2 A 57 ALA CA C 13 54.6 0.2 A 57 ALA CB C 13 17.2 0.2 A 57 ALA N N 15 118.3 0.2 A 58 VAL H H 1 8.07 0.02 A 58 VAL HA H 1 3.36 0.02 A 58 VAL HB H 1 1.73 0.02 A 58 VAL HG1% H 1 0.87 0.02 A 58 VAL HG2% H 1 0.34 0.02 A 58 VAL C C 13 179.1 0.2 A 58 VAL CA C 13 66.9 0.2 A 58 VAL CB C 13 31.4 0.2 A 58 VAL CG1 C 13 22.3 0.2 A 58 VAL CG2 C 13 23.5 0.2 A 58 VAL N N 15 118.2 0.2 A 59 ALA H H 1 8.36 0.02 A 59 ALA HA H 1 3.29 0.02 A 59 ALA HB% H 1 0.85 0.02 A 59 ALA C C 13 174.4 0.2 A 59 ALA CA C 13 53.8 0.2 A 59 ALA CB C 13 18.6 0.2 A 59 ALA N N 15 124.0 0.2 A 60 LYS H H 1 7.01 0.02 A 60 LYS HA H 1 4.47 0.02 A 60 LYS HBy H 1 2.07 0.02 A 60 LYS HBx H 1 1.54 0.02 A 60 LYS HDy H 1 1.59 0.02 A 60 LYS HDx H 1 1.45 0.02 A 60 LYS HEy H 1 2.89 0.02 A 60 LYS HEx H 1 2.65 0.02 A 60 LYS HGy H 1 1.64 0.02 A 60 LYS HGx H 1 1.08 0.02 A 60 LYS C C 13 177.2 0.2 A 60 LYS CA C 13 56.8 0.2 A 60 LYS CB C 13 33.8 0.2 A 60 LYS CD C 13 30.2 0.2 A 60 LYS CE C 13 42.6 0.2 A 60 LYS CG C 13 27.9 0.2 A 60 LYS N N 15 108.6 0.2 A 61 SER H H 1 7.69 0.02 A 61 SER HA H 1 4.37 0.02 A 61 SER HBy H 1 4.49 0.02 A 61 SER HBx H 1 4.40 0.02 A 61 SER HG H 1 6.34 0.02 A 61 SER C C 13 174.9 0.2 A 61 SER CA C 13 59.3 0.2 A 61 SER CB C 13 66.2 0.2 A 61 SER N N 15 116.6 0.2 A 62 GLU H H 1 9.11 0.02 A 62 GLU HA H 1 4.77 0.02 A 62 GLU HBy H 1 2.22 0.02 A 62 GLU HBx H 1 2.07 0.02 A 62 GLU HGx H 1 2.52 0.02 A 62 GLU HGy H 1 2.52 0.02 A 62 GLU CA C 13 59.0 0.2 A 62 GLU CB C 13 29.0 0.2 A 62 GLU CG C 13 35.6 0.2 A 62 GLU N N 15 120.4 0.2 A 63 LEU HDx% H 1 0.87 0.02 A 63 LEU HDy% H 1 0.87 0.02 A 63 LEU CDx C 13 23.2 0.2 A 63 LEU CDy C 13 23.2 0.2 A 64 TYR HA H 1 3.72 0.02 A 64 TYR HBy H 1 3.34 0.02 A 64 TYR HBx H 1 3.05 0.02 A 64 TYR HDx H 1 7.01 0.02 A 64 TYR HDy H 1 7.01 0.02 A 64 TYR HEx H 1 7.06 0.02 A 64 TYR HEy H 1 7.06 0.02 A 64 TYR CA C 13 62.0 0.2 A 64 TYR CB C 13 40.0 0.2 A 64 TYR CDx C 13 134.5 0.2 A 64 TYR CDy C 13 134.5 0.2 A 64 TYR CEx C 13 117.9 0.2 A 64 TYR CEy C 13 117.9 0.2 A 65 LYS HA H 1 3.52 0.02 A 65 LYS HDy H 1 1.51 0.02 A 65 LYS HDx H 1 1.42 0.02 A 65 LYS HEy H 1 2.80 0.02 A 65 LYS HEx H 1 2.60 0.02 A 65 LYS CA C 13 59.7 0.2 A 65 LYS CD C 13 29.4 0.2 A 65 LYS CE C 13 41.8 0.2 A 68 PHE HA H 1 4.75 0.02 A 68 PHE HBy H 1 3.08 0.02 A 68 PHE HBx H 1 2.21 0.02 A 68 PHE HDx H 1 6.33 0.02 A 68 PHE HDy H 1 6.33 0.02 A 68 PHE HEx H 1 7.45 0.02 A 68 PHE HEy H 1 7.45 0.02 A 68 PHE CB C 13 41.3 0.2 A 68 PHE CDx C 13 132.5 0.2 A 68 PHE CDy C 13 132.5 0.2 A 68 PHE CEx C 13 131.9 0.2 A 68 PHE CEy C 13 131.9 0.2 A 69 LEU HA H 1 4.70 0.02 A 69 LEU HBy H 1 1.60 0.02 A 69 LEU HBx H 1 0.88 0.02 A 69 LEU HD1% H 1 1.09 0.02 A 69 LEU HD2% H 1 0.33 0.02 A 69 LEU HG H 1 1.30 0.02 A 69 LEU CA C 13 56.6 0.2 A 69 LEU CB C 13 44.4 0.2 A 69 LEU CD1 C 13 24.3 0.2 A 69 LEU CD2 C 13 25.2 0.2 A 69 LEU CG C 13 27.7 0.2 A 73 PHE HA H 1 4.80 0.02 A 73 PHE HBy H 1 3.36 0.02 A 73 PHE HBx H 1 3.04 0.02 A 73 PHE HDx H 1 7.45 0.02 A 73 PHE HDy H 1 7.45 0.02 A 73 PHE HEx H 1 7.38 0.02 A 73 PHE HEy H 1 7.38 0.02 A 73 PHE CB C 13 39.8 0.2 A 73 PHE CDx C 13 131.9 0.2 A 73 PHE CDy C 13 131.9 0.2 A 73 PHE CEx C 13 130.3 0.2 A 73 PHE CEy C 13 130.3 0.2 A 74 GLN HA H 1 3.94 0.02 A 74 GLN HBx H 1 2.26 0.02 A 74 GLN HBy H 1 2.26 0.02 A 74 GLN HE2x H 1 5.93 0.02 A 74 GLN HE2y H 1 6.74 0.02 A 74 GLN HGx H 1 2.23 0.02 A 74 GLN HGy H 1 2.23 0.02 A 74 GLN CA C 13 59.3 0.2 A 74 GLN CB C 13 31.7 0.2 A 74 GLN NE2 N 15 107.8 0.2 A 75 THR H H 1 8.20 0.02 A 75 THR HA H 1 3.84 0.02 A 75 THR HB H 1 4.23 0.02 A 75 THR HG2% H 1 1.34 0.02 A 75 THR CA C 13 66.8 0.2 A 75 THR CB C 13 67.9 0.2 A 75 THR CG2 C 13 23.0 0.2 A 75 THR N N 15 109.5 0.2 A 76 ARG H H 1 6.96 0.02 A 76 ARG HA H 1 4.26 0.02 A 76 ARG CA C 13 57.6 0.2 A 76 ARG N N 15 121.5 0.2 A 77 VAL H H 1 7.64 0.02 A 77 VAL HA H 1 3.42 0.02 A 77 VAL HB H 1 2.27 0.02 A 77 VAL HG1% H 1 1.08 0.02 A 77 VAL HG2% H 1 1.24 0.02 A 77 VAL C C 13 177.4 0.2 A 77 VAL CA C 13 66.9 0.2 A 77 VAL CB C 13 31.5 0.2 A 77 VAL CG1 C 13 20.9 0.2 A 77 VAL CG2 C 13 23.0 0.2 A 77 VAL N N 15 120.4 0.2 A 78 ILE H H 1 8.00 0.02 A 78 ILE HA H 1 3.73 0.02 A 78 ILE HB H 1 2.09 0.02 A 78 ILE HD1% H 1 0.99 0.02 A 78 ILE HG1y H 1 1.81 0.02 A 78 ILE HG1x H 1 1.48 0.02 A 78 ILE HG2% H 1 1.35 0.02 A 78 ILE C C 13 178.1 0.2 A 78 ILE CA C 13 65.2 0.2 A 78 ILE CB C 13 37.9 0.2 A 78 ILE CD1 C 13 14.6 0.2 A 78 ILE CG1 C 13 29.7 0.2 A 78 ILE CG2 C 13 18.8 0.2 A 78 ILE N N 15 118.1 0.2 A 79 GLU H H 1 7.66 0.02 A 79 GLU HA H 1 3.74 0.02 A 79 GLU HBy H 1 2.33 0.02 A 79 GLU HBx H 1 2.10 0.02 A 79 GLU HGy H 1 2.52 0.02 A 79 GLU HGx H 1 2.07 0.02 A 79 GLU C C 13 179.3 0.2 A 79 GLU CA C 13 60.8 0.2 A 79 GLU CB C 13 29.8 0.2 A 79 GLU CG C 13 36.5 0.2 A 79 GLU N N 15 119.0 0.2 A 80 LEU H H 1 8.18 0.02 A 80 LEU HA H 1 3.54 0.02 A 80 LEU HBy H 1 1.92 0.02 A 80 LEU HBx H 1 0.55 0.02 A 80 LEU HD1% H 1 0.88 0.02 A 80 LEU HD2% H 1 0.62 0.02 A 80 LEU HG H 1 1.66 0.02 A 80 LEU C C 13 177.4 0.2 A 80 LEU CA C 13 57.6 0.2 A 80 LEU CB C 13 40.9 0.2 A 80 LEU CD1 C 13 26.1 0.2 A 80 LEU CD2 C 13 22.6 0.2 A 80 LEU CG C 13 27.0 0.2 A 80 LEU N N 15 120.7 0.2 A 81 ASN H H 1 8.91 0.02 A 81 ASN HA H 1 3.91 0.02 A 81 ASN HBy H 1 2.58 0.02 A 81 ASN HBx H 1 1.06 0.02 A 81 ASN HD2x H 1 6.13 0.02 A 81 ASN HD2y H 1 6.41 0.02 A 81 ASN C C 13 177.7 0.2 A 81 ASN CA C 13 55.6 0.2 A 81 ASN CB C 13 36.6 0.2 A 81 ASN CG C 13 177.2 0.2 A 81 ASN N N 15 120.5 0.2 A 81 ASN ND2 N 15 106.8 0.2 A 82 TYR H H 1 8.22 0.02 A 82 TYR HA H 1 3.47 0.02 A 82 TYR HBy H 1 3.56 0.02 A 82 TYR HBx H 1 2.85 0.02 A 82 TYR HDx H 1 6.99 0.02 A 82 TYR HDy H 1 6.99 0.02 A 82 TYR HEx H 1 6.69 0.02 A 82 TYR HEy H 1 6.69 0.02 A 82 TYR C C 13 178.5 0.2 A 82 TYR CA C 13 64.8 0.2 A 82 TYR CB C 13 37.0 0.2 A 82 TYR CDx C 13 132.9 0.2 A 82 TYR CDy C 13 132.9 0.2 A 82 TYR CEx C 13 118.0 0.2 A 82 TYR CEy C 13 118.0 0.2 A 82 TYR N N 15 119.4 0.2 A 83 LYS H H 1 7.48 0.02 A 83 LYS HA H 1 3.72 0.02 A 83 LYS HBy H 1 1.74 0.02 A 83 LYS HBx H 1 1.66 0.02 A 83 LYS HDy H 1 1.51 0.02 A 83 LYS HDx H 1 1.43 0.02 A 83 LYS HEx H 1 2.82 0.02 A 83 LYS HEy H 1 2.82 0.02 A 83 LYS HGy H 1 1.42 0.02 A 83 LYS HGx H 1 1.09 0.02 A 83 LYS C C 13 179.2 0.2 A 83 LYS CA C 13 60.5 0.2 A 83 LYS CB C 13 32.5 0.2 A 83 LYS CD C 13 29.6 0.2 A 83 LYS CE C 13 42.0 0.2 A 83 LYS CG C 13 25.1 0.2 A 83 LYS N N 15 119.7 0.2 A 84 HIS H H 1 8.70 0.02 A 84 HIS HA H 1 4.35 0.02 A 84 HIS HBy H 1 3.20 0.02 A 84 HIS HBx H 1 3.11 0.02 A 84 HIS C C 13 175.8 0.2 A 84 HIS CA C 13 57.9 0.2 A 84 HIS CB C 13 30.5 0.2 A 84 HIS N N 15 115.8 0.2 A 85 LEU H H 1 8.32 0.02 A 85 LEU HA H 1 4.35 0.02 A 85 LEU HBy H 1 1.55 0.02 A 85 LEU HBx H 1 1.12 0.02 A 85 LEU HD1% H 1 0.41 0.02 A 85 LEU HD2% H 1 0.53 0.02 A 85 LEU HG H 1 1.66 0.02 A 85 LEU C C 13 175.0 0.2 A 85 LEU CA C 13 55.5 0.2 A 85 LEU CB C 13 41.9 0.2 A 85 LEU CD1 C 13 25.0 0.2 A 85 LEU CD2 C 13 22.3 0.2 A 85 LEU CG C 13 27.2 0.2 A 85 LEU N N 15 112.4 0.2 A 86 LEU H H 1 7.24 0.02 A 86 LEU HA H 1 4.99 0.02 A 86 LEU HBy H 1 1.97 0.02 A 86 LEU HBx H 1 1.50 0.02 A 86 LEU HD1% H 1 0.95 0.02 A 86 LEU HD2% H 1 1.05 0.02 A 86 LEU HG H 1 1.56 0.02 A 86 LEU C C 13 177.9 0.2 A 86 LEU CA C 13 53.2 0.2 A 86 LEU CB C 13 44.9 0.2 A 86 LEU CD1 C 13 26.5 0.2 A 86 LEU CD2 C 13 23.8 0.2 A 86 LEU CG C 13 27.8 0.2 A 86 LEU N N 15 110.2 0.2 A 87 GLY H H 1 7.38 0.02 A 87 GLY HAy H 1 4.39 0.02 A 87 GLY HAx H 1 3.92 0.02 A 87 GLY C C 13 174.0 0.2 A 87 GLY CA C 13 47.0 0.2 A 87 GLY N N 15 108.0 0.2 A 88 ARG H H 1 7.62 0.02 A 88 ARG HA H 1 4.63 0.02 A 88 ARG HBy H 1 1.77 0.02 A 88 ARG HBx H 1 1.61 0.02 A 88 ARG C C 13 172.4 0.2 A 88 ARG CA C 13 54.7 0.2 A 88 ARG CB C 13 32.0 0.2 A 88 ARG CD C 13 43.2 0.2 A 88 ARG N N 15 113.1 0.2 A 89 ALA H H 1 7.86 0.02 A 89 ALA HA H 1 4.82 0.02 A 89 ALA HB% H 1 1.29 0.02 A 89 ALA CA C 13 49.6 0.2 A 89 ALA CB C 13 18.1 0.2 A 89 ALA N N 15 119.6 0.2 A 90 PRO HA H 1 3.45 0.02 A 90 PRO HBx H 1 1.54 0.02 A 90 PRO HBy H 1 1.54 0.02 A 90 PRO HDx H 1 3.54 0.02 A 90 PRO HDy H 1 3.54 0.02 A 90 PRO HGy H 1 1.84 0.02 A 90 PRO HGx H 1 1.32 0.02 A 90 PRO C C 13 176.8 0.2 A 90 PRO CA C 13 62.3 0.2 A 90 PRO CB C 13 31.0 0.2 A 90 PRO CD C 13 49.8 0.2 A 90 PRO CG C 13 27.3 0.2 A 91 TYR H H 1 9.56 0.02 A 91 TYR HA H 1 4.43 0.02 A 91 TYR HBy H 1 2.99 0.02 A 91 TYR HBx H 1 2.74 0.02 A 91 TYR HDx H 1 7.04 0.02 A 91 TYR HDy H 1 7.04 0.02 A 91 TYR HEx H 1 6.74 0.02 A 91 TYR HEy H 1 6.74 0.02 A 91 TYR C C 13 176.3 0.2 A 91 TYR CA C 13 58.6 0.2 A 91 TYR CB C 13 39.3 0.2 A 91 TYR CDx C 13 132.7 0.2 A 91 TYR CDy C 13 132.7 0.2 A 91 TYR CEx C 13 118.0 0.2 A 91 TYR CEy C 13 118.0 0.2 A 91 TYR N N 15 123.1 0.2 A 92 ASP H H 1 7.40 0.02 A 92 ASP HA H 1 4.62 0.02 A 92 ASP HBy H 1 2.97 0.02 A 92 ASP HBx H 1 2.91 0.02 A 92 ASP C C 13 175.7 0.2 A 92 ASP CA C 13 52.9 0.2 A 92 ASP CB C 13 42.8 0.2 A 92 ASP N N 15 112.5 0.2 A 93 GLU H H 1 8.81 0.02 A 93 GLU HA H 1 4.10 0.02 A 93 GLU HBx H 1 2.10 0.02 A 93 GLU HBy H 1 2.10 0.02 A 93 GLU HGx H 1 2.39 0.02 A 93 GLU HGy H 1 2.39 0.02 A 93 GLU C C 13 178.0 0.2 A 93 GLU CA C 13 59.2 0.2 A 93 GLU CB C 13 29.8 0.2 A 93 GLU CG C 13 36.5 0.2 A 93 GLU N N 15 118.8 0.2 A 94 SER H H 1 8.65 0.02 A 94 SER HA H 1 4.21 0.02 A 94 SER HBx H 1 4.00 0.02 A 94 SER HBy H 1 4.00 0.02 A 94 SER C C 13 177.8 0.2 A 94 SER CA C 13 62.3 0.2 A 94 SER CB C 13 62.2 0.2 A 94 SER N N 15 117.0 0.2 A 95 GLU H H 1 7.71 0.02 A 95 GLU HA H 1 4.36 0.02 A 95 GLU HBy H 1 2.56 0.02 A 95 GLU HBx H 1 2.26 0.02 A 95 GLU HGy H 1 2.63 0.02 A 95 GLU HGx H 1 2.30 0.02 A 95 GLU C C 13 178.3 0.2 A 95 GLU CA C 13 60.5 0.2 A 95 GLU CB C 13 30.2 0.2 A 95 GLU CG C 13 39.1 0.2 A 95 GLU N N 15 122.8 0.2 A 96 VAL H H 1 6.98 0.02 A 96 VAL HA H 1 3.90 0.02 A 96 VAL HB H 1 2.40 0.02 A 96 VAL HG1% H 1 1.09 0.02 A 96 VAL HG2% H 1 1.36 0.02 A 96 VAL C C 13 178.1 0.2 A 96 VAL CA C 13 67.3 0.2 A 96 VAL CB C 13 32.0 0.2 A 96 VAL CG1 C 13 21.4 0.2 A 96 VAL CG2 C 13 18.8 0.2 A 96 VAL N N 15 119.1 0.2 A 97 ILE H H 1 8.63 0.02 A 97 ILE HA H 1 3.72 0.02 A 97 ILE HB H 1 1.92 0.02 A 97 ILE HD1% H 1 0.85 0.02 A 97 ILE HG1y H 1 1.74 0.02 A 97 ILE HG1x H 1 1.31 0.02 A 97 ILE HG2% H 1 0.99 0.02 A 97 ILE C C 13 177.4 0.2 A 97 ILE CA C 13 65.1 0.2 A 97 ILE CB C 13 38.1 0.2 A 97 ILE CD1 C 13 12.9 0.2 A 97 ILE CG1 C 13 29.5 0.2 A 97 ILE CG2 C 13 17.4 0.2 A 97 ILE N N 15 119.8 0.2 A 98 PHE H H 1 7.79 0.02 A 98 PHE HA H 1 4.24 0.02 A 98 PHE HBy H 1 3.33 0.02 A 98 PHE HBx H 1 3.14 0.02 A 98 PHE HDx H 1 6.58 0.02 A 98 PHE HDy H 1 6.58 0.02 A 98 PHE HEx H 1 7.01 0.02 A 98 PHE HEy H 1 7.01 0.02 A 98 PHE HZ H 1 7.18 0.02 A 98 PHE C C 13 178.1 0.2 A 98 PHE CA C 13 61.6 0.2 A 98 PHE CB C 13 39.2 0.2 A 98 PHE CDx C 13 131.5 0.2 A 98 PHE CDy C 13 131.5 0.2 A 98 PHE CEx C 13 131.5 0.2 A 98 PHE CEy C 13 131.5 0.2 A 98 PHE CZ C 13 130.0 0.2 A 98 PHE N N 15 118.8 0.2 A 99 HIS H H 1 7.53 0.02 A 99 HIS HA H 1 4.12 0.02 A 99 HIS HBy H 1 3.70 0.02 A 99 HIS HBx H 1 3.36 0.02 A 99 HIS HD2 H 1 8.42 0.02 A 99 HIS C C 13 176.7 0.2 A 99 HIS CA C 13 59.7 0.2 A 99 HIS CB C 13 29.3 0.2 A 99 HIS CD2 C 13 121.5 0.2 A 99 HIS N N 15 116.6 0.2 A 100 LEU H H 1 9.17 0.02 A 100 LEU HA H 1 4.08 0.02 A 100 LEU HBy H 1 1.91 0.02 A 100 LEU HBx H 1 1.70 0.02 A 100 LEU HD1% H 1 0.89 0.02 A 100 LEU HD2% H 1 0.85 0.02 A 100 LEU HG H 1 1.79 0.02 A 100 LEU C C 13 179.0 0.2 A 100 LEU CA C 13 58.9 0.2 A 100 LEU CB C 13 42.1 0.2 A 100 LEU CD1 C 13 25.5 0.2 A 100 LEU CD2 C 13 24.2 0.2 A 100 LEU CG C 13 26.5 0.2 A 100 LEU N N 15 125.8 0.2 A 101 ASP H H 1 8.25 0.02 A 101 ASP HA H 1 4.32 0.02 A 101 ASP HBy H 1 2.66 0.02 A 101 ASP HBx H 1 2.48 0.02 A 101 ASP C C 13 178.1 0.2 A 101 ASP CA C 13 57.3 0.2 A 101 ASP CB C 13 40.6 0.2 A 101 ASP N N 15 119.5 0.2 A 102 LEU H H 1 7.49 0.02 A 102 LEU HA H 1 4.01 0.02 A 102 LEU HBy H 1 1.60 0.02 A 102 LEU HBx H 1 1.18 0.02 A 102 LEU HD1% H 1 0.73 0.02 A 102 LEU HD2% H 1 0.87 0.02 A 102 LEU HG H 1 1.27 0.02 A 102 LEU C C 13 178.9 0.2 A 102 LEU CA C 13 58.9 0.2 A 102 LEU CB C 13 41.9 0.2 A 102 LEU CD1 C 13 24.7 0.2 A 102 LEU CD2 C 13 25.8 0.2 A 102 LEU CG C 13 27.7 0.2 A 102 LEU N N 15 122.0 0.2 A 103 TYR H H 1 8.68 0.02 A 103 TYR HA H 1 3.94 0.02 A 103 TYR HBx H 1 3.21 0.02 A 103 TYR HBy H 1 3.21 0.02 A 103 TYR HDx H 1 7.08 0.02 A 103 TYR HDy H 1 7.08 0.02 A 103 TYR HEx H 1 6.96 0.02 A 103 TYR HEy H 1 6.96 0.02 A 103 TYR C C 13 178.5 0.2 A 103 TYR CA C 13 61.3 0.2 A 103 TYR CB C 13 38.8 0.2 A 103 TYR CDx C 13 132.4 0.2 A 103 TYR CDy C 13 132.4 0.2 A 103 TYR CEx C 13 118.4 0.2 A 103 TYR CEy C 13 118.4 0.2 A 103 TYR N N 15 119.5 0.2 A 104 GLU H H 1 8.46 0.02 A 104 GLU HA H 1 3.78 0.02 A 104 GLU HBy H 1 2.20 0.02 A 104 GLU HBx H 1 2.05 0.02 A 104 GLU HGy H 1 2.45 0.02 A 104 GLU HGx H 1 2.35 0.02 A 104 GLU C C 13 177.9 0.2 A 104 GLU CA C 13 59.4 0.2 A 104 GLU CB C 13 29.9 0.2 A 104 GLU CG C 13 36.5 0.2 A 104 GLU N N 15 118.9 0.2 A 105 ASN H H 1 8.14 0.02 A 105 ASN HA H 1 4.63 0.02 A 105 ASN HBy H 1 2.85 0.02 A 105 ASN HBx H 1 2.72 0.02 A 105 ASN HD21 H 1 6.92 0.02 A 105 ASN HD22 H 1 7.61 0.02 A 105 ASN C C 13 176.7 0.2 A 105 ASN CA C 13 55.7 0.2 A 105 ASN CB C 13 40.3 0.2 A 105 ASN CG C 13 176.5 0.2 A 105 ASN N N 15 114.2 0.2 A 105 ASN ND2 N 15 115.4 0.2 A 106 GLU H H 1 8.82 0.02 A 106 GLU HA H 1 4.59 0.02 A 106 GLU HBy H 1 2.10 0.02 A 106 GLU HBx H 1 1.76 0.02 A 106 GLU HGy H 1 2.16 0.02 A 106 GLU HGx H 1 2.06 0.02 A 106 GLU C C 13 177.4 0.2 A 106 GLU CA C 13 56.4 0.2 A 106 GLU CB C 13 32.3 0.2 A 106 GLU CG C 13 36.2 0.2 A 106 GLU N N 15 116.5 0.2 A 107 GLY H H 1 7.93 0.02 A 107 GLY HAy H 1 4.46 0.02 A 107 GLY HAx H 1 3.75 0.02 A 107 GLY C C 13 173.0 0.2 A 107 GLY CA C 13 44.5 0.2 A 107 GLY N N 15 110.6 0.2 A 108 PHE H H 1 8.68 0.02 A 108 PHE HA H 1 4.13 0.02 A 108 PHE HBy H 1 3.47 0.02 A 108 PHE HBx H 1 3.12 0.02 A 108 PHE HDx H 1 7.48 0.02 A 108 PHE HDy H 1 7.48 0.02 A 108 PHE HEx H 1 7.45 0.02 A 108 PHE HEy H 1 7.45 0.02 A 108 PHE C C 13 176.1 0.2 A 108 PHE CA C 13 63.0 0.2 A 108 PHE CB C 13 40.6 0.2 A 108 PHE CDx C 13 132.8 0.2 A 108 PHE CDy C 13 132.8 0.2 A 108 PHE CEx C 13 132.9 0.2 A 108 PHE CEy C 13 132.9 0.2 A 108 PHE N N 15 118.2 0.2 A 109 ASP H H 1 8.43 0.02 A 109 ASP HA H 1 3.92 0.02 A 109 ASP HBy H 1 2.65 0.02 A 109 ASP HBx H 1 2.55 0.02 A 109 ASP C C 13 177.2 0.2 A 109 ASP CA C 13 58.2 0.2 A 109 ASP CB C 13 39.9 0.2 A 109 ASP N N 15 119.3 0.2 A 110 ALA H H 1 7.87 0.02 A 110 ALA HA H 1 4.02 0.02 A 110 ALA HB% H 1 1.27 0.02 A 110 ALA C C 13 180.9 0.2 A 110 ALA CA C 13 54.3 0.2 A 110 ALA CB C 13 19.3 0.2 A 110 ALA N N 15 120.3 0.2 A 111 ASP H H 1 7.80 0.02 A 111 ASP HA H 1 4.65 0.02 A 111 ASP HBy H 1 2.70 0.02 A 111 ASP HBx H 1 2.41 0.02 A 111 ASP C C 13 178.9 0.2 A 111 ASP CA C 13 58.2 0.2 A 111 ASP CB C 13 41.3 0.2 A 111 ASP N N 15 118.3 0.2 A 112 ILE H H 1 8.33 0.02 A 112 ILE HA H 1 3.71 0.02 A 112 ILE HB H 1 2.00 0.02 A 112 ILE HD1% H 1 0.22 0.02 A 112 ILE HG1y H 1 0.71 0.02 A 112 ILE HG1x H 1 0.54 0.02 A 112 ILE HG2% H 1 0.52 0.02 A 112 ILE C C 13 178.2 0.2 A 112 ILE CA C 13 61.6 0.2 A 112 ILE CB C 13 34.2 0.2 A 112 ILE CD1 C 13 7.8 0.2 A 112 ILE CG1 C 13 26.5 0.2 A 112 ILE CG2 C 13 19.0 0.2 A 112 ILE N N 15 120.1 0.2 A 113 ASP H H 1 7.73 0.02 A 113 ASP HA H 1 3.97 0.02 A 113 ASP HBy H 1 2.66 0.02 A 113 ASP HBx H 1 2.56 0.02 A 113 ASP C C 13 176.7 0.2 A 113 ASP CA C 13 57.8 0.2 A 113 ASP CB C 13 39.7 0.2 A 113 ASP N N 15 116.7 0.2 A 114 SER H H 1 7.50 0.02 A 114 SER HA H 1 4.09 0.02 A 114 SER HBx H 1 3.88 0.02 A 114 SER HBy H 1 3.88 0.02 A 114 SER HG H 1 5.79 0.02 A 114 SER C C 13 177.9 0.2 A 114 SER CA C 13 62.2 0.2 A 114 SER CB C 13 62.7 0.2 A 114 SER N N 15 115.0 0.2 A 115 TYR H H 1 7.22 0.02 A 115 TYR HA H 1 4.25 0.02 A 115 TYR HBx H 1 2.71 0.02 A 115 TYR HBy H 1 2.71 0.02 A 115 TYR HDx H 1 6.97 0.02 A 115 TYR HDy H 1 6.97 0.02 A 115 TYR C C 13 178.9 0.2 A 115 TYR CA C 13 60.9 0.2 A 115 TYR CB C 13 39.0 0.2 A 115 TYR N N 15 119.4 0.2 A 116 ILE H H 1 6.96 0.02 A 116 ILE HA H 1 3.16 0.02 A 116 ILE HB H 1 1.49 0.02 A 116 ILE HD1% H 1 0.52 0.02 A 116 ILE HG1y H 1 1.34 0.02 A 116 ILE HG1x H 1 1.00 0.02 A 116 ILE HG2% H 1 0.26 0.02 A 116 ILE C C 13 175.6 0.2 A 116 ILE CA C 13 62.2 0.2 A 116 ILE CB C 13 38.6 0.2 A 116 ILE CD1 C 13 13.3 0.2 A 116 ILE CG1 C 13 28.7 0.2 A 116 ILE CG2 C 13 17.9 0.2 A 116 ILE N N 15 118.7 0.2 A 117 ASP H H 1 8.58 0.02 A 117 ASP HA H 1 4.62 0.02 A 117 ASP HBy H 1 2.75 0.02 A 117 ASP HBx H 1 2.43 0.02 A 117 ASP C C 13 176.4 0.2 A 117 ASP CA C 13 54.4 0.2 A 117 ASP CB C 13 40.2 0.2 A 117 ASP N N 15 116.7 0.2 A 118 SER H H 1 7.22 0.02 A 118 SER HA H 1 4.56 0.02 A 118 SER HBy H 1 4.56 0.02 A 118 SER HBx H 1 4.43 0.02 A 118 SER CA C 13 57.4 0.2 A 118 SER CB C 13 63.5 0.2 A 118 SER N N 15 117.4 0.2 A 119 PRO HA H 1 4.38 0.02 A 119 PRO HBx H 1 1.95 0.02 A 119 PRO HBy H 1 2.37 0.02 A 119 PRO HDx H 1 3.95 0.02 A 119 PRO HDy H 1 3.95 0.02 A 119 PRO HGy H 1 2.20 0.02 A 119 PRO HGx H 1 2.08 0.02 A 119 PRO C C 13 178.3 0.2 A 119 PRO CA C 13 64.8 0.2 A 119 PRO CB C 13 31.5 0.2 A 119 PRO CD C 13 50.7 0.2 A 119 PRO CG C 13 27.9 0.2 A 120 GLU H H 1 7.90 0.02 A 120 GLU HA H 1 3.96 0.02 A 120 GLU HBy H 1 2.17 0.02 A 120 GLU HBx H 1 1.83 0.02 A 120 GLU HGy H 1 2.34 0.02 A 120 GLU HGx H 1 1.95 0.02 A 120 GLU C C 13 178.5 0.2 A 120 GLU CA C 13 59.5 0.2 A 120 GLU CB C 13 29.3 0.2 A 120 GLU CG C 13 35.5 0.2 A 120 GLU N N 15 116.5 0.2 A 121 TYR H H 1 8.18 0.02 A 121 TYR HA H 1 3.64 0.02 A 121 TYR HBy H 1 3.39 0.02 A 121 TYR HBx H 1 3.11 0.02 A 121 TYR C C 13 179.6 0.2 A 121 TYR CA C 13 62.2 0.2 A 121 TYR CB C 13 38.5 0.2 A 121 TYR N N 15 123.6 0.2 A 122 THR H H 1 8.55 0.02 A 122 THR HA H 1 3.74 0.02 A 122 THR HB H 1 4.44 0.02 A 122 THR HG2% H 1 1.29 0.02 A 122 THR C C 13 175.4 0.2 A 122 THR CA C 13 67.2 0.2 A 122 THR CB C 13 68.6 0.2 A 122 THR CG2 C 13 22.6 0.2 A 122 THR N N 15 117.4 0.2 A 123 ASN H H 1 8.69 0.02 A 123 ASN HA H 1 4.41 0.02 A 123 ASN HBx H 1 2.74 0.02 A 123 ASN HBy H 1 2.74 0.02 A 123 ASN HD21 H 1 6.90 0.02 A 123 ASN HD22 H 1 7.55 0.02 A 123 ASN C C 13 176.3 0.2 A 123 ASN CA C 13 55.6 0.2 A 123 ASN CB C 13 38.8 0.2 A 123 ASN CG C 13 176.4 0.2 A 123 ASN N N 15 117.5 0.2 A 123 ASN ND2 N 15 112.8 0.2 A 124 SER H H 1 7.78 0.02 A 124 SER HA H 1 4.03 0.02 A 124 SER HBy H 1 2.43 0.02 A 124 SER HBx H 1 2.31 0.02 A 124 SER C C 13 173.7 0.2 A 124 SER CA C 13 61.4 0.2 A 124 SER CB C 13 62.1 0.2 A 124 SER N N 15 114.9 0.2 A 125 PHE H H 1 8.00 0.02 A 125 PHE HA H 1 4.86 0.02 A 125 PHE HBy H 1 3.36 0.02 A 125 PHE HBx H 1 2.29 0.02 A 125 PHE HEx H 1 6.83 0.02 A 125 PHE HEy H 1 6.83 0.02 A 125 PHE C C 13 175.9 0.2 A 125 PHE CA C 13 55.5 0.2 A 125 PHE CB C 13 40.3 0.2 A 125 PHE CEx C 13 128.6 0.2 A 125 PHE CEy C 13 128.6 0.2 A 125 PHE N N 15 119.2 0.2 A 126 GLY H H 1 7.77 0.02 A 126 GLY HAy H 1 4.18 0.02 A 126 GLY HAx H 1 4.02 0.02 A 126 GLY C C 13 173.1 0.2 A 126 GLY CA C 13 46.4 0.2 A 126 GLY N N 15 106.3 0.2 A 127 ASP H H 1 8.50 0.02 A 127 ASP HA H 1 4.63 0.02 A 127 ASP HBy H 1 2.03 0.02 A 127 ASP HBx H 1 1.59 0.02 A 127 ASP C C 13 178.0 0.2 A 127 ASP CA C 13 56.4 0.2 A 127 ASP CB C 13 41.6 0.2 A 127 ASP N N 15 119.8 0.2 A 128 TRP H H 1 8.72 0.02 A 128 TRP HA H 1 5.17 0.02 A 128 TRP HBy H 1 4.22 0.02 A 128 TRP HBx H 1 3.11 0.02 A 128 TRP HD1 H 1 7.42 0.02 A 128 TRP HE1 H 1 10.37 0.02 A 128 TRP HE3 H 1 7.82 0.02 A 128 TRP HH2 H 1 7.37 0.02 A 128 TRP HZ2 H 1 7.68 0.02 A 128 TRP HZ3 H 1 7.21 0.02 A 128 TRP C C 13 174.0 0.2 A 128 TRP CA C 13 57.3 0.2 A 128 TRP CB C 13 32.2 0.2 A 128 TRP CD1 C 13 128.8 0.2 A 128 TRP CE3 C 13 120.3 0.2 A 128 TRP CH2 C 13 125.4 0.2 A 128 TRP CZ2 C 13 116.3 0.2 A 128 TRP CZ3 C 13 121.5 0.2 A 128 TRP N N 15 116.3 0.2 A 128 TRP NE1 N 15 129.2 0.2 A 129 VAL H H 1 7.10 0.02 A 129 VAL HA H 1 4.66 0.02 A 129 VAL HB H 1 2.75 0.02 A 129 VAL HG1% H 1 1.21 0.02 A 129 VAL HG2% H 1 1.08 0.02 A 129 VAL C C 13 175.5 0.2 A 129 VAL CA C 13 61.2 0.2 A 129 VAL CB C 13 33.1 0.2 A 129 VAL CG1 C 13 21.2 0.2 A 129 VAL CG2 C 13 22.5 0.2 A 129 VAL N N 15 118.9 0.2 A 130 VAL H H 1 8.62 0.02 A 130 VAL HA H 1 3.59 0.02 A 130 VAL HB H 1 2.22 0.02 A 130 VAL HG1% H 1 0.95 0.02 A 130 VAL HG2% H 1 0.95 0.02 A 130 VAL CA C 13 61.4 0.2 A 130 VAL CB C 13 32.8 0.2 A 130 VAL CG1 C 13 20.1 0.2 A 130 VAL CG2 C 13 24.2 0.2 A 130 VAL N N 15 128.5 0.2 A 131 PRO HA H 1 1.68 0.02 A 131 PRO HBx H 1 1.27 0.02 A 131 PRO HBy H 1 1.27 0.02 A 131 PRO HDy H 1 3.79 0.02 A 131 PRO HDx H 1 3.11 0.02 A 131 PRO HGy H 1 1.82 0.02 A 131 PRO HGx H 1 1.65 0.02 A 131 PRO C C 13 172.4 0.2 A 131 PRO CA C 13 63.0 0.2 A 131 PRO CB C 13 31.7 0.2 A 131 PRO CD C 13 51.0 0.2 A 131 PRO CG C 13 29.2 0.2 A 132 TYR H H 1 5.87 0.02 A 132 TYR HA H 1 4.58 0.02 A 132 TYR HBx H 1 3.00 0.02 A 132 TYR HBy H 1 3.00 0.02 A 132 TYR HDx H 1 7.25 0.02 A 132 TYR HDy H 1 7.25 0.02 A 132 TYR HEx H 1 6.90 0.02 A 132 TYR HEy H 1 6.90 0.02 A 132 TYR C C 13 172.6 0.2 A 132 TYR CA C 13 54.1 0.2 A 132 TYR CB C 13 40.6 0.2 A 132 TYR CDx C 13 135.3 0.2 A 132 TYR CDy C 13 135.3 0.2 A 132 TYR CEx C 13 117.4 0.2 A 132 TYR CEy C 13 117.4 0.2 A 132 TYR N N 15 114.8 0.2 A 133 TYR H H 1 8.54 0.02 A 133 TYR HA H 1 4.54 0.02 A 133 TYR HBy H 1 3.20 0.02 A 133 TYR HBx H 1 2.95 0.02 A 133 TYR HDx H 1 7.17 0.02 A 133 TYR HDy H 1 7.17 0.02 A 133 TYR HEx H 1 6.79 0.02 A 133 TYR HEy H 1 6.79 0.02 A 133 TYR C C 13 177.1 0.2 A 133 TYR CA C 13 59.3 0.2 A 133 TYR CB C 13 38.1 0.2 A 133 TYR CDx C 13 133.5 0.2 A 133 TYR CDy C 13 133.5 0.2 A 133 TYR CEx C 13 118.2 0.2 A 133 TYR CEy C 13 118.2 0.2 A 133 TYR N N 15 117.8 0.2 A 134 ARG H H 1 9.04 0.02 A 134 ARG HA H 1 4.29 0.02 A 134 ARG HBy H 1 1.96 0.02 A 134 ARG HBx H 1 1.46 0.02 A 134 ARG HDy H 1 3.08 0.02 A 134 ARG HDx H 1 3.03 0.02 A 134 ARG HE H 1 6.46 0.02 A 134 ARG HGx H 1 1.71 0.02 A 134 ARG HGy H 1 1.71 0.02 A 134 ARG C C 13 176.6 0.2 A 134 ARG CA C 13 56.8 0.2 A 134 ARG CB C 13 31.5 0.2 A 134 ARG CD C 13 44.2 0.2 A 134 ARG CG C 13 26.7 0.2 A 134 ARG N N 15 129.2 0.2 A 134 ARG NE N 15 110.0 0.2 A 135 GLY H H 1 6.57 0.02 A 135 GLY HAx H 1 3.84 0.02 A 135 GLY HAy H 1 3.84 0.02 A 135 GLY C C 13 173.9 0.2 A 135 GLY CA C 13 46.0 0.2 A 135 GLY N N 15 107.0 0.2 A 136 LEU H H 1 8.29 0.02 A 136 LEU HA H 1 4.32 0.02 A 136 LEU HBy H 1 1.68 0.02 A 136 LEU HBx H 1 1.58 0.02 A 136 LEU HD1% H 1 0.90 0.02 A 136 LEU HD2% H 1 0.86 0.02 A 136 LEU HG H 1 1.61 0.02 A 136 LEU C C 13 177.7 0.2 A 136 LEU CA C 13 55.3 0.2 A 136 LEU CB C 13 42.2 0.2 A 136 LEU CD1 C 13 25.3 0.2 A 136 LEU CD2 C 13 23.3 0.2 A 136 LEU CG C 13 27.1 0.2 A 136 LEU N N 15 120.4 0.2 A 137 GLU H H 1 8.47 0.02 A 137 GLU HA H 1 4.22 0.02 A 137 GLU HBy H 1 1.95 0.02 A 137 GLU HBx H 1 1.89 0.02 A 137 GLU HGx H 1 2.18 0.02 A 137 GLU HGy H 1 2.18 0.02 A 137 GLU CA C 13 57.0 0.2 A 137 GLU CB C 13 30.1 0.2 A 137 GLU CG C 13 36.3 0.2 A 137 GLU N N 15 120.7 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 129 VAL HG1% A 2 PRO HBx 1.0 1.8 4.49 2 1 A 2 PRO HBy A 129 VAL HG1% 1.0 1.8 4.49 3 2 A 132 TYR HD% A 2 PRO HBx 1.0 1.8 4.72 4 2 A 2 PRO HBy A 132 TYR HD% 1.0 1.8 4.72 5 3 A 132 TYR HE% A 2 PRO HBx 1.0 1.8 4.77 6 3 A 2 PRO HBy A 132 TYR HE% 1.0 1.8 4.77 7 4 A 132 TYR HE% A 2 PRO HDy 1.0 1.8 5.25 8 4 A 132 TYR HE% A 2 PRO HDx 1.0 1.8 5.25 9 5 A 129 VAL HG1% A 2 PRO HGx 1.0 1.8 6.00 10 5 A 129 VAL HG1% A 2 PRO HGy 1.0 1.8 6.00 11 6 A 129 VAL HG2% A 2 PRO HGx 1.0 1.8 5.27 12 6 A 2 PRO HGy A 129 VAL HG2% 1.0 1.8 5.27 13 7 A 132 TYR HE% A 2 PRO HGx 1.0 1.8 4.19 14 7 A 132 TYR HE% A 2 PRO HGy 1.0 1.8 4.19 15 8 A 3 VAL HA A 3 VAL HG1% 1.0 1.8 3.27 16 9 A 3 VAL HA A 3 VAL HG2% 1.0 1.8 3.42 17 10 A 3 VAL HA A 4 GLU H 1.0 1.8 3.30 18 11 A 3 VAL HB A 130 VAL HG1% 1.0 1.8 5.05 19 12 A 3 VAL HB A 130 VAL HG2% 1.0 1.8 3.59 20 13 A 3 VAL HB A 130 VAL H 1.0 1.8 5.14 21 14 A 3 VAL HB A 20 ALA HB% 1.0 1.8 4.99 22 15 A 3 VAL HG1% A 16 THR HB 1.0 1.8 5.13 23 16 A 3 VAL HG1% A 16 THR HG2% 1.0 1.8 3.07 24 17 A 3 VAL HG1% A 17 VAL HA 1.0 1.8 3.47 25 18 A 3 VAL HG1% A 20 ALA HB% 1.0 1.8 3.34 26 19 A 3 VAL HG1% A 20 ALA H 1.0 1.8 4.99 27 20 A 3 VAL HG1% A 21 VAL H 1.0 1.8 6.05 28 21 A 3 VAL HG1% A 4 GLU HA 1.0 1.8 5.57 29 22 A 3 VAL HG1% A 4 GLU H 1.0 1.8 3.48 30 23 A 3 VAL HG2% A 16 THR HG2% 1.0 1.8 3.72 31 24 A 3 VAL HG2% A 17 VAL HA 1.0 1.8 5.01 32 25 A 3 VAL HG2% A 20 ALA HB% 1.0 1.8 3.11 33 26 A 3 VAL HG2% A 20 ALA H 1.0 1.8 5.49 34 27 A 3 VAL HG2% A 4 GLU H 1.0 1.8 4.66 35 28 A 4 GLU HA A 129 VAL HA 1.0 1.8 4.05 36 29 A 129 VAL HG1% A 4 GLU HA 1.0 1.8 4.55 37 30 A 129 VAL HG2% A 4 GLU HA 1.0 1.8 4.10 38 31 A 130 VAL HG2% A 4 GLU HA 1.0 1.8 5.03 39 32 A 130 VAL H A 4 GLU HA 1.0 1.8 4.53 40 33 A 4 GLU HA A 17 VAL HG2% 1.0 1.8 6.05 41 34 A 4 GLU HA A 5 LEU H 1.0 1.8 3.53 42 35 A 129 VAL HA A 4 GLU HBx 1.0 1.8 4.92 43 35 A 129 VAL HA A 4 GLU HBy 1.0 1.8 4.92 44 36 A 129 VAL HG1% A 4 GLU HBx 1.0 1.8 4.68 45 36 A 129 VAL HG1% A 4 GLU HBy 1.0 1.8 4.68 46 37 A 129 VAL HG2% A 4 GLU HBx 1.0 1.8 3.36 47 37 A 129 VAL HG2% A 4 GLU HBy 1.0 1.8 3.36 48 38 A 130 VAL H A 4 GLU HBx 1.0 1.8 5.53 49 38 A 130 VAL H A 4 GLU HBy 1.0 1.8 5.53 50 39 A 5 LEU H A 4 GLU HBx 1.0 1.8 4.08 51 39 A 5 LEU H A 4 GLU HBy 1.0 1.8 4.08 52 40 A 129 VAL HA A 4 GLU HGx 1.0 1.8 5.30 53 40 A 129 VAL HA A 4 GLU HGy 1.0 1.8 5.30 54 41 A 129 VAL HG2% A 4 GLU HGx 1.0 1.8 4.09 55 41 A 129 VAL HG2% A 4 GLU HGy 1.0 1.8 4.09 56 42 A 5 LEU H A 4 GLU HGx 1.0 1.8 4.41 57 42 A 5 LEU H A 4 GLU HGy 1.0 1.8 4.41 58 43 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.71 59 43 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.71 60 44 A 17 VAL HG2% A 5 LEU HA 1.0 1.8 4.40 61 45 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 3.55 62 46 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 4.71 63 47 A 5 LEU HA A 6 ARG H 1.0 1.8 3.63 64 48 A 128 TRP HA A 5 LEU HBy 1.0 1.8 5.53 65 48 A 5 LEU HBx A 128 TRP HA 1.0 1.8 5.53 66 49 A 5 LEU HBx A 128 TRP HBy 1.0 1.8 5.28 67 49 A 5 LEU HBy A 128 TRP HBy 1.0 1.8 5.28 68 49 A 128 TRP HBx A 5 LEU HBy 1.0 1.8 5.28 69 49 A 5 LEU HBx A 128 TRP HBx 1.0 1.8 5.28 70 50 A 14 LEU HD1% A 5 LEU HBy 1.0 1.8 4.97 71 50 A 5 LEU HBx A 14 LEU HD1% 1.0 1.8 4.97 72 51 A 44 LEU HD2% A 5 LEU HBy 1.0 1.8 4.80 73 51 A 5 LEU HBx A 44 LEU HD2% 1.0 1.8 4.80 74 52 A 5 LEU HD2% A 5 LEU HBy 1.0 1.8 3.87 75 52 A 5 LEU HD2% A 5 LEU HBx 1.0 1.8 3.87 76 53 A 5 LEU HBx A 17 VAL HG1% 1.0 1.8 4.17 77 54 A 17 VAL HG2% A 5 LEU HBx 1.0 1.8 4.97 78 55 A 5 LEU HD1% A 5 LEU HBx 1.0 1.8 4.39 79 56 A 17 VAL HG1% A 5 LEU HBy 1.0 1.8 4.17 80 57 A 17 VAL HG2% A 5 LEU HBy 1.0 1.8 4.97 81 58 A 5 LEU HD1% A 5 LEU HBy 1.0 1.8 4.39 82 59 A 5 LEU HD1% A 14 LEU HA 1.0 1.8 3.92 83 60 A 5 LEU HD1% A 14 LEU HBx 1.0 1.8 5.38 84 61 A 5 LEU HD1% A 14 LEU HBy 1.0 1.8 5.38 85 62 A 5 LEU HD1% A 14 LEU HD1% 1.0 1.8 3.30 86 63 A 5 LEU HD1% A 14 LEU H 1.0 1.8 4.79 87 64 A 17 VAL HA A 5 LEU HD1% 1.0 1.8 5.82 88 65 A 5 LEU HD1% A 17 VAL HB 1.0 1.8 4.37 89 66 A 5 LEU HD1% A 17 VAL HG1% 1.0 1.8 3.56 90 67 A 5 LEU HD1% A 6 ARG H 1.0 1.8 4.22 91 68 A 5 LEU HD1% A 9 TRP HA 1.0 1.8 5.15 92 69 A 5 LEU HD1% A 9 TRP HBy 1.0 1.8 4.30 93 70 A 5 LEU HD1% A 9 TRP HBx 1.0 1.8 4.30 94 71 A 5 LEU HD1% A 9 TRP HD1 1.0 1.8 4.61 95 72 A 5 LEU HD1% A 9 TRP H 1.0 1.8 5.29 96 73 A 5 LEU HD2% A 128 TRP HBy 1.0 1.8 5.87 97 73 A 5 LEU HD2% A 128 TRP HBx 1.0 1.8 5.87 98 74 A 5 LEU HD2% A 128 TRP HE3 1.0 1.8 4.16 99 75 A 5 LEU HD2% A 128 TRP HZ3 1.0 1.8 4.04 100 76 A 5 LEU HD2% A 17 VAL HG1% 1.0 1.8 4.19 101 77 A 17 VAL HG2% A 5 LEU HD2% 1.0 1.8 4.41 102 78 A 5 LEU HD2% A 44 LEU HD1% 1.0 1.8 3.54 103 79 A 5 LEU HD2% A 44 LEU HG 1.0 1.8 4.03 104 80 A 5 LEU HD2% A 51 VAL HG2% 1.0 1.8 4.47 105 81 A 5 LEU HD2% A 9 TRP HD1 1.0 1.8 4.60 106 82 A 5 LEU HD2% A 9 TRP HE1 1.0 1.8 4.13 107 83 A 5 LEU HG A 6 ARG HA 1.0 1.8 5.73 108 84 A 6 ARG H A 5 LEU HG 1.0 1.8 5.13 109 85 A 5 LEU HG A 9 TRP HBx 1.0 1.8 5.46 110 85 A 5 LEU HG A 9 TRP HBy 1.0 1.8 5.46 111 86 A 9 TRP HD1 A 5 LEU HG 1.0 1.8 5.00 112 87 A 9 TRP HE1 A 5 LEU HG 1.0 1.8 5.53 113 88 A 5 LEU H A 128 TRP HA 1.0 1.8 5.06 114 89 A 5 LEU H A 128 TRP HBy 1.0 1.8 4.25 115 89 A 5 LEU H A 128 TRP HBx 1.0 1.8 4.25 116 90 A 129 VAL HA A 5 LEU H 1.0 1.8 4.75 117 91 A 130 VAL H A 5 LEU H 1.0 1.8 5.62 118 92 A 5 LEU H A 17 VAL HG1% 1.0 1.8 4.80 119 93 A 17 VAL HG2% A 5 LEU H 1.0 1.8 4.63 120 94 A 5 LEU H A 5 LEU HBx 1.0 1.8 4.28 121 95 A 5 LEU H A 5 LEU HBy 1.0 1.8 4.28 122 96 A 5 LEU H A 5 LEU HD1% 1.0 1.8 5.13 123 97 A 5 LEU H A 5 LEU HD2% 1.0 1.8 5.49 124 98 A 5 LEU H A 51 VAL HG2% 1.0 1.8 4.43 125 99 A 5 LEU H A 6 ARG H 1.0 1.8 4.79 126 100 A 6 ARG HA A 6 ARG HDx 1.0 1.8 4.46 127 100 A 6 ARG HA A 6 ARG HDy 1.0 1.8 4.46 128 101 A 6 ARG HA A 7 ALA HB% 1.0 1.8 4.59 129 102 A 6 ARG HA A 7 ALA H 1.0 1.8 3.30 130 103 A 7 ALA H A 6 ARG HBx 1.0 1.8 3.55 131 103 A 7 ALA H A 6 ARG HBy 1.0 1.8 3.55 132 104 A 6 ARG HDy A 6 ARG HBx 1.0 1.8 3.58 133 104 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 3.58 134 105 A 6 ARG HDy A 6 ARG HBy 1.0 1.8 3.58 135 105 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 3.58 136 106 A 7 ALA H A 6 ARG HGx 1.0 1.8 4.26 137 106 A 7 ALA H A 6 ARG HGy 1.0 1.8 4.26 138 107 A 17 VAL HG2% A 6 ARG H 1.0 1.8 5.84 139 108 A 6 ARG H A 6 ARG HBx 1.0 1.8 3.92 140 108 A 6 ARG H A 6 ARG HBy 1.0 1.8 3.92 141 109 A 6 ARG H A 6 ARG HDx 1.0 1.8 5.35 142 109 A 6 ARG H A 6 ARG HDy 1.0 1.8 5.35 143 110 A 6 ARG H A 6 ARG HGx 1.0 1.8 4.16 144 110 A 6 ARG H A 6 ARG HGy 1.0 1.8 4.16 145 111 A 7 ALA HA A 8 ASN H 1.0 1.8 3.86 146 112 A 7 ALA HA A 9 TRP HBx 1.0 1.8 5.42 147 112 A 9 TRP HBy A 7 ALA HA 1.0 1.8 5.42 148 113 A 9 TRP H A 7 ALA HA 1.0 1.8 4.63 149 114 A 7 ALA HB% A 8 ASN HBx 1.0 1.8 4.57 150 114 A 7 ALA HB% A 8 ASN HBy 1.0 1.8 4.57 151 115 A 7 ALA HB% A 8 ASN HD22 1.0 1.8 6.00 152 115 A 7 ALA HB% A 8 ASN HD21 1.0 1.8 6.00 153 116 A 7 ALA HB% A 8 ASN H 1.0 1.8 4.10 154 117 A 9 TRP H A 7 ALA HB% 1.0 1.8 6.00 155 118 A 7 ALA H A 8 ASN H 1.0 1.8 5.12 156 119 A 9 TRP H A 8 ASN HA 1.0 1.8 3.77 157 120 A 8 ASN HBy A 8 ASN HD22 1.0 1.8 3.39 158 120 A 8 ASN HBx A 8 ASN HD22 1.0 1.8 3.39 159 120 A 8 ASN HD21 A 8 ASN HBx 1.0 1.8 3.39 160 120 A 8 ASN HBy A 8 ASN HD21 1.0 1.8 3.39 161 121 A 9 TRP H A 8 ASN HBx 1.0 1.8 4.58 162 121 A 9 TRP H A 8 ASN HBy 1.0 1.8 4.58 163 122 A 9 TRP H A 8 ASN H 1.0 1.8 4.18 164 123 A 9 TRP HA A 10 SER H 1.0 1.8 3.63 165 124 A 9 TRP HBy A 10 SER H 1.0 1.8 4.58 166 125 A 9 TRP HBy A 13 ASP HBx 1.0 1.8 5.13 167 125 A 9 TRP HBy A 13 ASP HBy 1.0 1.8 5.13 168 126 A 10 SER H A 9 TRP HBx 1.0 1.8 4.58 169 127 A 13 ASP HBx A 9 TRP HBx 1.0 1.8 5.13 170 127 A 9 TRP HBx A 13 ASP HBy 1.0 1.8 5.13 171 128 A 9 TRP HE1 A 14 LEU HD2% 1.0 1.8 5.53 172 129 A 14 LEU HD2% A 9 TRP HH2 1.0 1.8 4.94 173 130 A 9 TRP HH2 A 45 ARG HA 1.0 1.8 5.16 174 131 A 9 TRP HD1 A 9 TRP H 1.0 1.8 3.90 175 132 A 14 LEU HD2% A 9 TRP HZ3 1.0 1.8 4.68 176 133 A 11 GLU H A 10 SER HBy 1.0 1.8 4.55 177 133 A 10 SER HBx A 11 GLU H 1.0 1.8 4.55 178 134 A 12 GLU H A 10 SER HBy 1.0 1.8 4.92 179 134 A 10 SER HBx A 12 GLU H 1.0 1.8 4.92 180 135 A 13 ASP H A 10 SER HBy 1.0 1.8 4.17 181 135 A 10 SER HBx A 13 ASP H 1.0 1.8 4.17 182 136 A 10 SER H A 13 ASP HBy 1.0 1.8 4.08 183 136 A 10 SER H A 13 ASP HBx 1.0 1.8 4.08 184 137 A 10 SER H A 13 ASP H 1.0 1.8 4.65 185 138 A 14 LEU H A 10 SER H 1.0 1.8 5.38 186 139 A 11 GLU HA A 11 GLU HGx 1.0 1.8 3.88 187 139 A 11 GLU HA A 11 GLU HGy 1.0 1.8 3.88 188 140 A 11 GLU HA A 14 LEU HBx 1.0 1.8 4.72 189 141 A 11 GLU HA A 14 LEU HBy 1.0 1.8 4.72 190 142 A 14 LEU HD2% A 11 GLU HA 1.0 1.8 4.85 191 143 A 14 LEU H A 11 GLU HA 1.0 1.8 4.72 192 144 A 11 GLU HA A 15 GLU H 1.0 1.8 4.71 193 145 A 12 GLU H A 11 GLU HBx 1.0 1.8 4.02 194 145 A 12 GLU H A 11 GLU HBy 1.0 1.8 4.02 195 146 A 12 GLU H A 11 GLU HGx 1.0 1.8 5.07 196 146 A 12 GLU H A 11 GLU HGy 1.0 1.8 5.07 197 147 A 14 LEU HD2% A 11 GLU HGx 1.0 1.8 5.01 198 147 A 14 LEU HD2% A 11 GLU HGy 1.0 1.8 5.01 199 148 A 11 GLU H A 11 GLU HGx 1.0 1.8 4.82 200 148 A 11 GLU H A 11 GLU HGy 1.0 1.8 4.82 201 149 A 11 GLU H A 12 GLU H 1.0 1.8 5.08 202 150 A 12 GLU HA A 12 GLU HGx 1.0 1.8 3.90 203 150 A 12 GLU HA A 12 GLU HGy 1.0 1.8 3.90 204 151 A 12 GLU HA A 15 GLU HBy 1.0 1.8 4.65 205 151 A 12 GLU HA A 15 GLU HBx 1.0 1.8 4.65 206 152 A 15 GLU H A 12 GLU HA 1.0 1.8 4.46 207 153 A 13 ASP H A 12 GLU HBy 1.0 1.8 3.88 208 153 A 13 ASP H A 12 GLU HBx 1.0 1.8 3.88 209 154 A 13 ASP H A 12 GLU HGx 1.0 1.8 4.81 210 154 A 13 ASP H A 12 GLU HGy 1.0 1.8 4.81 211 155 A 12 GLU H A 12 GLU HBy 1.0 1.8 3.51 212 155 A 12 GLU H A 12 GLU HBx 1.0 1.8 3.51 213 156 A 12 GLU H A 12 GLU HGx 1.0 1.8 4.38 214 156 A 12 GLU H A 12 GLU HGy 1.0 1.8 4.38 215 157 A 12 GLU H A 13 ASP H 1.0 1.8 4.05 216 158 A 16 THR HB A 13 ASP HA 1.0 1.8 4.20 217 159 A 16 THR HG2% A 13 ASP HA 1.0 1.8 4.64 218 160 A 14 LEU H A 13 ASP HBy 1.0 1.8 3.98 219 160 A 14 LEU H A 13 ASP HBx 1.0 1.8 3.98 220 161 A 13 ASP HBx A 13 ASP H 1.0 1.8 4.08 221 162 A 13 ASP H A 13 ASP HBy 1.0 1.8 4.08 222 163 A 14 LEU HD1% A 14 LEU HA 1.0 1.8 3.83 223 164 A 14 LEU HA A 14 LEU HD2% 1.0 1.8 4.69 224 165 A 14 LEU HA A 17 VAL HB 1.0 1.8 4.47 225 166 A 17 VAL HG1% A 14 LEU HA 1.0 1.8 4.99 226 167 A 17 VAL HG2% A 14 LEU HA 1.0 1.8 4.43 227 168 A 14 LEU HD1% A 14 LEU HBy 1.0 1.8 4.28 228 168 A 14 LEU HD1% A 14 LEU HBx 1.0 1.8 4.28 229 169 A 15 GLU HA A 14 LEU HBy 1.0 1.8 5.41 230 169 A 14 LEU HBx A 15 GLU HA 1.0 1.8 5.41 231 170 A 14 LEU HD2% A 14 LEU HBx 1.0 1.8 3.88 232 171 A 15 GLU H A 14 LEU HBx 1.0 1.8 4.31 233 172 A 14 LEU HD2% A 14 LEU HBy 1.0 1.8 3.88 234 173 A 15 GLU H A 14 LEU HBy 1.0 1.8 4.31 235 174 A 14 LEU HD1% A 15 GLU H 1.0 1.8 5.58 236 175 A 14 LEU HD1% A 17 VAL HB 1.0 1.8 4.85 237 176 A 14 LEU HD1% A 18 ILE H 1.0 1.8 5.51 238 177 A 14 LEU HD1% A 44 LEU HD1% 1.0 1.8 4.44 239 178 A 14 LEU HD1% A 45 ARG HA 1.0 1.8 4.71 240 179 A 14 LEU HD1% A 45 ARG H 1.0 1.8 5.48 241 180 A 14 LEU HD2% A 15 GLU H 1.0 1.8 5.49 242 181 A 44 LEU HD2% A 14 LEU HD2% 1.0 1.8 4.80 243 182 A 14 LEU HD2% A 45 ARG HA 1.0 1.8 3.98 244 183 A 14 LEU HD2% A 45 ARG HBx 1.0 1.8 4.05 245 183 A 14 LEU HD2% A 45 ARG HBy 1.0 1.8 4.05 246 184 A 14 LEU HD2% A 45 ARG HGy 1.0 1.8 3.90 247 184 A 14 LEU HD2% A 45 ARG HGx 1.0 1.8 3.90 248 185 A 15 GLU H A 14 LEU HG 1.0 1.8 5.87 249 186 A 14 LEU H A 14 LEU HBx 1.0 1.8 4.04 250 187 A 14 LEU H A 14 LEU HBy 1.0 1.8 4.04 251 188 A 14 LEU HD1% A 14 LEU H 1.0 1.8 4.86 252 189 A 14 LEU H A 14 LEU HD2% 1.0 1.8 4.76 253 190 A 14 LEU H A 14 LEU HG 1.0 1.8 5.65 254 191 A 15 GLU HA A 18 ILE HB 1.0 1.8 5.41 255 192 A 15 GLU HA A 18 ILE HD1% 1.0 1.8 5.13 256 193 A 15 GLU HA A 18 ILE HG2% 1.0 1.8 4.75 257 194 A 15 GLU HA A 18 ILE H 1.0 1.8 4.92 258 195 A 18 ILE HD1% A 15 GLU HBy 1.0 1.8 4.97 259 195 A 15 GLU HBx A 18 ILE HD1% 1.0 1.8 4.97 260 196 A 15 GLU HBx A 16 THR H 1.0 1.8 4.59 261 197 A 16 THR H A 15 GLU HBy 1.0 1.8 4.59 262 198 A 16 THR H A 15 GLU HGy 1.0 1.8 5.20 263 198 A 16 THR H A 15 GLU HGx 1.0 1.8 5.20 264 199 A 15 GLU H A 15 GLU HBy 1.0 1.8 3.45 265 199 A 15 GLU H A 15 GLU HBx 1.0 1.8 3.45 266 200 A 15 GLU H A 15 GLU HGy 1.0 1.8 3.92 267 200 A 15 GLU H A 15 GLU HGx 1.0 1.8 3.92 268 201 A 15 GLU H A 18 ILE H 1.0 1.8 5.84 269 202 A 16 THR HG2% A 16 THR HA 1.0 1.8 3.43 270 203 A 16 THR HB A 17 VAL HG2% 1.0 1.8 5.42 271 204 A 16 THR HB A 17 VAL H 1.0 1.8 4.16 272 205 A 16 THR HG2% A 17 VAL HA 1.0 1.8 4.46 273 206 A 16 THR HG2% A 17 VAL H 1.0 1.8 4.73 274 207 A 20 ALA HB% A 16 THR HG2% 1.0 1.8 3.95 275 208 A 16 THR HB A 16 THR H 1.0 1.8 3.77 276 209 A 16 THR HG2% A 16 THR H 1.0 1.8 4.37 277 210 A 16 THR H A 17 VAL H 1.0 1.8 4.21 278 211 A 17 VAL HA A 17 VAL HG1% 1.0 1.8 3.79 279 212 A 20 ALA HB% A 17 VAL HA 1.0 1.8 3.64 280 213 A 17 VAL HB A 18 ILE H 1.0 1.8 4.53 281 214 A 130 VAL HG2% A 17 VAL HG1% 1.0 1.8 3.11 282 215 A 130 VAL H A 17 VAL HG1% 1.0 1.8 5.63 283 216 A 17 VAL HG1% A 18 ILE HA 1.0 1.8 4.50 284 217 A 17 VAL HG1% A 18 ILE H 1.0 1.8 4.64 285 218 A 20 ALA HB% A 17 VAL HG1% 1.0 1.8 4.43 286 219 A 17 VAL HG1% A 21 VAL HG2% 1.0 1.8 3.64 287 220 A 21 VAL H A 17 VAL HG1% 1.0 1.8 4.89 288 221 A 44 LEU HD2% A 17 VAL HG1% 1.0 1.8 3.73 289 222 A 17 VAL HB A 17 VAL H 1.0 1.8 3.92 290 223 A 17 VAL HG1% A 17 VAL H 1.0 1.8 4.44 291 224 A 17 VAL HG2% A 17 VAL H 1.0 1.8 3.82 292 225 A 18 ILE H A 17 VAL H 1.0 1.8 4.51 293 226 A 18 ILE HD1% A 18 ILE HA 1.0 1.8 4.65 294 227 A 18 ILE HA A 18 ILE HG1x 1.0 1.8 3.87 295 227 A 18 ILE HA A 18 ILE HG1y 1.0 1.8 3.87 296 228 A 18 ILE HA A 21 VAL HB 1.0 1.8 4.86 297 229 A 18 ILE HA A 21 VAL HG2% 1.0 1.8 4.61 298 230 A 21 VAL H A 18 ILE HA 1.0 1.8 4.52 299 231 A 18 ILE HA A 22 TYR HD% 1.0 1.8 5.80 300 232 A 18 ILE HB A 19 ARG HA 1.0 1.8 5.87 301 233 A 18 ILE HB A 19 ARG H 1.0 1.8 5.97 302 234 A 18 ILE HD1% A 19 ARG H 1.0 1.8 5.17 303 235 A 18 ILE HD1% A 22 TYR HD% 1.0 1.8 6.00 304 236 A 18 ILE HD1% A 22 TYR HE% 1.0 1.8 5.03 305 237 A 18 ILE HD1% A 41 GLU HA 1.0 1.8 5.30 306 238 A 18 ILE HD1% A 41 GLU HBy 1.0 1.8 5.14 307 238 A 18 ILE HD1% A 41 GLU HBx 1.0 1.8 5.14 308 239 A 18 ILE HD1% A 41 GLU HGx 1.0 1.8 4.52 309 239 A 18 ILE HD1% A 41 GLU HGy 1.0 1.8 4.52 310 240 A 18 ILE HG2% A 18 ILE HG1x 1.0 1.8 3.52 311 240 A 18 ILE HG2% A 18 ILE HG1y 1.0 1.8 3.52 312 241 A 18 ILE HG2% A 22 TYR HD% 1.0 1.8 5.33 313 242 A 18 ILE HG2% A 41 GLU HA 1.0 1.8 5.16 314 243 A 18 ILE HG2% A 41 GLU HBy 1.0 1.8 4.35 315 243 A 18 ILE HG2% A 41 GLU HBx 1.0 1.8 4.35 316 244 A 18 ILE H A 18 ILE HB 1.0 1.8 4.22 317 245 A 18 ILE H A 18 ILE HD1% 1.0 1.8 4.88 318 246 A 18 ILE H A 18 ILE HG1x 1.0 1.8 4.46 319 247 A 18 ILE H A 18 ILE HG1y 1.0 1.8 4.46 320 248 A 18 ILE H A 18 ILE HG2% 1.0 1.8 4.61 321 249 A 22 TYR HD% A 19 ARG HA 1.0 1.8 4.59 322 250 A 19 ARG HA A 22 TYR H 1.0 1.8 5.37 323 251 A 19 ARG HBy A 19 ARG HDx 1.0 1.8 3.56 324 251 A 19 ARG HBx A 19 ARG HDx 1.0 1.8 3.56 325 251 A 19 ARG HDy A 19 ARG HBy 1.0 1.8 3.56 326 251 A 19 ARG HBx A 19 ARG HDy 1.0 1.8 3.56 327 252 A 20 ALA H A 19 ARG HBy 1.0 1.8 4.50 328 252 A 20 ALA H A 19 ARG HBx 1.0 1.8 4.50 329 253 A 20 ALA H A 19 ARG HGx 1.0 1.8 4.74 330 253 A 20 ALA H A 19 ARG HGy 1.0 1.8 4.74 331 254 A 20 ALA HB% A 130 VAL HB 1.0 1.8 5.21 332 255 A 130 VAL HG1% A 20 ALA HB% 1.0 1.8 3.75 333 256 A 130 VAL HG2% A 20 ALA HB% 1.0 1.8 3.44 334 257 A 20 ALA HB% A 21 VAL HG2% 1.0 1.8 4.15 335 258 A 20 ALA HB% A 21 VAL H 1.0 1.8 3.82 336 259 A 130 VAL HG1% A 20 ALA H 1.0 1.8 6.05 337 260 A 20 ALA HB% A 20 ALA H 1.0 1.8 3.37 338 261 A 20 ALA H A 21 VAL HG2% 1.0 1.8 5.07 339 262 A 20 ALA H A 21 VAL H 1.0 1.8 3.89 340 263 A 130 VAL HG1% A 21 VAL HA 1.0 1.8 3.52 341 264 A 21 VAL HA A 21 VAL HG1% 1.0 1.8 3.70 342 265 A 21 VAL HG2% A 21 VAL HA 1.0 1.8 3.70 343 266 A 130 VAL HG1% A 21 VAL HB 1.0 1.8 5.26 344 267 A 130 VAL HG2% A 21 VAL HB 1.0 1.8 5.72 345 268 A 21 VAL HB A 22 TYR HD% 1.0 1.8 4.52 346 269 A 21 VAL HB A 22 TYR H 1.0 1.8 4.21 347 270 A 130 VAL HG1% A 21 VAL HG1% 1.0 1.8 3.82 348 271 A 21 VAL HG1% A 131 PRO HDy 1.0 1.8 5.16 349 271 A 21 VAL HG1% A 131 PRO HDx 1.0 1.8 5.16 350 272 A 22 TYR HD% A 21 VAL HG1% 1.0 1.8 5.02 351 273 A 22 TYR HE% A 21 VAL HG1% 1.0 1.8 5.52 352 274 A 22 TYR H A 21 VAL HG1% 1.0 1.8 4.49 353 275 A 21 VAL HG1% A 54 PHE HD% 1.0 1.8 4.52 354 276 A 21 VAL HG1% A 55 VAL HA 1.0 1.8 4.26 355 277 A 21 VAL HG1% A 58 VAL HB 1.0 1.8 4.25 356 278 A 21 VAL HG1% A 58 VAL HG2% 1.0 1.8 3.70 357 279 A 21 VAL HG2% A 130 VAL HA 1.0 1.8 4.98 358 280 A 21 VAL HG2% A 130 VAL HB 1.0 1.8 4.51 359 281 A 130 VAL HG1% A 21 VAL HG2% 1.0 1.8 3.26 360 282 A 21 VAL HG2% A 131 PRO HDy 1.0 1.8 4.74 361 282 A 21 VAL HG2% A 131 PRO HDx 1.0 1.8 4.74 362 283 A 21 VAL HG2% A 22 TYR HD% 1.0 1.8 5.52 363 284 A 21 VAL HG2% A 22 TYR H 1.0 1.8 4.92 364 285 A 21 VAL HG2% A 54 PHE HD% 1.0 1.8 3.70 365 286 A 130 VAL HG1% A 21 VAL H 1.0 1.8 4.52 366 287 A 130 VAL HG2% A 21 VAL H 1.0 1.8 5.19 367 288 A 21 VAL H A 21 VAL HB 1.0 1.8 3.85 368 289 A 21 VAL H A 21 VAL HG1% 1.0 1.8 4.59 369 290 A 21 VAL H A 21 VAL HG2% 1.0 1.8 3.59 370 291 A 21 VAL H A 22 TYR HD% 1.0 1.8 5.37 371 292 A 21 VAL H A 22 TYR H 1.0 1.8 4.09 372 293 A 22 TYR HD% A 22 TYR HA 1.0 1.8 4.32 373 294 A 22 TYR HD% A 37 LEU HD1% 1.0 1.8 4.58 374 295 A 22 TYR HD% A 58 VAL HG1% 1.0 1.8 4.10 375 296 A 22 TYR HD% A 58 VAL HG2% 1.0 1.8 4.62 376 297 A 22 TYR HE% A 37 LEU HD1% 1.0 1.8 4.10 377 298 A 22 TYR HE% A 37 LEU HD2% 1.0 1.8 5.36 378 299 A 22 TYR HE% A 58 VAL HG1% 1.0 1.8 4.32 379 300 A 22 TYR HE% A 58 VAL HG2% 1.0 1.8 4.08 380 301 A 130 VAL HG1% A 22 TYR H 1.0 1.8 6.05 381 302 A 22 TYR HD% A 22 TYR H 1.0 1.8 4.59 382 303 A 25 VAL H A 25 VAL HGx% 1.0 1.8 3.89 383 303 A 25 VAL H A 25 VAL HG21 1.0 1.8 3.89 384 304 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 3.71 385 304 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 3.71 386 305 A 37 LEU HD1% A 37 LEU HA 1.0 1.8 4.48 387 306 A 37 LEU HD2% A 37 LEU HA 1.0 1.8 4.00 388 307 A 37 LEU HA A 40 ALA HB% 1.0 1.8 5.21 389 308 A 37 LEU HD1% A 37 LEU HBx 1.0 1.8 3.53 390 308 A 37 LEU HD1% A 37 LEU HBy 1.0 1.8 3.53 391 309 A 37 LEU HD2% A 37 LEU HBx 1.0 1.8 4.22 392 309 A 37 LEU HD2% A 37 LEU HBy 1.0 1.8 4.22 393 310 A 40 ALA HB% A 37 LEU HBx 1.0 1.8 4.00 394 310 A 40 ALA HB% A 37 LEU HBy 1.0 1.8 4.00 395 311 A 37 LEU HD1% A 40 ALA HB% 1.0 1.8 4.00 396 312 A 37 LEU HD1% A 40 ALA H 1.0 1.8 6.05 397 313 A 54 PHE HD% A 37 LEU HD1% 1.0 1.8 6.05 398 314 A 37 LEU HD1% A 57 ALA HB% 1.0 1.8 4.38 399 315 A 37 LEU HD1% A 58 VAL HA 1.0 1.8 3.53 400 316 A 37 LEU HD1% A 58 VAL HG1% 1.0 1.8 4.11 401 317 A 58 VAL HG2% A 37 LEU HD1% 1.0 1.8 4.40 402 318 A 37 LEU HD1% A 58 VAL H 1.0 1.8 4.51 403 319 A 37 LEU HD1% A 61 SER HBy 1.0 1.8 3.82 404 319 A 37 LEU HD1% A 61 SER HBx 1.0 1.8 3.82 405 320 A 37 LEU HD1% A 61 SER HG 1.0 1.8 4.82 406 321 A 37 LEU HD1% A 61 SER H 1.0 1.8 5.69 407 322 A 37 LEU HD2% A 40 ALA HB% 1.0 1.8 3.75 408 323 A 37 LEU HD2% A 57 ALA HB% 1.0 1.8 4.14 409 324 A 37 LEU HD2% A 58 VAL HA 1.0 1.8 4.30 410 325 A 58 VAL HG2% A 37 LEU HD2% 1.0 1.8 4.14 411 326 A 37 LEU HD2% A 61 SER HBy 1.0 1.8 4.38 412 326 A 37 LEU HD2% A 61 SER HBx 1.0 1.8 4.38 413 327 A 38 VAL HA A 38 VAL HGy% 1.0 1.8 3.25 414 327 A 38 VAL HA A 38 VAL HGx% 1.0 1.8 3.25 415 328 A 38 VAL HA A 38 VAL HGx% 1.0 1.8 3.76 416 329 A 38 VAL HA A 38 VAL HGy% 1.0 1.8 3.76 417 330 A 38 VAL HGy% A 42 SER HBx 1.0 1.8 6.00 418 330 A 38 VAL HGx% A 42 SER HBx 1.0 1.8 6.00 419 330 A 42 SER HBy A 38 VAL HGy% 1.0 1.8 6.00 420 330 A 38 VAL HGx% A 42 SER HBy 1.0 1.8 6.00 421 331 A 39 SER HA A 43 LEU HG 1.0 1.8 5.41 422 332 A 43 LEU HD1% A 39 SER HBx 1.0 1.8 4.50 423 332 A 39 SER HBy A 43 LEU HD1% 1.0 1.8 4.50 424 333 A 43 LEU HD2% A 39 SER HBx 1.0 1.8 5.16 425 333 A 39 SER HBy A 43 LEU HD2% 1.0 1.8 5.16 426 334 A 40 ALA HA A 43 LEU HBy 1.0 1.8 4.15 427 334 A 40 ALA HA A 43 LEU HBx 1.0 1.8 4.15 428 335 A 43 LEU HD1% A 40 ALA HA 1.0 1.8 3.37 429 336 A 43 LEU HG A 40 ALA HA 1.0 1.8 5.85 430 337 A 57 ALA HB% A 40 ALA HA 1.0 1.8 6.05 431 338 A 40 ALA HB% A 41 GLU H 1.0 1.8 4.20 432 339 A 40 ALA HB% A 49 ILE HD1% 1.0 1.8 4.75 433 340 A 54 PHE HD% A 40 ALA HB% 1.0 1.8 3.43 434 341 A 40 ALA HB% A 57 ALA HB% 1.0 1.8 3.23 435 342 A 40 ALA H A 41 GLU H 1.0 1.8 5.26 436 343 A 41 GLU HA A 44 LEU HBx 1.0 1.8 4.94 437 344 A 41 GLU HA A 44 LEU HBy 1.0 1.8 4.94 438 345 A 44 LEU HD2% A 41 GLU HA 1.0 1.8 5.05 439 346 A 41 GLU HA A 54 PHE HD% 1.0 1.8 5.58 440 347 A 42 SER H A 41 GLU HBy 1.0 1.8 3.88 441 347 A 41 GLU HBx A 42 SER H 1.0 1.8 3.88 442 348 A 41 GLU H A 41 GLU HGx 1.0 1.8 5.12 443 348 A 41 GLU HGy A 41 GLU H 1.0 1.8 5.12 444 349 A 41 GLU H A 42 SER H 1.0 1.8 4.00 445 350 A 42 SER HA A 45 ARG HBx 1.0 1.8 4.09 446 350 A 45 ARG HBy A 42 SER HA 1.0 1.8 4.09 447 351 A 42 SER HA A 45 ARG HDy 1.0 1.8 4.31 448 351 A 42 SER HA A 45 ARG HDx 1.0 1.8 4.31 449 352 A 43 LEU HG A 42 SER HBx 1.0 1.8 4.80 450 352 A 42 SER HBy A 43 LEU HG 1.0 1.8 4.80 451 353 A 43 LEU H A 42 SER HBx 1.0 1.8 4.49 452 353 A 42 SER HBy A 43 LEU H 1.0 1.8 4.49 453 354 A 42 SER HBy A 45 ARG HBx 1.0 1.8 5.46 454 354 A 42 SER HBx A 45 ARG HBx 1.0 1.8 5.46 455 354 A 45 ARG HBy A 42 SER HBx 1.0 1.8 5.46 456 354 A 45 ARG HBy A 42 SER HBy 1.0 1.8 5.46 457 355 A 42 SER H A 42 SER HBx 1.0 1.8 3.31 458 355 A 42 SER HBy A 42 SER H 1.0 1.8 3.31 459 356 A 42 SER H A 43 LEU H 1.0 1.8 4.07 460 357 A 43 LEU HD1% A 43 LEU HA 1.0 1.8 4.63 461 358 A 43 LEU HD2% A 43 LEU HA 1.0 1.8 3.29 462 359 A 43 LEU HG A 43 LEU HA 1.0 1.8 4.11 463 360 A 43 LEU HA A 46 ASN HBy 1.0 1.8 4.41 464 360 A 43 LEU HA A 46 ASN HBx 1.0 1.8 4.41 465 361 A 43 LEU HA A 46 ASN H 1.0 1.8 5.26 466 362 A 43 LEU HA A 48 LYS H 1.0 1.8 5.48 467 363 A 43 LEU HA A 49 ILE HG2% 1.0 1.8 4.63 468 364 A 43 LEU HA A 49 ILE H 1.0 1.8 5.79 469 365 A 43 LEU HD1% A 43 LEU HBy 1.0 1.8 3.40 470 365 A 43 LEU HD1% A 43 LEU HBx 1.0 1.8 3.40 471 366 A 44 LEU H A 43 LEU HBy 1.0 1.8 4.48 472 366 A 43 LEU HBx A 44 LEU H 1.0 1.8 4.48 473 367 A 49 ILE HB A 43 LEU HBy 1.0 1.8 5.25 474 367 A 43 LEU HBx A 49 ILE HB 1.0 1.8 5.25 475 368 A 49 ILE HD1% A 43 LEU HBy 1.0 1.8 4.25 476 368 A 43 LEU HBx A 49 ILE HD1% 1.0 1.8 4.25 477 369 A 43 LEU HBx A 49 ILE HG1y 1.0 1.8 4.57 478 369 A 49 ILE HG1x A 43 LEU HBy 1.0 1.8 4.57 479 369 A 43 LEU HBx A 49 ILE HG1x 1.0 1.8 4.57 480 369 A 43 LEU HBy A 49 ILE HG1y 1.0 1.8 4.57 481 370 A 49 ILE HG2% A 43 LEU HBy 1.0 1.8 3.42 482 370 A 43 LEU HBx A 49 ILE HG2% 1.0 1.8 3.42 483 371 A 43 LEU HD2% A 48 LYS HBy 1.0 1.8 3.95 484 371 A 43 LEU HD2% A 48 LYS HBx 1.0 1.8 3.95 485 372 A 43 LEU HD2% A 48 LYS HDx 1.0 1.8 3.61 486 372 A 43 LEU HD2% A 48 LYS HDy 1.0 1.8 3.61 487 373 A 43 LEU HD2% A 48 LYS HEx 1.0 1.8 4.19 488 373 A 43 LEU HD2% A 48 LYS HEy 1.0 1.8 4.19 489 374 A 43 LEU HD2% A 48 LYS HGy 1.0 1.8 3.82 490 374 A 43 LEU HD2% A 48 LYS HGx 1.0 1.8 3.82 491 375 A 43 LEU HD2% A 48 LYS H 1.0 1.8 5.38 492 376 A 43 LEU HD2% A 49 ILE HG2% 1.0 1.8 4.28 493 377 A 43 LEU HD1% A 43 LEU H 1.0 1.8 4.30 494 378 A 43 LEU HD2% A 43 LEU H 1.0 1.8 4.26 495 379 A 43 LEU HG A 43 LEU H 1.0 1.8 4.16 496 380 A 44 LEU HD1% A 44 LEU HA 1.0 1.8 3.55 497 381 A 44 LEU HD2% A 44 LEU HA 1.0 1.8 5.05 498 382 A 48 LYS H A 44 LEU HA 1.0 1.8 5.43 499 383 A 49 ILE HD1% A 44 LEU HA 1.0 1.8 3.81 500 384 A 44 LEU HA A 49 ILE HG1y 1.0 1.8 4.25 501 384 A 49 ILE HG1x A 44 LEU HA 1.0 1.8 4.25 502 385 A 49 ILE H A 44 LEU HA 1.0 1.8 4.13 503 386 A 45 ARG H A 44 LEU HBy 1.0 1.8 4.23 504 386 A 45 ARG H A 44 LEU HBx 1.0 1.8 4.23 505 387 A 44 LEU HD1% A 44 LEU HBx 1.0 1.8 4.39 506 388 A 44 LEU HD2% A 44 LEU HBx 1.0 1.8 4.53 507 389 A 44 LEU HD1% A 44 LEU HBy 1.0 1.8 4.39 508 390 A 44 LEU HD2% A 44 LEU HBy 1.0 1.8 4.53 509 391 A 128 TRP HZ3 A 44 LEU HD1% 1.0 1.8 4.72 510 392 A 44 LEU HD1% A 49 ILE HD1% 1.0 1.8 4.18 511 393 A 44 LEU HD1% A 50 THR HA 1.0 1.8 4.92 512 394 A 44 LEU HD1% A 51 VAL HA 1.0 1.8 4.03 513 395 A 44 LEU HD1% A 51 VAL H 1.0 1.8 4.94 514 396 A 44 LEU HD1% A 54 PHE HBx 1.0 1.8 4.05 515 396 A 44 LEU HD1% A 54 PHE HBy 1.0 1.8 4.05 516 397 A 44 LEU HD1% A 54 PHE HD% 1.0 1.8 4.91 517 398 A 44 LEU HD1% A 54 PHE H 1.0 1.8 5.31 518 399 A 44 LEU HD2% A 51 VAL HA 1.0 1.8 5.19 519 400 A 44 LEU HD2% A 54 PHE HD% 1.0 1.8 5.13 520 401 A 44 LEU HD1% A 44 LEU H 1.0 1.8 5.46 521 402 A 45 ARG H A 44 LEU H 1.0 1.8 4.65 522 403 A 49 ILE HD1% A 44 LEU H 1.0 1.8 4.41 523 404 A 44 LEU H A 49 ILE HG1y 1.0 1.8 5.52 524 404 A 44 LEU H A 49 ILE HG1x 1.0 1.8 5.52 525 405 A 45 ARG HA A 47 GLY H 1.0 1.8 5.42 526 406 A 45 ARG HBy A 45 ARG HDy 1.0 1.8 3.27 527 406 A 45 ARG HDx A 45 ARG HBx 1.0 1.8 3.27 528 406 A 45 ARG HBy A 45 ARG HDx 1.0 1.8 3.27 529 406 A 45 ARG HBx A 45 ARG HDy 1.0 1.8 3.27 530 407 A 46 ASN H A 45 ARG HBx 1.0 1.8 4.09 531 407 A 45 ARG HBy A 46 ASN H 1.0 1.8 4.09 532 408 A 47 GLY H A 45 ARG HBx 1.0 1.8 5.65 533 408 A 45 ARG HBy A 47 GLY H 1.0 1.8 5.65 534 409 A 45 ARG H A 45 ARG HBx 1.0 1.8 3.58 535 409 A 45 ARG H A 45 ARG HBy 1.0 1.8 3.58 536 410 A 45 ARG H A 46 ASN H 1.0 1.8 4.04 537 411 A 46 ASN H A 46 ASN HBy 1.0 1.8 3.44 538 411 A 46 ASN HBx A 46 ASN H 1.0 1.8 3.44 539 412 A 47 GLY H A 48 LYS HBy 1.0 1.8 5.87 540 412 A 48 LYS HBx A 47 GLY H 1.0 1.8 5.87 541 413 A 48 LYS H A 47 GLY H 1.0 1.8 3.66 542 414 A 49 ILE H A 47 GLY H 1.0 1.8 5.04 543 415 A 48 LYS HA A 48 LYS HDx 1.0 1.8 4.23 544 415 A 48 LYS HDy A 48 LYS HA 1.0 1.8 4.23 545 416 A 48 LYS HA A 48 LYS HEx 1.0 1.8 5.47 546 416 A 48 LYS HEy A 48 LYS HA 1.0 1.8 5.47 547 417 A 48 LYS HA A 48 LYS HGy 1.0 1.8 3.79 548 417 A 48 LYS HGx A 48 LYS HA 1.0 1.8 3.79 549 418 A 49 ILE HG2% A 48 LYS HA 1.0 1.8 5.37 550 419 A 48 LYS HBx A 48 LYS HEx 1.0 1.8 4.40 551 419 A 48 LYS HBy A 48 LYS HEx 1.0 1.8 4.40 552 419 A 48 LYS HEy A 48 LYS HBy 1.0 1.8 4.40 553 419 A 48 LYS HBx A 48 LYS HEy 1.0 1.8 4.40 554 420 A 49 ILE HG2% A 48 LYS HBy 1.0 1.8 5.43 555 420 A 49 ILE HG2% A 48 LYS HBx 1.0 1.8 5.43 556 421 A 49 ILE H A 48 LYS HBy 1.0 1.8 4.08 557 421 A 49 ILE H A 48 LYS HBx 1.0 1.8 4.08 558 422 A 48 LYS HEx A 48 LYS HGy 1.0 1.8 3.54 559 422 A 48 LYS HEy A 48 LYS HGy 1.0 1.8 3.54 560 422 A 48 LYS HGx A 48 LYS HEx 1.0 1.8 3.54 561 422 A 48 LYS HEy A 48 LYS HGx 1.0 1.8 3.54 562 423 A 49 ILE HG2% A 48 LYS HGy 1.0 1.8 6.00 563 423 A 49 ILE HG2% A 48 LYS HGx 1.0 1.8 6.00 564 424 A 49 ILE H A 48 LYS HGy 1.0 1.8 4.72 565 424 A 49 ILE H A 48 LYS HGx 1.0 1.8 4.72 566 425 A 48 LYS H A 48 LYS HDx 1.0 1.8 4.89 567 425 A 48 LYS H A 48 LYS HDy 1.0 1.8 4.89 568 426 A 48 LYS H A 48 LYS HEx 1.0 1.8 5.70 569 426 A 48 LYS H A 48 LYS HEy 1.0 1.8 5.70 570 427 A 48 LYS H A 48 LYS HGy 1.0 1.8 4.00 571 427 A 48 LYS H A 48 LYS HGx 1.0 1.8 4.00 572 428 A 48 LYS H A 49 ILE HG2% 1.0 1.8 5.59 573 429 A 48 LYS H A 49 ILE H 1.0 1.8 3.38 574 430 A 49 ILE HG2% A 49 ILE HA 1.0 1.8 3.34 575 431 A 49 ILE HA A 50 THR HG2% 1.0 1.8 4.55 576 432 A 49 ILE HB A 50 THR H 1.0 1.8 4.25 577 433 A 49 ILE HD1% A 53 GLU HBy 1.0 1.8 4.32 578 433 A 49 ILE HD1% A 53 GLU HBx 1.0 1.8 4.32 579 434 A 49 ILE HD1% A 53 GLU HGy 1.0 1.8 5.28 580 434 A 49 ILE HD1% A 53 GLU HGx 1.0 1.8 5.28 581 435 A 49 ILE HD1% A 53 GLU H 1.0 1.8 5.03 582 436 A 49 ILE HD1% A 54 PHE HA 1.0 1.8 3.93 583 437 A 49 ILE HD1% A 54 PHE HBx 1.0 1.8 4.64 584 437 A 49 ILE HD1% A 54 PHE HBy 1.0 1.8 4.64 585 438 A 54 PHE HD% A 49 ILE HD1% 1.0 1.8 4.46 586 439 A 49 ILE HD1% A 54 PHE H 1.0 1.8 4.13 587 440 A 49 ILE HG2% A 49 ILE HG1y 1.0 1.8 3.59 588 440 A 49 ILE HG2% A 49 ILE HG1x 1.0 1.8 3.59 589 441 A 49 ILE HG2% A 50 THR H 1.0 1.8 4.38 590 442 A 49 ILE HG2% A 53 GLU HGy 1.0 1.8 4.80 591 442 A 49 ILE HG2% A 53 GLU HGx 1.0 1.8 4.80 592 443 A 49 ILE HD1% A 49 ILE H 1.0 1.8 4.97 593 444 A 49 ILE H A 49 ILE HG1y 1.0 1.8 3.44 594 444 A 49 ILE H A 49 ILE HG1x 1.0 1.8 3.44 595 445 A 49 ILE HG2% A 49 ILE H 1.0 1.8 3.48 596 446 A 50 THR HA A 50 THR HG2% 1.0 1.8 3.63 597 447 A 51 VAL H A 50 THR HB 1.0 1.8 4.15 598 448 A 50 THR HB A 52 ARG H 1.0 1.8 4.53 599 449 A 50 THR HG2% A 128 TRP HH2 1.0 1.8 4.05 600 450 A 50 THR HG2% A 128 TRP HZ2 1.0 1.8 4.23 601 451 A 128 TRP HZ3 A 50 THR HG2% 1.0 1.8 5.03 602 452 A 50 THR HG2% A 50 THR HG1 1.0 1.8 3.63 603 453 A 51 VAL H A 50 THR HG2% 1.0 1.8 4.69 604 454 A 50 THR HG2% A 52 ARG H 1.0 1.8 4.88 605 455 A 50 THR HG2% A 50 THR H 1.0 1.8 3.90 606 456 A 51 VAL HA A 51 VAL HG1% 1.0 1.8 3.96 607 457 A 51 VAL HG2% A 51 VAL HA 1.0 1.8 3.90 608 458 A 51 VAL HA A 54 PHE HBx 1.0 1.8 3.81 609 458 A 51 VAL HA A 54 PHE HBy 1.0 1.8 3.81 610 459 A 54 PHE HD% A 51 VAL HA 1.0 1.8 4.98 611 460 A 51 VAL HA A 54 PHE H 1.0 1.8 4.48 612 461 A 128 TRP HA A 51 VAL HB 1.0 1.8 3.83 613 462 A 52 ARG H A 51 VAL HB 1.0 1.8 4.60 614 463 A 128 TRP HA A 51 VAL HG1% 1.0 1.8 4.63 615 464 A 130 VAL HA A 51 VAL HG1% 1.0 1.8 4.29 616 465 A 130 VAL H A 51 VAL HG1% 1.0 1.8 6.05 617 466 A 51 VAL HG1% A 131 PRO HDy 1.0 1.8 4.51 618 466 A 131 PRO HDx A 51 VAL HG1% 1.0 1.8 4.51 619 467 A 52 ARG H A 51 VAL HG1% 1.0 1.8 4.79 620 468 A 51 VAL HG1% A 54 PHE HBx 1.0 1.8 5.19 621 468 A 54 PHE HBy A 51 VAL HG1% 1.0 1.8 5.19 622 469 A 54 PHE HD% A 51 VAL HG1% 1.0 1.8 4.37 623 470 A 54 PHE H A 51 VAL HG1% 1.0 1.8 6.05 624 471 A 128 TRP HA A 51 VAL HG2% 1.0 1.8 4.07 625 472 A 128 TRP HE3 A 51 VAL HG2% 1.0 1.8 3.89 626 473 A 51 VAL HG2% A 128 TRP H 1.0 1.8 5.27 627 474 A 128 TRP HZ3 A 51 VAL HG2% 1.0 1.8 4.69 628 475 A 51 VAL HG2% A 52 ARG H 1.0 1.8 4.83 629 476 A 128 TRP HA A 51 VAL H 1.0 1.8 5.20 630 477 A 128 TRP HE3 A 51 VAL H 1.0 1.8 4.89 631 478 A 51 VAL H A 51 VAL HB 1.0 1.8 4.16 632 479 A 51 VAL H A 51 VAL HG1% 1.0 1.8 5.21 633 480 A 51 VAL HG2% A 51 VAL H 1.0 1.8 4.09 634 481 A 51 VAL H A 52 ARG H 1.0 1.8 4.30 635 482 A 52 ARG HA A 116 ILE HG2% 1.0 1.8 6.00 636 483 A 52 ARG HA A 52 ARG HGy 1.0 1.8 3.96 637 483 A 52 ARG HA A 52 ARG HGx 1.0 1.8 3.96 638 484 A 52 ARG HA A 55 VAL HB 1.0 1.8 4.61 639 485 A 52 ARG HA A 55 VAL HG2% 1.0 1.8 4.79 640 486 A 116 ILE HG2% A 52 ARG HBy 1.0 1.8 4.96 641 486 A 116 ILE HG2% A 52 ARG HBx 1.0 1.8 4.96 642 487 A 116 ILE HG2% A 52 ARG HDy 1.0 1.8 4.76 643 487 A 116 ILE HG2% A 52 ARG HDx 1.0 1.8 4.76 644 488 A 116 ILE HG2% A 52 ARG HGy 1.0 1.8 3.81 645 488 A 116 ILE HG2% A 52 ARG HGx 1.0 1.8 3.81 646 489 A 53 GLU H A 52 ARG HGy 1.0 1.8 5.87 647 489 A 53 GLU H A 52 ARG HGx 1.0 1.8 5.87 648 490 A 52 ARG H A 53 GLU HBy 1.0 1.8 5.85 649 490 A 53 GLU HBx A 52 ARG H 1.0 1.8 5.85 650 491 A 53 GLU H A 52 ARG H 1.0 1.8 4.33 651 492 A 53 GLU HA A 116 ILE HD1% 1.0 1.8 5.84 652 493 A 116 ILE HG2% A 53 GLU HA 1.0 1.8 5.51 653 494 A 53 GLU HA A 56 ARG HBx 1.0 1.8 4.77 654 494 A 53 GLU HA A 56 ARG HBy 1.0 1.8 4.77 655 495 A 53 GLU HA A 56 ARG H 1.0 1.8 4.65 656 496 A 53 GLU HBy A 56 ARG HBx 1.0 1.8 5.00 657 496 A 53 GLU HBx A 56 ARG HBx 1.0 1.8 5.00 658 496 A 56 ARG HBy A 53 GLU HBy 1.0 1.8 5.00 659 496 A 53 GLU HBx A 56 ARG HBy 1.0 1.8 5.00 660 497 A 54 PHE H A 53 GLU HGy 1.0 1.8 5.64 661 497 A 54 PHE H A 53 GLU HGx 1.0 1.8 5.64 662 498 A 53 GLU H A 116 ILE HG2% 1.0 1.8 5.81 663 499 A 53 GLU HBx A 53 GLU H 1.0 1.8 4.28 664 500 A 53 GLU H A 53 GLU HBy 1.0 1.8 4.28 665 501 A 53 GLU H A 53 GLU HGy 1.0 1.8 3.97 666 501 A 53 GLU HGx A 53 GLU H 1.0 1.8 3.97 667 502 A 54 PHE H A 53 GLU H 1.0 1.8 4.19 668 503 A 54 PHE HD% A 54 PHE HA 1.0 1.8 4.16 669 504 A 57 ALA HB% A 54 PHE HA 1.0 1.8 3.92 670 505 A 54 PHE HA A 57 ALA H 1.0 1.8 4.30 671 506 A 55 VAL HG2% A 54 PHE HBx 1.0 1.8 5.56 672 506 A 54 PHE HBy A 55 VAL HG2% 1.0 1.8 5.56 673 507 A 55 VAL H A 54 PHE HBx 1.0 1.8 4.57 674 507 A 54 PHE HBy A 55 VAL H 1.0 1.8 4.57 675 508 A 57 ALA HB% A 54 PHE HBx 1.0 1.8 5.87 676 508 A 57 ALA HB% A 54 PHE HBy 1.0 1.8 5.87 677 509 A 130 VAL HG2% A 54 PHE HD% 1.0 1.8 6.05 678 510 A 54 PHE HD% A 55 VAL HG2% 1.0 1.8 5.10 679 511 A 54 PHE HD% A 57 ALA HB% 1.0 1.8 4.47 680 512 A 54 PHE HD% A 58 VAL HG2% 1.0 1.8 4.86 681 513 A 54 PHE H A 54 PHE HBx 1.0 1.8 4.09 682 514 A 54 PHE HBy A 54 PHE H 1.0 1.8 4.09 683 515 A 54 PHE HD% A 54 PHE H 1.0 1.8 4.81 684 516 A 54 PHE H A 55 VAL HB 1.0 1.8 6.05 685 517 A 54 PHE H A 55 VAL HG2% 1.0 1.8 5.24 686 518 A 54 PHE H A 55 VAL H 1.0 1.8 4.17 687 519 A 55 VAL HA A 55 VAL HG1% 1.0 1.8 3.65 688 520 A 55 VAL HA A 55 VAL HG2% 1.0 1.8 3.48 689 521 A 55 VAL HA A 57 ALA H 1.0 1.8 5.35 690 522 A 55 VAL HA A 58 VAL HB 1.0 1.8 5.00 691 523 A 55 VAL HA A 58 VAL HG2% 1.0 1.8 4.49 692 524 A 55 VAL HA A 58 VAL H 1.0 1.8 4.89 693 525 A 55 VAL HA A 59 ALA H 1.0 1.8 5.06 694 526 A 55 VAL HA A 85 LEU HD2% 1.0 1.8 5.22 695 527 A 55 VAL HB A 56 ARG H 1.0 1.8 4.10 696 528 A 55 VAL HB A 57 ALA H 1.0 1.8 6.05 697 529 A 55 VAL HG1% A 112 ILE HG2% 1.0 1.8 5.89 698 530 A 55 VAL HG1% A 131 PRO HGy 1.0 1.8 4.04 699 530 A 55 VAL HG1% A 131 PRO HGx 1.0 1.8 4.04 700 531 A 56 ARG H A 55 VAL HG1% 1.0 1.8 4.47 701 532 A 55 VAL HG1% A 85 LEU HD1% 1.0 1.8 5.09 702 533 A 55 VAL HG1% A 85 LEU HD2% 1.0 1.8 2.97 703 534 A 55 VAL HG2% A 131 PRO HBx 1.0 1.8 5.44 704 534 A 55 VAL HG2% A 131 PRO HBy 1.0 1.8 5.44 705 535 A 55 VAL HG2% A 131 PRO HDy 1.0 1.8 3.90 706 535 A 131 PRO HDx A 55 VAL HG2% 1.0 1.8 3.90 707 536 A 55 VAL HG2% A 131 PRO HGy 1.0 1.8 4.98 708 536 A 55 VAL HG2% A 131 PRO HGx 1.0 1.8 4.98 709 537 A 55 VAL HG2% A 56 ARG H 1.0 1.8 4.41 710 538 A 55 VAL HG2% A 85 LEU HA 1.0 1.8 5.89 711 539 A 55 VAL HG2% A 85 LEU HD2% 1.0 1.8 4.33 712 540 A 55 VAL HB A 55 VAL H 1.0 1.8 3.99 713 541 A 55 VAL H A 55 VAL HG1% 1.0 1.8 4.40 714 542 A 55 VAL HG2% A 55 VAL H 1.0 1.8 3.56 715 543 A 56 ARG H A 55 VAL H 1.0 1.8 4.43 716 544 A 112 ILE HG2% A 56 ARG HA 1.0 1.8 4.70 717 545 A 116 ILE HD1% A 56 ARG HA 1.0 1.8 3.74 718 546 A 56 ARG HA A 59 ALA HB% 1.0 1.8 4.35 719 547 A 56 ARG HA A 60 LYS H 1.0 1.8 5.67 720 548 A 116 ILE HD1% A 56 ARG HBx 1.0 1.8 4.86 721 548 A 116 ILE HD1% A 56 ARG HBy 1.0 1.8 4.86 722 549 A 56 ARG HBy A 116 ILE HG1y 1.0 1.8 4.51 723 549 A 56 ARG HBx A 116 ILE HG1y 1.0 1.8 4.51 724 549 A 116 ILE HG1x A 56 ARG HBx 1.0 1.8 4.51 725 549 A 56 ARG HBy A 116 ILE HG1x 1.0 1.8 4.51 726 550 A 116 ILE HG2% A 56 ARG HBx 1.0 1.8 4.17 727 550 A 116 ILE HG2% A 56 ARG HBy 1.0 1.8 4.17 728 551 A 57 ALA H A 56 ARG HBx 1.0 1.8 4.25 729 551 A 56 ARG HBy A 57 ALA H 1.0 1.8 4.25 730 552 A 116 ILE HG2% A 56 ARG HDy 1.0 1.8 4.50 731 552 A 116 ILE HG2% A 56 ARG HDx 1.0 1.8 4.50 732 553 A 56 ARG HGy A 116 ILE HG1y 1.0 1.8 5.06 733 553 A 56 ARG HGx A 116 ILE HG1y 1.0 1.8 5.06 734 553 A 116 ILE HG1x A 56 ARG HGy 1.0 1.8 5.06 735 553 A 116 ILE HG1x A 56 ARG HGx 1.0 1.8 5.06 736 554 A 57 ALA HA A 56 ARG HGy 1.0 1.8 4.46 737 554 A 56 ARG HGx A 57 ALA HA 1.0 1.8 4.46 738 555 A 57 ALA H A 56 ARG HGy 1.0 1.8 4.66 739 555 A 57 ALA H A 56 ARG HGx 1.0 1.8 4.66 740 556 A 116 ILE HD1% A 56 ARG H 1.0 1.8 4.83 741 557 A 116 ILE HG2% A 56 ARG H 1.0 1.8 5.10 742 558 A 56 ARG H A 57 ALA H 1.0 1.8 3.93 743 559 A 58 VAL H A 56 ARG H 1.0 1.8 4.96 744 560 A 56 ARG H A 59 ALA HB% 1.0 1.8 5.46 745 561 A 57 ALA HA A 60 LYS HDy 1.0 1.8 4.61 746 561 A 57 ALA HA A 60 LYS HDx 1.0 1.8 4.61 747 562 A 60 LYS H A 57 ALA HA 1.0 1.8 4.77 748 563 A 57 ALA HB% A 58 VAL HA 1.0 1.8 5.12 749 564 A 58 VAL HG2% A 57 ALA HB% 1.0 1.8 4.43 750 565 A 57 ALA HB% A 58 VAL H 1.0 1.8 3.92 751 566 A 116 ILE HD1% A 57 ALA H 1.0 1.8 5.53 752 567 A 57 ALA HB% A 57 ALA H 1.0 1.8 3.18 753 568 A 58 VAL HG2% A 57 ALA H 1.0 1.8 4.77 754 569 A 58 VAL H A 57 ALA H 1.0 1.8 3.71 755 570 A 57 ALA H A 59 ALA HB% 1.0 1.8 5.37 756 571 A 58 VAL HG1% A 58 VAL HA 1.0 1.8 3.62 757 572 A 58 VAL HG2% A 58 VAL HA 1.0 1.8 3.62 758 573 A 58 VAL HA A 61 SER HBy 1.0 1.8 4.64 759 573 A 58 VAL HA A 61 SER HBx 1.0 1.8 4.64 760 574 A 58 VAL HA A 61 SER HG 1.0 1.8 4.82 761 575 A 58 VAL HA A 61 SER H 1.0 1.8 4.19 762 576 A 58 VAL HB A 59 ALA H 1.0 1.8 4.10 763 577 A 58 VAL HG1% A 61 SER HG 1.0 1.8 4.86 764 578 A 58 VAL HG2% A 59 ALA H 1.0 1.8 4.68 765 579 A 58 VAL HB A 58 VAL H 1.0 1.8 3.85 766 580 A 58 VAL HG1% A 58 VAL H 1.0 1.8 4.18 767 581 A 58 VAL HG2% A 58 VAL H 1.0 1.8 3.59 768 582 A 58 VAL H A 59 ALA H 1.0 1.8 3.96 769 583 A 112 ILE HG2% A 59 ALA HA 1.0 1.8 5.38 770 584 A 59 ALA HB% A 112 ILE HD1% 1.0 1.8 3.93 771 585 A 112 ILE HG2% A 59 ALA HB% 1.0 1.8 3.36 772 586 A 59 ALA HB% A 60 LYS H 1.0 1.8 3.90 773 587 A 61 SER H A 59 ALA HB% 1.0 1.8 5.31 774 588 A 85 LEU HD1% A 59 ALA HB% 1.0 1.8 3.38 775 589 A 85 LEU HD2% A 59 ALA HB% 1.0 1.8 2.88 776 590 A 59 ALA H A 112 ILE HG2% 1.0 1.8 5.50 777 591 A 59 ALA H A 59 ALA HB% 1.0 1.8 3.31 778 592 A 59 ALA H A 60 LYS H 1.0 1.8 4.20 779 593 A 59 ALA H A 85 LEU HD2% 1.0 1.8 4.94 780 594 A 60 LYS HA A 108 PHE HD% 1.0 1.8 4.83 781 595 A 112 ILE HD1% A 60 LYS HA 1.0 1.8 5.46 782 596 A 112 ILE HG2% A 60 LYS HA 1.0 1.8 4.89 783 597 A 60 LYS HA A 60 LYS HDy 1.0 1.8 4.86 784 597 A 60 LYS HDx A 60 LYS HA 1.0 1.8 4.86 785 598 A 60 LYS HA A 60 LYS HGx 1.0 1.8 4.44 786 599 A 60 LYS HA A 60 LYS HGy 1.0 1.8 4.44 787 600 A 108 PHE HD% A 60 LYS HBy 1.0 1.8 5.76 788 600 A 108 PHE HD% A 60 LYS HBx 1.0 1.8 5.76 789 601 A 109 ASP HA A 60 LYS HBy 1.0 1.8 5.00 790 601 A 60 LYS HBx A 109 ASP HA 1.0 1.8 5.00 791 602 A 112 ILE HG2% A 60 LYS HBy 1.0 1.8 5.02 792 602 A 112 ILE HG2% A 60 LYS HBx 1.0 1.8 5.02 793 603 A 60 LYS HBy A 60 LYS HDy 1.0 1.8 3.62 794 603 A 60 LYS HBx A 60 LYS HDy 1.0 1.8 3.62 795 603 A 60 LYS HDx A 60 LYS HBy 1.0 1.8 3.62 796 603 A 60 LYS HDx A 60 LYS HBx 1.0 1.8 3.62 797 604 A 60 LYS HBx A 60 LYS HEx 1.0 1.8 4.17 798 604 A 60 LYS HBy A 60 LYS HEx 1.0 1.8 4.17 799 604 A 60 LYS HEy A 60 LYS HBy 1.0 1.8 4.17 800 604 A 60 LYS HBx A 60 LYS HEy 1.0 1.8 4.17 801 605 A 109 ASP HA A 60 LYS HDy 1.0 1.8 5.87 802 605 A 60 LYS HDx A 109 ASP HA 1.0 1.8 5.87 803 606 A 112 ILE HG2% A 60 LYS HDy 1.0 1.8 5.38 804 606 A 112 ILE HG2% A 60 LYS HDx 1.0 1.8 5.38 805 607 A 109 ASP HA A 60 LYS HEx 1.0 1.8 4.52 806 607 A 109 ASP HA A 60 LYS HEy 1.0 1.8 4.52 807 608 A 112 ILE HB A 60 LYS HEx 1.0 1.8 4.49 808 608 A 60 LYS HEy A 112 ILE HB 1.0 1.8 4.49 809 609 A 112 ILE HG2% A 60 LYS HEx 1.0 1.8 4.29 810 609 A 112 ILE HG2% A 60 LYS HEy 1.0 1.8 4.29 811 610 A 113 ASP H A 60 LYS HEx 1.0 1.8 5.87 812 610 A 60 LYS HEy A 113 ASP H 1.0 1.8 5.87 813 611 A 112 ILE HG2% A 60 LYS HEx 1.0 1.8 5.06 814 612 A 112 ILE HG2% A 60 LYS HEy 1.0 1.8 5.06 815 613 A 112 ILE HG2% A 60 LYS HGx 1.0 1.8 4.46 816 613 A 112 ILE HG2% A 60 LYS HGy 1.0 1.8 4.46 817 614 A 61 SER H A 60 LYS HGx 1.0 1.8 5.79 818 614 A 61 SER H A 60 LYS HGy 1.0 1.8 5.79 819 615 A 60 LYS H A 112 ILE HD1% 1.0 1.8 4.87 820 616 A 112 ILE HG2% A 60 LYS H 1.0 1.8 4.74 821 617 A 60 LYS H A 60 LYS HBy 1.0 1.8 3.90 822 617 A 60 LYS H A 60 LYS HBx 1.0 1.8 3.90 823 618 A 60 LYS H A 60 LYS HDy 1.0 1.8 4.89 824 618 A 60 LYS H A 60 LYS HDx 1.0 1.8 4.89 825 619 A 60 LYS H A 60 LYS HGx 1.0 1.8 4.35 826 619 A 60 LYS H A 60 LYS HGy 1.0 1.8 4.35 827 620 A 61 SER H A 60 LYS H 1.0 1.8 3.71 828 621 A 61 SER H A 112 ILE HD1% 1.0 1.8 5.92 829 622 A 61 SER HG A 61 SER H 1.0 1.8 3.77 830 623 A 62 GLU H A 62 GLU HGx 1.0 1.8 4.60 831 623 A 62 GLU H A 62 GLU HGy 1.0 1.8 4.60 832 624 A 63 LEU HDy% A 64 TYR HBy 1.0 1.8 6.00 833 624 A 63 LEU HDx% A 64 TYR HBy 1.0 1.8 6.00 834 624 A 64 TYR HBx A 63 LEU HDx% 1.0 1.8 6.00 835 624 A 63 LEU HDy% A 64 TYR HBx 1.0 1.8 6.00 836 625 A 64 TYR HD% A 63 LEU HDx% 1.0 1.8 6.00 837 625 A 63 LEU HDy% A 64 TYR HD% 1.0 1.8 6.00 838 626 A 64 TYR HD% A 64 TYR HA 1.0 1.8 4.21 839 627 A 64 TYR HA A 68 PHE HE% 1.0 1.8 5.52 840 628 A 68 PHE HE% A 64 TYR HBy 1.0 1.8 6.00 841 628 A 64 TYR HBx A 68 PHE HE% 1.0 1.8 6.00 842 629 A 65 LYS HA A 69 LEU HBy 1.0 1.8 3.83 843 629 A 65 LYS HA A 69 LEU HBx 1.0 1.8 3.83 844 630 A 65 LYS HA A 69 LEU HD2% 1.0 1.8 4.37 845 631 A 69 LEU HD2% A 65 LYS HDy 1.0 1.8 4.05 846 631 A 69 LEU HD2% A 65 LYS HDx 1.0 1.8 4.05 847 632 A 69 LEU HD2% A 65 LYS HEx 1.0 1.8 4.73 848 633 A 69 LEU HD2% A 65 LYS HEy 1.0 1.8 4.73 849 634 A 68 PHE HA A 68 PHE HD% 1.0 1.8 4.69 850 635 A 68 PHE HA A 80 LEU HD1% 1.0 1.8 4.42 851 636 A 80 LEU HD1% A 68 PHE HBy 1.0 1.8 4.27 852 636 A 80 LEU HD1% A 68 PHE HBx 1.0 1.8 4.27 853 637 A 68 PHE HD% A 80 LEU HD1% 1.0 1.8 4.22 854 638 A 68 PHE HD% A 80 LEU HD2% 1.0 1.8 5.40 855 639 A 69 LEU HA A 69 LEU HD1% 1.0 1.8 3.67 856 640 A 69 LEU HA A 77 VAL HG1% 1.0 1.8 5.14 857 641 A 69 LEU HA A 77 VAL HG2% 1.0 1.8 3.85 858 642 A 69 LEU HD2% A 69 LEU HBy 1.0 1.8 3.08 859 642 A 69 LEU HBx A 69 LEU HD2% 1.0 1.8 3.08 860 643 A 77 VAL HG1% A 69 LEU HBy 1.0 1.8 3.92 861 643 A 69 LEU HBx A 77 VAL HG1% 1.0 1.8 3.92 862 644 A 69 LEU HD1% A 103 TYR HD% 1.0 1.8 5.59 863 645 A 69 LEU HD1% A 103 TYR HE% 1.0 1.8 4.31 864 646 A 108 PHE HD% A 69 LEU HD1% 1.0 1.8 5.13 865 647 A 69 LEU HD1% A 77 VAL HG2% 1.0 1.8 3.69 866 648 A 69 LEU HD2% A 103 TYR HE% 1.0 1.8 5.74 867 649 A 69 LEU HD2% A 108 PHE HBx 1.0 1.8 5.87 868 649 A 69 LEU HD2% A 108 PHE HBy 1.0 1.8 5.87 869 650 A 69 LEU HD2% A 77 VAL HG1% 1.0 1.8 4.92 870 651 A 69 LEU HD2% A 77 VAL HG2% 1.0 1.8 5.05 871 652 A 75 THR H A 73 PHE HBy 1.0 1.8 5.38 872 652 A 73 PHE HBx A 75 THR H 1.0 1.8 5.38 873 653 A 73 PHE HD% A 75 THR HG2% 1.0 1.8 6.00 874 654 A 77 VAL HG1% A 74 GLN HA 1.0 1.8 5.31 875 655 A 77 VAL HG2% A 74 GLN HA 1.0 1.8 3.96 876 656 A 74 GLN HA A 77 VAL H 1.0 1.8 4.88 877 657 A 74 GLN HBx A 74 GLN HE2x 1.0 1.8 4.63 878 657 A 74 GLN HBy A 74 GLN HE2x 1.0 1.8 4.63 879 657 A 74 GLN HE2y A 74 GLN HBx 1.0 1.8 4.63 880 657 A 74 GLN HBy A 74 GLN HE2y 1.0 1.8 4.63 881 658 A 78 ILE HD1% A 74 GLN HBx 1.0 1.8 4.64 882 658 A 74 GLN HBy A 78 ILE HD1% 1.0 1.8 4.64 883 659 A 77 VAL HG1% A 74 GLN HE2x 1.0 1.8 4.57 884 659 A 77 VAL HG1% A 74 GLN HE2y 1.0 1.8 4.57 885 660 A 75 THR HA A 100 LEU HD1% 1.0 1.8 4.42 886 661 A 75 THR HA A 100 LEU HD2% 1.0 1.8 4.69 887 662 A 75 THR HG2% A 75 THR HA 1.0 1.8 3.40 888 663 A 75 THR HA A 78 ILE HB 1.0 1.8 4.88 889 664 A 78 ILE HD1% A 75 THR HA 1.0 1.8 3.94 890 665 A 75 THR HA A 96 VAL HG1% 1.0 1.8 4.30 891 666 A 75 THR HB A 76 ARG H 1.0 1.8 4.89 892 667 A 96 VAL HG1% A 75 THR HB 1.0 1.8 4.53 893 668 A 75 THR HG2% A 100 LEU HD1% 1.0 1.8 4.00 894 669 A 75 THR HG2% A 100 LEU HD2% 1.0 1.8 6.00 895 670 A 75 THR HG2% A 100 LEU HG 1.0 1.8 6.00 896 671 A 75 THR HG2% A 76 ARG H 1.0 1.8 4.72 897 672 A 75 THR HG2% A 78 ILE HD1% 1.0 1.8 5.00 898 673 A 75 THR HG2% A 96 VAL HG1% 1.0 1.8 3.30 899 674 A 75 THR H A 75 THR HG2% 1.0 1.8 3.80 900 675 A 75 THR H A 76 ARG H 1.0 1.8 5.24 901 676 A 76 ARG HA A 77 VAL HA 1.0 1.8 5.54 902 677 A 76 ARG HA A 79 GLU HBy 1.0 1.8 4.74 903 677 A 76 ARG HA A 79 GLU HBx 1.0 1.8 4.74 904 678 A 76 ARG HA A 79 GLU HGy 1.0 1.8 4.63 905 678 A 76 ARG HA A 79 GLU HGx 1.0 1.8 4.63 906 679 A 76 ARG HA A 79 GLU H 1.0 1.8 4.72 907 680 A 77 VAL H A 76 ARG H 1.0 1.8 4.60 908 681 A 77 VAL HG1% A 77 VAL HA 1.0 1.8 3.64 909 682 A 77 VAL HG2% A 77 VAL HA 1.0 1.8 3.84 910 683 A 77 VAL HA A 80 LEU HBy 1.0 1.8 4.60 911 683 A 77 VAL HA A 80 LEU HBx 1.0 1.8 4.60 912 684 A 80 LEU HD1% A 77 VAL HA 1.0 1.8 3.75 913 685 A 80 LEU HD2% A 77 VAL HA 1.0 1.8 5.50 914 686 A 77 VAL HA A 80 LEU HG 1.0 1.8 4.72 915 687 A 77 VAL HA A 80 LEU H 1.0 1.8 5.35 916 688 A 77 VAL HB A 78 ILE H 1.0 1.8 4.63 917 689 A 77 VAL HG1% A 78 ILE HA 1.0 1.8 5.10 918 690 A 77 VAL HG1% A 78 ILE H 1.0 1.8 5.22 919 691 A 77 VAL HG1% A 81 ASN HD2y 1.0 1.8 3.97 920 691 A 77 VAL HG1% A 81 ASN HD2x 1.0 1.8 3.97 921 692 A 77 VAL HG2% A 78 ILE H 1.0 1.8 4.41 922 693 A 77 VAL H A 77 VAL HB 1.0 1.8 4.29 923 694 A 77 VAL HG1% A 77 VAL H 1.0 1.8 4.23 924 695 A 77 VAL HG2% A 77 VAL H 1.0 1.8 3.65 925 696 A 77 VAL H A 78 ILE H 1.0 1.8 4.73 926 697 A 78 ILE HD1% A 78 ILE HA 1.0 1.8 4.62 927 698 A 78 ILE HA A 78 ILE HG2% 1.0 1.8 3.64 928 699 A 78 ILE HB A 79 GLU H 1.0 1.8 3.71 929 700 A 78 ILE HD1% A 100 LEU HA 1.0 1.8 3.78 930 701 A 78 ILE HD1% A 100 LEU HD1% 1.0 1.8 4.31 931 702 A 78 ILE HD1% A 100 LEU HD2% 1.0 1.8 3.74 932 703 A 78 ILE HD1% A 100 LEU HG 1.0 1.8 4.06 933 704 A 78 ILE HD1% A 100 LEU H 1.0 1.8 4.10 934 705 A 78 ILE HD1% A 96 VAL HG1% 1.0 1.8 3.87 935 706 A 78 ILE HD1% A 99 HIS HBx 1.0 1.8 3.72 936 706 A 78 ILE HD1% A 99 HIS HBy 1.0 1.8 3.72 937 707 A 78 ILE HD1% A 99 HIS H 1.0 1.8 4.79 938 708 A 100 LEU HA A 78 ILE HG1y 1.0 1.8 5.08 939 708 A 100 LEU HA A 78 ILE HG1x 1.0 1.8 5.08 940 709 A 78 ILE HG1y A 99 HIS HBx 1.0 1.8 5.03 941 709 A 78 ILE HG1x A 99 HIS HBx 1.0 1.8 5.03 942 709 A 99 HIS HBy A 78 ILE HG1y 1.0 1.8 5.03 943 709 A 99 HIS HBy A 78 ILE HG1x 1.0 1.8 5.03 944 710 A 78 ILE HG2% A 100 LEU H 1.0 1.8 6.00 945 711 A 78 ILE HD1% A 78 ILE HG2% 1.0 1.8 3.52 946 712 A 78 ILE HG2% A 78 ILE HG1y 1.0 1.8 3.74 947 712 A 78 ILE HG2% A 78 ILE HG1x 1.0 1.8 3.74 948 713 A 79 GLU H A 78 ILE HG2% 1.0 1.8 4.28 949 714 A 78 ILE HG2% A 82 TYR HD% 1.0 1.8 4.53 950 715 A 78 ILE HG2% A 82 TYR HE% 1.0 1.8 4.20 951 716 A 78 ILE HG2% A 96 VAL HA 1.0 1.8 4.05 952 717 A 78 ILE HG2% A 99 HIS HBx 1.0 1.8 4.48 953 718 A 78 ILE HG2% A 99 HIS HBy 1.0 1.8 4.48 954 719 A 78 ILE HG2% A 99 HIS H 1.0 1.8 4.96 955 720 A 78 ILE HB A 78 ILE H 1.0 1.8 4.28 956 721 A 78 ILE HD1% A 78 ILE H 1.0 1.8 4.72 957 722 A 78 ILE H A 78 ILE HG1y 1.0 1.8 4.33 958 722 A 78 ILE H A 78 ILE HG1x 1.0 1.8 4.33 959 723 A 78 ILE H A 78 ILE HG2% 1.0 1.8 4.77 960 724 A 79 GLU H A 78 ILE H 1.0 1.8 4.22 961 725 A 79 GLU HGx A 79 GLU HA 1.0 1.8 4.57 962 726 A 79 GLU HA A 79 GLU HGy 1.0 1.8 4.57 963 727 A 79 GLU HA A 82 TYR HBx 1.0 1.8 4.86 964 727 A 79 GLU HA A 82 TYR HBy 1.0 1.8 4.86 965 728 A 82 TYR HD% A 79 GLU HA 1.0 1.8 4.97 966 729 A 79 GLU HA A 82 TYR H 1.0 1.8 4.73 967 730 A 79 GLU HA A 90 PRO HDx 1.0 1.8 4.25 968 730 A 79 GLU HA A 90 PRO HDy 1.0 1.8 4.25 969 731 A 79 GLU HA A 90 PRO HGy 1.0 1.8 5.74 970 731 A 79 GLU HA A 90 PRO HGx 1.0 1.8 5.74 971 732 A 79 GLU HBy A 90 PRO HDx 1.0 1.8 4.61 972 732 A 79 GLU HBx A 90 PRO HDx 1.0 1.8 4.61 973 732 A 90 PRO HDy A 79 GLU HBy 1.0 1.8 4.61 974 732 A 79 GLU HBx A 90 PRO HDy 1.0 1.8 4.61 975 733 A 79 GLU HBx A 80 LEU H 1.0 1.8 4.63 976 734 A 80 LEU H A 79 GLU HBy 1.0 1.8 4.63 977 735 A 80 LEU H A 79 GLU HGy 1.0 1.8 5.12 978 735 A 79 GLU HGx A 80 LEU H 1.0 1.8 5.12 979 736 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.71 980 736 A 79 GLU HBx A 79 GLU H 1.0 1.8 3.71 981 737 A 79 GLU H A 79 GLU HGy 1.0 1.8 3.82 982 737 A 79 GLU HGx A 79 GLU H 1.0 1.8 3.82 983 738 A 79 GLU H A 80 LEU H 1.0 1.8 4.20 984 739 A 79 GLU H A 90 PRO HGy 1.0 1.8 6.05 985 739 A 79 GLU H A 90 PRO HGx 1.0 1.8 6.05 986 740 A 80 LEU HD2% A 80 LEU HA 1.0 1.8 3.48 987 741 A 80 LEU HG A 80 LEU HA 1.0 1.8 3.92 988 742 A 80 LEU HA A 83 LYS HBy 1.0 1.8 4.54 989 742 A 80 LEU HA A 83 LYS HBx 1.0 1.8 4.54 990 743 A 80 LEU HD2% A 80 LEU H 1.0 1.8 4.60 991 744 A 80 LEU HG A 80 LEU H 1.0 1.8 4.53 992 745 A 80 LEU H A 81 ASN H 1.0 1.8 5.51 993 746 A 81 ASN HA A 84 HIS H 1.0 1.8 5.75 994 747 A 85 LEU HD1% A 81 ASN HA 1.0 1.8 4.71 995 748 A 81 ASN HA A 85 LEU H 1.0 1.8 5.42 996 749 A 82 TYR H A 81 ASN HBy 1.0 1.8 4.19 997 749 A 82 TYR H A 81 ASN HBx 1.0 1.8 4.19 998 750 A 85 LEU HG A 81 ASN HBy 1.0 1.8 4.70 999 750 A 81 ASN HBx A 85 LEU HG 1.0 1.8 4.70 1000 751 A 82 TYR H A 81 ASN H 1.0 1.8 4.74 1001 752 A 82 TYR HD% A 82 TYR HA 1.0 1.8 4.41 1002 753 A 85 LEU H A 82 TYR HA 1.0 1.8 5.19 1003 754 A 82 TYR HA A 86 LEU HBy 1.0 1.8 4.52 1004 754 A 82 TYR HA A 86 LEU HBx 1.0 1.8 4.52 1005 755 A 82 TYR HA A 86 LEU HD1% 1.0 1.8 4.22 1006 756 A 82 TYR HA A 86 LEU HG 1.0 1.8 4.77 1007 757 A 82 TYR HA A 86 LEU H 1.0 1.8 4.79 1008 758 A 82 TYR HBy A 83 LYS HBy 1.0 1.8 5.70 1009 758 A 82 TYR HBx A 83 LYS HBy 1.0 1.8 5.70 1010 758 A 83 LYS HBx A 82 TYR HBx 1.0 1.8 5.70 1011 758 A 82 TYR HBy A 83 LYS HBx 1.0 1.8 5.70 1012 759 A 83 LYS H A 82 TYR HBx 1.0 1.8 4.19 1013 759 A 82 TYR HBy A 83 LYS H 1.0 1.8 4.19 1014 760 A 82 TYR HD% A 86 LEU HD1% 1.0 1.8 3.89 1015 761 A 82 TYR HD% A 86 LEU HG 1.0 1.8 5.51 1016 762 A 82 TYR HD% A 90 PRO HBx 1.0 1.8 5.06 1017 762 A 82 TYR HD% A 90 PRO HBy 1.0 1.8 5.06 1018 763 A 82 TYR HE% A 86 LEU HD1% 1.0 1.8 3.73 1019 764 A 82 TYR HE% A 99 HIS HD2 1.0 1.8 4.38 1020 765 A 82 TYR H A 82 TYR HBx 1.0 1.8 4.16 1021 766 A 82 TYR HBy A 82 TYR H 1.0 1.8 4.16 1022 767 A 82 TYR HD% A 82 TYR H 1.0 1.8 4.49 1023 768 A 82 TYR H A 83 LYS H 1.0 1.8 3.79 1024 769 A 82 TYR H A 84 HIS H 1.0 1.8 5.33 1025 770 A 82 TYR H A 86 LEU HD1% 1.0 1.8 6.00 1026 771 A 83 LYS HA A 83 LYS HGy 1.0 1.8 3.76 1027 771 A 83 LYS HA A 83 LYS HGx 1.0 1.8 3.76 1028 772 A 83 LYS HA A 87 GLY H 1.0 1.8 4.93 1029 773 A 83 LYS HA A 88 ARG H 1.0 1.8 3.59 1030 774 A 84 HIS H A 83 LYS HBy 1.0 1.8 4.28 1031 774 A 83 LYS HBx A 84 HIS H 1.0 1.8 4.28 1032 775 A 87 GLY H A 83 LYS HBy 1.0 1.8 5.87 1033 775 A 83 LYS HBx A 87 GLY H 1.0 1.8 5.87 1034 776 A 89 ALA HB% A 83 LYS HEx 1.0 1.8 6.00 1035 776 A 83 LYS HEy A 89 ALA HB% 1.0 1.8 6.00 1036 777 A 83 LYS HEy A 83 LYS HGy 1.0 1.8 3.67 1037 777 A 83 LYS HEx A 83 LYS HGy 1.0 1.8 3.67 1038 777 A 83 LYS HGx A 83 LYS HEx 1.0 1.8 3.67 1039 777 A 83 LYS HGx A 83 LYS HEy 1.0 1.8 3.67 1040 778 A 83 LYS HBx A 83 LYS H 1.0 1.8 4.22 1041 779 A 83 LYS H A 83 LYS HBy 1.0 1.8 4.22 1042 780 A 83 LYS H A 83 LYS HDy 1.0 1.8 4.84 1043 780 A 83 LYS H A 83 LYS HDx 1.0 1.8 4.84 1044 781 A 83 LYS H A 83 LYS HGy 1.0 1.8 4.51 1045 781 A 83 LYS H A 83 LYS HGx 1.0 1.8 4.51 1046 782 A 84 HIS H A 83 LYS H 1.0 1.8 4.43 1047 783 A 85 LEU HD2% A 84 HIS HBx 1.0 1.8 4.36 1048 783 A 85 LEU HD2% A 84 HIS HBy 1.0 1.8 4.36 1049 784 A 85 LEU HG A 84 HIS HBx 1.0 1.8 4.39 1050 784 A 85 LEU HG A 84 HIS HBy 1.0 1.8 4.39 1051 785 A 85 LEU H A 84 HIS HBx 1.0 1.8 4.88 1052 786 A 85 LEU H A 84 HIS HBy 1.0 1.8 4.88 1053 787 A 84 HIS H A 85 LEU HG 1.0 1.8 5.57 1054 788 A 84 HIS H A 85 LEU H 1.0 1.8 4.81 1055 789 A 85 LEU HA A 131 PRO HBx 1.0 1.8 4.98 1056 789 A 131 PRO HBy A 85 LEU HA 1.0 1.8 4.98 1057 790 A 85 LEU HA A 131 PRO HGy 1.0 1.8 4.55 1058 790 A 131 PRO HGx A 85 LEU HA 1.0 1.8 4.55 1059 791 A 85 LEU HD1% A 85 LEU HA 1.0 1.8 4.70 1060 792 A 85 LEU HD2% A 85 LEU HA 1.0 1.8 3.56 1061 793 A 85 LEU HA A 85 LEU HG 1.0 1.8 4.19 1062 794 A 85 LEU HBx A 115 TYR HBx 1.0 1.8 5.09 1063 794 A 85 LEU HBy A 115 TYR HBx 1.0 1.8 5.09 1064 794 A 115 TYR HBy A 85 LEU HBy 1.0 1.8 5.09 1065 794 A 85 LEU HBx A 115 TYR HBy 1.0 1.8 5.09 1066 795 A 85 LEU HD1% A 85 LEU HBy 1.0 1.8 3.45 1067 795 A 85 LEU HD1% A 85 LEU HBx 1.0 1.8 3.45 1068 796 A 85 LEU HD2% A 85 LEU HBy 1.0 1.8 3.61 1069 796 A 85 LEU HD2% A 85 LEU HBx 1.0 1.8 3.61 1070 797 A 86 LEU HA A 85 LEU HBy 1.0 1.8 5.58 1071 797 A 85 LEU HBx A 86 LEU HA 1.0 1.8 5.58 1072 798 A 87 GLY H A 85 LEU HBy 1.0 1.8 5.12 1073 798 A 87 GLY H A 85 LEU HBx 1.0 1.8 5.12 1074 799 A 86 LEU H A 85 LEU HBx 1.0 1.8 5.52 1075 800 A 86 LEU H A 85 LEU HBy 1.0 1.8 5.52 1076 801 A 85 LEU HD1% A 112 ILE HA 1.0 1.8 5.28 1077 802 A 112 ILE HG2% A 85 LEU HD1% 1.0 1.8 4.51 1078 803 A 85 LEU HD1% A 115 TYR HBx 1.0 1.8 3.97 1079 803 A 85 LEU HD1% A 115 TYR HBy 1.0 1.8 3.97 1080 804 A 85 LEU HD1% A 115 TYR HD% 1.0 1.8 4.66 1081 805 A 85 LEU HD1% A 86 LEU HD2% 1.0 1.8 5.85 1082 806 A 85 LEU HD1% A 86 LEU H 1.0 1.8 5.00 1083 807 A 85 LEU HD2% A 115 TYR HD% 1.0 1.8 5.01 1084 808 A 85 LEU HD2% A 131 PRO HGy 1.0 1.8 4.87 1085 808 A 85 LEU HD2% A 131 PRO HGx 1.0 1.8 4.87 1086 809 A 85 LEU HG A 115 TYR HD% 1.0 1.8 6.18 1087 810 A 85 LEU HG A 87 GLY H 1.0 1.8 6.05 1088 811 A 85 LEU HD1% A 85 LEU H 1.0 1.8 4.54 1089 812 A 85 LEU HD2% A 85 LEU H 1.0 1.8 4.54 1090 813 A 85 LEU H A 85 LEU HG 1.0 1.8 4.16 1091 814 A 85 LEU H A 86 LEU H 1.0 1.8 4.05 1092 815 A 85 LEU H A 87 GLY H 1.0 1.8 4.65 1093 816 A 86 LEU HD1% A 86 LEU HA 1.0 1.8 4.70 1094 817 A 86 LEU HA A 86 LEU HD2% 1.0 1.8 3.45 1095 818 A 86 LEU HD1% A 86 LEU HBy 1.0 1.8 3.44 1096 818 A 86 LEU HBx A 86 LEU HD1% 1.0 1.8 3.44 1097 819 A 86 LEU HD2% A 86 LEU HBy 1.0 1.8 3.55 1098 819 A 86 LEU HBx A 86 LEU HD2% 1.0 1.8 3.55 1099 820 A 87 GLY H A 86 LEU HBy 1.0 1.8 4.57 1100 820 A 86 LEU HBx A 87 GLY H 1.0 1.8 4.57 1101 821 A 88 ARG H A 86 LEU HBy 1.0 1.8 5.14 1102 821 A 86 LEU HBx A 88 ARG H 1.0 1.8 5.14 1103 822 A 86 LEU HD1% A 115 TYR HBx 1.0 1.8 5.59 1104 822 A 86 LEU HD1% A 115 TYR HBy 1.0 1.8 5.59 1105 823 A 86 LEU HD2% A 115 TYR HBx 1.0 1.8 4.53 1106 823 A 115 TYR HBy A 86 LEU HD2% 1.0 1.8 4.53 1107 824 A 86 LEU HD2% A 121 TYR HBx 1.0 1.8 4.22 1108 824 A 86 LEU HD2% A 121 TYR HBy 1.0 1.8 4.22 1109 825 A 86 LEU HD2% A 122 THR H 1.0 1.8 6.20 1110 826 A 86 LEU HG A 115 TYR HBx 1.0 1.8 5.20 1111 826 A 86 LEU HG A 115 TYR HBy 1.0 1.8 5.20 1112 827 A 86 LEU HG A 87 GLY H 1.0 1.8 5.80 1113 828 A 86 LEU HD1% A 86 LEU H 1.0 1.8 4.43 1114 829 A 86 LEU H A 86 LEU HD2% 1.0 1.8 4.44 1115 830 A 86 LEU HG A 86 LEU H 1.0 1.8 4.26 1116 831 A 86 LEU H A 87 GLY H 1.0 1.8 3.77 1117 832 A 86 LEU H A 88 ARG H 1.0 1.8 4.86 1118 833 A 134 ARG H A 87 GLY HAy 1.0 1.8 4.74 1119 833 A 87 GLY HAx A 134 ARG H 1.0 1.8 4.74 1120 834 A 87 GLY H A 131 PRO HBx 1.0 1.8 5.59 1121 834 A 131 PRO HBy A 87 GLY H 1.0 1.8 5.59 1122 835 A 87 GLY H A 88 ARG H 1.0 1.8 3.78 1123 836 A 88 ARG HA A 89 ALA H 1.0 1.8 3.81 1124 837 A 89 ALA H A 88 ARG HBy 1.0 1.8 3.89 1125 837 A 89 ALA H A 88 ARG HBx 1.0 1.8 3.89 1126 838 A 89 ALA HA A 90 PRO HDx 1.0 1.8 3.90 1127 838 A 90 PRO HDy A 89 ALA HA 1.0 1.8 3.90 1128 839 A 89 ALA HB% A 90 PRO HA 1.0 1.8 5.27 1129 840 A 89 ALA HB% A 90 PRO HDx 1.0 1.8 3.33 1130 840 A 90 PRO HDy A 89 ALA HB% 1.0 1.8 3.33 1131 841 A 89 ALA HB% A 90 PRO HGy 1.0 1.8 4.03 1132 841 A 90 PRO HGx A 89 ALA HB% 1.0 1.8 4.03 1133 842 A 89 ALA HB% A 89 ALA H 1.0 1.8 3.53 1134 843 A 89 ALA H A 90 PRO HDx 1.0 1.8 5.20 1135 843 A 90 PRO HDy A 89 ALA H 1.0 1.8 5.20 1136 844 A 90 PRO HA A 91 TYR HA 1.0 1.8 5.03 1137 845 A 90 PRO HA A 92 ASP H 1.0 1.8 5.26 1138 846 A 91 TYR HA A 90 PRO HBx 1.0 1.8 5.08 1139 846 A 90 PRO HBy A 91 TYR HA 1.0 1.8 5.08 1140 847 A 92 ASP H A 90 PRO HBx 1.0 1.8 4.36 1141 847 A 90 PRO HBy A 92 ASP H 1.0 1.8 4.36 1142 848 A 91 TYR HA A 91 TYR HD% 1.0 1.8 3.58 1143 849 A 91 TYR HA A 91 TYR HE% 1.0 1.8 5.04 1144 850 A 92 ASP H A 91 TYR HBx 1.0 1.8 4.21 1145 851 A 92 ASP H A 91 TYR HBy 1.0 1.8 4.21 1146 852 A 92 ASP H A 91 TYR HD% 1.0 1.8 4.85 1147 853 A 91 TYR HD% A 91 TYR H 1.0 1.8 5.31 1148 854 A 92 ASP H A 91 TYR H 1.0 1.8 3.73 1149 855 A 93 GLU H A 92 ASP HBy 1.0 1.8 4.31 1150 855 A 92 ASP HBx A 93 GLU H 1.0 1.8 4.31 1151 856 A 94 SER H A 92 ASP HBy 1.0 1.8 4.31 1152 856 A 92 ASP HBx A 94 SER H 1.0 1.8 4.31 1153 857 A 95 GLU H A 92 ASP HBy 1.0 1.8 5.87 1154 857 A 92 ASP HBx A 95 GLU H 1.0 1.8 5.87 1155 858 A 92 ASP H A 95 GLU HBy 1.0 1.8 4.69 1156 858 A 92 ASP H A 95 GLU HBx 1.0 1.8 4.69 1157 859 A 92 ASP H A 95 GLU HGy 1.0 1.8 4.43 1158 859 A 92 ASP H A 95 GLU HGx 1.0 1.8 4.43 1159 860 A 92 ASP H A 95 GLU H 1.0 1.8 4.50 1160 861 A 93 GLU HA A 93 GLU HGx 1.0 1.8 3.60 1161 861 A 93 GLU HA A 93 GLU HGy 1.0 1.8 3.60 1162 862 A 95 GLU H A 93 GLU HA 1.0 1.8 4.91 1163 863 A 93 GLU HA A 96 VAL HB 1.0 1.8 4.55 1164 864 A 96 VAL HG1% A 93 GLU HA 1.0 1.8 5.79 1165 865 A 93 GLU HA A 96 VAL HG2% 1.0 1.8 5.14 1166 866 A 93 GLU HA A 96 VAL H 1.0 1.8 4.31 1167 867 A 94 SER H A 93 GLU HBx 1.0 1.8 3.81 1168 867 A 94 SER H A 93 GLU HBy 1.0 1.8 3.81 1169 868 A 97 ILE HD1% A 93 GLU HBx 1.0 1.8 4.70 1170 868 A 93 GLU HBy A 97 ILE HD1% 1.0 1.8 4.70 1171 869 A 94 SER H A 93 GLU HGx 1.0 1.8 4.44 1172 869 A 94 SER H A 93 GLU HGy 1.0 1.8 4.44 1173 870 A 97 ILE HD1% A 93 GLU HGx 1.0 1.8 3.44 1174 870 A 93 GLU HGy A 97 ILE HD1% 1.0 1.8 3.44 1175 871 A 93 GLU HGy A 97 ILE HG1x 1.0 1.8 5.00 1176 871 A 93 GLU HGx A 97 ILE HG1x 1.0 1.8 5.00 1177 871 A 97 ILE HG1y A 93 GLU HGx 1.0 1.8 5.00 1178 871 A 93 GLU HGy A 97 ILE HG1y 1.0 1.8 5.00 1179 872 A 97 ILE HG2% A 93 GLU HGx 1.0 1.8 5.59 1180 872 A 93 GLU HGy A 97 ILE HG2% 1.0 1.8 5.59 1181 873 A 97 ILE H A 93 GLU HGx 1.0 1.8 4.91 1182 873 A 93 GLU HGy A 97 ILE H 1.0 1.8 4.91 1183 874 A 93 GLU H A 93 GLU HGx 1.0 1.8 5.00 1184 874 A 93 GLU H A 93 GLU HGy 1.0 1.8 5.00 1185 875 A 93 GLU H A 94 SER H 1.0 1.8 4.95 1186 876 A 94 SER HA A 97 ILE HB 1.0 1.8 4.36 1187 877 A 97 ILE HD1% A 94 SER HA 1.0 1.8 4.61 1188 878 A 94 SER HA A 97 ILE HG1x 1.0 1.8 5.30 1189 879 A 97 ILE HG1y A 94 SER HA 1.0 1.8 5.30 1190 880 A 97 ILE HG2% A 94 SER HA 1.0 1.8 4.79 1191 881 A 95 GLU H A 94 SER HBx 1.0 1.8 4.23 1192 881 A 95 GLU H A 94 SER HBy 1.0 1.8 4.23 1193 882 A 94 SER H A 94 SER HBx 1.0 1.8 3.53 1194 882 A 94 SER H A 94 SER HBy 1.0 1.8 3.53 1195 883 A 94 SER H A 95 GLU H 1.0 1.8 3.64 1196 884 A 95 GLU HA A 95 GLU HGy 1.0 1.8 3.98 1197 884 A 95 GLU HGx A 95 GLU HA 1.0 1.8 3.98 1198 885 A 95 GLU HA A 98 PHE HBx 1.0 1.8 4.03 1199 885 A 95 GLU HA A 98 PHE HBy 1.0 1.8 4.03 1200 886 A 95 GLU HBx A 96 VAL H 1.0 1.8 4.70 1201 887 A 96 VAL H A 95 GLU HBy 1.0 1.8 4.70 1202 888 A 95 GLU H A 95 GLU HBy 1.0 1.8 3.60 1203 888 A 95 GLU H A 95 GLU HBx 1.0 1.8 3.60 1204 889 A 95 GLU H A 95 GLU HGy 1.0 1.8 3.59 1205 889 A 95 GLU H A 95 GLU HGx 1.0 1.8 3.59 1206 890 A 95 GLU H A 96 VAL H 1.0 1.8 3.63 1207 891 A 96 VAL HG1% A 96 VAL HA 1.0 1.8 3.42 1208 892 A 96 VAL HA A 96 VAL HG2% 1.0 1.8 4.28 1209 893 A 99 HIS H A 96 VAL HA 1.0 1.8 4.75 1210 894 A 100 LEU HD1% A 96 VAL HB 1.0 1.8 4.58 1211 895 A 96 VAL HB A 97 ILE H 1.0 1.8 3.95 1212 896 A 96 VAL HG1% A 100 LEU HA 1.0 1.8 6.05 1213 897 A 100 LEU HD1% A 96 VAL HG1% 1.0 1.8 3.39 1214 898 A 100 LEU HD2% A 96 VAL HG1% 1.0 1.8 4.71 1215 899 A 96 VAL HG1% A 100 LEU HG 1.0 1.8 3.67 1216 900 A 96 VAL HG1% A 101 ASP H 1.0 1.8 6.05 1217 901 A 96 VAL HG1% A 97 ILE HA 1.0 1.8 4.50 1218 902 A 96 VAL HG1% A 97 ILE H 1.0 1.8 4.02 1219 903 A 96 VAL HB A 96 VAL H 1.0 1.8 3.56 1220 904 A 96 VAL HG1% A 96 VAL H 1.0 1.8 4.20 1221 905 A 96 VAL HG2% A 96 VAL H 1.0 1.8 4.08 1222 906 A 96 VAL H A 97 ILE H 1.0 1.8 3.81 1223 907 A 97 ILE HA A 100 LEU HBx 1.0 1.8 4.36 1224 908 A 97 ILE HA A 100 LEU HBy 1.0 1.8 4.36 1225 909 A 100 LEU HD1% A 97 ILE HA 1.0 1.8 3.60 1226 910 A 100 LEU H A 97 ILE HA 1.0 1.8 5.04 1227 911 A 101 ASP H A 97 ILE HA 1.0 1.8 4.74 1228 912 A 97 ILE HD1% A 97 ILE HA 1.0 1.8 3.75 1229 913 A 97 ILE HA A 97 ILE HG1x 1.0 1.8 3.43 1230 913 A 97 ILE HG1y A 97 ILE HA 1.0 1.8 3.43 1231 914 A 97 ILE HG2% A 97 ILE HA 1.0 1.8 3.32 1232 915 A 97 ILE HB A 98 PHE H 1.0 1.8 3.90 1233 916 A 97 ILE HD1% A 98 PHE H 1.0 1.8 5.18 1234 917 A 98 PHE H A 97 ILE HG1x 1.0 1.8 4.81 1235 917 A 97 ILE HG1y A 98 PHE H 1.0 1.8 4.81 1236 918 A 97 ILE HG2% A 100 LEU HBx 1.0 1.8 5.41 1237 919 A 97 ILE HG2% A 100 LEU HBy 1.0 1.8 5.41 1238 920 A 97 ILE HG2% A 101 ASP HBy 1.0 1.8 4.37 1239 920 A 97 ILE HG2% A 101 ASP HBx 1.0 1.8 4.37 1240 921 A 97 ILE HG2% A 101 ASP H 1.0 1.8 4.84 1241 922 A 97 ILE HG2% A 97 ILE HG1x 1.0 1.8 2.93 1242 922 A 97 ILE HG1y A 97 ILE HG2% 1.0 1.8 2.93 1243 923 A 97 ILE HG2% A 98 PHE HA 1.0 1.8 4.40 1244 924 A 97 ILE HG2% A 98 PHE H 1.0 1.8 4.07 1245 925 A 100 LEU HD1% A 97 ILE H 1.0 1.8 5.17 1246 926 A 97 ILE H A 97 ILE HB 1.0 1.8 3.98 1247 927 A 97 ILE HD1% A 97 ILE H 1.0 1.8 4.25 1248 928 A 97 ILE H A 97 ILE HG1x 1.0 1.8 3.42 1249 928 A 97 ILE HG1y A 97 ILE H 1.0 1.8 3.42 1250 929 A 97 ILE HG2% A 97 ILE H 1.0 1.8 4.18 1251 930 A 97 ILE H A 98 PHE H 1.0 1.8 4.05 1252 931 A 98 PHE HA A 101 ASP HBy 1.0 1.8 4.42 1253 931 A 101 ASP HBx A 98 PHE HA 1.0 1.8 4.42 1254 932 A 98 PHE HA A 98 PHE HD% 1.0 1.8 4.49 1255 933 A 98 PHE HA A 98 PHE HE% 1.0 1.8 5.29 1256 934 A 99 HIS H A 98 PHE HBx 1.0 1.8 3.97 1257 934 A 99 HIS H A 98 PHE HBy 1.0 1.8 3.97 1258 935 A 98 PHE HD% A 102 LEU HD1% 1.0 1.8 5.72 1259 936 A 98 PHE HD% A 98 PHE HZ 1.0 1.8 4.53 1260 937 A 98 PHE HD% A 99 HIS HA 1.0 1.8 5.12 1261 938 A 99 HIS H A 98 PHE HD% 1.0 1.8 4.70 1262 939 A 98 PHE HE% A 102 LEU HD1% 1.0 1.8 4.91 1263 940 A 98 PHE HE% A 102 LEU HD2% 1.0 1.8 4.16 1264 941 A 98 PHE HE% A 114 SER HBx 1.0 1.8 5.93 1265 941 A 98 PHE HE% A 114 SER HBy 1.0 1.8 5.93 1266 942 A 98 PHE H A 98 PHE HBx 1.0 1.8 3.66 1267 943 A 98 PHE HBy A 98 PHE H 1.0 1.8 3.66 1268 944 A 98 PHE H A 98 PHE HD% 1.0 1.8 4.87 1269 945 A 99 HIS H A 98 PHE H 1.0 1.8 3.92 1270 946 A 102 LEU HD1% A 98 PHE HZ 1.0 1.8 5.57 1271 947 A 98 PHE HZ A 102 LEU HD2% 1.0 1.8 4.60 1272 948 A 99 HIS HA A 102 LEU HBy 1.0 1.8 4.30 1273 948 A 99 HIS HA A 102 LEU HBx 1.0 1.8 4.30 1274 949 A 99 HIS HA A 102 LEU HD2% 1.0 1.8 4.55 1275 950 A 99 HIS HA A 111 ASP HBy 1.0 1.8 5.40 1276 950 A 99 HIS HA A 111 ASP HBx 1.0 1.8 5.40 1277 951 A 100 LEU H A 99 HIS HBx 1.0 1.8 4.50 1278 951 A 100 LEU H A 99 HIS HBy 1.0 1.8 4.50 1279 952 A 99 HIS H A 100 LEU HBy 1.0 1.8 5.41 1280 952 A 99 HIS H A 100 LEU HBx 1.0 1.8 5.41 1281 953 A 100 LEU H A 99 HIS H 1.0 1.8 3.82 1282 954 A 99 HIS H A 101 ASP H 1.0 1.8 4.93 1283 955 A 99 HIS H A 99 HIS HBx 1.0 1.8 3.49 1284 955 A 99 HIS HBy A 99 HIS H 1.0 1.8 3.49 1285 956 A 99 HIS H A 99 HIS HD2 1.0 1.8 4.52 1286 957 A 100 LEU HD1% A 100 LEU HA 1.0 1.8 4.49 1287 958 A 100 LEU HD2% A 100 LEU HA 1.0 1.8 3.15 1288 959 A 100 LEU HA A 103 TYR HBx 1.0 1.8 4.44 1289 959 A 100 LEU HA A 103 TYR HBy 1.0 1.8 4.44 1290 960 A 100 LEU HA A 103 TYR H 1.0 1.8 4.42 1291 961 A 100 LEU HD1% A 100 LEU HBy 1.0 1.8 3.77 1292 961 A 100 LEU HD1% A 100 LEU HBx 1.0 1.8 3.77 1293 962 A 100 LEU HD2% A 100 LEU HBy 1.0 1.8 3.60 1294 962 A 100 LEU HD2% A 100 LEU HBx 1.0 1.8 3.60 1295 963 A 101 ASP H A 100 LEU HBx 1.0 1.8 4.03 1296 964 A 101 ASP H A 100 LEU HBy 1.0 1.8 4.03 1297 965 A 100 LEU HD1% A 101 ASP H 1.0 1.8 5.64 1298 966 A 100 LEU HD2% A 101 ASP H 1.0 1.8 6.04 1299 967 A 100 LEU H A 100 LEU HBx 1.0 1.8 4.15 1300 968 A 100 LEU H A 100 LEU HBy 1.0 1.8 4.15 1301 969 A 100 LEU HD1% A 100 LEU H 1.0 1.8 4.32 1302 970 A 100 LEU HD2% A 100 LEU H 1.0 1.8 4.97 1303 971 A 100 LEU HG A 100 LEU H 1.0 1.8 4.02 1304 972 A 100 LEU H A 101 ASP H 1.0 1.8 3.79 1305 973 A 101 ASP HA A 104 GLU HBy 1.0 1.8 4.16 1306 973 A 101 ASP HA A 104 GLU HBx 1.0 1.8 4.16 1307 974 A 101 ASP HA A 104 GLU H 1.0 1.8 4.52 1308 975 A 101 ASP HA A 105 ASN HD21 1.0 1.8 4.47 1309 975 A 101 ASP HA A 105 ASN HD22 1.0 1.8 4.47 1310 976 A 101 ASP HA A 105 ASN HD21 1.0 1.8 5.28 1311 977 A 101 ASP HA A 105 ASN HD22 1.0 1.8 5.28 1312 978 A 105 ASN HD22 A 101 ASP HBy 1.0 1.8 4.76 1313 978 A 101 ASP HBx A 105 ASN HD22 1.0 1.8 4.76 1314 978 A 105 ASN HD21 A 101 ASP HBy 1.0 1.8 4.76 1315 978 A 101 ASP HBx A 105 ASN HD21 1.0 1.8 4.76 1316 979 A 101 ASP HBx A 102 LEU H 1.0 1.8 4.05 1317 980 A 102 LEU H A 101 ASP HBy 1.0 1.8 4.05 1318 981 A 101 ASP H A 101 ASP HBy 1.0 1.8 3.03 1319 981 A 101 ASP H A 101 ASP HBx 1.0 1.8 3.03 1320 982 A 101 ASP H A 102 LEU H 1.0 1.8 3.85 1321 983 A 101 ASP H A 103 TYR H 1.0 1.8 5.86 1322 984 A 102 LEU HD1% A 102 LEU HA 1.0 1.8 3.22 1323 985 A 102 LEU HD2% A 102 LEU HA 1.0 1.8 4.82 1324 986 A 102 LEU HA A 105 ASN HBx 1.0 1.8 4.18 1325 986 A 102 LEU HA A 105 ASN HBy 1.0 1.8 4.18 1326 987 A 105 ASN HD21 A 102 LEU HA 1.0 1.8 5.79 1327 987 A 105 ASN HD22 A 102 LEU HA 1.0 1.8 5.79 1328 988 A 102 LEU HA A 105 ASN H 1.0 1.8 4.50 1329 989 A 102 LEU HA A 106 GLU H 1.0 1.8 4.69 1330 990 A 102 LEU HD1% A 102 LEU HBy 1.0 1.8 3.51 1331 990 A 102 LEU HD1% A 102 LEU HBx 1.0 1.8 3.51 1332 991 A 102 LEU HD2% A 102 LEU HBy 1.0 1.8 3.21 1333 991 A 102 LEU HD2% A 102 LEU HBx 1.0 1.8 3.21 1334 992 A 103 TYR H A 102 LEU HBy 1.0 1.8 3.94 1335 992 A 102 LEU HBx A 103 TYR H 1.0 1.8 3.94 1336 993 A 111 ASP HA A 102 LEU HBy 1.0 1.8 4.93 1337 993 A 102 LEU HBx A 111 ASP HA 1.0 1.8 4.93 1338 994 A 102 LEU HD1% A 106 GLU HBx 1.0 1.8 5.78 1339 995 A 102 LEU HD1% A 106 GLU HBy 1.0 1.8 5.78 1340 996 A 102 LEU HD1% A 106 GLU HGx 1.0 1.8 5.03 1341 997 A 102 LEU HD1% A 106 GLU HGy 1.0 1.8 5.03 1342 998 A 102 LEU HD1% A 106 GLU H 1.0 1.8 4.63 1343 999 A 102 LEU HD1% A 107 GLY H 1.0 1.8 5.50 1344 1000 A 102 LEU HD1% A 110 ALA HB% 1.0 1.8 3.44 1345 1001 A 102 LEU HD1% A 111 ASP HA 1.0 1.8 4.16 1346 1002 A 102 LEU HD1% A 111 ASP H 1.0 1.8 5.00 1347 1003 A 102 LEU HD1% A 114 SER HBx 1.0 1.8 5.46 1348 1003 A 102 LEU HD1% A 114 SER HBy 1.0 1.8 5.46 1349 1004 A 102 LEU HD2% A 103 TYR H 1.0 1.8 5.39 1350 1005 A 102 LEU HD2% A 106 GLU HGy 1.0 1.8 5.82 1351 1005 A 102 LEU HD2% A 106 GLU HGx 1.0 1.8 5.82 1352 1006 A 102 LEU HD2% A 110 ALA HB% 1.0 1.8 4.10 1353 1007 A 102 LEU HD2% A 111 ASP HA 1.0 1.8 3.34 1354 1008 A 102 LEU HD2% A 111 ASP HBy 1.0 1.8 4.30 1355 1008 A 102 LEU HD2% A 111 ASP HBx 1.0 1.8 4.30 1356 1009 A 102 LEU HD2% A 111 ASP H 1.0 1.8 4.85 1357 1010 A 113 ASP H A 102 LEU HD2% 1.0 1.8 6.00 1358 1011 A 102 LEU HD2% A 114 SER HA 1.0 1.8 4.37 1359 1012 A 102 LEU HD2% A 114 SER HBx 1.0 1.8 3.66 1360 1012 A 102 LEU HD2% A 114 SER HBy 1.0 1.8 3.66 1361 1013 A 102 LEU HD2% A 114 SER HG 1.0 1.8 3.94 1362 1014 A 102 LEU HD2% A 114 SER H 1.0 1.8 3.88 1363 1015 A 102 LEU HG A 103 TYR HA 1.0 1.8 6.00 1364 1016 A 111 ASP HA A 102 LEU HG 1.0 1.8 4.72 1365 1017 A 111 ASP H A 102 LEU HG 1.0 1.8 4.10 1366 1018 A 102 LEU H A 102 LEU HBy 1.0 1.8 3.26 1367 1018 A 102 LEU HBx A 102 LEU H 1.0 1.8 3.26 1368 1019 A 102 LEU HD1% A 102 LEU H 1.0 1.8 4.49 1369 1020 A 102 LEU HD2% A 102 LEU H 1.0 1.8 5.63 1370 1021 A 102 LEU H A 102 LEU HG 1.0 1.8 5.12 1371 1022 A 103 TYR H A 102 LEU H 1.0 1.8 4.18 1372 1023 A 103 TYR HD% A 103 TYR HA 1.0 1.8 3.90 1373 1024 A 107 GLY H A 103 TYR HA 1.0 1.8 4.37 1374 1025 A 110 ALA HB% A 103 TYR HA 1.0 1.8 6.05 1375 1026 A 103 TYR HA A 111 ASP HBy 1.0 1.8 4.43 1376 1026 A 111 ASP HBx A 103 TYR HA 1.0 1.8 4.43 1377 1027 A 104 GLU H A 103 TYR HBx 1.0 1.8 3.90 1378 1027 A 103 TYR HBy A 104 GLU H 1.0 1.8 3.90 1379 1028 A 103 TYR HBx A 111 ASP HBy 1.0 1.8 4.94 1380 1028 A 103 TYR HBy A 111 ASP HBy 1.0 1.8 4.94 1381 1028 A 111 ASP HBx A 103 TYR HBx 1.0 1.8 4.94 1382 1028 A 111 ASP HBx A 103 TYR HBy 1.0 1.8 4.94 1383 1029 A 103 TYR HD% A 104 GLU HA 1.0 1.8 4.48 1384 1030 A 103 TYR HD% A 104 GLU HBy 1.0 1.8 5.05 1385 1030 A 103 TYR HD% A 104 GLU HBx 1.0 1.8 5.05 1386 1031 A 103 TYR HD% A 104 GLU HGy 1.0 1.8 3.98 1387 1031 A 103 TYR HD% A 104 GLU HGx 1.0 1.8 3.98 1388 1032 A 103 TYR HD% A 104 GLU H 1.0 1.8 4.81 1389 1033 A 103 TYR HD% A 108 PHE HA 1.0 1.8 4.14 1390 1034 A 103 TYR HD% A 111 ASP HBy 1.0 1.8 5.21 1391 1034 A 103 TYR HD% A 111 ASP HBx 1.0 1.8 5.21 1392 1035 A 103 TYR HE% A 108 PHE HA 1.0 1.8 4.73 1393 1036 A 103 TYR HE% A 108 PHE HBx 1.0 1.8 3.94 1394 1036 A 103 TYR HE% A 108 PHE HBy 1.0 1.8 3.94 1395 1037 A 108 PHE HD% A 103 TYR HE% 1.0 1.8 4.66 1396 1038 A 103 TYR HE% A 108 PHE H 1.0 1.8 4.79 1397 1039 A 103 TYR H A 103 TYR HBx 1.0 1.8 3.75 1398 1039 A 103 TYR HBy A 103 TYR H 1.0 1.8 3.75 1399 1040 A 103 TYR HD% A 103 TYR H 1.0 1.8 5.02 1400 1041 A 103 TYR H A 104 GLU H 1.0 1.8 4.32 1401 1042 A 104 GLU HA A 104 GLU HGy 1.0 1.8 3.45 1402 1042 A 104 GLU HA A 104 GLU HGx 1.0 1.8 3.45 1403 1043 A 104 GLU HBx A 105 ASN H 1.0 1.8 4.42 1404 1044 A 105 ASN H A 104 GLU HBy 1.0 1.8 4.42 1405 1045 A 105 ASN H A 104 GLU HGy 1.0 1.8 5.05 1406 1045 A 105 ASN H A 104 GLU HGx 1.0 1.8 5.05 1407 1046 A 104 GLU HBx A 104 GLU H 1.0 1.8 4.14 1408 1047 A 104 GLU H A 104 GLU HBy 1.0 1.8 4.14 1409 1048 A 104 GLU H A 104 GLU HGy 1.0 1.8 3.59 1410 1048 A 104 GLU H A 104 GLU HGx 1.0 1.8 3.59 1411 1049 A 104 GLU H A 105 ASN H 1.0 1.8 3.61 1412 1050 A 105 ASN HD21 A 105 ASN HBx 1.0 1.8 3.43 1413 1050 A 105 ASN HD21 A 105 ASN HBy 1.0 1.8 3.43 1414 1050 A 105 ASN HD22 A 105 ASN HBy 1.0 1.8 3.43 1415 1050 A 105 ASN HD22 A 105 ASN HBx 1.0 1.8 3.43 1416 1051 A 105 ASN HBx A 106 GLU HGy 1.0 1.8 4.06 1417 1051 A 105 ASN HBy A 106 GLU HGy 1.0 1.8 4.06 1418 1051 A 106 GLU HGx A 105 ASN HBx 1.0 1.8 4.06 1419 1051 A 105 ASN HBy A 106 GLU HGx 1.0 1.8 4.06 1420 1052 A 107 GLY H A 105 ASN HBx 1.0 1.8 5.18 1421 1052 A 105 ASN HBy A 107 GLY H 1.0 1.8 5.18 1422 1053 A 106 GLU HGx A 105 ASN HBx 1.0 1.8 4.52 1423 1053 A 105 ASN HBx A 106 GLU HGy 1.0 1.8 4.52 1424 1054 A 106 GLU H A 105 ASN HBx 1.0 1.8 4.32 1425 1055 A 105 ASN HBy A 106 GLU HGx 1.0 1.8 4.52 1426 1055 A 105 ASN HBy A 106 GLU HGy 1.0 1.8 4.52 1427 1056 A 105 ASN HBy A 106 GLU H 1.0 1.8 4.32 1428 1057 A 105 ASN H A 105 ASN HBx 1.0 1.8 3.20 1429 1057 A 105 ASN HBy A 105 ASN H 1.0 1.8 3.20 1430 1058 A 105 ASN HD21 A 105 ASN H 1.0 1.8 4.10 1431 1058 A 105 ASN HD22 A 105 ASN H 1.0 1.8 4.10 1432 1059 A 105 ASN H A 106 GLU H 1.0 1.8 3.51 1433 1060 A 105 ASN H A 107 GLY H 1.0 1.8 4.81 1434 1061 A 106 GLU HGx A 106 GLU HA 1.0 1.8 4.20 1435 1062 A 106 GLU HA A 106 GLU HGy 1.0 1.8 4.20 1436 1063 A 110 ALA HB% A 106 GLU HA 1.0 1.8 5.26 1437 1064 A 106 GLU HBx A 107 GLY H 1.0 1.8 4.79 1438 1065 A 106 GLU HBx A 110 ALA HB% 1.0 1.8 4.25 1439 1066 A 106 GLU HBy A 107 GLY H 1.0 1.8 4.79 1440 1067 A 106 GLU HBy A 110 ALA HB% 1.0 1.8 4.25 1441 1068 A 107 GLY H A 106 GLU HGy 1.0 1.8 4.76 1442 1068 A 107 GLY H A 106 GLU HGx 1.0 1.8 4.76 1443 1069 A 110 ALA HB% A 106 GLU HGx 1.0 1.8 4.68 1444 1070 A 110 ALA HB% A 106 GLU HGy 1.0 1.8 4.68 1445 1071 A 106 GLU H A 106 GLU HGx 1.0 1.8 4.42 1446 1072 A 106 GLU H A 106 GLU HGy 1.0 1.8 4.42 1447 1073 A 106 GLU H A 107 GLY HAy 1.0 1.8 4.80 1448 1073 A 106 GLU H A 107 GLY HAx 1.0 1.8 4.80 1449 1074 A 106 GLU H A 107 GLY H 1.0 1.8 3.44 1450 1075 A 106 GLU H A 110 ALA HB% 1.0 1.8 4.50 1451 1076 A 107 GLY H A 108 PHE H 1.0 1.8 5.02 1452 1077 A 107 GLY H A 110 ALA HB% 1.0 1.8 4.61 1453 1078 A 108 PHE HD% A 108 PHE HA 1.0 1.8 4.46 1454 1079 A 109 ASP H A 108 PHE HBx 1.0 1.8 4.42 1455 1080 A 108 PHE HBy A 109 ASP H 1.0 1.8 4.42 1456 1081 A 108 PHE HD% A 109 ASP HA 1.0 1.8 4.66 1457 1082 A 108 PHE HD% A 109 ASP H 1.0 1.8 4.11 1458 1083 A 112 ILE HD1% A 108 PHE HD% 1.0 1.8 4.62 1459 1084 A 112 ILE HG2% A 108 PHE HD% 1.0 1.8 6.05 1460 1085 A 108 PHE H A 108 PHE HBx 1.0 1.8 4.07 1461 1086 A 108 PHE HBy A 108 PHE H 1.0 1.8 4.07 1462 1087 A 108 PHE HD% A 108 PHE H 1.0 1.8 4.72 1463 1088 A 108 PHE H A 109 ASP H 1.0 1.8 3.87 1464 1089 A 109 ASP HA A 112 ILE HB 1.0 1.8 4.48 1465 1090 A 112 ILE HD1% A 109 ASP HA 1.0 1.8 5.09 1466 1091 A 109 ASP HA A 112 ILE HG1y 1.0 1.8 4.73 1467 1091 A 109 ASP HA A 112 ILE HG1x 1.0 1.8 4.73 1468 1092 A 112 ILE HG2% A 109 ASP HA 1.0 1.8 5.05 1469 1093 A 109 ASP HA A 112 ILE H 1.0 1.8 4.79 1470 1094 A 110 ALA HB% A 109 ASP HBy 1.0 1.8 5.54 1471 1094 A 110 ALA HB% A 109 ASP HBx 1.0 1.8 5.54 1472 1095 A 110 ALA H A 109 ASP HBy 1.0 1.8 3.64 1473 1095 A 109 ASP HBx A 110 ALA H 1.0 1.8 3.64 1474 1096 A 112 ILE HB A 109 ASP HBy 1.0 1.8 5.87 1475 1096 A 112 ILE HB A 109 ASP HBx 1.0 1.8 5.87 1476 1097 A 109 ASP H A 109 ASP HBx 1.0 1.8 4.07 1477 1098 A 109 ASP H A 109 ASP HBy 1.0 1.8 4.07 1478 1099 A 110 ALA HB% A 109 ASP H 1.0 1.8 4.94 1479 1100 A 109 ASP H A 110 ALA H 1.0 1.8 3.63 1480 1101 A 110 ALA HA A 113 ASP HBy 1.0 1.8 4.09 1481 1101 A 110 ALA HA A 113 ASP HBx 1.0 1.8 4.09 1482 1102 A 111 ASP HA A 110 ALA HB% 1.0 1.8 4.18 1483 1103 A 110 ALA HB% A 111 ASP HBy 1.0 1.8 5.87 1484 1103 A 111 ASP HBx A 110 ALA HB% 1.0 1.8 5.87 1485 1104 A 110 ALA HB% A 111 ASP H 1.0 1.8 3.79 1486 1105 A 110 ALA HB% A 113 ASP HBy 1.0 1.8 5.87 1487 1105 A 110 ALA HB% A 113 ASP HBx 1.0 1.8 5.87 1488 1106 A 110 ALA HB% A 110 ALA H 1.0 1.8 3.13 1489 1107 A 111 ASP HA A 114 SER HG 1.0 1.8 4.63 1490 1108 A 111 ASP HA A 114 SER H 1.0 1.8 4.59 1491 1109 A 112 ILE H A 111 ASP HBy 1.0 1.8 4.46 1492 1109 A 111 ASP HBx A 112 ILE H 1.0 1.8 4.46 1493 1110 A 111 ASP HBx A 111 ASP H 1.0 1.8 3.94 1494 1111 A 111 ASP H A 111 ASP HBy 1.0 1.8 3.94 1495 1112 A 111 ASP H A 112 ILE H 1.0 1.8 4.08 1496 1113 A 112 ILE HD1% A 112 ILE HA 1.0 1.8 4.37 1497 1114 A 112 ILE HA A 114 SER HG 1.0 1.8 5.00 1498 1115 A 112 ILE HA A 114 SER H 1.0 1.8 4.61 1499 1116 A 112 ILE HA A 115 TYR H 1.0 1.8 4.68 1500 1117 A 112 ILE HB A 113 ASP H 1.0 1.8 3.97 1501 1118 A 112 ILE HG2% A 112 ILE HD1% 1.0 1.8 3.41 1502 1119 A 112 ILE HG2% A 113 ASP HA 1.0 1.8 5.39 1503 1120 A 112 ILE HG2% A 113 ASP H 1.0 1.8 4.14 1504 1121 A 112 ILE HG2% A 115 TYR HD% 1.0 1.8 5.73 1505 1122 A 112 ILE HG2% A 115 TYR H 1.0 1.8 5.35 1506 1123 A 112 ILE HB A 112 ILE H 1.0 1.8 4.15 1507 1124 A 112 ILE HD1% A 112 ILE H 1.0 1.8 4.47 1508 1125 A 112 ILE H A 112 ILE HG1y 1.0 1.8 4.05 1509 1125 A 112 ILE HG1x A 112 ILE H 1.0 1.8 4.05 1510 1126 A 112 ILE HG2% A 112 ILE H 1.0 1.8 4.61 1511 1127 A 113 ASP H A 112 ILE H 1.0 1.8 4.08 1512 1128 A 113 ASP HA A 116 ILE HB 1.0 1.8 4.91 1513 1129 A 116 ILE HD1% A 113 ASP HA 1.0 1.8 6.05 1514 1130 A 116 ILE HG2% A 113 ASP HA 1.0 1.8 5.13 1515 1131 A 114 SER H A 113 ASP HBy 1.0 1.8 3.97 1516 1131 A 114 SER H A 113 ASP HBx 1.0 1.8 3.97 1517 1132 A 113 ASP H A 113 ASP HBy 1.0 1.8 3.37 1518 1132 A 113 ASP H A 113 ASP HBx 1.0 1.8 3.37 1519 1133 A 113 ASP H A 114 SER H 1.0 1.8 3.95 1520 1134 A 114 SER HG A 115 TYR H 1.0 1.8 4.20 1521 1135 A 114 SER HG A 114 SER H 1.0 1.8 3.84 1522 1136 A 114 SER H A 115 TYR H 1.0 1.8 4.10 1523 1137 A 115 TYR HD% A 115 TYR HA 1.0 1.8 4.66 1524 1138 A 115 TYR HA A 118 SER H 1.0 1.8 4.82 1525 1139 A 116 ILE H A 115 TYR HBx 1.0 1.8 4.36 1526 1139 A 115 TYR HBy A 116 ILE H 1.0 1.8 4.36 1527 1140 A 115 TYR H A 115 TYR HBx 1.0 1.8 3.84 1528 1140 A 115 TYR HBy A 115 TYR H 1.0 1.8 3.84 1529 1141 A 115 TYR HD% A 115 TYR H 1.0 1.8 4.20 1530 1142 A 116 ILE HD1% A 115 TYR H 1.0 1.8 5.86 1531 1143 A 115 TYR H A 116 ILE H 1.0 1.8 4.13 1532 1144 A 116 ILE HD1% A 116 ILE HA 1.0 1.8 4.15 1533 1145 A 116 ILE HA A 116 ILE HG1y 1.0 1.8 3.83 1534 1145 A 116 ILE HG1x A 116 ILE HA 1.0 1.8 3.83 1535 1146 A 116 ILE HG2% A 116 ILE HA 1.0 1.8 3.69 1536 1147 A 118 SER H A 116 ILE HA 1.0 1.8 4.66 1537 1148 A 116 ILE HB A 117 ASP H 1.0 1.8 4.19 1538 1149 A 116 ILE HG2% A 116 ILE HD1% 1.0 1.8 3.21 1539 1150 A 116 ILE HG2% A 117 ASP H 1.0 1.8 4.66 1540 1151 A 116 ILE HB A 116 ILE H 1.0 1.8 4.10 1541 1152 A 116 ILE HD1% A 116 ILE H 1.0 1.8 4.44 1542 1153 A 116 ILE H A 116 ILE HG1y 1.0 1.8 4.08 1543 1153 A 116 ILE HG1x A 116 ILE H 1.0 1.8 4.08 1544 1154 A 116 ILE HG2% A 116 ILE H 1.0 1.8 4.39 1545 1155 A 116 ILE H A 117 ASP H 1.0 1.8 3.89 1546 1156 A 118 SER H A 117 ASP HBy 1.0 1.8 4.39 1547 1156 A 118 SER H A 117 ASP HBx 1.0 1.8 4.39 1548 1157 A 117 ASP H A 117 ASP HBy 1.0 1.8 3.44 1549 1157 A 117 ASP H A 117 ASP HBx 1.0 1.8 3.44 1550 1158 A 118 SER H A 117 ASP H 1.0 1.8 3.72 1551 1159 A 118 SER HA A 119 PRO HDx 1.0 1.8 3.61 1552 1159 A 118 SER HA A 119 PRO HDy 1.0 1.8 3.61 1553 1160 A 118 SER HA A 119 PRO HGx 1.0 1.8 5.32 1554 1161 A 118 SER HA A 119 PRO HGy 1.0 1.8 5.32 1555 1162 A 118 SER HA A 121 TYR H 1.0 1.8 5.09 1556 1163 A 118 SER HBy A 119 PRO HDx 1.0 1.8 4.25 1557 1163 A 118 SER HBx A 119 PRO HDx 1.0 1.8 4.25 1558 1163 A 119 PRO HDy A 118 SER HBy 1.0 1.8 4.25 1559 1163 A 119 PRO HDy A 118 SER HBx 1.0 1.8 4.25 1560 1164 A 120 GLU H A 118 SER HBy 1.0 1.8 5.22 1561 1164 A 118 SER HBx A 120 GLU H 1.0 1.8 5.22 1562 1165 A 121 TYR H A 118 SER HBy 1.0 1.8 4.68 1563 1165 A 121 TYR H A 118 SER HBx 1.0 1.8 4.68 1564 1166 A 118 SER H A 118 SER HBy 1.0 1.8 3.82 1565 1166 A 118 SER H A 118 SER HBx 1.0 1.8 3.82 1566 1167 A 118 SER H A 119 PRO HDx 1.0 1.8 4.63 1567 1167 A 118 SER H A 119 PRO HDy 1.0 1.8 4.63 1568 1168 A 119 PRO HA A 122 THR HB 1.0 1.8 4.62 1569 1169 A 119 PRO HA A 122 THR HG2% 1.0 1.8 4.65 1570 1170 A 122 THR H A 119 PRO HA 1.0 1.8 4.94 1571 1171 A 119 PRO HA A 123 ASN H 1.0 1.8 5.09 1572 1172 A 120 GLU HA A 119 PRO HBx 1.0 1.8 5.47 1573 1172 A 119 PRO HBy A 120 GLU HA 1.0 1.8 5.47 1574 1173 A 120 GLU H A 119 PRO HDx 1.0 1.8 4.58 1575 1173 A 119 PRO HDy A 120 GLU H 1.0 1.8 4.58 1576 1174 A 120 GLU HA A 119 PRO HGx 1.0 1.8 4.92 1577 1174 A 120 GLU HA A 119 PRO HGy 1.0 1.8 4.92 1578 1175 A 119 PRO HGy A 120 GLU HBy 1.0 1.8 4.15 1579 1175 A 119 PRO HGx A 120 GLU HBy 1.0 1.8 4.15 1580 1175 A 120 GLU HBx A 119 PRO HGx 1.0 1.8 4.15 1581 1175 A 119 PRO HGy A 120 GLU HBx 1.0 1.8 4.15 1582 1176 A 120 GLU HA A 120 GLU HGy 1.0 1.8 3.78 1583 1176 A 120 GLU HA A 120 GLU HGx 1.0 1.8 3.78 1584 1177 A 120 GLU HA A 123 ASN HBx 1.0 1.8 4.46 1585 1177 A 120 GLU HA A 123 ASN HBy 1.0 1.8 4.46 1586 1178 A 123 ASN H A 120 GLU HA 1.0 1.8 4.85 1587 1179 A 121 TYR H A 120 GLU HBx 1.0 1.8 4.71 1588 1180 A 121 TYR H A 120 GLU HBy 1.0 1.8 4.71 1589 1181 A 121 TYR HA A 120 GLU HGy 1.0 1.8 4.83 1590 1181 A 120 GLU HGx A 121 TYR HA 1.0 1.8 4.83 1591 1182 A 120 GLU H A 120 GLU HBx 1.0 1.8 4.25 1592 1183 A 120 GLU H A 120 GLU HBy 1.0 1.8 4.25 1593 1184 A 120 GLU H A 120 GLU HGy 1.0 1.8 4.62 1594 1184 A 120 GLU H A 120 GLU HGx 1.0 1.8 4.62 1595 1185 A 121 TYR H A 120 GLU H 1.0 1.8 4.50 1596 1186 A 121 TYR HA A 124 SER H 1.0 1.8 4.73 1597 1187 A 122 THR H A 121 TYR HBx 1.0 1.8 4.39 1598 1187 A 121 TYR HBy A 122 THR H 1.0 1.8 4.39 1599 1188 A 121 TYR H A 121 TYR HBx 1.0 1.8 4.26 1600 1189 A 121 TYR HBy A 121 TYR H 1.0 1.8 4.26 1601 1190 A 122 THR H A 121 TYR H 1.0 1.8 4.16 1602 1191 A 122 THR HG2% A 122 THR HA 1.0 1.8 3.71 1603 1192 A 124 SER H A 122 THR HA 1.0 1.8 4.98 1604 1193 A 122 THR HA A 126 GLY H 1.0 1.8 4.53 1605 1194 A 122 THR HB A 123 ASN H 1.0 1.8 3.85 1606 1195 A 122 THR HG2% A 123 ASN HA 1.0 1.8 4.40 1607 1196 A 122 THR HG2% A 123 ASN HBx 1.0 1.8 4.84 1608 1196 A 122 THR HG2% A 123 ASN HBy 1.0 1.8 4.84 1609 1197 A 122 THR HG2% A 123 ASN H 1.0 1.8 4.35 1610 1198 A 122 THR HG2% A 126 GLY HAy 1.0 1.8 4.79 1611 1198 A 122 THR HG2% A 126 GLY HAx 1.0 1.8 4.79 1612 1199 A 122 THR HG2% A 126 GLY H 1.0 1.8 5.07 1613 1200 A 122 THR H A 122 THR HB 1.0 1.8 3.93 1614 1201 A 122 THR H A 122 THR HG2% 1.0 1.8 4.23 1615 1202 A 122 THR H A 123 ASN HBx 1.0 1.8 5.18 1616 1202 A 122 THR H A 123 ASN HBy 1.0 1.8 5.18 1617 1203 A 122 THR H A 123 ASN H 1.0 1.8 4.10 1618 1204 A 126 GLY H A 123 ASN HA 1.0 1.8 5.65 1619 1205 A 124 SER H A 123 ASN HBx 1.0 1.8 4.02 1620 1205 A 123 ASN HBy A 124 SER H 1.0 1.8 4.02 1621 1206 A 125 PHE H A 123 ASN HBx 1.0 1.8 5.48 1622 1206 A 123 ASN HBy A 125 PHE H 1.0 1.8 5.48 1623 1207 A 123 ASN H A 123 ASN HBx 1.0 1.8 3.55 1624 1207 A 123 ASN H A 123 ASN HBy 1.0 1.8 3.55 1625 1208 A 123 ASN H A 124 SER H 1.0 1.8 3.90 1626 1209 A 125 PHE H A 124 SER HBy 1.0 1.8 4.06 1627 1209 A 125 PHE H A 124 SER HBx 1.0 1.8 4.06 1628 1210 A 124 SER H A 124 SER HBy 1.0 1.8 3.73 1629 1210 A 124 SER H A 124 SER HBx 1.0 1.8 3.73 1630 1211 A 124 SER H A 125 PHE H 1.0 1.8 3.79 1631 1212 A 126 GLY H A 125 PHE HBy 1.0 1.8 4.44 1632 1212 A 126 GLY H A 125 PHE HBx 1.0 1.8 4.44 1633 1213 A 125 PHE HE% A 131 PRO HA 1.0 1.8 6.00 1634 1214 A 125 PHE HE% A 132 TYR H 1.0 1.8 4.55 1635 1215 A 126 GLY H A 125 PHE H 1.0 1.8 3.37 1636 1216 A 129 VAL H A 126 GLY HAy 1.0 1.8 5.59 1637 1216 A 126 GLY HAx A 129 VAL H 1.0 1.8 5.59 1638 1217 A 126 GLY H A 127 ASP H 1.0 1.8 4.86 1639 1218 A 128 TRP HE1 A 127 ASP HBy 1.0 1.8 4.59 1640 1218 A 127 ASP HBx A 128 TRP HE1 1.0 1.8 4.59 1641 1219 A 128 TRP H A 127 ASP HBx 1.0 1.8 5.41 1642 1220 A 128 TRP H A 127 ASP HBy 1.0 1.8 5.41 1643 1221 A 127 ASP H A 127 ASP HBy 1.0 1.8 3.73 1644 1221 A 127 ASP H A 127 ASP HBx 1.0 1.8 3.73 1645 1222 A 128 TRP H A 127 ASP H 1.0 1.8 3.87 1646 1223 A 128 TRP HA A 128 TRP HE3 1.0 1.8 4.16 1647 1224 A 128 TRP HA A 128 TRP HZ3 1.0 1.8 6.05 1648 1225 A 128 TRP H A 128 TRP HBy 1.0 1.8 3.90 1649 1225 A 128 TRP HBx A 128 TRP H 1.0 1.8 3.90 1650 1226 A 129 VAL HG2% A 128 TRP H 1.0 1.8 6.00 1651 1227 A 128 TRP H A 129 VAL H 1.0 1.8 3.67 1652 1228 A 129 VAL HG1% A 129 VAL HA 1.0 1.8 3.92 1653 1229 A 129 VAL HG2% A 129 VAL HA 1.0 1.8 3.60 1654 1230 A 130 VAL H A 129 VAL HA 1.0 1.8 3.92 1655 1231 A 129 VAL HG1% A 130 VAL H 1.0 1.8 4.30 1656 1232 A 129 VAL HG1% A 132 TYR HD% 1.0 1.8 4.50 1657 1233 A 129 VAL HG1% A 132 TYR HE% 1.0 1.8 4.30 1658 1234 A 129 VAL HG2% A 130 VAL H 1.0 1.8 4.42 1659 1235 A 129 VAL H A 129 VAL HB 1.0 1.8 3.67 1660 1236 A 129 VAL HG1% A 129 VAL H 1.0 1.8 4.40 1661 1237 A 129 VAL HG2% A 129 VAL H 1.0 1.8 3.90 1662 1238 A 130 VAL HG1% A 130 VAL HA 1.0 1.8 3.74 1663 1239 A 130 VAL HG2% A 130 VAL HA 1.0 1.8 3.74 1664 1240 A 130 VAL HA A 131 PRO HA 1.0 1.8 5.35 1665 1241 A 130 VAL HA A 131 PRO HDy 1.0 1.8 3.52 1666 1241 A 131 PRO HDx A 130 VAL HA 1.0 1.8 3.52 1667 1242 A 130 VAL HA A 131 PRO HGy 1.0 1.8 5.39 1668 1242 A 130 VAL HA A 131 PRO HGx 1.0 1.8 5.39 1669 1243 A 130 VAL HG1% A 131 PRO HBx 1.0 1.8 5.79 1670 1243 A 130 VAL HG1% A 131 PRO HBy 1.0 1.8 5.79 1671 1244 A 130 VAL HG1% A 131 PRO HDy 1.0 1.8 3.53 1672 1244 A 130 VAL HG1% A 131 PRO HDx 1.0 1.8 3.53 1673 1245 A 130 VAL HG1% A 131 PRO HGy 1.0 1.8 5.35 1674 1245 A 130 VAL HG1% A 131 PRO HGx 1.0 1.8 5.35 1675 1246 A 130 VAL H A 130 VAL HB 1.0 1.8 4.09 1676 1247 A 130 VAL HG1% A 130 VAL H 1.0 1.8 4.84 1677 1248 A 130 VAL HG2% A 130 VAL H 1.0 1.8 3.63 1678 1249 A 130 VAL H A 131 PRO HDy 1.0 1.8 5.27 1679 1249 A 130 VAL H A 131 PRO HDx 1.0 1.8 5.27 1680 1250 A 131 PRO HA A 132 TYR H 1.0 1.8 3.54 1681 1251 A 132 TYR H A 131 PRO HBx 1.0 1.8 4.30 1682 1251 A 131 PRO HBy A 132 TYR H 1.0 1.8 4.30 1683 1252 A 132 TYR HD% A 132 TYR HA 1.0 1.8 4.94 1684 1253 A 132 TYR HA A 133 TYR H 1.0 1.8 3.69 1685 1254 A 133 TYR H A 132 TYR HBx 1.0 1.8 3.62 1686 1254 A 133 TYR H A 132 TYR HBy 1.0 1.8 3.62 1687 1255 A 132 TYR HD% A 134 ARG HA 1.0 1.8 5.17 1688 1256 A 132 TYR HE% A 134 ARG HA 1.0 1.8 4.66 1689 1257 A 132 TYR HE% A 134 ARG HGx 1.0 1.8 5.87 1690 1257 A 132 TYR HE% A 134 ARG HGy 1.0 1.8 5.87 1691 1258 A 132 TYR HD% A 132 TYR H 1.0 1.8 4.17 1692 1259 A 133 TYR HA A 133 TYR HD% 1.0 1.8 4.29 1693 1260 A 134 ARG H A 133 TYR HA 1.0 1.8 3.78 1694 1261 A 134 ARG HA A 133 TYR HBy 1.0 1.8 5.42 1695 1261 A 134 ARG HA A 133 TYR HBx 1.0 1.8 5.42 1696 1262 A 134 ARG H A 133 TYR HBy 1.0 1.8 4.61 1697 1262 A 134 ARG H A 133 TYR HBx 1.0 1.8 4.61 1698 1263 A 134 ARG H A 133 TYR HD% 1.0 1.8 4.72 1699 1264 A 133 TYR HD% A 135 GLY H 1.0 1.8 5.20 1700 1265 A 133 TYR H A 133 TYR HBy 1.0 1.8 3.51 1701 1265 A 133 TYR H A 133 TYR HBx 1.0 1.8 3.51 1702 1266 A 133 TYR H A 133 TYR HD% 1.0 1.8 4.42 1703 1267 A 134 ARG H A 133 TYR H 1.0 1.8 5.25 1704 1268 A 135 GLY H A 134 ARG HBx 1.0 1.8 6.05 1705 1269 A 135 GLY H A 134 ARG HBy 1.0 1.8 6.05 1706 1270 A 134 ARG H A 134 ARG HGx 1.0 1.8 4.62 1707 1270 A 134 ARG H A 134 ARG HGy 1.0 1.8 4.62 1708 1271 A 134 ARG H A 135 GLY H 1.0 1.8 5.19 1709 1272 A 136 LEU HA A 136 LEU HG 1.0 1.8 4.09 1710 1273 A 136 LEU HBx A 136 LEU HD1% 1.0 1.8 4.15 1711 1274 A 136 LEU HBx A 136 LEU HD2% 1.0 1.8 4.15 1712 1275 A 136 LEU HD1% A 136 LEU HBy 1.0 1.8 4.15 1713 1276 A 136 LEU HD2% A 136 LEU HBy 1.0 1.8 4.15 1714 1277 A 136 LEU HG A 137 GLU H 1.0 1.8 4.75 1715 1278 A 136 LEU HD1% A 136 LEU H 1.0 1.8 5.40 1716 1279 A 136 LEU HD2% A 136 LEU H 1.0 1.8 5.40 1717 1280 A 136 LEU HG A 136 LEU H 1.0 1.8 4.38 1718 1281 A 137 GLU HA A 137 GLU HGx 1.0 1.8 3.94 1719 1281 A 137 GLU HA A 137 GLU HGy 1.0 1.8 3.94 1720 1282 A 137 GLU H A 137 GLU HGx 1.0 1.8 4.82 1721 1282 A 137 GLU H A 137 GLU HGy 1.0 1.8 4.82 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 LEU H A 128 TRP O 1.0 1.7 2.3 2 2 A 128 TRP O A 5 LEU N 1.0 2.7 3.3 3 3 A 15 GLU H A 11 GLU O 1.0 1.7 2.3 4 4 A 11 GLU O A 15 GLU N 1.0 2.7 3.3 5 5 A 16 THR H A 12 GLU O 1.0 1.7 2.3 6 6 A 12 GLU O A 16 THR N 1.0 2.7 3.3 7 7 A 17 VAL H A 13 ASP O 1.0 1.7 2.3 8 8 A 13 ASP O A 17 VAL N 1.0 2.7 3.3 9 9 A 18 ILE H A 14 LEU O 1.0 1.7 2.3 10 10 A 14 LEU O A 18 ILE N 1.0 2.7 3.3 11 11 A 19 ARG H A 15 GLU O 1.0 1.7 2.3 12 12 A 15 GLU O A 19 ARG N 1.0 2.7 3.3 13 13 A 20 ALA H A 16 THR O 1.0 1.7 2.3 14 14 A 16 THR O A 20 ALA N 1.0 2.7 3.3 15 15 A 21 VAL H A 17 VAL O 1.0 1.7 2.3 16 16 A 17 VAL O A 21 VAL N 1.0 2.7 3.3 17 17 A 22 TYR H A 18 ILE O 1.0 1.7 2.3 18 18 A 18 ILE O A 22 TYR N 1.0 2.7 3.3 19 19 A 41 GLU H A 37 LEU O 1.0 1.7 2.3 20 20 A 37 LEU O A 41 GLU N 1.0 2.7 3.3 21 21 A 42 SER H A 38 VAL O 1.0 1.7 2.3 22 22 A 38 VAL O A 42 SER N 1.0 2.7 3.3 23 23 A 43 LEU H A 39 SER O 1.0 1.7 2.3 24 24 A 39 SER O A 43 LEU N 1.0 2.7 3.3 25 25 A 44 LEU H A 40 ALA O 1.0 1.7 2.3 26 26 A 40 ALA O A 44 LEU N 1.0 2.7 3.3 27 27 A 45 ARG H A 41 GLU O 1.0 1.7 2.3 28 28 A 41 GLU O A 45 ARG N 1.0 2.7 3.3 29 29 A 46 ASN H A 42 SER O 1.0 1.7 2.3 30 30 A 42 SER O A 46 ASN N 1.0 2.7 3.3 31 31 A 54 PHE H A 50 THR O 1.0 1.7 2.3 32 32 A 50 THR O A 54 PHE N 1.0 2.7 3.3 33 33 A 55 VAL H A 51 VAL O 1.0 1.7 2.3 34 34 A 51 VAL O A 55 VAL N 1.0 2.7 3.3 35 35 A 56 ARG H A 52 ARG O 1.0 1.7 2.3 36 36 A 52 ARG O A 56 ARG N 1.0 2.7 3.3 37 37 A 57 ALA H A 53 GLU O 1.0 1.7 2.3 38 38 A 53 GLU O A 57 ALA N 1.0 2.7 3.3 39 39 A 58 VAL H A 54 PHE O 1.0 1.7 2.3 40 40 A 54 PHE O A 58 VAL N 1.0 2.7 3.3 41 41 A 59 ALA H A 55 VAL O 1.0 1.7 2.3 42 42 A 55 VAL O A 59 ALA N 1.0 2.7 3.3 43 43 A 60 LYS H A 56 ARG O 1.0 1.7 2.3 44 44 A 56 ARG O A 60 LYS N 1.0 2.7 3.3 45 45 A 79 GLU H A 75 THR O 1.0 1.7 2.3 46 46 A 75 THR O A 79 GLU N 1.0 2.7 3.3 47 47 A 80 LEU H A 76 ARG O 1.0 1.7 2.3 48 48 A 76 ARG O A 80 LEU N 1.0 2.7 3.3 49 49 A 81 ASN H A 77 VAL O 1.0 1.7 2.3 50 50 A 77 VAL O A 81 ASN N 1.0 2.7 3.3 51 51 A 82 TYR H A 78 ILE O 1.0 1.7 2.3 52 52 A 78 ILE O A 82 TYR N 1.0 2.7 3.3 53 53 A 83 LYS H A 79 GLU O 1.0 1.7 2.3 54 54 A 79 GLU O A 83 LYS N 1.0 2.7 3.3 55 55 A 84 HIS H A 80 LEU O 1.0 1.7 2.3 56 56 A 80 LEU O A 84 HIS N 1.0 2.7 3.3 57 57 A 85 LEU H A 81 ASN O 1.0 1.7 2.3 58 58 A 81 ASN O A 85 LEU N 1.0 2.7 3.3 59 59 A 97 ILE H A 93 GLU O 1.0 1.7 2.3 60 60 A 93 GLU O A 97 ILE N 1.0 2.7 3.3 61 61 A 98 PHE H A 94 SER O 1.0 1.7 2.3 62 62 A 94 SER O A 98 PHE N 1.0 2.7 3.3 63 63 A 99 HIS H A 95 GLU O 1.0 1.7 2.3 64 64 A 95 GLU O A 99 HIS N 1.0 2.7 3.3 65 65 A 100 LEU H A 96 VAL O 1.0 1.7 2.3 66 66 A 96 VAL O A 100 LEU N 1.0 2.7 3.3 67 67 A 101 ASP H A 97 ILE O 1.0 1.7 2.3 68 68 A 97 ILE O A 101 ASP N 1.0 2.7 3.3 69 69 A 102 LEU H A 98 PHE O 1.0 1.7 2.3 70 70 A 98 PHE O A 102 LEU N 1.0 2.7 3.3 71 71 A 103 TYR H A 99 HIS O 1.0 1.7 2.3 72 72 A 99 HIS O A 103 TYR N 1.0 2.7 3.3 73 73 A 104 GLU H A 100 LEU O 1.0 1.7 2.3 74 74 A 100 LEU O A 104 GLU N 1.0 2.7 3.3 75 75 A 105 ASN H A 101 ASP O 1.0 1.7 2.3 76 76 A 101 ASP O A 105 ASN N 1.0 2.7 3.3 77 77 A 106 GLU H A 102 LEU O 1.0 1.7 2.3 78 78 A 102 LEU O A 106 GLU N 1.0 2.7 3.3 79 79 A 111 ASP H A 107 GLY O 1.0 1.7 2.3 80 80 A 107 GLY O A 111 ASP N 1.0 2.7 3.3 81 81 A 112 ILE H A 108 PHE O 1.0 1.7 2.3 82 82 A 108 PHE O A 112 ILE N 1.0 2.7 3.3 83 83 A 113 ASP H A 109 ASP O 1.0 1.7 2.3 84 84 A 109 ASP O A 113 ASP N 1.0 2.7 3.3 85 85 A 122 THR H A 118 SER O 1.0 1.7 2.3 86 86 A 118 SER O A 122 THR N 1.0 2.7 3.3 87 87 A 123 ASN H A 119 PRO O 1.0 1.7 2.3 88 88 A 119 PRO O A 123 ASN N 1.0 2.7 3.3 89 89 A 124 SER H A 120 GLU O 1.0 1.7 2.3 90 90 A 120 GLU O A 124 SER N 1.0 2.7 3.3 91 91 A 126 GLY H A 122 THR O 1.0 1.7 2.3 92 92 A 122 THR O A 126 GLY N 1.0 2.7 3.3 93 93 A 130 VAL H A 3 VAL O 1.0 1.7 2.3 94 94 A 3 VAL O A 130 VAL N 1.0 2.7 3.3 95 95 A 134 ARG H A 87 GLY O 1.0 1.7 2.3 96 96 A 87 GLY O A 134 ARG N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 1 MET C A 2 PRO N A 2 PRO CA A 2 PRO C 1.0 -98.1 -38.1 PHI 2 2 A 2 PRO N A 2 PRO CA A 2 PRO C A 3 VAL N 1.0 116.3 176.3 PSI 3 3 A 2 PRO C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -135.8 -54.8 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 99.7 160.1 PSI 5 5 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -139.8 -99.8 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LEU N 1.0 117.9 157.9 PSI 7 7 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -135.6 -85.2 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ARG N 1.0 100.7 143.3 PSI 9 9 A 5 LEU C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -144.3 -51.9 PHI 10 10 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 ALA N 1.0 100.3 209.1 PSI 11 11 A 8 ASN C A 9 TRP N A 9 TRP CA A 9 TRP C 1.0 -168.0 -51.6 PHI 12 12 A 9 TRP N A 9 TRP CA A 9 TRP C A 10 SER N 1.0 106.5 184.5 PSI 13 13 A 9 TRP C A 10 SER N A 10 SER CA A 10 SER C 1.0 -150.3 -44.5 PHI 14 14 A 10 SER N A 10 SER CA A 10 SER C A 11 GLU N 1.0 143.1 187.9 PSI 15 15 A 10 SER C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -81.4 -41.4 PHI 16 16 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -58.7 -18.7 PSI 17 17 A 11 GLU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -84.4 -44.4 PHI 18 18 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 ASP N 1.0 -60.7 -20.7 PSI 19 19 A 12 GLU C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -85.5 -45.5 PHI 20 20 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 LEU N 1.0 -62.6 -22.6 PSI 21 21 A 13 ASP C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -82.4 -42.4 PHI 22 22 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLU N 1.0 -62.5 -22.5 PSI 23 23 A 14 LEU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -85.8 -45.8 PHI 24 24 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 THR N 1.0 -57.4 -17.4 PSI 25 25 A 15 GLU C A 16 THR N A 16 THR CA A 16 THR C 1.0 -84.9 -44.9 PHI 26 26 A 16 THR N A 16 THR CA A 16 THR C A 17 VAL N 1.0 -60.3 -20.3 PSI 27 27 A 16 THR C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -86.3 -46.3 PHI 28 28 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 ILE N 1.0 -63.9 -23.9 PSI 29 29 A 17 VAL C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -83.0 -43.0 PHI 30 30 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ARG N 1.0 -63.1 -23.1 PSI 31 31 A 18 ILE C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -80.0 -40.0 PHI 32 32 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ALA N 1.0 -60.7 -20.7 PSI 33 33 A 19 ARG C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -85.2 -45.2 PHI 34 34 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 VAL N 1.0 -60.4 -20.4 PSI 35 35 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -88.1 -46.5 PHI 36 36 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 TYR N 1.0 -61.4 -19.4 PSI 37 37 A 37 LEU C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -82.8 -42.6 PHI 38 38 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 SER N 1.0 -60.9 -16.5 PSI 39 39 A 38 VAL C A 39 SER N A 39 SER CA A 39 SER C 1.0 -89.6 -49.6 PHI 40 40 A 39 SER N A 39 SER CA A 39 SER C A 40 ALA N 1.0 -57.4 -17.4 PSI 41 41 A 39 SER C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -84.6 -44.6 PHI 42 42 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 GLU N 1.0 -61.5 -21.5 PSI 43 43 A 40 ALA C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -81.3 -41.3 PHI 44 44 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 SER N 1.0 -63.4 -23.4 PSI 45 45 A 41 GLU C A 42 SER N A 42 SER CA A 42 SER C 1.0 -82.9 -42.9 PHI 46 46 A 42 SER N A 42 SER CA A 42 SER C A 43 LEU N 1.0 -64.4 -24.4 PSI 47 47 A 42 SER C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -84.5 -44.5 PHI 48 48 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LEU N 1.0 -61.5 -21.5 PSI 49 49 A 43 LEU C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -82.9 -42.9 PHI 50 50 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ARG N 1.0 -62.1 -22.1 PSI 51 51 A 44 LEU C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -83.3 -43.3 PHI 52 52 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 ASN N 1.0 -56.6 -16.6 PSI 53 53 A 45 ARG C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -121.8 -59.4 PHI 54 54 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 GLY N 1.0 -31.4 28.6 PSI 55 55 A 46 ASN C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 41.4 100.8 PHI 56 56 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 LYS N 1.0 -8.8 54.0 PSI 57 57 A 47 GLY C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -140.8 -52.6 PHI 58 58 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ILE N 1.0 -47.6 32.6 PSI 59 59 A 48 LYS C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -158.2 -85.0 PHI 60 60 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 THR N 1.0 149.4 189.4 PSI 61 61 A 49 ILE C A 50 THR N A 50 THR CA A 50 THR C 1.0 -146.7 -46.3 PHI 62 62 A 50 THR N A 50 THR CA A 50 THR C A 51 VAL N 1.0 134.0 194.6 PSI 63 63 A 50 THR C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -83.8 -41.6 PHI 64 64 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 ARG N 1.0 -62.3 -6.5 PSI 65 65 A 51 VAL C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -83.2 -43.2 PHI 66 66 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 GLU N 1.0 -65.1 -25.1 PSI 67 67 A 52 ARG C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -87.2 -47.2 PHI 68 68 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 PHE N 1.0 -58.4 -18.4 PSI 69 69 A 53 GLU C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -104.3 -36.9 PHI 70 70 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 VAL N 1.0 -60.5 -17.3 PSI 71 71 A 54 PHE C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -81.9 -41.9 PHI 72 72 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ARG N 1.0 -62.5 -22.5 PSI 73 73 A 55 VAL C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -79.1 -39.1 PHI 74 74 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 ALA N 1.0 -67.1 -27.1 PSI 75 75 A 56 ARG C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -82.0 -42.0 PHI 76 76 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 VAL N 1.0 -61.0 -21.0 PSI 77 77 A 57 ALA C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -85.6 -45.6 PHI 78 78 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 ALA N 1.0 -59.1 -19.1 PSI 79 79 A 58 VAL C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -86.5 -46.5 PHI 80 80 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 LYS N 1.0 -52.9 -2.9 PSI 81 81 A 59 ALA C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -134.2 -65.8 PHI 82 82 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 SER N 1.0 -24.6 15.4 PSI 83 83 A 73 PHE C A 74 GLN N A 74 GLN CA A 74 GLN C 1.0 -82.4 -42.4 PHI 84 84 A 74 GLN N A 74 GLN CA A 74 GLN C A 75 THR N 1.0 -66.7 -26.7 PSI 85 85 A 74 GLN C A 75 THR N A 75 THR CA A 75 THR C 1.0 -81.5 -41.5 PHI 86 86 A 75 THR N A 75 THR CA A 75 THR C A 76 ARG N 1.0 -60.1 -20.1 PSI 87 87 A 75 THR C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -86.5 -46.5 PHI 88 88 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 VAL N 1.0 -61.5 -21.5 PSI 89 89 A 76 ARG C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -82.2 -42.2 PHI 90 90 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 ILE N 1.0 -65.4 -25.4 PSI 91 91 A 77 VAL C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -85.1 -45.1 PHI 92 92 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 GLU N 1.0 -61.8 -21.8 PSI 93 93 A 78 ILE C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -83.2 -43.2 PHI 94 94 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 LEU N 1.0 -61.3 -21.3 PSI 95 95 A 79 GLU C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -86.1 -46.1 PHI 96 96 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 ASN N 1.0 -63.2 -23.2 PSI 97 97 A 80 LEU C A 81 ASN N A 81 ASN CA A 81 ASN C 1.0 -82.9 -42.9 PHI 98 98 A 81 ASN N A 81 ASN CA A 81 ASN C A 82 TYR N 1.0 -61.2 -21.2 PSI 99 99 A 81 ASN C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -81.5 -41.5 PHI 100 100 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 LYS N 1.0 -61.5 -21.5 PSI 101 101 A 82 TYR C A 83 LYS N A 83 LYS CA A 83 LYS C 1.0 -82.9 -42.9 PHI 102 102 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 HIS N 1.0 -55.4 -15.4 PSI 103 103 A 83 LYS C A 84 HIS N A 84 HIS CA A 84 HIS C 1.0 -94.4 -53.6 PHI 104 104 A 84 HIS N A 84 HIS CA A 84 HIS C A 85 LEU N 1.0 -63.8 -5.6 PSI 105 105 A 84 HIS C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -100.6 -36.8 PHI 106 106 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 LEU N 1.0 -52.9 -12.3 PSI 107 107 A 85 LEU C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -125.5 -74.3 PHI 108 108 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 GLY N 1.0 -45.5 29.3 PSI 109 109 A 86 LEU C A 87 GLY N A 87 GLY CA A 87 GLY C 1.0 48.0 88.0 PHI 110 110 A 87 GLY N A 87 GLY CA A 87 GLY C A 88 ARG N 1.0 15.3 59.9 PSI 111 111 A 88 ARG C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -151.3 -54.9 PHI 112 112 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 PRO N 1.0 45.0 185.0 PSI 113 113 A 89 ALA C A 90 PRO N A 90 PRO CA A 90 PRO C 1.0 -84.8 -37.2 PHI 114 114 A 90 PRO N A 90 PRO CA A 90 PRO C A 91 TYR N 1.0 86.0 226.0 PSI 115 115 A 90 PRO C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -123.8 -69.4 PHI 116 116 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 ASP N 1.0 -59.1 -6.5 PSI 117 117 A 91 TYR C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -182.8 -118.4 PHI 118 118 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 GLU N 1.0 137.7 201.1 PSI 119 119 A 92 ASP C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -87.0 -47.0 PHI 120 120 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 SER N 1.0 -57.3 -7.9 PSI 121 121 A 93 GLU C A 94 SER N A 94 SER CA A 94 SER C 1.0 -91.6 -51.6 PHI 122 122 A 94 SER N A 94 SER CA A 94 SER C A 95 GLU N 1.0 -53.9 -13.9 PSI 123 123 A 94 SER C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -84.4 -44.4 PHI 124 124 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 VAL N 1.0 -60.7 -20.7 PSI 125 125 A 95 GLU C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -84.0 -44.0 PHI 126 126 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 ILE N 1.0 -64.1 -24.1 PSI 127 127 A 96 VAL C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -85.1 -45.1 PHI 128 128 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 PHE N 1.0 -63.6 -23.6 PSI 129 129 A 97 ILE C A 98 PHE N A 98 PHE CA A 98 PHE C 1.0 -83.2 -43.2 PHI 130 130 A 98 PHE N A 98 PHE CA A 98 PHE C A 99 HIS N 1.0 -60.2 -20.2 PSI 131 131 A 98 PHE C A 99 HIS N A 99 HIS CA A 99 HIS C 1.0 -87.1 -47.1 PHI 132 132 A 99 HIS N A 99 HIS CA A 99 HIS C A 100 LEU N 1.0 -59.1 -19.1 PSI 133 133 A 99 HIS C A 100 LEU N A 100 LEU CA A 100 LEU C 1.0 -84.7 -44.7 PHI 134 134 A 100 LEU N A 100 LEU CA A 100 LEU C A 101 ASP N 1.0 -65.1 -25.1 PSI 135 135 A 100 LEU C A 101 ASP N A 101 ASP CA A 101 ASP C 1.0 -83.2 -43.2 PHI 136 136 A 101 ASP N A 101 ASP CA A 101 ASP C A 102 LEU N 1.0 -60.9 -20.9 PSI 137 137 A 101 ASP C A 102 LEU N A 102 LEU CA A 102 LEU C 1.0 -83.0 -43.0 PHI 138 138 A 102 LEU N A 102 LEU CA A 102 LEU C A 103 TYR N 1.0 -65.0 -25.0 PSI 139 139 A 102 LEU C A 103 TYR N A 103 TYR CA A 103 TYR C 1.0 -82.9 -42.9 PHI 140 140 A 103 TYR N A 103 TYR CA A 103 TYR C A 104 GLU N 1.0 -71.7 -11.7 PSI 141 141 A 103 TYR C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -108.5 -25.9 PHI 142 142 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 ASN N 1.0 -58.9 -18.9 PSI 143 143 A 104 GLU C A 105 ASN N A 105 ASN CA A 105 ASN C 1.0 -116.1 -42.9 PHI 144 144 A 105 ASN N A 105 ASN CA A 105 ASN C A 106 GLU N 1.0 -57.5 -7.1 PSI 145 145 A 105 ASN C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -134.3 -65.3 PHI 146 146 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 GLY N 1.0 -35.6 7.6 PSI 147 147 A 107 GLY C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -77.2 -37.2 PHI 148 148 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 ASP N 1.0 -60.9 -20.9 PSI 149 149 A 108 PHE C A 109 ASP N A 109 ASP CA A 109 ASP C 1.0 -80.7 -40.7 PHI 150 150 A 109 ASP N A 109 ASP CA A 109 ASP C A 110 ALA N 1.0 -60.1 -20.1 PSI 151 151 A 109 ASP C A 110 ALA N A 110 ALA CA A 110 ALA C 1.0 -82.8 -42.8 PHI 152 152 A 110 ALA N A 110 ALA CA A 110 ALA C A 111 ASP N 1.0 -59.8 -19.8 PSI 153 153 A 110 ALA C A 111 ASP N A 111 ASP CA A 111 ASP C 1.0 -85.2 -45.2 PHI 154 154 A 111 ASP N A 111 ASP CA A 111 ASP C A 112 ILE N 1.0 -66.1 -26.1 PSI 155 155 A 111 ASP C A 112 ILE N A 112 ILE CA A 112 ILE C 1.0 -87.3 -47.3 PHI 156 156 A 112 ILE N A 112 ILE CA A 112 ILE C A 113 ASP N 1.0 -66.5 -8.7 PSI 157 157 A 112 ILE C A 113 ASP N A 113 ASP CA A 113 ASP C 1.0 -80.1 -40.1 PHI 158 158 A 113 ASP N A 113 ASP CA A 113 ASP C A 114 SER N 1.0 -61.7 -21.7 PSI 159 159 A 113 ASP C A 114 SER N A 114 SER CA A 114 SER C 1.0 -82.3 -42.3 PHI 160 160 A 114 SER N A 114 SER CA A 114 SER C A 115 TYR N 1.0 -62.1 -22.1 PSI 161 161 A 114 SER C A 115 TYR N A 115 TYR CA A 115 TYR C 1.0 -86.6 -46.6 PHI 162 162 A 115 TYR N A 115 TYR CA A 115 TYR C A 116 ILE N 1.0 -56.5 -3.3 PSI 163 163 A 115 TYR C A 116 ILE N A 116 ILE CA A 116 ILE C 1.0 -92.5 -49.1 PHI 164 164 A 116 ILE N A 116 ILE CA A 116 ILE C A 117 ASP N 1.0 -68.7 -9.9 PSI 165 165 A 116 ILE C A 117 ASP N A 117 ASP CA A 117 ASP C 1.0 -116.2 -76.2 PHI 166 166 A 117 ASP N A 117 ASP CA A 117 ASP C A 118 SER N 1.0 -30.0 16.8 PSI 167 167 A 117 ASP C A 118 SER N A 118 SER CA A 118 SER C 1.0 -120.3 -33.7 PHI 168 168 A 118 SER N A 118 SER CA A 118 SER C A 119 PRO N 1.0 74.5 181.7 PSI 169 169 A 118 SER C A 119 PRO N A 119 PRO CA A 119 PRO C 1.0 -73.0 -33.0 PHI 170 170 A 119 PRO N A 119 PRO CA A 119 PRO C A 120 GLU N 1.0 -55.4 -15.4 PSI 171 171 A 119 PRO C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -87.4 -47.4 PHI 172 172 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 TYR N 1.0 -58.0 -18.0 PSI 173 173 A 120 GLU C A 121 TYR N A 121 TYR CA A 121 TYR C 1.0 -82.6 -42.6 PHI 174 174 A 121 TYR N A 121 TYR CA A 121 TYR C A 122 THR N 1.0 -62.5 -22.5 PSI 175 175 A 121 TYR C A 122 THR N A 122 THR CA A 122 THR C 1.0 -85.9 -45.9 PHI 176 176 A 122 THR N A 122 THR CA A 122 THR C A 123 ASN N 1.0 -62.5 -22.5 PSI 177 177 A 122 THR C A 123 ASN N A 123 ASN CA A 123 ASN C 1.0 -82.4 -42.4 PHI 178 178 A 123 ASN N A 123 ASN CA A 123 ASN C A 124 SER N 1.0 -61.3 -21.3 PSI 179 179 A 123 ASN C A 124 SER N A 124 SER CA A 124 SER C 1.0 -112.2 -45.4 PHI 180 180 A 124 SER N A 124 SER CA A 124 SER C A 125 PHE N 1.0 -57.5 25.3 PSI 181 181 A 124 SER C A 125 PHE N A 125 PHE CA A 125 PHE C 1.0 -130.7 -75.9 PHI 182 182 A 125 PHE N A 125 PHE CA A 125 PHE C A 126 GLY N 1.0 -37.7 40.9 PSI 183 183 A 126 GLY C A 127 ASP N A 127 ASP CA A 127 ASP C 1.0 -103.5 -27.3 PHI 184 184 A 127 ASP N A 127 ASP CA A 127 ASP C A 128 TRP N 1.0 -50.2 1.0 PSI 185 185 A 127 ASP C A 128 TRP N A 128 TRP CA A 128 TRP C 1.0 -141.8 -80.8 PHI 186 186 A 128 TRP N A 128 TRP CA A 128 TRP C A 129 VAL N 1.0 -40.8 38.8 PSI 187 187 A 128 TRP C A 129 VAL N A 129 VAL CA A 129 VAL C 1.0 -174.7 -34.7 PHI 188 188 A 129 VAL N A 129 VAL CA A 129 VAL C A 130 VAL N 1.0 98.5 165.1 PSI 189 189 A 129 VAL C A 130 VAL N A 130 VAL CA A 130 VAL C 1.0 -119.5 -47.9 PHI 190 190 A 130 VAL N A 130 VAL CA A 130 VAL C A 131 PRO N 1.0 98.6 170.8 PSI 191 191 A 131 PRO C A 132 TYR N A 132 TYR CA A 132 TYR C 1.0 -176.5 -85.5 PHI 192 192 A 132 TYR N A 132 TYR CA A 132 TYR C A 133 TYR N 1.0 127.2 196.0 PSI 193 193 A 132 TYR C A 133 TYR N A 133 TYR CA A 133 TYR C 1.0 -106.1 -45.3 PHI 194 194 A 133 TYR N A 133 TYR CA A 133 TYR C A 134 ARG N 1.0 99.3 147.5 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 15N 2326.051 2 1H 10201.248 3 1H 12755.102 stop_ save_ save_Cnoesy_aliph.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14104.372 2 1H 10204.082 3 1H 15243.902 stop_ save_ save_Cnoesy_arom.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_arom.list _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 6414.368 2 1H 10204.082 3 1H 15243.902 stop_ save_ save_4D_ccnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4D_ccnoesy.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3114.173 2 13C 3114.173 3 1H 4188.043 4 1H 8000.000 stop_ save_