data_nef_c18281_2lpx 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 GLY middle . false 3 A 3 VAL middle . . 4 A 4 TYR middle . . 5 A 5 THR middle . . 6 A 6 TYR middle . . 7 A 7 GLU middle . . 8 A 8 ASN middle . . 9 A 9 GLU middle . . 10 A 10 PHE middle . . 11 A 11 THR middle . . 12 A 12 SER middle . . 13 A 13 ASP middle . . 14 A 14 ILE middle . . 15 A 15 PRO middle . false 16 A 16 ALA middle . . 17 A 17 PRO middle . false 18 A 18 LYS middle . . 19 A 19 LEU middle . . 20 A 20 PHE middle . . 21 A 21 LYS middle . . 22 A 22 ALA middle . . 23 A 23 PHE middle . . 24 A 24 VAL middle . . 25 A 25 LEU middle . . 26 A 26 ASP middle . . 27 A 27 ALA middle . . 28 A 28 ASP middle . . 29 A 29 ASN middle . . 30 A 30 LEU middle . . 31 A 31 ILE middle . . 32 A 32 PRO middle . false 33 A 33 LYS middle . . 34 A 34 ILE middle . . 35 A 35 ALA middle . . 36 A 36 PRO middle . false 37 A 37 GLN middle . . 38 A 38 ALA middle . . 39 A 39 VAL middle . . 40 A 40 LYS middle . . 41 A 41 CYS middle . . 42 A 42 ALA middle . . 43 A 43 GLU middle . . 44 A 44 ILE middle . . 45 A 45 LEU middle . . 46 A 46 GLU middle . . 47 A 47 GLY middle . false 48 A 48 ASP middle . . 49 A 49 GLY middle . false 50 A 50 GLY middle . false 51 A 51 PRO middle . false 52 A 52 GLY middle . false 53 A 53 THR middle . . 54 A 54 ILE middle . . 55 A 55 LYS middle . . 56 A 56 LYS middle . . 57 A 57 ILE middle . . 58 A 58 THR middle . . 59 A 59 PHE middle . . 60 A 60 GLY middle . false 61 A 61 GLU middle . . 62 A 62 GLY middle . false 63 A 63 SER middle . . 64 A 64 HIS middle . . 65 A 65 TYR middle . . 66 A 66 GLY middle . false 67 A 67 TYR middle . . 68 A 68 VAL middle . . 69 A 69 LYS middle . . 70 A 70 HIS middle . . 71 A 71 LYS middle . . 72 A 72 ILE middle . . 73 A 73 HIS middle . . 74 A 74 SER middle . . 75 A 75 ILE middle . . 76 A 76 ASP middle . . 77 A 77 LYS middle . . 78 A 78 VAL middle . . 79 A 79 ASN middle . . 80 A 80 HIS middle . . 81 A 81 THR middle . . 82 A 82 TYR middle . . 83 A 83 SER middle . . 84 A 84 TYR middle . . 85 A 85 SER middle . . 86 A 86 LEU middle . . 87 A 87 ILE middle . . 88 A 88 GLU middle . . 89 A 89 GLY middle . false 90 A 90 ASP middle . . 91 A 91 ALA middle . . 92 A 92 LEU middle . . 93 A 93 SER middle . . 94 A 94 GLU middle . . 95 A 95 ASN middle . . 96 A 96 ILE middle . . 97 A 97 GLU middle . . 98 A 98 LYS middle . . 99 A 99 ILE middle . . 100 A 100 ASP middle . . 101 A 101 TYR middle . . 102 A 102 GLU middle . . 103 A 103 THR middle . . 104 A 104 LYS middle . . 105 A 105 LEU middle . . 106 A 106 VAL middle . . 107 A 107 SER middle . . 108 A 108 ALA middle . . 109 A 109 PRO middle . false 110 A 110 HIS middle . . 111 A 111 GLY middle . false 112 A 112 GLY middle . false 113 A 113 THR middle . . 114 A 114 ILE middle . . 115 A 115 ILE middle . . 116 A 116 LYS middle . . 117 A 117 THR middle . . 118 A 118 THR middle . . 119 A 119 SER middle . . 120 A 120 LYS middle . . 121 A 121 TYR middle . . 122 A 122 HIS middle . . 123 A 123 THR middle . . 124 A 124 LYS middle . . 125 A 125 GLY middle . false 126 A 126 ASP middle . . 127 A 127 VAL middle . . 128 A 128 GLU middle . . 129 A 129 ILE middle . . 130 A 130 LYS middle . . 131 A 131 GLU middle . . 132 A 132 GLU middle . . 133 A 133 HIS middle . . 134 A 134 VAL middle . . 135 A 135 LYS middle . . 136 A 136 ALA middle . . 137 A 137 GLY middle . false 138 A 138 LYS middle . . 139 A 139 GLU middle . . 140 A 140 LYS middle . . 141 A 141 ALA middle . . 142 A 142 ALA middle . . 143 A 143 HIS middle . . 144 A 144 LEU middle . . 145 A 145 PHE middle . . 146 A 146 LYS middle . . 147 A 147 LEU middle . . 148 A 148 ILE middle . . 149 A 149 GLU middle . . 150 A 150 GLY middle . false 151 A 151 TYR middle . . 152 A 152 LEU middle . . 153 A 153 LYS middle . . 154 A 154 ASP middle . . 155 A 155 HIS middle . . 156 A 156 PRO middle . false 157 A 157 SER middle . . 158 A 158 GLU middle . . 159 A 159 TYR middle . . 160 A 160 ASN middle . . 161 A 161 GLY middle . false 162 A 162 SER middle . . 163 A 163 ARG middle . . 164 A 164 SER middle . . 165 A 165 HIS middle . . 166 A 166 HIS middle . . 167 A 167 HIS middle . . 168 A 168 HIS middle . . 169 A 169 HIS middle . . 170 A 170 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 1 MET HA H 1 4.79 0.03 A 1 MET CA C 13 55.07 0.20 A 2 GLY H H 1 8.47 0.03 A 2 GLY HAy H 1 4.10 0.03 A 2 GLY HAx H 1 3.84 0.03 A 2 GLY C C 13 173.15 0.20 A 2 GLY CA C 13 45.16 0.20 A 2 GLY N N 15 110.39 0.20 A 3 VAL H H 1 7.63 0.03 A 3 VAL HA H 1 4.92 0.03 A 3 VAL HB H 1 1.67 0.03 A 3 VAL HGx% H 1 0.58 0.03 A 3 VAL HGy% H 1 0.47 0.03 A 3 VAL CA C 13 61.02 0.20 A 3 VAL CB C 13 34.13 0.20 A 3 VAL CGx C 13 20.79 0.20 A 3 VAL CGy C 13 20.79 0.20 A 3 VAL N N 15 119.91 0.20 A 4 TYR H H 1 8.66 0.03 A 4 TYR HA H 1 4.67 0.03 A 4 TYR HBx H 1 2.88 0.03 A 4 TYR HBy H 1 2.88 0.03 A 4 TYR C C 13 174.67 0.20 A 4 TYR CA C 13 57.47 0.20 A 4 TYR CB C 13 41.27 0.20 A 4 TYR N N 15 119.93 0.20 A 5 THR H H 1 8.23 0.03 A 5 THR HA H 1 5.29 0.03 A 5 THR HB H 1 3.81 0.03 A 5 THR HG2% H 1 1.06 0.03 A 5 THR C C 13 173.18 0.20 A 5 THR CA C 13 61.78 0.20 A 5 THR CB C 13 70.36 0.20 A 5 THR CG2 C 13 21.57 0.20 A 5 THR N N 15 119.93 0.20 A 6 TYR H H 1 9.21 0.03 A 6 TYR HA H 1 5.29 0.03 A 6 TYR HBx H 1 3.16 0.03 A 6 TYR HBy H 1 3.16 0.03 A 6 TYR C C 13 174.38 0.20 A 6 TYR CA C 13 57.11 0.20 A 6 TYR CB C 13 41.85 0.20 A 6 TYR N N 15 125.06 0.20 A 7 GLU H H 1 8.83 0.03 A 7 GLU HA H 1 5.36 0.03 A 7 GLU HBx H 1 2.07 0.03 A 7 GLU HBy H 1 2.07 0.03 A 7 GLU HGx H 1 2.22 0.03 A 7 GLU HGy H 1 2.22 0.03 A 7 GLU C C 13 175.39 0.20 A 7 GLU CA C 13 54.98 0.20 A 7 GLU CB C 13 33.05 0.20 A 7 GLU CG C 13 36.17 0.20 A 7 GLU N N 15 122.36 0.20 A 8 ASN H H 1 8.80 0.03 A 8 ASN HA H 1 5.10 0.03 A 8 ASN HBy H 1 2.74 0.03 A 8 ASN HBx H 1 2.62 0.03 A 8 ASN HD21 H 1 7.84 0.03 A 8 ASN HD22 H 1 6.84 0.03 A 8 ASN CA C 13 52.62 0.20 A 8 ASN CB C 13 43.21 0.20 A 8 ASN N N 15 119.96 0.20 A 8 ASN ND2 N 15 112.84 0.20 A 9 GLU H H 1 8.33 0.03 A 9 GLU HA H 1 5.60 0.03 A 9 GLU HBx H 1 1.85 0.03 A 9 GLU HBy H 1 1.85 0.03 A 9 GLU HGx H 1 2.07 0.03 A 9 GLU HGy H 1 2.07 0.03 A 9 GLU C C 13 174.59 0.20 A 9 GLU CA C 13 54.77 0.20 A 9 GLU CB C 13 33.75 0.20 A 9 GLU CG C 13 36.42 0.20 A 9 GLU N N 15 121.42 0.20 A 10 PHE H H 1 8.76 0.03 A 10 PHE HA H 1 5.02 0.03 A 10 PHE HBy H 1 3.14 0.03 A 10 PHE HBx H 1 2.75 0.03 A 10 PHE C C 13 173.88 0.20 A 10 PHE CA C 13 55.55 0.20 A 10 PHE CB C 13 41.47 0.20 A 10 PHE N N 15 121.24 0.20 A 11 THR H H 1 8.47 0.03 A 11 THR HA H 1 5.17 0.03 A 11 THR HB H 1 4.20 0.03 A 11 THR HG2% H 1 1.20 0.03 A 11 THR C C 13 173.53 0.20 A 11 THR CA C 13 60.94 0.20 A 11 THR CB C 13 71.26 0.20 A 11 THR CG2 C 13 21.57 0.20 A 11 THR N N 15 113.11 0.20 A 12 SER H H 1 8.87 0.03 A 12 SER HBx H 1 3.28 0.03 A 12 SER HBy H 1 3.75 0.03 A 12 SER C C 13 173.53 0.20 A 12 SER CA C 13 56.46 0.20 A 12 SER CB C 13 66.32 0.20 A 12 SER N N 15 115.49 0.20 A 13 ASP H H 1 9.06 0.03 A 13 ASP HA H 1 4.74 0.03 A 13 ASP HBy H 1 2.76 0.03 A 13 ASP HBx H 1 2.59 0.03 A 13 ASP C C 13 174.52 0.20 A 13 ASP CA C 13 55.03 0.20 A 13 ASP CB C 13 41.00 0.20 A 13 ASP N N 15 126.65 0.20 A 14 ILE H H 1 8.47 0.03 A 14 ILE HA H 1 4.35 0.03 A 14 ILE HB H 1 2.04 0.03 A 14 ILE HD1% H 1 0.85 0.03 A 14 ILE HG1y H 1 1.60 0.03 A 14 ILE HG1x H 1 1.39 0.03 A 14 ILE HG2% H 1 1.07 0.03 A 14 ILE CA C 13 57.39 0.20 A 14 ILE CB C 13 37.34 0.20 A 14 ILE CD1 C 13 10.54 0.20 A 14 ILE CG1 C 13 27.12 0.20 A 14 ILE CG2 C 13 16.98 0.20 A 14 ILE N N 15 123.58 0.20 A 15 PRO HA H 1 4.44 0.03 A 15 PRO HBx H 1 1.98 0.03 A 15 PRO HBy H 1 2.57 0.03 A 15 PRO HDy H 1 4.09 0.03 A 15 PRO HDx H 1 3.61 0.03 A 15 PRO HGx H 1 2.00 0.03 A 15 PRO HGy H 1 2.09 0.03 A 15 PRO C C 13 177.13 0.20 A 15 PRO CA C 13 63.07 0.20 A 15 PRO CB C 13 33.45 0.20 A 15 PRO CD C 13 51.45 0.20 A 15 PRO CG C 13 27.53 0.20 A 16 ALA H H 1 8.57 0.03 A 16 ALA HA H 1 4.00 0.03 A 16 ALA HB% H 1 1.17 0.03 A 16 ALA CA C 13 57.10 0.20 A 16 ALA CB C 13 16.30 0.20 A 16 ALA N N 15 126.78 0.20 A 17 PRO HA H 1 3.90 0.03 A 17 PRO HBx H 1 2.17 0.03 A 17 PRO HBy H 1 2.17 0.03 A 17 PRO HDx H 1 2.51 0.03 A 17 PRO HDy H 1 2.51 0.03 A 17 PRO HGx H 1 1.93 0.03 A 17 PRO HGy H 1 2.02 0.03 A 17 PRO C C 13 179.61 0.20 A 17 PRO CA C 13 66.01 0.20 A 17 PRO CB C 13 30.90 0.20 A 17 PRO CD C 13 50.14 0.20 A 17 PRO CG C 13 28.66 0.20 A 18 LYS H H 1 6.71 0.03 A 18 LYS HA H 1 4.14 0.03 A 18 LYS HBx H 1 1.89 0.03 A 18 LYS HBy H 1 1.95 0.03 A 18 LYS HDy H 1 1.66 0.03 A 18 LYS HDx H 1 1.56 0.03 A 18 LYS HEx H 1 3.04 0.03 A 18 LYS HEy H 1 3.04 0.03 A 18 LYS HGx H 1 1.42 0.03 A 18 LYS HGy H 1 1.42 0.03 A 18 LYS CA C 13 59.27 0.20 A 18 LYS CB C 13 32.32 0.20 A 18 LYS CD C 13 29.13 0.20 A 18 LYS CE C 13 42.05 0.20 A 18 LYS CG C 13 25.27 0.20 A 18 LYS N N 15 116.63 0.20 A 19 LEU H H 1 7.95 0.03 A 19 LEU HA H 1 3.84 0.03 A 19 LEU HBx H 1 1.54 0.03 A 19 LEU HBy H 1 1.54 0.03 A 19 LEU HDx% H 1 0.91 0.03 A 19 LEU HDy% H 1 0.80 0.03 A 19 LEU C C 13 178.38 0.20 A 19 LEU CA C 13 57.43 0.20 A 19 LEU CB C 13 42.09 0.20 A 19 LEU CDx C 13 24.07 0.20 A 19 LEU CDy C 13 24.07 0.20 A 19 LEU CG C 13 26.39 0.20 A 19 LEU N N 15 118.93 0.20 A 20 PHE H H 1 9.04 0.03 A 20 PHE HA H 1 3.85 0.03 A 20 PHE HBx H 1 2.97 0.03 A 20 PHE HBy H 1 2.97 0.03 A 20 PHE HD1 H 1 7.25 0.03 A 20 PHE HD2 H 1 7.25 0.03 A 20 PHE C C 13 177.68 0.20 A 20 PHE CA C 13 62.88 0.20 A 20 PHE CB C 13 39.42 0.20 A 20 PHE N N 15 118.66 0.20 A 21 LYS H H 1 7.63 0.03 A 21 LYS HA H 1 3.77 0.03 A 21 LYS HBx H 1 1.81 0.03 A 21 LYS HBy H 1 1.81 0.03 A 21 LYS HDx H 1 1.58 0.03 A 21 LYS HDy H 1 1.58 0.03 A 21 LYS HEx H 1 3.05 0.03 A 21 LYS HEy H 1 3.05 0.03 A 21 LYS C C 13 176.40 0.20 A 21 LYS CA C 13 60.16 0.20 A 21 LYS CB C 13 33.00 0.20 A 21 LYS CD C 13 29.90 0.20 A 21 LYS CE C 13 42.30 0.20 A 21 LYS CG C 13 26.02 0.20 A 21 LYS N N 15 118.43 0.20 A 22 ALA H H 1 7.39 0.03 A 22 ALA HA H 1 4.77 0.03 A 22 ALA HB% H 1 0.92 0.03 A 22 ALA C C 13 175.45 0.20 A 22 ALA CA C 13 55.54 0.20 A 22 ALA CB C 13 20.20 0.20 A 22 ALA N N 15 118.71 0.20 A 23 PHE H H 1 8.40 0.03 A 23 PHE HA H 1 4.24 0.03 A 23 PHE HBy H 1 3.01 0.03 A 23 PHE HBx H 1 2.88 0.03 A 23 PHE HD1 H 1 6.97 0.03 A 23 PHE HD2 H 1 6.97 0.03 A 23 PHE HE1 H 1 7.21 0.03 A 23 PHE HE2 H 1 7.21 0.03 A 23 PHE C C 13 174.13 0.20 A 23 PHE CA C 13 58.32 0.20 A 23 PHE CB C 13 40.44 0.20 A 23 PHE N N 15 109.72 0.20 A 24 VAL H H 1 7.22 0.03 A 24 VAL HA H 1 3.32 0.03 A 24 VAL HB H 1 0.83 0.03 A 24 VAL HGx% H 1 0.21 0.03 A 24 VAL HGy% H 1 -0.30 0.03 A 24 VAL C C 13 177.66 0.20 A 24 VAL CA C 13 63.50 0.20 A 24 VAL CB C 13 30.88 0.20 A 24 VAL CGy C 13 20.80 0.20 A 24 VAL CGx C 13 20.00 0.20 A 24 VAL N N 15 113.25 0.20 A 25 LEU H H 1 7.18 0.03 A 25 LEU HA H 1 3.89 0.03 A 25 LEU HBx H 1 1.60 0.03 A 25 LEU HBy H 1 1.69 0.03 A 25 LEU HDx% H 1 0.88 0.03 A 25 LEU HDy% H 1 0.81 0.03 A 25 LEU HG H 1 1.12 0.03 A 25 LEU CA C 13 57.91 0.20 A 25 LEU CB C 13 41.00 0.20 A 25 LEU CDx C 13 24.20 0.20 A 25 LEU CDy C 13 24.20 0.20 A 25 LEU CG C 13 26.30 0.20 A 25 LEU N N 15 116.25 0.20 A 26 ASP H H 1 8.07 0.03 A 26 ASP HA H 1 5.30 0.03 A 26 ASP HBy H 1 2.91 0.03 A 26 ASP HBx H 1 2.59 0.03 A 26 ASP C C 13 177.30 0.20 A 26 ASP CA C 13 53.17 0.20 A 26 ASP CB C 13 42.92 0.20 A 26 ASP N N 15 117.16 0.20 A 27 ALA H H 1 6.36 0.03 A 27 ALA HA H 1 3.76 0.03 A 27 ALA HB% H 1 1.18 0.03 A 27 ALA C C 13 178.90 0.20 A 27 ALA CA C 13 56.04 0.20 A 27 ALA CB C 13 19.43 0.20 A 27 ALA N N 15 123.04 0.20 A 28 ASP H H 1 8.29 0.03 A 28 ASP HA H 1 3.98 0.03 A 28 ASP HBx H 1 2.57 0.03 A 28 ASP HBy H 1 2.57 0.03 A 28 ASP C C 13 175.85 0.20 A 28 ASP CA C 13 55.54 0.20 A 28 ASP CB C 13 39.64 0.20 A 28 ASP N N 15 115.06 0.20 A 29 ASN H H 1 7.36 0.03 A 29 ASN HA H 1 4.73 0.03 A 29 ASN HBx H 1 2.71 0.03 A 29 ASN HBy H 1 2.71 0.03 A 29 ASN C C 13 176.43 0.20 A 29 ASN CA C 13 53.61 0.20 A 29 ASN CB C 13 40.26 0.20 A 29 ASN N N 15 113.11 0.20 A 30 LEU H H 1 8.32 0.03 A 30 LEU HA H 1 4.02 0.03 A 30 LEU HBx H 1 1.61 0.03 A 30 LEU HBy H 1 1.61 0.03 A 30 LEU HDx% H 1 0.45 0.03 A 30 LEU HDy% H 1 0.45 0.03 A 30 LEU HG H 1 0.65 0.03 A 30 LEU CA C 13 57.80 0.20 A 30 LEU CB C 13 42.78 0.20 A 30 LEU CDx C 13 22.31 0.20 A 30 LEU CDy C 13 22.31 0.20 A 30 LEU CG C 13 25.44 0.20 A 30 LEU N N 15 120.63 0.20 A 31 ILE H H 1 8.14 0.03 A 31 ILE HA H 1 3.65 0.03 A 31 ILE HB H 1 1.96 0.03 A 31 ILE HD1% H 1 0.81 0.03 A 31 ILE HG1y H 1 1.12 0.03 A 31 ILE HG2% H 1 0.89 0.03 A 31 ILE CA C 13 66.80 0.20 A 31 ILE CB C 13 33.91 0.20 A 31 ILE CD1 C 13 11.86 0.20 A 31 ILE CG1 C 13 29.24 0.20 A 31 ILE CG2 C 13 18.41 0.20 A 31 ILE N N 15 116.17 0.20 A 32 PRO HA H 1 4.52 0.03 A 32 PRO HBx H 1 2.33 0.03 A 32 PRO HBy H 1 2.33 0.03 A 32 PRO HDx H 1 3.34 0.03 A 32 PRO HDy H 1 3.34 0.03 A 32 PRO HGx H 1 2.04 0.03 A 32 PRO HGy H 1 2.04 0.03 A 32 PRO C C 13 177.68 0.20 A 32 PRO CA C 13 65.52 0.20 A 32 PRO CB C 13 31.52 0.20 A 32 PRO CD C 13 50.07 0.20 A 32 PRO CG C 13 26.65 0.20 A 33 LYS H H 1 6.88 0.03 A 33 LYS HA H 1 4.15 0.03 A 33 LYS HBx H 1 1.86 0.03 A 33 LYS HBy H 1 1.86 0.03 A 33 LYS HDx H 1 1.59 0.03 A 33 LYS HDy H 1 1.59 0.03 A 33 LYS HEx H 1 2.91 0.03 A 33 LYS HEy H 1 2.91 0.03 A 33 LYS HGx H 1 1.32 0.03 A 33 LYS HGy H 1 1.32 0.03 A 33 LYS C C 13 178.22 0.20 A 33 LYS CA C 13 58.29 0.20 A 33 LYS CB C 13 32.91 0.20 A 33 LYS CD C 13 29.53 0.20 A 33 LYS CE C 13 42.12 0.20 A 33 LYS CG C 13 25.06 0.20 A 33 LYS N N 15 112.41 0.20 A 34 ILE H H 1 7.56 0.03 A 34 ILE HA H 1 4.32 0.03 A 34 ILE HB H 1 1.84 0.03 A 34 ILE HD1% H 1 0.54 0.03 A 34 ILE HG1x H 1 1.07 0.03 A 34 ILE HG1y H 1 1.25 0.03 A 34 ILE HG2% H 1 0.65 0.03 A 34 ILE C C 13 175.92 0.20 A 34 ILE CA C 13 61.82 0.20 A 34 ILE CB C 13 39.35 0.20 A 34 ILE CD1 C 13 14.50 0.20 A 34 ILE CG1 C 13 25.54 0.20 A 34 ILE CG2 C 13 18.20 0.20 A 34 ILE N N 15 112.26 0.20 A 35 ALA H H 1 8.82 0.03 A 35 ALA HA H 1 4.97 0.03 A 35 ALA HB% H 1 1.19 0.03 A 35 ALA CA C 13 50.36 0.20 A 35 ALA CB C 13 19.26 0.20 A 35 ALA N N 15 124.42 0.20 A 36 PRO HA H 1 4.73 0.03 A 36 PRO HBx H 1 2.51 0.03 A 36 PRO HBy H 1 2.51 0.03 A 36 PRO HDy H 1 3.63 0.03 A 36 PRO HDx H 1 3.36 0.03 A 36 PRO HGy H 1 2.10 0.03 A 36 PRO HGx H 1 1.99 0.03 A 36 PRO C C 13 177.89 0.20 A 36 PRO CA C 13 64.24 0.20 A 36 PRO CB C 13 31.68 0.20 A 36 PRO CD C 13 50.37 0.20 A 36 PRO CG C 13 27.55 0.20 A 37 GLN H H 1 8.66 0.03 A 37 GLN HA H 1 4.25 0.03 A 37 GLN HBx H 1 2.07 0.03 A 37 GLN HBy H 1 2.07 0.03 A 37 GLN HE21 H 1 7.01 0.03 A 37 GLN HE22 H 1 7.68 0.03 A 37 GLN HGy H 1 2.51 0.03 A 37 GLN HGx H 1 2.36 0.03 A 37 GLN C C 13 177.74 0.20 A 37 GLN CA C 13 57.31 0.20 A 37 GLN CB C 13 27.52 0.20 A 37 GLN CG C 13 33.61 0.20 A 37 GLN N N 15 115.58 0.20 A 37 GLN NE2 N 15 111.99 0.20 A 38 ALA H H 1 8.03 0.03 A 38 ALA HA H 1 4.39 0.03 A 38 ALA HB% H 1 1.45 0.03 A 38 ALA C C 13 177.85 0.20 A 38 ALA CA C 13 53.50 0.20 A 38 ALA CB C 13 19.83 0.20 A 38 ALA N N 15 123.25 0.20 A 39 VAL H H 1 7.66 0.03 A 39 VAL HA H 1 4.13 0.03 A 39 VAL HB H 1 2.10 0.03 A 39 VAL HGx% H 1 0.72 0.03 A 39 VAL HGy% H 1 0.81 0.03 A 39 VAL C C 13 172.75 0.20 A 39 VAL CA C 13 62.45 0.20 A 39 VAL CB C 13 32.63 0.20 A 39 VAL CGx C 13 20.96 0.20 A 39 VAL CGy C 13 20.96 0.20 A 39 VAL N N 15 117.33 0.20 A 40 LYS H H 1 8.91 0.03 A 40 LYS HA H 1 4.46 0.03 A 40 LYS HBx H 1 1.78 0.03 A 40 LYS HBy H 1 1.78 0.03 A 40 LYS HDx H 1 1.63 0.03 A 40 LYS HDy H 1 1.63 0.03 A 40 LYS HEx H 1 2.95 0.03 A 40 LYS HEy H 1 2.95 0.03 A 40 LYS HGx H 1 1.36 0.03 A 40 LYS HGy H 1 1.36 0.03 A 40 LYS C C 13 177.24 0.20 A 40 LYS CA C 13 57.45 0.20 A 40 LYS CB C 13 34.00 0.20 A 40 LYS CD C 13 29.56 0.20 A 40 LYS CE C 13 41.20 0.20 A 40 LYS CG C 13 25.00 0.20 A 40 LYS N N 15 125.27 0.20 A 41 CYS H H 1 7.68 0.03 A 41 CYS HA H 1 4.56 0.03 A 41 CYS HBx H 1 2.99 0.03 A 41 CYS HBy H 1 2.99 0.03 A 41 CYS C C 13 170.90 0.20 A 41 CYS CA C 13 57.02 0.20 A 41 CYS CB C 13 29.80 0.20 A 41 CYS N N 15 112.21 0.20 A 42 ALA H H 1 8.70 0.03 A 42 ALA HA H 1 5.22 0.03 A 42 ALA HB% H 1 1.15 0.03 A 42 ALA C C 13 175.69 0.20 A 42 ALA CA C 13 50.98 0.20 A 42 ALA CB C 13 22.00 0.20 A 42 ALA N N 15 125.62 0.20 A 43 GLU H H 1 8.81 0.03 A 43 GLU HA H 1 4.66 0.03 A 43 GLU HBx H 1 1.88 0.03 A 43 GLU HBy H 1 1.88 0.03 A 43 GLU HGx H 1 2.01 0.03 A 43 GLU HGy H 1 2.01 0.03 A 43 GLU CA C 13 54.37 0.20 A 43 GLU CB C 13 34.12 0.20 A 43 GLU CG C 13 36.38 0.20 A 43 GLU N N 15 120.73 0.20 A 44 ILE HA H 1 4.04 0.03 A 44 ILE HB H 1 1.83 0.03 A 44 ILE HD1% H 1 0.77 0.03 A 44 ILE HG1x H 1 1.62 0.03 A 44 ILE HG1y H 1 1.62 0.03 A 44 ILE HG2% H 1 0.72 0.03 A 44 ILE C C 13 176.19 0.20 A 44 ILE CA C 13 61.99 0.20 A 44 ILE CB C 13 37.78 0.20 A 44 ILE CD1 C 13 12.00 0.20 A 44 ILE CG1 C 13 28.32 0.20 A 44 ILE CG2 C 13 18.00 0.20 A 45 LEU H H 1 9.09 0.03 A 45 LEU HA H 1 4.45 0.03 A 45 LEU HBx H 1 1.62 0.03 A 45 LEU HBy H 1 1.62 0.03 A 45 LEU HDx% H 1 0.88 0.03 A 45 LEU HDy% H 1 0.77 0.03 A 45 LEU C C 13 177.27 0.20 A 45 LEU CA C 13 56.01 0.20 A 45 LEU CB C 13 42.48 0.20 A 45 LEU CDx C 13 24.44 0.20 A 45 LEU CDy C 13 24.44 0.20 A 45 LEU CG C 13 26.12 0.20 A 45 LEU N N 15 129.03 0.20 A 46 GLU H H 1 7.70 0.03 A 46 GLU HA H 1 4.61 0.03 A 46 GLU HBy H 1 2.13 0.03 A 46 GLU HBx H 1 1.97 0.03 A 46 GLU HGy H 1 2.26 0.03 A 46 GLU HGx H 1 2.19 0.03 A 46 GLU C C 13 174.84 0.20 A 46 GLU CA C 13 55.61 0.20 A 46 GLU CB C 13 33.57 0.20 A 46 GLU CG C 13 36.28 0.20 A 46 GLU N N 15 116.64 0.20 A 47 GLY H H 1 8.62 0.03 A 47 GLY HAy H 1 4.62 0.03 A 47 GLY HAx H 1 3.82 0.03 A 47 GLY C C 13 173.63 0.20 A 47 GLY CA C 13 44.68 0.20 A 47 GLY N N 15 110.23 0.20 A 48 ASP H H 1 7.96 0.03 A 48 ASP HA H 1 4.77 0.03 A 48 ASP HBy H 1 3.09 0.03 A 48 ASP HBx H 1 2.58 0.03 A 48 ASP C C 13 177.34 0.20 A 48 ASP CA C 13 52.92 0.20 A 48 ASP CB C 13 41.68 0.20 A 48 ASP N N 15 115.22 0.20 A 49 GLY H H 1 8.75 0.03 A 49 GLY HAy H 1 4.67 0.03 A 49 GLY HAx H 1 3.44 0.03 A 49 GLY C C 13 174.75 0.20 A 49 GLY CA C 13 45.31 0.20 A 49 GLY N N 15 110.90 0.20 A 50 GLY H H 1 8.30 0.03 A 50 GLY HAx H 1 4.05 0.03 A 50 GLY HAy H 1 4.50 0.03 A 50 GLY CA C 13 43.60 0.20 A 50 GLY N N 15 107.02 0.20 A 51 PRO HA H 1 3.96 0.03 A 51 PRO HBx H 1 2.04 0.03 A 51 PRO HBy H 1 2.04 0.03 A 51 PRO C C 13 176.78 0.20 A 51 PRO CA C 13 65.00 0.20 A 51 PRO CB C 13 31.87 0.20 A 51 PRO CD C 13 50.13 0.20 A 51 PRO CG C 13 28.47 0.20 A 52 GLY H H 1 9.24 0.03 A 52 GLY HAx H 1 4.03 0.03 A 52 GLY HAy H 1 4.03 0.03 A 52 GLY C C 13 174.17 0.20 A 52 GLY CA C 13 44.68 0.20 A 52 GLY N N 15 114.32 0.20 A 53 THR H H 1 7.91 0.03 A 53 THR HA H 1 4.66 0.03 A 53 THR HB H 1 4.04 0.03 A 53 THR HG2% H 1 1.30 0.03 A 53 THR C C 13 173.51 0.20 A 53 THR CA C 13 64.58 0.20 A 53 THR CB C 13 70.07 0.20 A 53 THR CG2 C 13 21.42 0.20 A 53 THR N N 15 118.90 0.20 A 54 ILE H H 1 8.55 0.03 A 54 ILE HA H 1 5.31 0.03 A 54 ILE HB H 1 1.78 0.03 A 54 ILE HD1% H 1 0.93 0.03 A 54 ILE HG1x H 1 1.23 0.03 A 54 ILE HG1y H 1 1.23 0.03 A 54 ILE HG2% H 1 0.87 0.03 A 54 ILE C C 13 175.26 0.20 A 54 ILE CA C 13 59.87 0.20 A 54 ILE CB C 13 39.45 0.20 A 54 ILE CD1 C 13 12.47 0.20 A 54 ILE CG1 C 13 27.44 0.20 A 54 ILE CG2 C 13 17.60 0.20 A 54 ILE N N 15 124.83 0.20 A 55 LYS H H 1 9.40 0.03 A 55 LYS HA H 1 5.30 0.03 A 55 LYS HBx H 1 1.82 0.03 A 55 LYS HBy H 1 1.82 0.03 A 55 LYS HDx H 1 1.53 0.03 A 55 LYS HDy H 1 1.60 0.03 A 55 LYS HEx H 1 2.92 0.03 A 55 LYS HEy H 1 2.92 0.03 A 55 LYS C C 13 173.95 0.20 A 55 LYS CA C 13 53.83 0.20 A 55 LYS CB C 13 36.73 0.20 A 55 LYS CD C 13 29.61 0.20 A 55 LYS CE C 13 41.18 0.20 A 55 LYS CG C 13 25.08 0.20 A 55 LYS N N 15 126.97 0.20 A 56 LYS H H 1 9.36 0.03 A 56 LYS HA H 1 5.28 0.03 A 56 LYS HBy H 1 1.91 0.03 A 56 LYS HBx H 1 1.83 0.03 A 56 LYS HDx H 1 1.66 0.03 A 56 LYS HDy H 1 1.66 0.03 A 56 LYS HEx H 1 2.91 0.03 A 56 LYS HEy H 1 2.91 0.03 A 56 LYS HGx H 1 1.45 0.03 A 56 LYS HGy H 1 1.45 0.03 A 56 LYS C C 13 175.23 0.20 A 56 LYS CA C 13 54.79 0.20 A 56 LYS CB C 13 36.06 0.20 A 56 LYS CD C 13 29.61 0.20 A 56 LYS CE C 13 41.81 0.20 A 56 LYS CG C 13 24.93 0.20 A 56 LYS N N 15 124.22 0.20 A 57 ILE H H 1 9.24 0.03 A 57 ILE HA H 1 4.64 0.03 A 57 ILE HB H 1 1.57 0.03 A 57 ILE HD1% H 1 0.42 0.03 A 57 ILE HG1x H 1 1.19 0.03 A 57 ILE HG1y H 1 1.48 0.03 A 57 ILE HG2% H 1 0.79 0.03 A 57 ILE C C 13 174.84 0.20 A 57 ILE CA C 13 60.48 0.20 A 57 ILE CB C 13 39.27 0.20 A 57 ILE CD1 C 13 13.20 0.20 A 57 ILE CG1 C 13 27.70 0.20 A 57 ILE CG2 C 13 18.00 0.20 A 57 ILE N N 15 132.38 0.20 A 58 THR H H 1 8.72 0.03 A 58 THR HA H 1 5.18 0.03 A 58 THR HB H 1 4.17 0.03 A 58 THR HG2% H 1 1.34 0.03 A 58 THR C C 13 174.26 0.20 A 58 THR CA C 13 61.72 0.20 A 58 THR CB C 13 70.64 0.20 A 58 THR CG2 C 13 21.96 0.20 A 58 THR N N 15 122.31 0.20 A 59 PHE H H 1 8.57 0.03 A 59 PHE HA H 1 5.02 0.03 A 59 PHE HBx H 1 2.95 0.03 A 59 PHE HBy H 1 2.95 0.03 A 59 PHE HD1 H 1 7.18 0.03 A 59 PHE HD2 H 1 7.18 0.03 A 59 PHE C C 13 174.51 0.20 A 59 PHE CA C 13 56.45 0.20 A 59 PHE CB C 13 41.01 0.20 A 59 PHE N N 15 124.57 0.20 A 60 GLY H H 1 7.80 0.03 A 60 GLY HAy H 1 4.13 0.03 A 60 GLY HAx H 1 4.04 0.03 A 60 GLY C C 13 173.50 0.20 A 60 GLY CA C 13 44.83 0.20 A 60 GLY N N 15 104.60 0.20 A 61 GLU H H 1 8.29 0.03 A 61 GLU HA H 1 4.11 0.03 A 61 GLU HBx H 1 1.98 0.03 A 61 GLU HBy H 1 1.98 0.03 A 61 GLU HGx H 1 2.23 0.03 A 61 GLU HGy H 1 2.23 0.03 A 61 GLU CA C 13 56.80 0.20 A 61 GLU CB C 13 30.94 0.20 A 61 GLU CG C 13 36.47 0.20 A 61 GLU N N 15 119.40 0.20 A 62 GLY H H 1 8.87 0.03 A 62 GLY HAx H 1 3.96 0.03 A 62 GLY HAy H 1 3.96 0.03 A 62 GLY CA C 13 46.20 0.20 A 62 GLY N N 15 110.94 0.20 A 66 GLY HAy H 1 4.12 0.03 A 66 GLY HAx H 1 3.85 0.03 A 66 GLY C C 13 176.93 0.20 A 66 GLY CA C 13 45.08 0.20 A 67 TYR H H 1 8.11 0.03 A 67 TYR HA H 1 5.58 0.03 A 67 TYR HBx H 1 2.82 0.03 A 67 TYR HBy H 1 2.93 0.03 A 67 TYR HD1 H 1 6.84 0.03 A 67 TYR HD2 H 1 6.84 0.03 A 67 TYR C C 13 175.47 0.20 A 67 TYR CA C 13 55.92 0.20 A 67 TYR CB C 13 41.72 0.20 A 67 TYR N N 15 115.49 0.20 A 68 VAL H H 1 8.84 0.03 A 68 VAL HA H 1 5.02 0.03 A 68 VAL HB H 1 2.29 0.03 A 68 VAL HGx% H 1 1.24 0.03 A 68 VAL HGy% H 1 0.80 0.03 A 68 VAL C C 13 175.48 0.20 A 68 VAL CA C 13 59.50 0.20 A 68 VAL CB C 13 36.46 0.20 A 68 VAL CGy C 13 23.74 0.20 A 68 VAL CGx C 13 18.89 0.20 A 68 VAL N N 15 111.98 0.20 A 69 LYS H H 1 8.59 0.03 A 69 LYS HA H 1 5.70 0.03 A 69 LYS HDx H 1 1.66 0.03 A 69 LYS HDy H 1 1.66 0.03 A 69 LYS HEx H 1 3.00 0.03 A 69 LYS HEy H 1 3.00 0.03 A 69 LYS HGx H 1 1.25 0.03 A 69 LYS HGy H 1 1.25 0.03 A 69 LYS C C 13 175.74 0.20 A 69 LYS CA C 13 55.37 0.20 A 69 LYS CB C 13 36.58 0.20 A 69 LYS CD C 13 29.54 0.20 A 69 LYS CE C 13 41.90 0.20 A 69 LYS CG C 13 24.90 0.20 A 69 LYS N N 15 118.43 0.20 A 70 HIS H H 1 9.16 0.03 A 70 HIS HA H 1 6.19 0.03 A 70 HIS HBx H 1 2.84 0.03 A 70 HIS HBy H 1 2.84 0.03 A 70 HIS C C 13 174.59 0.20 A 70 HIS CA C 13 51.84 0.20 A 70 HIS CB C 13 36.01 0.20 A 70 HIS N N 15 122.59 0.20 A 71 LYS H H 1 9.46 0.03 A 71 LYS HA H 1 5.49 0.03 A 71 LYS HBy H 1 1.92 0.03 A 71 LYS HBx H 1 1.80 0.03 A 71 LYS HDx H 1 1.66 0.03 A 71 LYS HDy H 1 1.66 0.03 A 71 LYS HEy H 1 3.00 0.03 A 71 LYS HEx H 1 2.95 0.03 A 71 LYS C C 13 175.50 0.20 A 71 LYS CA C 13 54.04 0.20 A 71 LYS CB C 13 35.87 0.20 A 71 LYS CD C 13 29.63 0.20 A 71 LYS CE C 13 42.00 0.20 A 71 LYS CG C 13 24.87 0.20 A 71 LYS N N 15 122.76 0.20 A 72 ILE H H 1 9.32 0.03 A 72 ILE HA H 1 3.88 0.03 A 72 ILE HB H 1 2.05 0.03 A 72 ILE HD1% H 1 0.88 0.03 A 72 ILE HG1x H 1 1.50 0.03 A 72 ILE HG1y H 1 1.50 0.03 A 72 ILE HG2% H 1 1.00 0.03 A 72 ILE C C 13 175.43 0.20 A 72 ILE CA C 13 62.40 0.20 A 72 ILE CB C 13 38.04 0.20 A 72 ILE CD1 C 13 12.69 0.20 A 72 ILE CG1 C 13 28.06 0.20 A 72 ILE CG2 C 13 17.59 0.20 A 72 ILE N N 15 127.87 0.20 A 73 HIS H H 1 9.08 0.03 A 73 HIS HA H 1 5.12 0.03 A 73 HIS HBx H 1 3.05 0.03 A 73 HIS HBy H 1 3.05 0.03 A 73 HIS HD2 H 1 6.80 0.03 A 73 HIS C C 13 176.24 0.20 A 73 HIS CA C 13 56.97 0.20 A 73 HIS CB C 13 31.94 0.20 A 73 HIS CD2 C 13 118.96 0.20 A 73 HIS N N 15 127.69 0.20 A 74 SER H H 1 8.18 0.03 A 74 SER HA H 1 4.76 0.03 A 74 SER HBx H 1 3.88 0.03 A 74 SER HBy H 1 3.88 0.03 A 74 SER C C 13 172.62 0.20 A 74 SER CA C 13 57.88 0.20 A 74 SER CB C 13 66.79 0.20 A 74 SER N N 15 110.90 0.20 A 75 ILE H H 1 8.73 0.03 A 75 ILE HA H 1 4.68 0.03 A 75 ILE HB H 1 1.97 0.03 A 75 ILE HD1% H 1 0.97 0.03 A 75 ILE HG1y H 1 1.72 0.03 A 75 ILE HG1x H 1 1.20 0.03 A 75 ILE HG2% H 1 1.03 0.03 A 75 ILE C C 13 174.01 0.20 A 75 ILE CA C 13 62.14 0.20 A 75 ILE CB C 13 41.31 0.20 A 75 ILE CD1 C 13 14.20 0.20 A 75 ILE CG1 C 13 28.40 0.20 A 75 ILE CG2 C 13 18.31 0.20 A 75 ILE N N 15 123.78 0.20 A 76 ASP H H 1 9.11 0.03 A 76 ASP HA H 1 5.08 0.03 A 76 ASP HBx H 1 2.48 0.03 A 76 ASP HBy H 1 3.33 0.03 A 76 ASP C C 13 176.68 0.20 A 76 ASP CA C 13 52.13 0.20 A 76 ASP CB C 13 41.55 0.20 A 76 ASP N N 15 127.28 0.20 A 77 LYS H H 1 8.89 0.03 A 77 LYS HA H 1 3.98 0.03 A 77 LYS HBy H 1 1.93 0.03 A 77 LYS HBx H 1 1.80 0.03 A 77 LYS HDx H 1 1.60 0.03 A 77 LYS HDy H 1 1.60 0.03 A 77 LYS HEx H 1 3.07 0.03 A 77 LYS HEy H 1 3.07 0.03 A 77 LYS HGx H 1 1.17 0.03 A 77 LYS HGy H 1 1.17 0.03 A 77 LYS C C 13 175.98 0.20 A 77 LYS CA C 13 57.42 0.20 A 77 LYS CB C 13 32.78 0.20 A 77 LYS CD C 13 29.82 0.20 A 77 LYS CE C 13 42.18 0.20 A 77 LYS CG C 13 26.06 0.20 A 77 LYS N N 15 122.40 0.20 A 78 VAL H H 1 8.11 0.03 A 78 VAL HA H 1 3.66 0.03 A 78 VAL HB H 1 2.00 0.03 A 78 VAL HGx% H 1 0.78 0.03 A 78 VAL HGy% H 1 0.94 0.03 A 78 VAL C C 13 176.29 0.20 A 78 VAL CA C 13 64.42 0.20 A 78 VAL CB C 13 32.10 0.20 A 78 VAL CGx C 13 20.74 0.20 A 78 VAL CGy C 13 20.74 0.20 A 78 VAL N N 15 119.30 0.20 A 79 ASN H H 1 7.70 0.03 A 79 ASN HA H 1 4.48 0.03 A 79 ASN HBy H 1 2.70 0.03 A 79 ASN HBx H 1 2.32 0.03 A 79 ASN HD21 H 1 8.70 0.03 A 79 ASN HD22 H 1 7.00 0.03 A 79 ASN C C 13 173.67 0.20 A 79 ASN CA C 13 52.54 0.20 A 79 ASN CB C 13 39.09 0.20 A 79 ASN N N 15 114.40 0.20 A 79 ASN ND2 N 15 117.93 0.20 A 80 HIS H H 1 6.98 0.03 A 80 HIS HD2 H 1 6.00 0.03 A 80 HIS C C 13 173.45 0.20 A 80 HIS CA C 13 56.53 0.20 A 80 HIS CB C 13 27.20 0.20 A 80 HIS CD2 C 13 120.45 0.20 A 80 HIS N N 15 115.53 0.20 A 81 THR H H 1 7.99 0.03 A 81 THR HA H 1 5.73 0.03 A 81 THR HB H 1 4.24 0.03 A 81 THR HG2% H 1 1.20 0.03 A 81 THR C C 13 172.98 0.20 A 81 THR CA C 13 60.19 0.20 A 81 THR CB C 13 71.74 0.20 A 81 THR CG2 C 13 21.59 0.20 A 81 THR N N 15 109.60 0.20 A 82 TYR H H 1 9.30 0.03 A 82 TYR HA H 1 5.70 0.03 A 82 TYR HBy H 1 3.29 0.03 A 82 TYR HBx H 1 3.00 0.03 A 82 TYR HD1 H 1 7.19 0.03 A 82 TYR HD2 H 1 7.19 0.03 A 82 TYR HE1 H 1 6.46 0.03 A 82 TYR HE2 H 1 6.46 0.03 A 82 TYR C C 13 173.60 0.20 A 82 TYR CA C 13 55.33 0.20 A 82 TYR CB C 13 42.81 0.20 A 82 TYR N N 15 125.00 0.20 A 83 SER H H 1 9.09 0.03 A 83 SER HA H 1 5.67 0.03 A 83 SER HBx H 1 3.85 0.03 A 83 SER HBy H 1 3.85 0.03 A 83 SER C C 13 173.49 0.20 A 83 SER CA C 13 56.42 0.20 A 83 SER CB C 13 65.52 0.20 A 83 SER N N 15 121.82 0.20 A 84 TYR H H 1 8.79 0.03 A 84 TYR HA H 1 5.23 0.03 A 84 TYR HBy H 1 2.75 0.03 A 84 TYR HBx H 1 2.63 0.03 A 84 TYR HD1 H 1 5.88 0.03 A 84 TYR HD2 H 1 5.88 0.03 A 84 TYR HE1 H 1 5.83 0.03 A 84 TYR HE2 H 1 5.83 0.03 A 84 TYR C C 13 172.53 0.20 A 84 TYR CA C 13 56.42 0.20 A 84 TYR CB C 13 40.95 0.20 A 84 TYR N N 15 122.97 0.20 A 85 SER H H 1 9.35 0.03 A 85 SER HA H 1 5.70 0.03 A 85 SER HBx H 1 3.54 0.03 A 85 SER HBy H 1 3.54 0.03 A 85 SER C C 13 173.18 0.20 A 85 SER CA C 13 57.51 0.20 A 85 SER CB C 13 65.94 0.20 A 85 SER N N 15 114.20 0.20 A 86 LEU H H 1 9.90 0.03 A 86 LEU HA H 1 5.23 0.03 A 86 LEU HBx H 1 1.84 0.03 A 86 LEU HBy H 1 2.19 0.03 A 86 LEU HDx% H 1 1.34 0.03 A 86 LEU HDy% H 1 1.08 0.03 A 86 LEU C C 13 176.23 0.20 A 86 LEU CA C 13 55.59 0.20 A 86 LEU CB C 13 44.15 0.20 A 86 LEU CDx C 13 26.27 0.20 A 86 LEU CDy C 13 26.59 0.20 A 86 LEU CG C 13 28.60 0.20 A 86 LEU N N 15 128.88 0.20 A 87 ILE H H 1 8.18 0.03 A 87 ILE HA H 1 4.93 0.03 A 87 ILE HB H 1 2.29 0.03 A 87 ILE HD1% H 1 0.97 0.03 A 87 ILE HG2% H 1 0.97 0.03 A 87 ILE C C 13 176.08 0.20 A 87 ILE CA C 13 61.27 0.20 A 87 ILE CB C 13 39.83 0.20 A 87 ILE CD1 C 13 14.10 0.20 A 87 ILE CG1 C 13 26.40 0.20 A 87 ILE CG2 C 13 18.80 0.20 A 87 ILE N N 15 115.90 0.20 A 88 GLU H H 1 7.65 0.03 A 88 GLU HA H 1 4.51 0.03 A 88 GLU HGy H 1 2.56 0.03 A 88 GLU HGx H 1 2.33 0.03 A 88 GLU C C 13 174.02 0.20 A 88 GLU CA C 13 57.04 0.20 A 88 GLU CB C 13 34.97 0.20 A 88 GLU CG C 13 37.38 0.20 A 88 GLU N N 15 121.92 0.20 A 89 GLY H H 1 8.83 0.03 A 89 GLY HAx H 1 3.60 0.03 A 89 GLY HAy H 1 3.60 0.03 A 89 GLY C C 13 173.80 0.20 A 89 GLY CA C 13 44.95 0.20 A 89 GLY N N 15 111.65 0.20 A 90 ASP H H 1 8.43 0.03 A 90 ASP HA H 1 4.36 0.03 A 90 ASP HBy H 1 2.79 0.03 A 90 ASP HBx H 1 2.65 0.03 A 90 ASP C C 13 176.57 0.20 A 90 ASP CA C 13 57.04 0.20 A 90 ASP CB C 13 41.28 0.20 A 90 ASP N N 15 119.65 0.20 A 91 ALA H H 1 7.81 0.03 A 91 ALA HA H 1 4.24 0.03 A 91 ALA HB% H 1 1.39 0.03 A 91 ALA C C 13 177.74 0.20 A 91 ALA CA C 13 53.21 0.20 A 91 ALA CB C 13 19.31 0.20 A 91 ALA N N 15 118.53 0.20 A 92 LEU H H 1 7.60 0.03 A 92 LEU HA H 1 4.46 0.03 A 92 LEU HBx H 1 1.78 0.03 A 92 LEU HBy H 1 1.93 0.03 A 92 LEU HDx% H 1 0.81 0.03 A 92 LEU HDy% H 1 0.67 0.03 A 92 LEU HG H 1 1.44 0.03 A 92 LEU C C 13 176.21 0.20 A 92 LEU CA C 13 54.02 0.20 A 92 LEU CB C 13 40.21 0.20 A 92 LEU CDx C 13 23.14 0.20 A 92 LEU CDy C 13 23.14 0.20 A 92 LEU CG C 13 26.60 0.20 A 92 LEU N N 15 117.33 0.20 A 93 SER H H 1 7.91 0.03 A 93 SER HA H 1 4.62 0.03 A 93 SER HBy H 1 4.12 0.03 A 93 SER HBx H 1 3.96 0.03 A 93 SER C C 13 173.97 0.20 A 93 SER CA C 13 57.73 0.20 A 93 SER CB C 13 64.92 0.20 A 93 SER N N 15 115.78 0.20 A 94 GLU H H 1 8.85 0.03 A 94 GLU HA H 1 4.16 0.03 A 94 GLU HBx H 1 2.08 0.03 A 94 GLU HBy H 1 2.08 0.03 A 94 GLU HGx H 1 2.34 0.03 A 94 GLU HGy H 1 2.34 0.03 A 94 GLU C C 13 176.57 0.20 A 94 GLU CA C 13 58.70 0.20 A 94 GLU CB C 13 29.21 0.20 A 94 GLU CG C 13 36.04 0.20 A 94 GLU N N 15 119.40 0.20 A 95 ASN H H 1 8.29 0.03 A 95 ASN HA H 1 4.80 0.03 A 95 ASN HBy H 1 3.08 0.03 A 95 ASN HBx H 1 2.85 0.03 A 95 ASN HD21 H 1 6.99 0.03 A 95 ASN HD22 H 1 7.65 0.03 A 95 ASN C C 13 174.07 0.20 A 95 ASN CA C 13 54.12 0.20 A 95 ASN CB C 13 39.35 0.20 A 95 ASN N N 15 113.46 0.20 A 95 ASN ND2 N 15 112.54 0.20 A 96 ILE H H 1 7.77 0.03 A 96 ILE HA H 1 4.19 0.03 A 96 ILE HB H 1 1.85 0.03 A 96 ILE HD1% H 1 0.89 0.03 A 96 ILE HG1x H 1 1.19 0.03 A 96 ILE HG1y H 1 1.19 0.03 A 96 ILE HG2% H 1 0.89 0.03 A 96 ILE CA C 13 60.93 0.20 A 96 ILE CB C 13 38.87 0.20 A 96 ILE CD1 C 13 12.69 0.20 A 96 ILE CG1 C 13 27.33 0.20 A 96 ILE CG2 C 13 17.50 0.20 A 96 ILE N N 15 120.61 0.20 A 97 GLU H H 1 8.46 0.03 A 97 GLU HA H 1 4.79 0.03 A 97 GLU CA C 13 56.20 0.20 A 97 GLU CB C 13 32.95 0.20 A 97 GLU N N 15 126.67 0.20 A 98 LYS HA H 1 4.71 0.03 A 98 LYS HBy H 1 1.94 0.03 A 98 LYS HBx H 1 1.77 0.03 A 98 LYS HDx H 1 1.45 0.03 A 98 LYS HDy H 1 1.45 0.03 A 98 LYS HEx H 1 2.06 0.03 A 98 LYS HEy H 1 2.38 0.03 A 98 LYS HGx H 1 1.08 0.03 A 98 LYS HGy H 1 1.15 0.03 A 98 LYS C C 13 173.65 0.20 A 98 LYS CA C 13 55.97 0.20 A 98 LYS CB C 13 34.80 0.20 A 98 LYS CD C 13 29.67 0.20 A 98 LYS CE C 13 40.80 0.20 A 98 LYS CG C 13 23.74 0.20 A 99 ILE H H 1 7.72 0.03 A 99 ILE HA H 1 4.79 0.03 A 99 ILE HB H 1 1.35 0.03 A 99 ILE HD1% H 1 0.68 0.03 A 99 ILE HG1y H 1 1.29 0.03 A 99 ILE HG1x H 1 0.23 0.03 A 99 ILE HG2% H 1 -0.33 0.03 A 99 ILE C C 13 174.69 0.20 A 99 ILE CA C 13 60.30 0.20 A 99 ILE CB C 13 41.55 0.20 A 99 ILE CD1 C 13 14.80 0.20 A 99 ILE CG1 C 13 27.02 0.20 A 99 ILE CG2 C 13 16.60 0.20 A 99 ILE N N 15 120.29 0.20 A 100 ASP H H 1 9.22 0.03 A 100 ASP HA H 1 5.10 0.03 A 100 ASP HBy H 1 2.86 0.03 A 100 ASP HBx H 1 2.57 0.03 A 100 ASP C C 13 174.49 0.20 A 100 ASP CA C 13 52.63 0.20 A 100 ASP CB C 13 42.85 0.20 A 100 ASP N N 15 126.97 0.20 A 101 TYR H H 1 9.14 0.03 A 101 TYR HA H 1 5.28 0.03 A 101 TYR HBx H 1 1.35 0.03 A 101 TYR HBy H 1 2.31 0.03 A 101 TYR HD1 H 1 6.55 0.03 A 101 TYR HD2 H 1 6.55 0.03 A 101 TYR C C 13 175.74 0.20 A 101 TYR CA C 13 56.98 0.20 A 101 TYR CB C 13 41.64 0.20 A 101 TYR N N 15 120.64 0.20 A 102 GLU H H 1 8.67 0.03 A 102 GLU HA H 1 5.13 0.03 A 102 GLU HBx H 1 2.04 0.03 A 102 GLU HBy H 1 2.04 0.03 A 102 GLU HGx H 1 2.21 0.03 A 102 GLU HGy H 1 2.21 0.03 A 102 GLU C C 13 175.36 0.20 A 102 GLU CA C 13 55.87 0.20 A 102 GLU CB C 13 33.07 0.20 A 102 GLU CG C 13 37.04 0.20 A 102 GLU N N 15 122.04 0.20 A 103 THR H H 1 9.55 0.03 A 103 THR HA H 1 5.58 0.03 A 103 THR HB H 1 4.19 0.03 A 103 THR HG2% H 1 1.34 0.03 A 103 THR C C 13 172.78 0.20 A 103 THR CA C 13 62.15 0.20 A 103 THR CB C 13 71.75 0.20 A 103 THR CG2 C 13 22.24 0.20 A 103 THR N N 15 125.84 0.20 A 104 LYS H H 1 9.43 0.03 A 104 LYS HA H 1 5.24 0.03 A 104 LYS HBy H 1 1.92 0.03 A 104 LYS HBx H 1 1.82 0.03 A 104 LYS HDx H 1 1.66 0.03 A 104 LYS HDy H 1 1.66 0.03 A 104 LYS HEx H 1 2.91 0.03 A 104 LYS HEy H 1 2.91 0.03 A 104 LYS HGy H 1 1.44 0.03 A 104 LYS HGx H 1 1.35 0.03 A 104 LYS C C 13 174.30 0.20 A 104 LYS CA C 13 55.33 0.20 A 104 LYS CB C 13 35.94 0.20 A 104 LYS CD C 13 29.58 0.20 A 104 LYS CE C 13 42.13 0.20 A 104 LYS CG C 13 25.05 0.20 A 104 LYS N N 15 126.99 0.20 A 105 LEU H H 1 8.41 0.03 A 105 LEU HA H 1 5.21 0.03 A 105 LEU HBx H 1 1.65 0.03 A 105 LEU HBy H 1 1.65 0.03 A 105 LEU HDx% H 1 0.98 0.03 A 105 LEU HDy% H 1 1.12 0.03 A 105 LEU HG H 1 1.45 0.03 A 105 LEU C C 13 175.78 0.20 A 105 LEU CA C 13 54.62 0.20 A 105 LEU CB C 13 41.95 0.20 A 105 LEU CDx C 13 25.24 0.20 A 105 LEU CDy C 13 25.24 0.20 A 105 LEU CG C 13 29.17 0.20 A 105 LEU N N 15 124.70 0.20 A 106 VAL H H 1 9.18 0.03 A 106 VAL HA H 1 4.43 0.03 A 106 VAL HB H 1 2.20 0.03 A 106 VAL HGx% H 1 0.91 0.03 A 106 VAL HGy% H 1 0.98 0.03 A 106 VAL C C 13 175.56 0.20 A 106 VAL CA C 13 60.47 0.20 A 106 VAL CB C 13 35.02 0.20 A 106 VAL CGx C 13 20.88 0.20 A 106 VAL CGy C 13 20.88 0.20 A 106 VAL N N 15 123.29 0.20 A 107 SER H H 1 8.91 0.03 A 107 SER HA H 1 4.66 0.03 A 107 SER HBy H 1 3.98 0.03 A 107 SER HBx H 1 3.85 0.03 A 107 SER C C 13 173.60 0.20 A 107 SER CA C 13 59.86 0.20 A 107 SER CB C 13 63.25 0.20 A 107 SER N N 15 121.80 0.20 A 108 ALA H H 1 8.31 0.03 A 108 ALA HA H 1 4.63 0.03 A 108 ALA HB% H 1 1.15 0.03 A 108 ALA CA C 13 49.62 0.20 A 108 ALA CB C 13 18.80 0.20 A 108 ALA N N 15 129.21 0.20 A 109 PRO HA H 1 4.42 0.03 A 109 PRO HBx H 1 1.94 0.03 A 109 PRO HBy H 1 1.94 0.03 A 109 PRO HDx H 1 3.72 0.03 A 109 PRO HDy H 1 3.82 0.03 A 109 PRO HGx H 1 1.96 0.03 A 109 PRO HGy H 1 1.96 0.03 A 109 PRO CA C 13 63.70 0.20 A 109 PRO CB C 13 32.20 0.20 A 109 PRO CD C 13 50.82 0.20 A 109 PRO CG C 13 27.23 0.20 A 110 HIS HA H 1 4.77 0.03 A 110 HIS HBy H 1 3.34 0.03 A 110 HIS HBx H 1 3.19 0.03 A 110 HIS HD2 H 1 7.07 0.03 A 110 HIS C C 13 175.76 0.20 A 110 HIS CA C 13 55.39 0.20 A 110 HIS CB C 13 29.41 0.20 A 110 HIS CD2 C 13 119.71 0.20 A 111 GLY H H 1 7.73 0.03 A 111 GLY HAy H 1 4.52 0.03 A 111 GLY HAx H 1 3.73 0.03 A 111 GLY C C 13 174.39 0.20 A 111 GLY CA C 13 45.13 0.20 A 111 GLY N N 15 108.72 0.20 A 112 GLY H H 1 7.60 0.03 A 112 GLY HAx H 1 3.92 0.03 A 112 GLY HAy H 1 4.09 0.03 A 112 GLY C C 13 174.15 0.20 A 112 GLY CA C 13 44.42 0.20 A 112 GLY N N 15 107.67 0.20 A 113 THR H H 1 9.07 0.03 A 113 THR HA H 1 5.06 0.03 A 113 THR HB H 1 3.57 0.03 A 113 THR HG2% H 1 1.05 0.03 A 113 THR C C 13 173.25 0.20 A 113 THR CA C 13 62.99 0.20 A 113 THR CB C 13 72.27 0.20 A 113 THR CG2 C 13 23.76 0.20 A 113 THR N N 15 119.83 0.20 A 114 ILE H H 1 9.49 0.03 A 114 ILE HA H 1 4.51 0.03 A 114 ILE HB H 1 1.71 0.03 A 114 ILE HD1% H 1 0.81 0.03 A 114 ILE HG1x H 1 1.08 0.03 A 114 ILE HG1y H 1 1.08 0.03 A 114 ILE HG2% H 1 0.86 0.03 A 114 ILE C C 13 174.37 0.20 A 114 ILE CA C 13 61.16 0.20 A 114 ILE CB C 13 39.97 0.20 A 114 ILE CD1 C 13 13.18 0.20 A 114 ILE CG1 C 13 27.81 0.20 A 114 ILE CG2 C 13 18.05 0.20 A 114 ILE N N 15 127.60 0.20 A 115 ILE H H 1 9.22 0.03 A 115 ILE HA H 1 4.50 0.03 A 115 ILE HB H 1 1.19 0.03 A 115 ILE HD1% H 1 0.14 0.03 A 115 ILE HG1y H 1 1.13 0.03 A 115 ILE HG1x H 1 0.54 0.03 A 115 ILE HG2% H 1 0.53 0.03 A 115 ILE C C 13 175.00 0.20 A 115 ILE CA C 13 61.40 0.20 A 115 ILE CB C 13 38.00 0.20 A 115 ILE CD1 C 13 15.50 0.20 A 115 ILE CG1 C 13 29.40 0.20 A 115 ILE CG2 C 13 19.80 0.20 A 115 ILE N N 15 129.20 0.20 A 116 LYS H H 1 9.13 0.03 A 116 LYS HA H 1 5.17 0.03 A 116 LYS HBx H 1 1.83 0.03 A 116 LYS HBy H 1 1.90 0.03 A 116 LYS HDx H 1 1.65 0.03 A 116 LYS HDy H 1 1.65 0.03 A 116 LYS HEx H 1 2.91 0.03 A 116 LYS HEy H 1 2.91 0.03 A 116 LYS HGy H 1 1.44 0.03 A 116 LYS HGx H 1 1.37 0.03 A 116 LYS C C 13 176.30 0.20 A 116 LYS CA C 13 55.37 0.20 A 116 LYS CB C 13 34.58 0.20 A 116 LYS CD C 13 29.58 0.20 A 116 LYS CE C 13 41.96 0.20 A 116 LYS CG C 13 25.29 0.20 A 116 LYS N N 15 127.55 0.20 A 117 THR H H 1 9.02 0.03 A 117 THR HA H 1 5.73 0.03 A 117 THR HB H 1 4.15 0.03 A 117 THR HG2% H 1 1.37 0.03 A 117 THR C C 13 174.62 0.20 A 117 THR CA C 13 60.99 0.20 A 117 THR CB C 13 71.75 0.20 A 117 THR CG2 C 13 22.55 0.20 A 117 THR N N 15 120.94 0.20 A 118 THR H H 1 9.50 0.03 A 118 THR HA H 1 5.17 0.03 A 118 THR HB H 1 4.07 0.03 A 118 THR HG2% H 1 1.19 0.03 A 118 THR C C 13 173.76 0.20 A 118 THR CA C 13 61.80 0.20 A 118 THR CB C 13 70.72 0.20 A 118 THR CG2 C 13 21.80 0.20 A 118 THR N N 15 125.75 0.20 A 119 SER H H 1 9.41 0.03 A 119 SER HA H 1 5.27 0.03 A 119 SER HBy H 1 3.60 0.03 A 119 SER HBx H 1 3.57 0.03 A 119 SER C C 13 172.96 0.20 A 119 SER CA C 13 55.86 0.20 A 119 SER CB C 13 66.72 0.20 A 119 SER N N 15 122.25 0.20 A 120 LYS H H 1 9.15 0.03 A 120 LYS HA H 1 5.24 0.03 A 120 LYS HBy H 1 1.90 0.03 A 120 LYS HBx H 1 1.83 0.03 A 120 LYS HDx H 1 1.65 0.03 A 120 LYS HDy H 1 1.65 0.03 A 120 LYS HEx H 1 2.91 0.03 A 120 LYS HEy H 1 2.91 0.03 A 120 LYS HGx H 1 1.44 0.03 A 120 LYS HGy H 1 1.44 0.03 A 120 LYS C C 13 174.78 0.20 A 120 LYS CA C 13 54.83 0.20 A 120 LYS CB C 13 36.16 0.20 A 120 LYS CD C 13 29.62 0.20 A 120 LYS CE C 13 41.76 0.20 A 120 LYS CG C 13 24.79 0.20 A 120 LYS N N 15 124.12 0.20 A 121 TYR H H 1 9.80 0.03 A 121 TYR HBx H 1 2.62 0.03 A 121 TYR HBy H 1 3.44 0.03 A 121 TYR HD1 H 1 7.13 0.03 A 121 TYR HD2 H 1 7.13 0.03 A 121 TYR CA C 13 58.00 0.20 A 121 TYR CB C 13 40.20 0.20 A 121 TYR N N 15 126.50 0.20 A 122 HIS C C 13 174.67 0.20 A 123 THR H H 1 8.92 0.03 A 123 THR HA H 1 5.40 0.03 A 123 THR HB H 1 4.43 0.03 A 123 THR HG2% H 1 1.25 0.03 A 123 THR C C 13 174.46 0.20 A 123 THR CA C 13 60.23 0.20 A 123 THR CB C 13 71.26 0.20 A 123 THR CG2 C 13 21.72 0.20 A 123 THR N N 15 125.75 0.20 A 124 LYS H H 1 8.59 0.03 A 124 LYS HA H 1 4.76 0.03 A 124 LYS HBx H 1 1.93 0.03 A 124 LYS HBy H 1 1.93 0.03 A 124 LYS HDx H 1 1.77 0.03 A 124 LYS HDy H 1 1.77 0.03 A 124 LYS HEx H 1 2.99 0.03 A 124 LYS HEy H 1 2.99 0.03 A 124 LYS HGx H 1 1.43 0.03 A 124 LYS HGy H 1 1.43 0.03 A 124 LYS C C 13 176.45 0.20 A 124 LYS CA C 13 55.51 0.20 A 124 LYS CB C 13 33.90 0.20 A 124 LYS CD C 13 29.85 0.20 A 124 LYS CE C 13 42.22 0.20 A 124 LYS CG C 13 25.03 0.20 A 124 LYS N N 15 121.17 0.20 A 125 GLY H H 1 8.39 0.03 A 125 GLY HAy H 1 4.13 0.03 A 125 GLY HAx H 1 3.91 0.03 A 125 GLY C C 13 173.62 0.20 A 125 GLY CA C 13 45.27 0.20 A 125 GLY N N 15 110.07 0.20 A 126 ASP H H 1 8.44 0.03 A 126 ASP HA H 1 4.67 0.03 A 126 ASP HBy H 1 2.76 0.03 A 126 ASP HBx H 1 2.62 0.03 A 126 ASP C C 13 175.58 0.20 A 126 ASP CA C 13 54.29 0.20 A 126 ASP CB C 13 40.36 0.20 A 126 ASP N N 15 120.07 0.20 A 127 VAL H H 1 7.62 0.03 A 127 VAL HA H 1 4.24 0.03 A 127 VAL HB H 1 2.01 0.03 A 127 VAL HGx% H 1 0.89 0.03 A 127 VAL HGy% H 1 0.89 0.03 A 127 VAL C C 13 174.61 0.20 A 127 VAL CA C 13 61.23 0.20 A 127 VAL CB C 13 34.25 0.20 A 127 VAL CGx C 13 20.75 0.20 A 127 VAL CGy C 13 20.75 0.20 A 127 VAL N N 15 119.62 0.20 A 128 GLU H H 1 8.33 0.03 A 128 GLU HA H 1 4.13 0.03 A 128 GLU HBy H 1 2.08 0.03 A 128 GLU HBx H 1 1.88 0.03 A 128 GLU HGx H 1 2.20 0.03 A 128 GLU HGy H 1 2.20 0.03 A 128 GLU C C 13 175.68 0.20 A 128 GLU CA C 13 55.54 0.20 A 128 GLU CB C 13 30.79 0.20 A 128 GLU CG C 13 36.16 0.20 A 128 GLU N N 15 125.03 0.20 A 129 ILE H H 1 7.38 0.03 A 129 ILE HA H 1 3.96 0.03 A 129 ILE HB H 1 1.44 0.03 A 129 ILE HD1% H 1 0.41 0.03 A 129 ILE HG1x H 1 0.92 0.03 A 129 ILE HG1y H 1 0.92 0.03 A 129 ILE HG2% H 1 0.31 0.03 A 129 ILE C C 13 175.96 0.20 A 129 ILE CA C 13 59.35 0.20 A 129 ILE CB C 13 36.68 0.20 A 129 ILE CD1 C 13 11.50 0.20 A 129 ILE CG1 C 13 26.83 0.20 A 129 ILE CG2 C 13 16.87 0.20 A 129 ILE N N 15 124.07 0.20 A 130 LYS H H 1 8.79 0.03 A 130 LYS HA H 1 4.28 0.03 A 130 LYS C C 13 177.66 0.20 A 130 LYS CA C 13 55.85 0.20 A 130 LYS CB C 13 32.81 0.20 A 130 LYS CD C 13 28.94 0.20 A 130 LYS CE C 13 42.18 0.20 A 130 LYS CG C 13 24.87 0.20 A 130 LYS N N 15 127.80 0.20 A 131 GLU H H 1 8.88 0.03 A 131 GLU HA H 1 3.81 0.03 A 131 GLU HBx H 1 1.98 0.03 A 131 GLU HBy H 1 1.98 0.03 A 131 GLU HGy H 1 2.31 0.03 A 131 GLU HGx H 1 2.26 0.03 A 131 GLU C C 13 178.63 0.20 A 131 GLU CA C 13 59.51 0.20 A 131 GLU CB C 13 29.30 0.20 A 131 GLU CG C 13 36.18 0.20 A 131 GLU N N 15 125.06 0.20 A 132 GLU H H 1 9.20 0.03 A 132 GLU HA H 1 3.98 0.03 A 132 GLU HBx H 1 1.95 0.03 A 132 GLU HBy H 1 1.95 0.03 A 132 GLU HGx H 1 2.18 0.03 A 132 GLU HGy H 1 2.18 0.03 A 132 GLU C C 13 178.63 0.20 A 132 GLU CA C 13 59.61 0.20 A 132 GLU CB C 13 28.98 0.20 A 132 GLU CG C 13 36.00 0.20 A 132 GLU N N 15 117.22 0.20 A 133 HIS H H 1 7.50 0.03 A 133 HIS HA H 1 4.47 0.03 A 133 HIS HBx H 1 3.19 0.03 A 133 HIS HBy H 1 3.19 0.03 A 133 HIS C C 13 178.43 0.20 A 133 HIS CA C 13 59.13 0.20 A 133 HIS CB C 13 31.32 0.20 A 133 HIS N N 15 119.81 0.20 A 134 VAL H H 1 7.29 0.03 A 134 VAL HA H 1 3.65 0.03 A 134 VAL HB H 1 1.90 0.03 A 134 VAL HGx% H 1 0.49 0.03 A 134 VAL HGy% H 1 0.27 0.03 A 134 VAL C C 13 179.17 0.20 A 134 VAL CA C 13 65.18 0.20 A 134 VAL CB C 13 31.71 0.20 A 134 VAL CGx C 13 20.71 0.20 A 134 VAL CGy C 13 20.71 0.20 A 134 VAL N N 15 120.37 0.20 A 135 LYS H H 1 8.31 0.03 A 135 LYS HA H 1 3.96 0.03 A 135 LYS HBx H 1 1.89 0.03 A 135 LYS HBy H 1 1.89 0.03 A 135 LYS HDx H 1 1.68 0.03 A 135 LYS HDy H 1 1.68 0.03 A 135 LYS HEx H 1 2.97 0.03 A 135 LYS HEy H 1 2.97 0.03 A 135 LYS HGx H 1 1.40 0.03 A 135 LYS HGy H 1 1.40 0.03 A 135 LYS C C 13 178.31 0.20 A 135 LYS CA C 13 59.33 0.20 A 135 LYS CB C 13 32.18 0.20 A 135 LYS CD C 13 29.50 0.20 A 135 LYS CE C 13 42.13 0.20 A 135 LYS CG C 13 25.67 0.20 A 135 LYS N N 15 121.31 0.20 A 136 ALA H H 1 7.95 0.03 A 136 ALA HA H 1 4.23 0.03 A 136 ALA HB% H 1 1.50 0.03 A 136 ALA C C 13 180.93 0.20 A 136 ALA CA C 13 55.02 0.20 A 136 ALA CB C 13 17.75 0.20 A 136 ALA N N 15 121.15 0.20 A 137 GLY H H 1 7.93 0.03 A 137 GLY HAx H 1 3.80 0.03 A 137 GLY HAy H 1 3.91 0.03 A 137 GLY C C 13 177.00 0.20 A 137 GLY CA C 13 47.16 0.20 A 137 GLY N N 15 105.64 0.20 A 138 LYS H H 1 7.96 0.03 A 138 LYS HA H 1 4.23 0.03 A 138 LYS HBx H 1 1.87 0.03 A 138 LYS HBy H 1 2.05 0.03 A 138 LYS HEx H 1 2.96 0.03 A 138 LYS HEy H 1 2.96 0.03 A 138 LYS C C 13 178.86 0.20 A 138 LYS CA C 13 59.79 0.20 A 138 LYS CB C 13 32.67 0.20 A 138 LYS CD C 13 29.50 0.20 A 138 LYS CE C 13 42.04 0.20 A 138 LYS CG C 13 25.90 0.20 A 138 LYS N N 15 124.21 0.20 A 139 GLU H H 1 8.37 0.03 A 139 GLU HA H 1 4.14 0.03 A 139 GLU HBx H 1 2.10 0.03 A 139 GLU HBy H 1 2.10 0.03 A 139 GLU HGx H 1 2.30 0.03 A 139 GLU HGy H 1 2.30 0.03 A 139 GLU C C 13 179.71 0.20 A 139 GLU CA C 13 59.18 0.20 A 139 GLU CB C 13 29.30 0.20 A 139 GLU CG C 13 36.15 0.20 A 139 GLU N N 15 119.72 0.20 A 140 LYS H H 1 8.14 0.03 A 140 LYS HA H 1 4.11 0.03 A 140 LYS HBx H 1 1.89 0.03 A 140 LYS HBy H 1 1.89 0.03 A 140 LYS C C 13 179.21 0.20 A 140 LYS CA C 13 59.61 0.20 A 140 LYS CB C 13 32.38 0.20 A 140 LYS CD C 13 29.98 0.20 A 140 LYS CE C 13 42.15 0.20 A 140 LYS CG C 13 25.23 0.20 A 140 LYS N N 15 120.27 0.20 A 141 ALA H H 1 7.73 0.03 A 141 ALA HA H 1 4.04 0.03 A 141 ALA HB% H 1 1.48 0.03 A 141 ALA C C 13 179.53 0.20 A 141 ALA CA C 13 55.02 0.20 A 141 ALA CB C 13 18.38 0.20 A 141 ALA N N 15 121.91 0.20 A 142 ALA H H 1 8.28 0.03 A 142 ALA HA H 1 3.88 0.03 A 142 ALA HB% H 1 1.53 0.03 A 142 ALA C C 13 180.08 0.20 A 142 ALA CA C 13 54.90 0.20 A 142 ALA CB C 13 18.23 0.20 A 142 ALA N N 15 120.44 0.20 A 143 HIS H H 1 8.03 0.03 A 143 HIS HA H 1 4.35 0.03 A 143 HIS HBx H 1 3.24 0.03 A 143 HIS HBy H 1 3.24 0.03 A 143 HIS C C 13 177.35 0.20 A 143 HIS CA C 13 59.43 0.20 A 143 HIS CB C 13 30.75 0.20 A 143 HIS N N 15 118.28 0.20 A 144 LEU H H 1 7.70 0.03 A 144 LEU HA H 1 3.91 0.03 A 144 LEU HBx H 1 1.60 0.03 A 144 LEU HBy H 1 1.60 0.03 A 144 LEU HDx% H 1 0.81 0.03 A 144 LEU HDy% H 1 0.86 0.03 A 144 LEU HG H 1 1.54 0.03 A 144 LEU C C 13 179.04 0.20 A 144 LEU CA C 13 58.08 0.20 A 144 LEU CB C 13 40.96 0.20 A 144 LEU CDx C 13 24.28 0.20 A 144 LEU CDy C 13 24.28 0.20 A 144 LEU CG C 13 26.31 0.20 A 144 LEU N N 15 118.82 0.20 A 145 PHE H H 1 8.10 0.03 A 145 PHE HA H 1 4.00 0.03 A 145 PHE HBy H 1 2.85 0.03 A 145 PHE HBx H 1 2.81 0.03 A 145 PHE HD1 H 1 6.60 0.03 A 145 PHE HD2 H 1 6.60 0.03 A 145 PHE HE1 H 1 6.21 0.03 A 145 PHE HE2 H 1 6.21 0.03 A 145 PHE HZ H 1 6.47 0.03 A 145 PHE C C 13 177.90 0.20 A 145 PHE CA C 13 62.15 0.20 A 145 PHE CB C 13 37.75 0.20 A 145 PHE N N 15 116.92 0.20 A 146 LYS H H 1 8.04 0.03 A 146 LYS HA H 1 4.13 0.03 A 146 LYS HBx H 1 1.87 0.03 A 146 LYS HBy H 1 2.06 0.03 A 146 LYS HDx H 1 1.73 0.03 A 146 LYS HDy H 1 1.73 0.03 A 146 LYS HEx H 1 3.03 0.03 A 146 LYS HEy H 1 3.03 0.03 A 146 LYS HGx H 1 1.56 0.03 A 146 LYS HGy H 1 1.56 0.03 A 146 LYS C C 13 177.75 0.20 A 146 LYS CA C 13 58.90 0.20 A 146 LYS CB C 13 32.28 0.20 A 146 LYS CD C 13 29.38 0.20 A 146 LYS CE C 13 42.20 0.20 A 146 LYS CG C 13 25.10 0.20 A 146 LYS N N 15 119.71 0.20 A 147 LEU H H 1 7.96 0.03 A 147 LEU HA H 1 4.00 0.03 A 147 LEU HBx H 1 1.30 0.03 A 147 LEU HBy H 1 1.30 0.03 A 147 LEU HDx% H 1 0.81 0.03 A 147 LEU HDy% H 1 0.81 0.03 A 147 LEU C C 13 180.46 0.20 A 147 LEU CA C 13 57.47 0.20 A 147 LEU CB C 13 42.40 0.20 A 147 LEU CDx C 13 22.47 0.20 A 147 LEU CDy C 13 22.47 0.20 A 147 LEU CG C 13 26.85 0.20 A 147 LEU N N 15 118.97 0.20 A 148 ILE H H 1 8.20 0.03 A 148 ILE HA H 1 3.54 0.03 A 148 ILE HB H 1 1.89 0.03 A 148 ILE HD1% H 1 0.76 0.03 A 148 ILE HG2% H 1 0.76 0.03 A 148 ILE C C 13 177.03 0.20 A 148 ILE CA C 13 65.40 0.20 A 148 ILE CB C 13 37.69 0.20 A 148 ILE CD1 C 13 13.77 0.20 A 148 ILE CG1 C 13 29.18 0.20 A 148 ILE CG2 C 13 17.08 0.20 A 148 ILE N N 15 121.41 0.20 A 149 GLU H H 1 8.68 0.03 A 149 GLU HA H 1 3.68 0.03 A 149 GLU HBx H 1 2.07 0.03 A 149 GLU HBy H 1 2.07 0.03 A 149 GLU HGy H 1 2.25 0.03 A 149 GLU HGx H 1 2.16 0.03 A 149 GLU C C 13 178.54 0.20 A 149 GLU CA C 13 60.32 0.20 A 149 GLU CB C 13 28.83 0.20 A 149 GLU CG C 13 36.74 0.20 A 149 GLU N N 15 120.45 0.20 A 150 GLY H H 1 8.18 0.03 A 150 GLY HAy H 1 3.94 0.03 A 150 GLY HAx H 1 3.90 0.03 A 150 GLY C C 13 175.67 0.20 A 150 GLY CA C 13 47.25 0.20 A 150 GLY N N 15 104.45 0.20 A 151 TYR H H 1 7.91 0.03 A 151 TYR HA H 1 4.38 0.03 A 151 TYR HBx H 1 3.05 0.03 A 151 TYR HBy H 1 3.23 0.03 A 151 TYR HD1 H 1 6.98 0.03 A 151 TYR HD2 H 1 6.98 0.03 A 151 TYR C C 13 179.36 0.20 A 151 TYR CA C 13 62.32 0.20 A 151 TYR CB C 13 36.39 0.20 A 151 TYR N N 15 122.12 0.20 A 152 LEU H H 1 8.63 0.03 A 152 LEU HA H 1 4.03 0.03 A 152 LEU HBx H 1 1.52 0.03 A 152 LEU HBy H 1 1.52 0.03 A 152 LEU HDx% H 1 0.98 0.03 A 152 LEU HDy% H 1 0.98 0.03 A 152 LEU HG H 1 0.76 0.03 A 152 LEU C C 13 180.32 0.20 A 152 LEU CA C 13 57.76 0.20 A 152 LEU CB C 13 41.00 0.20 A 152 LEU CDx C 13 23.00 0.20 A 152 LEU CDy C 13 23.00 0.20 A 152 LEU CG C 13 26.86 0.20 A 152 LEU N N 15 120.02 0.20 A 153 LYS H H 1 8.26 0.03 A 153 LYS HA H 1 3.97 0.03 A 153 LYS HBx H 1 1.92 0.03 A 153 LYS HBy H 1 1.92 0.03 A 153 LYS HEx H 1 2.97 0.03 A 153 LYS HEy H 1 2.97 0.03 A 153 LYS C C 13 178.15 0.20 A 153 LYS CA C 13 59.40 0.20 A 153 LYS CB C 13 32.35 0.20 A 153 LYS CD C 13 29.65 0.20 A 153 LYS CE C 13 41.01 0.20 A 153 LYS CG C 13 25.40 0.20 A 153 LYS N N 15 119.73 0.20 A 154 ASP H H 1 7.56 0.03 A 154 ASP HA H 1 4.00 0.03 A 154 ASP C C 13 175.66 0.20 A 154 ASP CA C 13 55.03 0.20 A 154 ASP N N 15 117.02 0.20 A 155 HIS H H 1 7.43 0.03 A 155 HIS HA H 1 4.90 0.03 A 155 HIS HBx H 1 2.60 0.03 A 155 HIS HBy H 1 2.98 0.03 A 155 HIS HD2 H 1 6.80 0.03 A 155 HIS CA C 13 54.15 0.20 A 155 HIS CB C 13 27.99 0.20 A 155 HIS CD2 C 13 121.12 0.20 A 155 HIS N N 15 117.16 0.20 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 139 GLU H A 135 LYS HGx 1.0 0.0 5.0 2 1 A 135 LYS HGy A 139 GLU H 1.0 0.0 5.0 3 2 A 99 ILE HA A 121 TYR HD% 1.0 0.0 5.0 4 3 A 116 LYS HGy A 9 GLU HA 1.0 0.0 4.0 5 4 A 9 GLU HA A 116 LYS HGx 1.0 0.0 6.0 6 5 A 116 LYS HGy A 116 LYS HA 1.0 0.0 3.0 7 6 A 99 ILE HA A 86 LEU H 1.0 0.0 5.0 8 7 A 116 LYS HGx A 115 ILE HA 1.0 0.0 6.0 9 8 A 30 LEU HG A 23 PHE HA 1.0 0.0 6.0 10 9 A 136 ALA HA A 135 LYS HGx 1.0 0.0 4.0 11 9 A 135 LYS HGy A 136 ALA HA 1.0 0.0 4.0 12 10 A 149 GLU HA A 146 LYS HA 1.0 0.0 6.0 13 11 A 34 ILE HG1y A 30 LEU HA 1.0 0.0 6.0 14 12 A 30 LEU HG A 27 ALA HA 1.0 0.0 6.0 15 13 A 30 LEU HG A 148 ILE HA 1.0 0.0 6.0 16 14 A 30 LEU HG A 26 ASP HBy 1.0 0.0 6.0 17 15 A 30 LEU HG A 26 ASP HBx 1.0 0.0 6.0 18 16 A 99 ILE HA A 86 LEU HBy 1.0 0.0 5.0 19 17 A 99 ILE HA A 101 TYR H 1.0 0.0 6.0 20 18 A 106 VAL HA A 104 LYS HGy 1.0 0.0 6.0 21 19 A 149 GLU HA A 14 ILE HG1y 1.0 0.0 6.0 22 20 A 30 LEU HG A 31 ILE HG1y 1.0 0.0 6.0 23 21 A 57 ILE HA A 40 LYS H 1.0 0.0 6.0 24 22 A 106 VAL HA A 107 SER H 1.0 0.0 3.0 25 23 A 30 LEU HG A 22 ALA HB% 1.0 0.0 6.0 26 24 A 57 ILE HA A 39 VAL HGx% 1.0 0.0 5.0 27 25 A 3 VAL HA A 4 TYR H 1.0 0.0 3.0 28 26 A 34 ILE HG1y A 31 ILE HA 1.0 0.0 5.0 29 27 A 57 ILE HA A 58 THR HB 1.0 0.0 6.0 30 28 A 11 THR HA A 115 ILE H 1.0 0.0 4.0 31 29 A 34 ILE HG1y A 34 ILE H 1.0 0.0 4.0 32 30 A 34 ILE HG1y A 33 LYS H 1.0 0.0 6.0 33 31 A 106 VAL HA A 107 SER HBx 1.0 0.0 5.0 34 32 A 11 THR HA A 12 SER H 1.0 0.0 3.0 35 33 A 3 VAL HA A 121 TYR H 1.0 0.0 6.0 36 34 A 11 THR HA A 115 ILE HD1% 1.0 0.0 4.0 37 35 A 3 VAL HA A 123 THR HG2% 1.0 0.0 6.0 38 36 A 114 ILE HA A 11 THR HB 1.0 0.0 4.0 39 37 A 127 VAL HA A 95 ASN HBy 1.0 0.0 6.0 40 38 A 117 THR HA A 103 THR HA 1.0 0.0 3.0 41 39 A 87 ILE HA A 86 LEU HDx% 1.0 0.0 6.0 42 40 A 117 THR HA A 118 THR H 1.0 0.0 3.0 43 41 A 127 VAL HA A 95 ASN HA 1.0 0.0 6.0 44 42 A 86 LEU HDx% A 86 LEU HA 1.0 0.0 3.0 45 43 A 87 ILE HA A 92 LEU HDx% 1.0 0.0 5.0 46 44 A 86 LEU HDx% A 87 ILE H 1.0 0.0 4.0 47 45 A 86 LEU HDx% A 68 VAL HA 1.0 0.0 4.0 48 46 A 68 VAL HA A 86 LEU HDy% 1.0 0.0 5.0 49 47 A 86 LEU HDx% A 71 LYS H 1.0 0.0 5.0 50 48 A 86 LEU HDx% A 88 GLU H 1.0 0.0 4.0 51 49 A 86 LEU HDy% A 99 ILE HG1x 1.0 0.0 5.0 52 50 A 87 ILE HA A 88 GLU HGy 1.0 0.0 5.0 53 51 A 115 ILE HA A 116 LYS HBy 1.0 0.0 6.0 54 52 A 86 LEU HDy% A 84 TYR HE% 1.0 0.0 6.0 55 53 A 127 VAL HA A 128 GLU HBx 1.0 0.0 6.0 56 54 A 127 VAL HA A 123 THR HB 1.0 0.0 6.0 57 55 A 14 ILE HG1x A 153 LYS HA 1.0 0.0 6.0 58 56 A 34 ILE HA A 144 LEU HDy% 1.0 0.0 6.0 59 57 A 92 LEU HG A 92 LEU H 1.0 0.0 4.0 60 58 A 118 THR HA A 7 GLU HA 1.0 0.0 3.0 61 59 A 5 THR HA A 118 THR HG2% 1.0 0.0 6.0 62 60 A 14 ILE HG1x A 153 LYS H 1.0 0.0 6.0 63 61 A 151 TYR HA A 154 ASP H 1.0 0.0 4.0 64 62 A 118 THR HA A 119 SER H 1.0 0.0 3.0 65 63 A 34 ILE HA A 33 LYS HDx 1.0 0.0 6.0 66 63 A 34 ILE HA A 33 LYS HDy 1.0 0.0 6.0 67 64 A 72 ILE HA A 74 SER H 1.0 0.0 5.0 68 65 A 152 LEU HG A 151 TYR H 1.0 0.0 6.0 69 66 A 145 PHE HA A 149 GLU H 1.0 0.0 5.0 70 67 A 145 PHE HA A 145 PHE HD% 1.0 0.0 3.0 71 68 A 152 LEU HG A 151 TYR HBx 1.0 0.0 6.0 72 69 A 152 LEU HG A 19 LEU HA 1.0 0.0 6.0 73 70 A 14 ILE HG1y A 152 LEU HG 1.0 0.0 6.0 74 71 A 148 ILE HA A 152 LEU HG 1.0 0.0 6.0 75 72 A 152 LEU HG A 151 TYR HD% 1.0 0.0 6.0 76 73 A 72 ILE HA A 84 TYR HD% 1.0 0.0 5.0 77 74 A 149 GLU HA A 152 LEU HG 1.0 0.0 6.0 78 75 A 103 THR HA A 104 LYS HBx 1.0 0.0 5.0 79 76 A 151 TYR HA A 152 LEU HG 1.0 0.0 6.0 80 77 A 44 ILE HA A 46 GLU H 1.0 0.0 5.0 81 78 A 72 ILE HA A 84 TYR HA 1.0 0.0 4.0 82 79 A 72 ILE HA A 84 TYR HBy 1.0 0.0 5.0 83 80 A 151 TYR HA A 151 TYR HD% 1.0 0.0 3.0 84 81 A 103 THR HA A 81 THR HG2% 1.0 0.0 5.0 85 82 A 75 ILE HA A 82 TYR HD% 1.0 0.0 4.0 86 83 A 20 PHE HA A 105 LEU HBx 1.0 0.0 5.0 87 83 A 20 PHE HA A 105 LEU HBy 1.0 0.0 5.0 88 84 A 39 VAL HA A 59 PHE HBx 1.0 0.0 4.0 89 84 A 39 VAL HA A 59 PHE HBy 1.0 0.0 4.0 90 85 A 39 VAL HA A 59 PHE HD% 1.0 0.0 5.0 91 86 A 11 THR HA A 114 ILE HG1x 1.0 0.0 4.0 92 86 A 11 THR HA A 114 ILE HG1y 1.0 0.0 4.0 93 87 A 39 VAL HA A 59 PHE HA 1.0 0.0 4.0 94 88 A 20 PHE HA A 24 VAL HGx% 1.0 0.0 4.0 95 89 A 20 PHE HA A 23 PHE HD% 1.0 0.0 4.0 96 90 A 113 THR HA A 114 ILE HB 1.0 0.0 5.0 97 91 A 113 THR HA A 106 VAL HB 1.0 0.0 6.0 98 92 A 71 LYS H A 72 ILE HG1x 1.0 0.0 5.0 99 92 A 71 LYS H A 72 ILE HG1y 1.0 0.0 5.0 100 93 A 113 THR HA A 108 ALA H 1.0 0.0 3.0 101 94 A 50 GLY HAx A 72 ILE HG1x 1.0 0.0 6.0 102 94 A 72 ILE HG1y A 50 GLY HAx 1.0 0.0 6.0 103 95 A 113 THR HA A 114 ILE H 1.0 0.0 3.0 104 96 A 20 PHE HA A 105 LEU HDx% 1.0 0.0 4.0 105 97 A 17 PRO HGy A 18 LYS HDx 1.0 0.0 6.0 106 98 A 49 GLY H A 72 ILE HG1x 1.0 0.0 5.0 107 98 A 72 ILE HG1y A 49 GLY H 1.0 0.0 5.0 108 99 A 15 PRO HA A 16 ALA H 1.0 0.0 3.0 109 100 A 113 THR HA A 107 SER HBx 1.0 0.0 5.0 110 101 A 75 ILE HG1y A 74 SER HA 1.0 0.0 6.0 111 102 A 113 THR HA A 107 SER HBy 1.0 0.0 6.0 112 103 A 15 PRO HBx A 107 SER HBy 1.0 0.0 6.0 113 104 A 55 LYS HEx A 72 ILE HG1x 1.0 0.0 4.0 114 104 A 55 LYS HEy A 72 ILE HG1x 1.0 0.0 4.0 115 104 A 72 ILE HG1y A 55 LYS HEx 1.0 0.0 4.0 116 104 A 72 ILE HG1y A 55 LYS HEy 1.0 0.0 4.0 117 105 A 82 TYR HE% A 72 ILE HG1x 1.0 0.0 5.0 118 105 A 72 ILE HG1y A 82 TYR HE% 1.0 0.0 5.0 119 106 A 82 TYR HD% A 75 ILE HG1y 1.0 0.0 6.0 120 107 A 75 ILE HG1y A 24 VAL HGy% 1.0 0.0 6.0 121 108 A 75 ILE HG1y A 82 TYR HE% 1.0 0.0 6.0 122 109 A 24 VAL HA A 27 ALA HB% 1.0 0.0 4.0 123 110 A 111 GLY H A 107 SER HBy 1.0 0.0 6.0 124 111 A 82 TYR HE% A 75 ILE HG1x 1.0 0.0 6.0 125 112 A 82 TYR HD% A 75 ILE HG1x 1.0 0.0 6.0 126 113 A 36 PRO HA A 39 VAL HGy% 1.0 0.0 4.0 127 114 A 17 PRO HGy A 15 PRO HDy 1.0 0.0 6.0 128 115 A 53 THR HA A 47 GLY HAx 1.0 0.0 4.0 129 116 A 40 LYS HEy A 41 CYS HBx 1.0 0.0 5.0 130 116 A 41 CYS HBy A 40 LYS HEx 1.0 0.0 5.0 131 116 A 41 CYS HBy A 40 LYS HEy 1.0 0.0 5.0 132 116 A 40 LYS HEx A 41 CYS HBx 1.0 0.0 5.0 133 117 A 18 LYS HDx A 19 LEU H 1.0 0.0 6.0 134 118 A 115 ILE HG1y A 105 LEU HG 1.0 0.0 5.0 135 119 A 53 THR HA A 54 ILE HB 1.0 0.0 5.0 136 120 A 36 PRO HA A 38 ALA H 1.0 0.0 5.0 137 121 A 53 THR HA A 45 LEU HBx 1.0 0.0 6.0 138 121 A 53 THR HA A 45 LEU HBy 1.0 0.0 6.0 139 122 A 151 TYR HD% A 33 LYS HDx 1.0 0.0 6.0 140 122 A 33 LYS HDy A 151 TYR HD% 1.0 0.0 6.0 141 123 A 36 PRO HA A 38 ALA HB% 1.0 0.0 5.0 142 124 A 147 LEU HDy% A 146 LYS HDx 1.0 0.0 6.0 143 124 A 146 LYS HDy A 147 LEU HDy% 1.0 0.0 6.0 144 125 A 115 ILE HG1x A 114 ILE HG2% 1.0 0.0 6.0 145 126 A 40 LYS HDy A 41 CYS HBx 1.0 0.0 5.0 146 126 A 40 LYS HDx A 41 CYS HBx 1.0 0.0 5.0 147 126 A 41 CYS HBy A 40 LYS HDx 1.0 0.0 5.0 148 126 A 41 CYS HBy A 40 LYS HDy 1.0 0.0 5.0 149 127 A 135 LYS HDy A 139 GLU HBx 1.0 0.0 6.0 150 127 A 135 LYS HDx A 139 GLU HBx 1.0 0.0 6.0 151 127 A 139 GLU HBy A 135 LYS HDx 1.0 0.0 6.0 152 127 A 139 GLU HBy A 135 LYS HDy 1.0 0.0 6.0 153 128 A 53 THR HA A 54 ILE H 1.0 0.0 3.0 154 129 A 57 ILE HG2% A 41 CYS HBx 1.0 0.0 6.0 155 129 A 41 CYS HBy A 57 ILE HG2% 1.0 0.0 6.0 156 130 A 5 THR H A 120 LYS HDx 1.0 0.0 6.0 157 130 A 120 LYS HDy A 5 THR H 1.0 0.0 6.0 158 131 A 73 HIS HD2 A 71 LYS HDx 1.0 0.0 6.0 159 131 A 71 LYS HDy A 73 HIS HD2 1.0 0.0 6.0 160 132 A 71 LYS HDy A 85 SER HBx 1.0 0.0 5.0 161 132 A 71 LYS HDx A 85 SER HBx 1.0 0.0 5.0 162 132 A 85 SER HBy A 71 LYS HDx 1.0 0.0 5.0 163 132 A 71 LYS HDy A 85 SER HBy 1.0 0.0 5.0 164 133 A 139 GLU HBy A 143 HIS HBx 1.0 0.0 6.0 165 133 A 139 GLU HBx A 143 HIS HBx 1.0 0.0 6.0 166 133 A 143 HIS HBy A 139 GLU HBx 1.0 0.0 6.0 167 133 A 139 GLU HBy A 143 HIS HBy 1.0 0.0 6.0 168 134 A 32 PRO HGx A 41 CYS HBx 1.0 0.0 6.0 169 134 A 32 PRO HGy A 41 CYS HBx 1.0 0.0 6.0 170 134 A 41 CYS HBy A 32 PRO HGx 1.0 0.0 6.0 171 134 A 41 CYS HBy A 32 PRO HGy 1.0 0.0 6.0 172 135 A 78 VAL HA A 80 HIS H 1.0 0.0 4.0 173 136 A 95 ASN HBx A 124 LYS HGx 1.0 0.0 6.0 174 136 A 124 LYS HGy A 95 ASN HBx 1.0 0.0 6.0 175 137 A 51 PRO HA A 52 GLY H 1.0 0.0 3.0 176 138 A 51 PRO HA A 75 ILE H 1.0 0.0 5.0 177 139 A 51 PRO HA A 73 HIS HA 1.0 0.0 5.0 178 140 A 34 ILE HG1y A 148 ILE HA 1.0 0.0 6.0 179 141 A 140 LYS H A 143 HIS HBx 1.0 0.0 5.0 180 141 A 143 HIS HBy A 140 LYS H 1.0 0.0 5.0 181 142 A 99 ILE HG2% A 85 SER HBx 1.0 0.0 5.0 182 142 A 85 SER HBy A 99 ILE HG2% 1.0 0.0 5.0 183 143 A 99 ILE HA A 85 SER HBx 1.0 0.0 5.0 184 143 A 99 ILE HA A 85 SER HBy 1.0 0.0 5.0 185 144 A 73 HIS HD2 A 85 SER HBx 1.0 0.0 4.0 186 144 A 73 HIS HD2 A 85 SER HBy 1.0 0.0 4.0 187 145 A 85 SER HBx A 101 TYR HD2 1.0 0.0 4.0 188 145 A 85 SER HBy A 101 TYR HD1 1.0 0.0 4.0 189 145 A 85 SER HBy A 101 TYR HD2 1.0 0.0 4.0 190 145 A 101 TYR HD1 A 85 SER HBx 1.0 0.0 4.0 191 146 A 87 ILE HD1% A 85 SER HBx 1.0 0.0 6.0 192 146 A 85 SER HBy A 87 ILE HD1% 1.0 0.0 6.0 193 147 A 17 PRO HA A 20 PHE HBx 1.0 0.0 3.0 194 147 A 17 PRO HA A 20 PHE HBy 1.0 0.0 3.0 195 148 A 101 TYR H A 85 SER HBx 1.0 0.0 4.0 196 148 A 101 TYR H A 85 SER HBy 1.0 0.0 4.0 197 149 A 17 PRO HA A 21 LYS H 1.0 0.0 5.0 198 150 A 17 PRO HA A 16 ALA HB% 1.0 0.0 4.0 199 151 A 12 SER HBx A 113 THR HB 1.0 0.0 6.0 200 152 A 32 PRO HBy A 33 LYS HDx 1.0 0.0 6.0 201 152 A 32 PRO HBx A 33 LYS HDx 1.0 0.0 6.0 202 152 A 33 LYS HDy A 32 PRO HBx 1.0 0.0 6.0 203 152 A 33 LYS HDy A 32 PRO HBy 1.0 0.0 6.0 204 153 A 39 VAL HGx% A 32 PRO HBx 1.0 0.0 6.0 205 153 A 39 VAL HGx% A 32 PRO HBy 1.0 0.0 6.0 206 154 A 17 PRO HA A 20 PHE H 1.0 0.0 4.0 207 155 A 115 ILE HG1y A 12 SER HBx 1.0 0.0 6.0 208 156 A 39 VAL HGy% A 36 PRO HBx 1.0 0.0 5.0 209 156 A 39 VAL HGy% A 36 PRO HBy 1.0 0.0 5.0 210 157 A 78 VAL HB A 76 ASP HBx 1.0 0.0 6.0 211 158 A 31 ILE HA A 34 ILE H 1.0 0.0 6.0 212 159 A 31 ILE HA A 34 ILE HD1% 1.0 0.0 6.0 213 160 A 78 VAL HB A 79 ASN HA 1.0 0.0 5.0 214 161 A 78 VAL HB A 76 ASP HBy 1.0 0.0 6.0 215 162 A 78 VAL HB A 77 LYS H 1.0 0.0 5.0 216 163 A 40 LYS HA A 36 PRO HBx 1.0 0.0 6.0 217 163 A 36 PRO HBy A 40 LYS HA 1.0 0.0 6.0 218 164 A 52 GLY HAx A 73 HIS HBx 1.0 0.0 6.0 219 164 A 73 HIS HBy A 52 GLY HAx 1.0 0.0 6.0 220 164 A 73 HIS HBy A 52 GLY HAy 1.0 0.0 6.0 221 164 A 52 GLY HAy A 73 HIS HBx 1.0 0.0 6.0 222 165 A 146 LYS HBy A 143 HIS HBx 1.0 0.0 6.0 223 165 A 143 HIS HBy A 146 LYS HBy 1.0 0.0 6.0 224 166 A 17 PRO HDy A 18 LYS HBx 1.0 0.0 6.0 225 166 A 17 PRO HDx A 18 LYS HBx 1.0 0.0 6.0 226 167 A 153 LYS HBy A 13 ASP HBy 1.0 0.0 6.0 227 167 A 13 ASP HBy A 153 LYS HBx 1.0 0.0 6.0 228 168 A 34 ILE H A 33 LYS HBx 1.0 0.0 3.0 229 168 A 34 ILE H A 33 LYS HBy 1.0 0.0 3.0 230 169 A 5 THR HB A 7 GLU HBx 1.0 0.0 6.0 231 169 A 7 GLU HBy A 5 THR HB 1.0 0.0 6.0 232 170 A 34 ILE HG1x A 33 LYS HBx 1.0 0.0 5.0 233 170 A 33 LYS HBy A 34 ILE HG1x 1.0 0.0 5.0 234 171 A 53 THR HG2% A 46 GLU HBy 1.0 0.0 5.0 235 172 A 47 GLY HAx A 46 GLU HBy 1.0 0.0 5.0 236 173 A 15 PRO HBy A 14 ILE HG2% 1.0 0.0 5.0 237 174 A 16 ALA H A 15 PRO HBy 1.0 0.0 4.0 238 175 A 37 GLN HGx A 37 GLN H 1.0 0.0 4.0 239 176 A 37 GLN H A 37 GLN HGy 1.0 0.0 4.0 240 177 A 3 VAL HB A 2 GLY HAy 1.0 0.0 5.0 241 178 A 3 VAL HB A 3 VAL H 1.0 0.0 3.0 242 179 A 59 PHE H A 40 LYS HBx 1.0 0.0 6.0 243 179 A 40 LYS HBy A 59 PHE H 1.0 0.0 6.0 244 180 A 56 LYS H A 43 GLU HBx 1.0 0.0 4.0 245 180 A 43 GLU HBy A 56 LYS H 1.0 0.0 4.0 246 181 A 3 VAL HB A 120 LYS HGx 1.0 0.0 6.0 247 181 A 3 VAL HB A 120 LYS HGy 1.0 0.0 6.0 248 182 A 3 VAL HB A 123 THR H 1.0 0.0 6.0 249 183 A 95 ASN HBx A 127 VAL HB 1.0 0.0 6.0 250 184 A 123 THR HG2% A 3 VAL HB 1.0 0.0 6.0 251 185 A 106 VAL HB A 105 LEU HA 1.0 0.0 5.0 252 186 A 106 VAL HB A 114 ILE H 1.0 0.0 4.0 253 187 A 53 THR HB A 44 ILE HG1x 1.0 0.0 6.0 254 188 A 53 THR HB A 72 ILE HD1% 1.0 0.0 4.0 255 189 A 5 THR H A 5 THR HB 1.0 0.0 3.0 256 190 A 5 THR HB A 120 LYS HDx 1.0 0.0 5.0 257 190 A 120 LYS HDy A 5 THR HB 1.0 0.0 5.0 258 191 A 118 THR HG2% A 5 THR HB 1.0 0.0 4.0 259 192 A 53 THR HB A 75 ILE HG2% 1.0 0.0 6.0 260 193 A 117 THR HA A 118 THR HB 1.0 0.0 5.0 261 194 A 118 THR HB A 102 GLU H 1.0 0.0 4.0 262 195 A 118 THR HB A 5 THR HG2% 1.0 0.0 4.0 263 196 A 99 ILE HA A 120 LYS HBx 1.0 0.0 6.0 264 197 A 103 THR HA A 104 LYS HBy 1.0 0.0 5.0 265 198 A 129 ILE HG2% A 128 GLU HGx 1.0 0.0 6.0 266 198 A 128 GLU HGy A 129 ILE HG2% 1.0 0.0 6.0 267 199 A 46 GLU HGy A 45 LEU HA 1.0 0.0 6.0 268 200 A 11 THR HB A 114 ILE HB 1.0 0.0 6.0 269 201 A 129 ILE HB A 128 GLU HBy 1.0 0.0 6.0 270 202 A 135 LYS HEy A 139 GLU HGx 1.0 0.0 6.0 271 202 A 135 LYS HEx A 139 GLU HGx 1.0 0.0 6.0 272 202 A 139 GLU HGy A 135 LYS HEx 1.0 0.0 6.0 273 202 A 139 GLU HGy A 135 LYS HEy 1.0 0.0 6.0 274 203 A 117 THR H A 9 GLU HGx 1.0 0.0 5.0 275 203 A 9 GLU HGy A 117 THR H 1.0 0.0 5.0 276 204 A 117 THR HB A 8 ASN HBy 1.0 0.0 6.0 277 205 A 131 GLU HA A 132 GLU HGx 1.0 0.0 6.0 278 205 A 132 GLU HGy A 131 GLU HA 1.0 0.0 6.0 279 206 A 59 PHE HD% A 68 VAL HB 1.0 0.0 6.0 280 207 A 81 THR HB A 79 ASN HBx 1.0 0.0 4.0 281 208 A 129 ILE HB A 96 ILE HG1x 1.0 0.0 5.0 282 208 A 129 ILE HB A 96 ILE HG1y 1.0 0.0 5.0 283 209 A 9 GLU HGy A 116 LYS HDx 1.0 0.0 4.0 284 209 A 9 GLU HGx A 116 LYS HDx 1.0 0.0 4.0 285 209 A 116 LYS HDy A 9 GLU HGx 1.0 0.0 4.0 286 209 A 9 GLU HGy A 116 LYS HDy 1.0 0.0 4.0 287 210 A 68 VAL HB A 57 ILE HB 1.0 0.0 6.0 288 211 A 7 GLU HGx A 116 LYS HEx 1.0 0.0 5.0 289 211 A 7 GLU HGy A 116 LYS HEx 1.0 0.0 5.0 290 211 A 116 LYS HEy A 7 GLU HGx 1.0 0.0 5.0 291 211 A 7 GLU HGy A 116 LYS HEy 1.0 0.0 5.0 292 212 A 8 ASN HBx A 9 GLU HGx 1.0 0.0 6.0 293 212 A 9 GLU HGy A 8 ASN HBx 1.0 0.0 6.0 294 213 A 104 LYS HBy A 103 THR HB 1.0 0.0 6.0 295 214 A 9 GLU HGy A 116 LYS HEx 1.0 0.0 5.0 296 214 A 9 GLU HGx A 116 LYS HEx 1.0 0.0 5.0 297 214 A 116 LYS HEy A 9 GLU HGx 1.0 0.0 5.0 298 214 A 9 GLU HGy A 116 LYS HEy 1.0 0.0 5.0 299 215 A 104 LYS HBy A 81 THR HB 1.0 0.0 6.0 300 216 A 81 THR HB A 104 LYS HA 1.0 0.0 5.0 301 217 A 76 ASP HBx A 81 THR HB 1.0 0.0 4.0 302 218 A 73 HIS HD2 A 102 GLU HGx 1.0 0.0 6.0 303 218 A 73 HIS HD2 A 102 GLU HGy 1.0 0.0 6.0 304 219 A 103 THR HB A 82 TYR HBx 1.0 0.0 5.0 305 220 A 81 THR HB A 81 THR H 1.0 0.0 3.0 306 221 A 81 THR HB A 104 LYS HEx 1.0 0.0 6.0 307 221 A 81 THR HB A 104 LYS HEy 1.0 0.0 6.0 308 222 A 88 GLU HGy A 69 LYS HDx 1.0 0.0 6.0 309 222 A 88 GLU HGy A 69 LYS HDy 1.0 0.0 6.0 310 223 A 92 LEU HDx% A 88 GLU HGy 1.0 0.0 5.0 311 224 A 148 ILE HB A 144 LEU HBx 1.0 0.0 6.0 312 224 A 148 ILE HB A 144 LEU HBy 1.0 0.0 6.0 313 225 A 72 ILE HB A 53 THR H 1.0 0.0 6.0 314 226 A 53 THR HG2% A 72 ILE HB 1.0 0.0 6.0 315 227 A 74 SER HA A 72 ILE HB 1.0 0.0 6.0 316 228 A 81 THR HG2% A 79 ASN HBy 1.0 0.0 5.0 317 229 A 79 ASN HBx A 78 VAL HGx% 1.0 0.0 5.0 318 230 A 78 VAL HB A 79 ASN HBx 1.0 0.0 6.0 319 231 A 95 ASN HBy A 95 ASN HD21 1.0 0.0 3.0 320 232 A 81 THR HG2% A 79 ASN HBx 1.0 0.0 5.0 321 233 A 29 ASN H A 28 ASP HBx 1.0 0.0 3.0 322 233 A 28 ASP HBy A 29 ASN H 1.0 0.0 3.0 323 234 A 114 ILE HB A 106 VAL HB 1.0 0.0 6.0 324 235 A 17 PRO HGy A 20 PHE HBx 1.0 0.0 6.0 325 235 A 17 PRO HGy A 20 PHE HBy 1.0 0.0 6.0 326 236 A 21 LYS H A 20 PHE HBx 1.0 0.0 3.0 327 236 A 20 PHE HBy A 21 LYS H 1.0 0.0 3.0 328 237 A 116 LYS HGy A 114 ILE HB 1.0 0.0 6.0 329 238 A 92 LEU HBx A 97 GLU HA 1.0 0.0 5.0 330 239 A 86 LEU HDx% A 87 ILE HB 1.0 0.0 5.0 331 240 A 22 ALA H A 20 PHE HBx 1.0 0.0 6.0 332 240 A 20 PHE HBy A 22 ALA H 1.0 0.0 6.0 333 241 A 105 LEU HDy% A 20 PHE HBx 1.0 0.0 5.0 334 241 A 20 PHE HBy A 105 LEU HDy% 1.0 0.0 5.0 335 242 A 24 VAL HGx% A 23 PHE HBy 1.0 0.0 6.0 336 243 A 126 ASP HBx A 128 GLU H 1.0 0.0 6.0 337 244 A 23 PHE HBy A 23 PHE H 1.0 0.0 3.0 338 245 A 23 PHE H A 23 PHE HBx 1.0 0.0 3.0 339 246 A 145 PHE HD% A 23 PHE HBy 1.0 0.0 6.0 340 247 A 24 VAL HGx% A 23 PHE HBx 1.0 0.0 5.0 341 248 A 3 VAL HGx% A 121 TYR HBx 1.0 0.0 6.0 342 249 A 75 ILE HB A 24 VAL HB 1.0 0.0 6.0 343 250 A 90 ASP HBx A 66 GLY HAx 1.0 0.0 6.0 344 251 A 82 TYR HD% A 84 TYR HBx 1.0 0.0 5.0 345 252 A 72 ILE HA A 84 TYR HBx 1.0 0.0 3.0 346 253 A 76 ASP HBx A 79 ASN HA 1.0 0.0 5.0 347 254 A 75 ILE HB A 77 LYS HEx 1.0 0.0 5.0 348 254 A 75 ILE HB A 77 LYS HEy 1.0 0.0 5.0 349 255 A 90 ASP HBx A 67 TYR H 1.0 0.0 6.0 350 256 A 115 ILE HA A 10 PHE HBx 1.0 0.0 6.0 351 257 A 75 ILE HB A 77 LYS HA 1.0 0.0 6.0 352 258 A 48 ASP HBy A 49 GLY HAx 1.0 0.0 6.0 353 259 A 90 ASP HBx A 68 VAL HGx% 1.0 0.0 6.0 354 260 A 82 TYR HD% A 75 ILE HB 1.0 0.0 5.0 355 261 A 115 ILE HD1% A 10 PHE HBx 1.0 0.0 4.0 356 262 A 76 ASP HBy A 79 ASN HBy 1.0 0.0 4.0 357 263 A 67 TYR HBx A 68 VAL H 1.0 0.0 4.0 358 264 A 76 ASP HBy A 81 THR HB 1.0 0.0 4.0 359 265 A 76 ASP HBx A 81 THR H 1.0 0.0 4.0 360 266 A 145 PHE HD% A 10 PHE HBx 1.0 0.0 5.0 361 267 A 115 ILE HD1% A 10 PHE HBy 1.0 0.0 6.0 362 268 A 76 ASP HBy A 81 THR H 1.0 0.0 4.0 363 269 A 10 PHE HBy A 8 ASN HD22 1.0 0.0 5.0 364 270 A 115 ILE H A 10 PHE HBx 1.0 0.0 5.0 365 271 A 114 ILE HG2% A 10 PHE HBx 1.0 0.0 6.0 366 272 A 59 PHE HD% A 67 TYR HBx 1.0 0.0 5.0 367 273 A 67 TYR HBx A 56 LYS HA 1.0 0.0 6.0 368 274 A 115 ILE HG1y A 10 PHE HBx 1.0 0.0 6.0 369 275 A 77 LYS H A 77 LYS HEx 1.0 0.0 5.0 370 275 A 77 LYS H A 77 LYS HEy 1.0 0.0 5.0 371 276 A 18 LYS HEy A 15 PRO HDy 1.0 0.0 6.0 372 276 A 15 PRO HDy A 18 LYS HEx 1.0 0.0 6.0 373 277 A 6 TYR HBy A 120 LYS HGx 1.0 0.0 6.0 374 277 A 6 TYR HBx A 120 LYS HGx 1.0 0.0 6.0 375 277 A 120 LYS HGy A 6 TYR HBx 1.0 0.0 6.0 376 277 A 120 LYS HGy A 6 TYR HBy 1.0 0.0 6.0 377 278 A 48 ASP HBy A 47 GLY H 1.0 0.0 6.0 378 279 A 57 ILE HB A 67 TYR HBx 1.0 0.0 5.0 379 280 A 67 TYR HBy A 66 GLY HAy 1.0 0.0 6.0 380 281 A 50 GLY HAx A 77 LYS HEx 1.0 0.0 6.0 381 281 A 50 GLY HAx A 77 LYS HEy 1.0 0.0 6.0 382 282 A 101 TYR HBx A 102 GLU HBx 1.0 0.0 6.0 383 282 A 101 TYR HBx A 102 GLU HBy 1.0 0.0 6.0 384 283 A 25 LEU HA A 77 LYS HEx 1.0 0.0 6.0 385 283 A 77 LYS HEy A 25 LEU HA 1.0 0.0 6.0 386 284 A 125 GLY H A 124 LYS HEx 1.0 0.0 6.0 387 284 A 124 LYS HEy A 125 GLY H 1.0 0.0 6.0 388 285 A 88 GLU H A 69 LYS HEx 1.0 0.0 6.0 389 285 A 88 GLU H A 69 LYS HEy 1.0 0.0 6.0 390 286 A 18 LYS H A 18 LYS HEx 1.0 0.0 5.0 391 286 A 18 LYS HEy A 18 LYS H 1.0 0.0 5.0 392 287 A 34 ILE HD1% A 147 LEU HBx 1.0 0.0 4.0 393 287 A 34 ILE HD1% A 147 LEU HBy 1.0 0.0 4.0 394 288 A 22 ALA HA A 30 LEU HBx 1.0 0.0 5.0 395 288 A 30 LEU HBy A 22 ALA HA 1.0 0.0 5.0 396 289 A 103 THR HB A 82 TYR HBy 1.0 0.0 4.0 397 290 A 82 TYR HBx A 82 TYR H 1.0 0.0 3.0 398 291 A 26 ASP HBx A 22 ALA HB% 1.0 0.0 5.0 399 292 A 24 VAL HGx% A 82 TYR HBy 1.0 0.0 5.0 400 293 A 24 VAL HGy% A 82 TYR HBy 1.0 0.0 4.0 401 294 A 100 ASP HBx A 120 LYS HGx 1.0 0.0 6.0 402 294 A 120 LYS HGy A 100 ASP HBx 1.0 0.0 6.0 403 295 A 117 THR HB A 8 ASN HBx 1.0 0.0 5.0 404 296 A 24 VAL HGx% A 82 TYR HBx 1.0 0.0 6.0 405 297 A 24 VAL HGy% A 82 TYR HBx 1.0 0.0 5.0 406 298 A 8 ASN HBx A 117 THR HG2% 1.0 0.0 5.0 407 299 A 50 GLY HAx A 47 GLY HAx 1.0 0.0 6.0 408 300 A 47 GLY HAx A 50 GLY HAy 1.0 0.0 5.0 409 301 A 86 LEU HDy% A 86 LEU HBx 1.0 0.0 3.0 410 302 A 112 GLY HAx A 108 ALA HB% 1.0 0.0 6.0 411 303 A 86 LEU HBx A 101 TYR HD1 1.0 0.0 4.0 412 303 A 86 LEU HBx A 101 TYR HD2 1.0 0.0 4.0 413 304 A 108 ALA HB% A 112 GLY HAy 1.0 0.0 5.0 414 305 A 111 GLY H A 112 GLY HAy 1.0 0.0 5.0 415 306 A 123 THR HB A 125 GLY HAy 1.0 0.0 6.0 416 307 A 108 ALA HB% A 111 GLY HAx 1.0 0.0 6.0 417 308 A 68 VAL HA A 89 GLY HAx 1.0 0.0 3.0 418 308 A 68 VAL HA A 89 GLY HAy 1.0 0.0 3.0 419 309 A 47 GLY HAx A 72 ILE HD1% 1.0 0.0 6.0 420 310 A 93 SER H A 89 GLY HAx 1.0 0.0 5.0 421 310 A 89 GLY HAy A 93 SER H 1.0 0.0 5.0 422 311 A 86 LEU HDy% A 89 GLY HAx 1.0 0.0 3.0 423 311 A 86 LEU HDy% A 89 GLY HAy 1.0 0.0 3.0 424 312 A 66 GLY HAy A 67 TYR HD% 1.0 0.0 5.0 425 313 A 14 ILE HD1% A 13 ASP HBy 1.0 0.0 4.0 426 314 A 66 GLY HAx A 67 TYR HD% 1.0 0.0 5.0 427 315 A 111 GLY HAy A 107 SER HBy 1.0 0.0 6.0 428 316 A 53 THR HG2% A 49 GLY HAy 1.0 0.0 4.0 429 317 A 53 THR HB A 49 GLY HAy 1.0 0.0 5.0 430 318 A 53 THR HG2% A 49 GLY HAx 1.0 0.0 5.0 431 319 A 59 PHE HD% A 66 GLY HAy 1.0 0.0 5.0 432 320 A 126 ASP HBx A 125 GLY HAx 1.0 0.0 6.0 433 321 A 123 THR HB A 125 GLY HAx 1.0 0.0 6.0 434 322 A 125 GLY HAy A 126 ASP HBy 1.0 0.0 6.0 435 323 A 14 ILE HD1% A 13 ASP H 1.0 0.0 5.0 436 324 A 153 LYS H A 14 ILE HD1% 1.0 0.0 4.0 437 325 A 149 GLU HA A 14 ILE HD1% 1.0 0.0 4.0 438 326 A 14 ILE HD1% A 13 ASP HBx 1.0 0.0 5.0 439 327 A 14 ILE HD1% A 14 ILE H 1.0 0.0 4.0 440 328 A 123 THR HG2% A 129 ILE HD1% 1.0 0.0 6.0 441 329 A 129 ILE HD1% A 121 TYR HBx 1.0 0.0 6.0 442 330 A 121 TYR HD% A 129 ILE HD1% 1.0 0.0 5.0 443 331 A 23 PHE HD% A 31 ILE HD1% 1.0 0.0 6.0 444 332 A 46 GLU H A 44 ILE HD1% 1.0 0.0 6.0 445 333 A 31 ILE HD1% A 23 PHE HE% 1.0 0.0 6.0 446 334 A 31 ILE HD1% A 29 ASN HBx 1.0 0.0 6.0 447 334 A 31 ILE HD1% A 29 ASN HBy 1.0 0.0 6.0 448 335 A 49 GLY H A 44 ILE HD1% 1.0 0.0 5.0 449 336 A 48 ASP HBy A 44 ILE HD1% 1.0 0.0 5.0 450 337 A 44 ILE HD1% A 48 ASP H 1.0 0.0 5.0 451 338 A 53 THR HG2% A 44 ILE HD1% 1.0 0.0 3.0 452 339 A 49 GLY HAx A 44 ILE HD1% 1.0 0.0 4.0 453 340 A 44 ILE HD1% A 55 LYS HA 1.0 0.0 5.0 454 341 A 137 GLY HAx A 140 LYS HBx 1.0 0.0 3.0 455 341 A 137 GLY HAx A 140 LYS HBy 1.0 0.0 3.0 456 342 A 137 GLY HAx A 139 GLU HBx 1.0 0.0 6.0 457 342 A 139 GLU HBy A 137 GLY HAx 1.0 0.0 6.0 458 343 A 72 ILE HD1% A 54 ILE HA 1.0 0.0 6.0 459 344 A 72 ILE HD1% A 55 LYS HEx 1.0 0.0 6.0 460 344 A 55 LYS HEy A 72 ILE HD1% 1.0 0.0 6.0 461 345 A 72 ILE HD1% A 71 LYS HA 1.0 0.0 6.0 462 346 A 82 TYR HE% A 72 ILE HD1% 1.0 0.0 6.0 463 347 A 84 TYR HD% A 72 ILE HD1% 1.0 0.0 6.0 464 348 A 82 TYR HD% A 72 ILE HD1% 1.0 0.0 6.0 465 349 A 59 PHE HD% A 57 ILE HD1% 1.0 0.0 6.0 466 350 A 57 ILE HD1% A 42 ALA HA 1.0 0.0 5.0 467 351 A 108 ALA HB% A 114 ILE HD1% 1.0 0.0 6.0 468 352 A 107 SER H A 114 ILE HD1% 1.0 0.0 6.0 469 353 A 23 PHE HBy A 148 ILE HD1% 1.0 0.0 6.0 470 354 A 23 PHE HA A 148 ILE HD1% 1.0 0.0 6.0 471 355 A 23 PHE HE% A 148 ILE HD1% 1.0 0.0 6.0 472 356 A 23 PHE HD% A 148 ILE HD1% 1.0 0.0 6.0 473 357 A 145 PHE HD% A 148 ILE HD1% 1.0 0.0 6.0 474 358 A 145 PHE HA A 148 ILE HD1% 1.0 0.0 6.0 475 359 A 86 LEU HDx% A 87 ILE HD1% 1.0 0.0 6.0 476 360 A 86 LEU HA A 87 ILE HD1% 1.0 0.0 6.0 477 361 A 88 GLU HGy A 87 ILE HD1% 1.0 0.0 6.0 478 362 A 87 ILE HD1% A 71 LYS HA 1.0 0.0 6.0 479 363 A 50 GLY HAx A 75 ILE HD1% 1.0 0.0 4.0 480 364 A 25 LEU HA A 75 ILE HD1% 1.0 0.0 6.0 481 365 A 82 TYR HE% A 75 ILE HD1% 1.0 0.0 4.0 482 366 A 24 VAL HGx% A 75 ILE HD1% 1.0 0.0 5.0 483 367 A 24 VAL HGy% A 75 ILE HD1% 1.0 0.0 4.0 484 368 A 148 ILE HA A 34 ILE HD1% 1.0 0.0 4.0 485 369 A 34 ILE HD1% A 147 LEU H 1.0 0.0 5.0 486 370 A 34 ILE H A 34 ILE HD1% 1.0 0.0 4.0 487 371 A 114 ILE HD1% A 108 ALA HA 1.0 0.0 5.0 488 372 A 99 ILE HD1% A 99 ILE H 1.0 0.0 4.0 489 373 A 99 ILE HD1% A 92 LEU HA 1.0 0.0 5.0 490 374 A 113 THR HA A 108 ALA HA 1.0 0.0 6.0 491 375 A 86 LEU HDy% A 99 ILE HD1% 1.0 0.0 4.0 492 376 A 121 TYR HD% A 99 ILE HD1% 1.0 0.0 5.0 493 377 A 36 PRO HDy A 33 LYS HA 1.0 0.0 6.0 494 378 A 36 PRO HDy A 35 ALA HA 1.0 0.0 3.0 495 379 A 37 GLN H A 36 PRO HDy 1.0 0.0 3.0 496 380 A 115 ILE HD1% A 12 SER HBy 1.0 0.0 5.0 497 381 A 28 ASP HA A 32 PRO HDx 1.0 0.0 6.0 498 381 A 32 PRO HDy A 28 ASP HA 1.0 0.0 6.0 499 382 A 115 ILE HD1% A 12 SER HBx 1.0 0.0 5.0 500 383 A 12 SER H A 115 ILE HD1% 1.0 0.0 5.0 501 384 A 115 ILE HD1% A 145 PHE HD% 1.0 0.0 5.0 502 385 A 115 ILE HD1% A 10 PHE HA 1.0 0.0 6.0 503 386 A 115 ILE HD1% A 148 ILE HB 1.0 0.0 6.0 504 387 A 35 ALA HA A 36 PRO HBx 1.0 0.0 5.0 505 387 A 36 PRO HBy A 35 ALA HA 1.0 0.0 5.0 506 388 A 35 ALA HA A 36 PRO HGx 1.0 0.0 5.0 507 389 A 114 ILE HD1% A 109 PRO HDx 1.0 0.0 6.0 508 390 A 35 ALA HA A 37 GLN HBx 1.0 0.0 5.0 509 390 A 35 ALA HA A 37 GLN HBy 1.0 0.0 5.0 510 391 A 114 ILE HD1% A 109 PRO HDy 1.0 0.0 6.0 511 392 A 38 ALA HB% A 35 ALA HA 1.0 0.0 4.0 512 393 A 37 GLN H A 35 ALA HA 1.0 0.0 4.0 513 394 A 57 ILE HB A 42 ALA HA 1.0 0.0 5.0 514 395 A 42 ALA HA A 43 GLU H 1.0 0.0 3.0 515 396 A 39 VAL HGx% A 42 ALA HA 1.0 0.0 6.0 516 397 A 16 ALA HB% A 18 LYS H 1.0 0.0 5.0 517 398 A 16 ALA HB% A 20 PHE H 1.0 0.0 5.0 518 399 A 105 LEU HG A 16 ALA HB% 1.0 0.0 5.0 519 400 A 16 ALA HB% A 105 LEU HA 1.0 0.0 5.0 520 401 A 16 ALA HB% A 113 THR HB 1.0 0.0 5.0 521 402 A 16 ALA HB% A 107 SER HA 1.0 0.0 5.0 522 403 A 114 ILE H A 16 ALA HB% 1.0 0.0 5.0 523 404 A 107 SER H A 16 ALA HB% 1.0 0.0 5.0 524 405 A 86 LEU HBy A 99 ILE HG2% 1.0 0.0 5.0 525 406 A 18 LYS HDy A 15 PRO HDx 1.0 0.0 6.0 526 407 A 18 LYS HDy A 15 PRO HDy 1.0 0.0 6.0 527 408 A 123 THR HG2% A 129 ILE HG2% 1.0 0.0 5.0 528 409 A 129 ILE HG2% A 131 GLU HBx 1.0 0.0 5.0 529 409 A 129 ILE HG2% A 131 GLU HBy 1.0 0.0 5.0 530 410 A 121 TYR HD% A 129 ILE HG2% 1.0 0.0 6.0 531 411 A 129 ILE HG2% A 128 GLU HA 1.0 0.0 5.0 532 412 A 14 ILE HG2% A 18 LYS HEx 1.0 0.0 5.0 533 412 A 14 ILE HG2% A 18 LYS HEy 1.0 0.0 5.0 534 413 A 19 LEU H A 14 ILE HG2% 1.0 0.0 4.0 535 414 A 14 ILE HG2% A 18 LYS H 1.0 0.0 4.0 536 415 A 129 ILE HG2% A 133 HIS HBx 1.0 0.0 5.0 537 415 A 129 ILE HG2% A 133 HIS HBy 1.0 0.0 5.0 538 416 A 14 ILE HG2% A 18 LYS HDy 1.0 0.0 4.0 539 417 A 19 LEU HA A 14 ILE HG2% 1.0 0.0 4.0 540 418 A 14 ILE HG2% A 15 PRO HDx 1.0 0.0 3.0 541 419 A 23 PHE HA A 148 ILE HG2% 1.0 0.0 6.0 542 420 A 77 LYS H A 76 ASP HA 1.0 0.0 3.0 543 421 A 78 VAL HGx% A 76 ASP HA 1.0 0.0 6.0 544 422 A 76 ASP HA A 78 VAL H 1.0 0.0 4.0 545 423 A 48 ASP HA A 50 GLY H 1.0 0.0 5.0 546 424 A 79 ASN HA A 78 VAL HGx% 1.0 0.0 5.0 547 425 A 48 ASP HA A 44 ILE HG2% 1.0 0.0 3.0 548 426 A 48 ASP HA A 44 ILE HB 1.0 0.0 4.0 549 427 A 82 TYR HE% A 72 ILE HG2% 1.0 0.0 4.0 550 428 A 73 HIS HD2 A 72 ILE HG2% 1.0 0.0 6.0 551 429 A 92 LEU HBx A 96 ILE HG2% 1.0 0.0 6.0 552 430 A 47 GLY HAx A 44 ILE HG2% 1.0 0.0 4.0 553 431 A 53 THR HG2% A 48 ASP HA 1.0 0.0 4.0 554 432 A 96 ILE HG2% A 124 LYS H 1.0 0.0 6.0 555 433 A 44 ILE HA A 54 ILE HG2% 1.0 0.0 6.0 556 434 A 57 ILE HG2% A 39 VAL HB 1.0 0.0 4.0 557 435 A 57 ILE HG2% A 67 TYR HBx 1.0 0.0 6.0 558 436 A 57 ILE HG2% A 67 TYR HA 1.0 0.0 6.0 559 437 A 57 ILE HG2% A 55 LYS HBx 1.0 0.0 6.0 560 437 A 57 ILE HG2% A 55 LYS HBy 1.0 0.0 6.0 561 438 A 57 ILE HG2% A 42 ALA HB% 1.0 0.0 4.0 562 439 A 91 ALA HA A 96 ILE HD1% 1.0 0.0 6.0 563 440 A 58 THR HB A 57 ILE HG2% 1.0 0.0 6.0 564 441 A 144 LEU HDy% A 141 ALA HB% 1.0 0.0 6.0 565 442 A 136 ALA HB% A 134 VAL HGx% 1.0 0.0 6.0 566 443 A 24 VAL HGx% A 75 ILE HG2% 1.0 0.0 5.0 567 444 A 75 ILE HG1x A 75 ILE HG2% 1.0 0.0 3.0 568 445 A 44 ILE HG2% A 45 LEU H 1.0 0.0 3.0 569 446 A 77 LYS H A 75 ILE HG2% 1.0 0.0 6.0 570 447 A 24 VAL HGy% A 75 ILE HG2% 1.0 0.0 4.0 571 448 A 75 ILE HG2% A 24 VAL HB 1.0 0.0 6.0 572 449 A 82 TYR HD% A 75 ILE HG2% 1.0 0.0 3.0 573 450 A 53 THR HG2% A 44 ILE HG2% 1.0 0.0 3.0 574 451 A 46 GLU H A 44 ILE HG2% 1.0 0.0 3.0 575 452 A 145 PHE HD% A 142 ALA HB% 1.0 0.0 5.0 576 453 A 45 LEU HA A 44 ILE HG2% 1.0 0.0 5.0 577 454 A 91 ALA HA A 92 LEU HDy% 1.0 0.0 5.0 578 455 A 68 VAL HGx% A 91 ALA HA 1.0 0.0 6.0 579 456 A 91 ALA HA A 90 ASP HBy 1.0 0.0 5.0 580 457 A 33 LYS H A 34 ILE HG2% 1.0 0.0 6.0 581 458 A 29 ASN HA A 31 ILE HG2% 1.0 0.0 6.0 582 459 A 31 ILE HG2% A 30 LEU H 1.0 0.0 6.0 583 460 A 148 ILE HA A 34 ILE HG2% 1.0 0.0 6.0 584 461 A 151 TYR HD% A 34 ILE HG2% 1.0 0.0 6.0 585 462 A 22 ALA HA A 26 ASP HA 1.0 0.0 5.0 586 463 A 31 ILE HG2% A 35 ALA H 1.0 0.0 5.0 587 464 A 28 ASP HA A 31 ILE HG2% 1.0 0.0 6.0 588 465 A 87 ILE HG2% A 69 LYS HA 1.0 0.0 6.0 589 466 A 38 ALA HA A 35 ALA HB% 1.0 0.0 5.0 590 467 A 108 ALA HB% A 113 THR H 1.0 0.0 6.0 591 468 A 111 GLY H A 108 ALA HB% 1.0 0.0 4.0 592 469 A 114 ILE H A 108 ALA HB% 1.0 0.0 5.0 593 470 A 87 ILE HG2% A 88 GLU HA 1.0 0.0 4.0 594 471 A 113 THR HA A 108 ALA HB% 1.0 0.0 5.0 595 472 A 108 ALA HB% A 110 HIS HA 1.0 0.0 6.0 596 473 A 35 ALA HB% A 32 PRO HBx 1.0 0.0 6.0 597 473 A 32 PRO HBy A 35 ALA HB% 1.0 0.0 6.0 598 474 A 88 GLU H A 87 ILE HG2% 1.0 0.0 3.0 599 475 A 87 ILE HG2% A 70 HIS HA 1.0 0.0 6.0 600 476 A 29 ASN HA A 32 PRO HGx 1.0 0.0 4.0 601 476 A 32 PRO HGy A 29 ASN HA 1.0 0.0 4.0 602 477 A 95 ASN HA A 124 LYS H 1.0 0.0 6.0 603 478 A 57 ILE HD1% A 68 VAL HGy% 1.0 0.0 4.0 604 479 A 59 PHE HD% A 68 VAL HGy% 1.0 0.0 6.0 605 480 A 44 ILE HA A 55 LYS HA 1.0 0.0 4.0 606 481 A 108 ALA HB% A 110 HIS HBx 1.0 0.0 5.0 607 482 A 95 ASN HA A 127 VAL H 1.0 0.0 6.0 608 483 A 71 LYS HA A 55 LYS HDx 1.0 0.0 6.0 609 484 A 95 ASN HA A 125 GLY H 1.0 0.0 6.0 610 485 A 55 LYS HA A 45 LEU H 1.0 0.0 4.0 611 486 A 27 ALA HB% A 29 ASN H 1.0 0.0 5.0 612 487 A 95 ASN HA A 96 ILE HG1x 1.0 0.0 5.0 613 487 A 95 ASN HA A 96 ILE HG1y 1.0 0.0 5.0 614 488 A 90 ASP HBy A 91 ALA HB% 1.0 0.0 5.0 615 489 A 86 LEU HDy% A 91 ALA HB% 1.0 0.0 5.0 616 490 A 37 GLN H A 35 ALA HB% 1.0 0.0 5.0 617 491 A 34 ILE HD1% A 35 ALA HB% 1.0 0.0 5.0 618 492 A 23 PHE HD% A 27 ALA HB% 1.0 0.0 5.0 619 493 A 33 LYS H A 35 ALA HB% 1.0 0.0 6.0 620 494 A 90 ASP HBx A 91 ALA HB% 1.0 0.0 5.0 621 495 A 72 ILE HB A 71 LYS HA 1.0 0.0 5.0 622 496 A 123 THR HG2% A 126 ASP HA 1.0 0.0 6.0 623 497 A 43 GLU HA A 41 CYS HBx 1.0 0.0 6.0 624 497 A 41 CYS HBy A 43 GLU HA 1.0 0.0 6.0 625 498 A 9 GLU HA A 114 ILE HG2% 1.0 0.0 4.0 626 499 A 59 PHE HD% A 38 ALA HB% 1.0 0.0 5.0 627 500 A 38 ALA HB% A 36 PRO HDy 1.0 0.0 6.0 628 501 A 136 ALA HA A 135 LYS HEx 1.0 0.0 6.0 629 501 A 136 ALA HA A 135 LYS HEy 1.0 0.0 6.0 630 502 A 9 GLU HA A 117 THR H 1.0 0.0 4.0 631 503 A 38 ALA HB% A 35 ALA HB% 1.0 0.0 3.0 632 504 A 9 GLU HA A 116 LYS HDx 1.0 0.0 5.0 633 504 A 9 GLU HA A 116 LYS HDy 1.0 0.0 5.0 634 505 A 9 GLU HA A 116 LYS HA 1.0 0.0 3.0 635 506 A 38 ALA HB% A 39 VAL H 1.0 0.0 3.0 636 507 A 9 GLU HA A 116 LYS HEx 1.0 0.0 5.0 637 507 A 9 GLU HA A 116 LYS HEy 1.0 0.0 5.0 638 508 A 38 ALA HB% A 37 GLN H 1.0 0.0 5.0 639 509 A 7 GLU HA A 5 THR HG2% 1.0 0.0 5.0 640 510 A 38 ALA HB% A 35 ALA H 1.0 0.0 5.0 641 511 A 24 VAL HGy% A 103 THR HG2% 1.0 0.0 6.0 642 512 A 75 ILE HB A 82 TYR HA 1.0 0.0 4.0 643 513 A 24 VAL HGy% A 75 ILE HB 1.0 0.0 4.0 644 514 A 7 GLU HA A 118 THR HG2% 1.0 0.0 3.0 645 515 A 7 GLU HA A 117 THR HG2% 1.0 0.0 6.0 646 516 A 38 ALA HB% A 36 PRO HBx 1.0 0.0 6.0 647 516 A 38 ALA HB% A 36 PRO HBy 1.0 0.0 6.0 648 517 A 13 ASP HA A 149 GLU HGx 1.0 0.0 6.0 649 518 A 145 PHE HD% A 142 ALA HA 1.0 0.0 5.0 650 519 A 118 THR H A 7 GLU HA 1.0 0.0 5.0 651 520 A 136 ALA HA A 139 GLU HBx 1.0 0.0 4.0 652 520 A 136 ALA HA A 139 GLU HBy 1.0 0.0 4.0 653 521 A 136 ALA HA A 139 GLU HGx 1.0 0.0 5.0 654 521 A 136 ALA HA A 139 GLU HGy 1.0 0.0 5.0 655 522 A 69 LYS HA A 56 LYS HGx 1.0 0.0 4.0 656 522 A 69 LYS HA A 56 LYS HGy 1.0 0.0 4.0 657 523 A 82 TYR HE% A 82 TYR HA 1.0 0.0 5.0 658 524 A 5 THR HB A 120 LYS HA 1.0 0.0 6.0 659 525 A 148 ILE HA A 22 ALA HB% 1.0 0.0 6.0 660 526 A 145 PHE HD% A 115 ILE HG2% 1.0 0.0 6.0 661 527 A 116 LYS HA A 117 THR H 1.0 0.0 3.0 662 528 A 129 ILE HB A 128 GLU HA 1.0 0.0 5.0 663 529 A 99 ILE HA A 120 LYS HA 1.0 0.0 6.0 664 530 A 22 ALA HA A 24 VAL H 1.0 0.0 6.0 665 531 A 22 ALA HA A 25 LEU H 1.0 0.0 6.0 666 532 A 86 LEU HBy A 98 LYS HA 1.0 0.0 5.0 667 533 A 128 GLU HA A 129 ILE H 1.0 0.0 3.0 668 534 A 116 LYS HA A 106 VAL HGy% 1.0 0.0 6.0 669 535 A 134 VAL HGy% A 133 HIS HBx 1.0 0.0 4.0 670 535 A 133 HIS HBy A 134 VAL HGy% 1.0 0.0 4.0 671 536 A 114 ILE H A 106 VAL HGx% 1.0 0.0 6.0 672 537 A 102 GLU HA A 83 SER HA 1.0 0.0 3.0 673 538 A 10 PHE HA A 11 THR H 1.0 0.0 3.0 674 539 A 86 LEU HA A 70 HIS HA 1.0 0.0 6.0 675 540 A 118 THR HB A 102 GLU HA 1.0 0.0 6.0 676 541 A 131 GLU HA A 134 VAL HGy% 1.0 0.0 4.0 677 542 A 134 VAL HGy% A 134 VAL H 1.0 0.0 3.0 678 543 A 54 ILE HB A 46 GLU HA 1.0 0.0 6.0 679 544 A 53 THR HG2% A 46 GLU HA 1.0 0.0 5.0 680 545 A 47 GLY H A 46 GLU HA 1.0 0.0 3.0 681 546 A 99 ILE H A 98 LYS HA 1.0 0.0 3.0 682 547 A 106 VAL HGx% A 107 SER HBx 1.0 0.0 5.0 683 548 A 123 THR HG2% A 3 VAL HGy% 1.0 0.0 5.0 684 549 A 119 SER HA A 6 TYR HBx 1.0 0.0 6.0 685 549 A 6 TYR HBy A 119 SER HA 1.0 0.0 6.0 686 550 A 81 THR HG2% A 102 GLU HA 1.0 0.0 6.0 687 551 A 123 THR HG2% A 3 VAL HGx% 1.0 0.0 6.0 688 552 A 59 PHE HA A 39 VAL HGy% 1.0 0.0 5.0 689 553 A 24 VAL HGx% A 82 TYR HE% 1.0 0.0 4.0 690 554 A 48 ASP H A 46 GLU HA 1.0 0.0 4.0 691 555 A 54 ILE HB A 45 LEU HA 1.0 0.0 5.0 692 556 A 59 PHE H A 67 TYR HA 1.0 0.0 4.0 693 557 A 121 TYR HD% A 3 VAL HGx% 1.0 0.0 6.0 694 558 A 24 VAL HGx% A 23 PHE HD% 1.0 0.0 4.0 695 559 A 68 VAL HGx% A 67 TYR HA 1.0 0.0 4.0 696 560 A 3 VAL HGx% A 120 LYS HBy 1.0 0.0 6.0 697 561 A 97 GLU HA A 124 LYS H 1.0 0.0 6.0 698 562 A 99 ILE HA A 3 VAL HGx% 1.0 0.0 6.0 699 563 A 123 THR H A 3 VAL HGx% 1.0 0.0 6.0 700 564 A 39 VAL HGx% A 57 ILE HD1% 1.0 0.0 6.0 701 565 A 59 PHE HD% A 67 TYR HA 1.0 0.0 4.0 702 566 A 59 PHE HD% A 39 VAL HGy% 1.0 0.0 6.0 703 567 A 27 ALA HA A 31 ILE H 1.0 0.0 6.0 704 568 A 27 ALA HA A 31 ILE HD1% 1.0 0.0 6.0 705 569 A 39 VAL HGx% A 59 PHE HA 1.0 0.0 6.0 706 570 A 39 VAL HGx% A 42 ALA HB% 1.0 0.0 6.0 707 571 A 39 VAL HGx% A 59 PHE HD% 1.0 0.0 6.0 708 572 A 39 VAL HGx% A 59 PHE HBx 1.0 0.0 6.0 709 572 A 39 VAL HGx% A 59 PHE HBy 1.0 0.0 6.0 710 573 A 83 SER HA A 102 GLU HBx 1.0 0.0 5.0 711 573 A 102 GLU HBy A 83 SER HA 1.0 0.0 5.0 712 574 A 53 THR HG2% A 50 GLY H 1.0 0.0 5.0 713 575 A 52 GLY H A 53 THR HG2% 1.0 0.0 6.0 714 576 A 46 GLU H A 53 THR HG2% 1.0 0.0 4.0 715 577 A 53 THR HG2% A 45 LEU H 1.0 0.0 5.0 716 578 A 47 GLY HAx A 53 THR HG2% 1.0 0.0 5.0 717 579 A 83 SER HA A 103 THR H 1.0 0.0 4.0 718 580 A 84 TYR HA A 73 HIS HD2 1.0 0.0 4.0 719 581 A 83 SER HA A 84 TYR H 1.0 0.0 3.0 720 582 A 84 TYR HA A 73 HIS HBx 1.0 0.0 4.0 721 582 A 84 TYR HA A 73 HIS HBy 1.0 0.0 4.0 722 583 A 53 THR HG2% A 55 LYS HEx 1.0 0.0 4.0 723 583 A 55 LYS HEy A 53 THR HG2% 1.0 0.0 4.0 724 584 A 59 PHE HA A 40 LYS HDx 1.0 0.0 6.0 725 584 A 59 PHE HA A 40 LYS HDy 1.0 0.0 6.0 726 585 A 121 TYR HD% A 5 THR HG2% 1.0 0.0 6.0 727 586 A 81 THR HG2% A 83 SER HA 1.0 0.0 5.0 728 587 A 5 THR HG2% A 3 VAL HGx% 1.0 0.0 6.0 729 588 A 59 PHE HA A 38 ALA HB% 1.0 0.0 6.0 730 589 A 121 TYR HD% A 123 THR HG2% 1.0 0.0 6.0 731 590 A 92 LEU HDx% A 97 GLU HA 1.0 0.0 6.0 732 591 A 81 THR HG2% A 76 ASP HBx 1.0 0.0 5.0 733 592 A 5 THR HG2% A 120 LYS HDx 1.0 0.0 4.0 734 592 A 120 LYS HDy A 5 THR HG2% 1.0 0.0 4.0 735 593 A 41 CYS HA A 32 PRO HGx 1.0 0.0 5.0 736 593 A 32 PRO HGy A 41 CYS HA 1.0 0.0 5.0 737 594 A 145 PHE HD% A 103 THR HG2% 1.0 0.0 5.0 738 595 A 73 HIS HA A 52 GLY HAx 1.0 0.0 4.0 739 595 A 73 HIS HA A 52 GLY HAy 1.0 0.0 4.0 740 596 A 67 TYR HD% A 58 THR HG2% 1.0 0.0 6.0 741 597 A 117 THR H A 103 THR HG2% 1.0 0.0 6.0 742 598 A 118 THR HG2% A 5 THR HG2% 1.0 0.0 3.0 743 599 A 68 VAL H A 58 THR HG2% 1.0 0.0 6.0 744 600 A 101 TYR HA A 101 TYR HD1 1.0 0.0 3.0 745 600 A 101 TYR HA A 101 TYR HD2 1.0 0.0 3.0 746 601 A 73 HIS HA A 72 ILE HG2% 1.0 0.0 5.0 747 602 A 52 GLY H A 73 HIS HA 1.0 0.0 4.0 748 603 A 42 ALA HB% A 28 ASP H 1.0 0.0 6.0 749 604 A 102 GLU H A 101 TYR HA 1.0 0.0 3.0 750 605 A 68 VAL HGx% A 90 ASP HA 1.0 0.0 5.0 751 606 A 28 ASP HA A 42 ALA HB% 1.0 0.0 4.0 752 607 A 42 ALA HB% A 28 ASP HBx 1.0 0.0 4.0 753 607 A 28 ASP HBy A 42 ALA HB% 1.0 0.0 4.0 754 608 A 57 ILE HD1% A 42 ALA HB% 1.0 0.0 4.0 755 609 A 42 ALA HB% A 32 PRO HBx 1.0 0.0 5.0 756 609 A 32 PRO HBy A 42 ALA HB% 1.0 0.0 5.0 757 610 A 123 THR HG2% A 121 TYR HBx 1.0 0.0 6.0 758 611 A 92 LEU H A 90 ASP HA 1.0 0.0 5.0 759 612 A 67 TYR H A 90 ASP HA 1.0 0.0 5.0 760 613 A 147 LEU HDx% A 144 LEU H 1.0 0.0 6.0 761 614 A 147 LEU HDx% A 144 LEU HBx 1.0 0.0 5.0 762 614 A 144 LEU HBy A 147 LEU HDx% 1.0 0.0 5.0 763 615 A 82 TYR HBy A 103 THR HG2% 1.0 0.0 6.0 764 616 A 93 SER HA A 96 ILE H 1.0 0.0 5.0 765 617 A 93 SER HA A 89 GLY H 1.0 0.0 6.0 766 618 A 5 THR H A 4 TYR HA 1.0 0.0 3.0 767 619 A 151 TYR HA A 147 LEU HDy% 1.0 0.0 6.0 768 620 A 24 VAL HGy% A 77 LYS HA 1.0 0.0 5.0 769 621 A 99 ILE HA A 85 SER HA 1.0 0.0 6.0 770 622 A 93 SER HA A 94 GLU HGx 1.0 0.0 4.0 771 622 A 93 SER HA A 94 GLU HGy 1.0 0.0 4.0 772 623 A 14 ILE HA A 15 PRO HDx 1.0 0.0 3.0 773 624 A 146 LYS HA A 147 LEU HDy% 1.0 0.0 6.0 774 625 A 19 LEU HA A 23 PHE HD% 1.0 0.0 6.0 775 626 A 19 LEU HA A 22 ALA H 1.0 0.0 6.0 776 627 A 77 LYS HA A 80 HIS HD2 1.0 0.0 5.0 777 628 A 24 VAL HGy% A 25 LEU HA 1.0 0.0 5.0 778 629 A 146 LYS HBy A 144 LEU HA 1.0 0.0 6.0 779 630 A 144 LEU HA A 147 LEU HBx 1.0 0.0 6.0 780 630 A 147 LEU HBy A 144 LEU HA 1.0 0.0 6.0 781 631 A 93 SER H A 93 SER HA 1.0 0.0 3.0 782 632 A 77 LYS HA A 79 ASN H 1.0 0.0 5.0 783 633 A 30 LEU HA A 29 ASN H 1.0 0.0 5.0 784 634 A 151 TYR HA A 152 LEU HDy% 1.0 0.0 6.0 785 635 A 49 GLY HAx A 25 LEU HA 1.0 0.0 6.0 786 636 A 99 ILE HG2% A 92 LEU HDy% 1.0 0.0 6.0 787 637 A 86 LEU HDy% A 92 LEU HDy% 1.0 0.0 3.0 788 638 A 74 SER HA A 75 ILE H 1.0 0.0 3.0 789 639 A 93 SER H A 92 LEU HDy% 1.0 0.0 4.0 790 640 A 74 SER HA A 75 ILE HG1x 1.0 0.0 6.0 791 641 A 92 LEU HDy% A 89 GLY H 1.0 0.0 5.0 792 642 A 74 SER HA A 75 ILE HG2% 1.0 0.0 4.0 793 643 A 23 PHE HA A 27 ALA HB% 1.0 0.0 4.0 794 644 A 99 ILE HG1x A 92 LEU HDy% 1.0 0.0 5.0 795 645 A 92 LEU HDy% A 90 ASP H 1.0 0.0 6.0 796 646 A 133 HIS HA A 129 ILE HG1x 1.0 0.0 6.0 797 646 A 133 HIS HA A 129 ILE HG1y 1.0 0.0 6.0 798 647 A 33 LYS HA A 35 ALA H 1.0 0.0 5.0 799 648 A 115 ILE HD1% A 19 LEU HDx% 1.0 0.0 5.0 800 649 A 113 THR HG2% A 20 PHE HBx 1.0 0.0 6.0 801 649 A 20 PHE HBy A 113 THR HG2% 1.0 0.0 6.0 802 650 A 145 PHE HD% A 19 LEU HDx% 1.0 0.0 5.0 803 651 A 145 PHE HE% A 19 LEU HDx% 1.0 0.0 6.0 804 652 A 105 LEU HA A 19 LEU HDx% 1.0 0.0 6.0 805 653 A 136 ALA HB% A 133 HIS HA 1.0 0.0 3.0 806 654 A 68 VAL HGx% A 89 GLY HAx 1.0 0.0 3.0 807 654 A 68 VAL HGx% A 89 GLY HAy 1.0 0.0 3.0 808 655 A 23 PHE H A 19 LEU HDx% 1.0 0.0 6.0 809 656 A 23 PHE HBx A 19 LEU HDx% 1.0 0.0 6.0 810 657 A 11 THR HB A 113 THR HG2% 1.0 0.0 6.0 811 658 A 12 SER HBx A 113 THR HG2% 1.0 0.0 6.0 812 659 A 23 PHE HD% A 19 LEU HDx% 1.0 0.0 5.0 813 660 A 12 SER HBy A 113 THR HG2% 1.0 0.0 6.0 814 661 A 68 VAL HGx% A 66 GLY HAy 1.0 0.0 6.0 815 662 A 68 VAL HGx% A 88 GLU HA 1.0 0.0 6.0 816 663 A 14 ILE HG2% A 18 LYS HA 1.0 0.0 5.0 817 664 A 22 ALA HA A 25 LEU HDx% 1.0 0.0 6.0 818 665 A 59 PHE HD% A 68 VAL HGx% 1.0 0.0 4.0 819 666 A 144 LEU HDy% A 34 ILE HG2% 1.0 0.0 5.0 820 667 A 68 VAL HGx% A 67 TYR HD% 1.0 0.0 5.0 821 668 A 115 ILE HD1% A 113 THR HG2% 1.0 0.0 4.0 822 669 A 68 VAL HGx% A 90 ASP H 1.0 0.0 3.0 823 670 A 12 SER H A 19 LEU HDx% 1.0 0.0 6.0 824 671 A 86 LEU HDy% A 68 VAL HGx% 1.0 0.0 4.0 825 672 A 68 VAL HGx% A 92 LEU HBy 1.0 0.0 6.0 826 673 A 68 VAL HGx% A 91 ALA H 1.0 0.0 4.0 827 674 A 46 GLU HA A 45 LEU HDx% 1.0 0.0 6.0 828 675 A 68 VAL HA A 90 ASP H 1.0 0.0 4.0 829 676 A 16 ALA H A 113 THR HG2% 1.0 0.0 5.0 830 677 A 18 LYS HA A 17 PRO HDx 1.0 0.0 6.0 831 677 A 17 PRO HDy A 18 LYS HA 1.0 0.0 6.0 832 678 A 129 ILE HA A 130 LYS H 1.0 0.0 3.0 833 679 A 146 LYS HBy A 143 HIS HA 1.0 0.0 4.0 834 680 A 23 PHE HD% A 19 LEU HDy% 1.0 0.0 6.0 835 681 A 115 ILE HD1% A 19 LEU HDy% 1.0 0.0 6.0 836 682 A 68 VAL HA A 88 GLU HA 1.0 0.0 6.0 837 683 A 68 VAL HA A 67 TYR HD% 1.0 0.0 4.0 838 684 A 68 VAL HA A 69 LYS H 1.0 0.0 3.0 839 685 A 138 LYS HA A 141 ALA H 1.0 0.0 4.0 840 686 A 131 GLU HA A 134 VAL HGx% 1.0 0.0 5.0 841 687 A 54 ILE H A 45 LEU HDy% 1.0 0.0 6.0 842 688 A 107 SER HA A 113 THR H 1.0 0.0 5.0 843 689 A 106 VAL HA A 105 LEU HDx% 1.0 0.0 6.0 844 690 A 54 ILE HA A 71 LYS HA 1.0 0.0 3.0 845 691 A 54 ILE HA A 55 LYS HDx 1.0 0.0 6.0 846 692 A 54 ILE HA A 55 LYS H 1.0 0.0 3.0 847 693 A 54 ILE HA A 72 ILE HG1x 1.0 0.0 5.0 848 693 A 72 ILE HG1y A 54 ILE HA 1.0 0.0 5.0 849 694 A 108 ALA H A 107 SER HA 1.0 0.0 3.0 850 695 A 113 THR HA A 107 SER HA 1.0 0.0 4.0 851 696 A 114 ILE H A 107 SER HA 1.0 0.0 4.0 852 697 A 104 LYS HGy A 81 THR HB 1.0 0.0 6.0 853 698 A 124 LYS H A 123 THR HA 1.0 0.0 3.0 854 699 A 69 LYS H A 56 LYS HGx 1.0 0.0 6.0 855 699 A 56 LYS HGy A 69 LYS H 1.0 0.0 6.0 856 700 A 81 THR HA A 105 LEU H 1.0 0.0 4.0 857 701 A 138 LYS HA A 142 ALA H 1.0 0.0 5.0 858 702 A 104 LYS HGy A 81 THR H 1.0 0.0 6.0 859 703 A 41 CYS H A 40 LYS HGx 1.0 0.0 4.0 860 703 A 40 LYS HGy A 41 CYS H 1.0 0.0 4.0 861 704 A 67 TYR HD% A 69 LYS HGx 1.0 0.0 6.0 862 704 A 67 TYR HD% A 69 LYS HGy 1.0 0.0 6.0 863 705 A 67 TYR HA A 56 LYS HGx 1.0 0.0 6.0 864 705 A 67 TYR HA A 56 LYS HGy 1.0 0.0 6.0 865 706 A 103 THR HB A 105 LEU HDy% 1.0 0.0 5.0 866 707 A 112 GLY HAx A 107 SER HA 1.0 0.0 6.0 867 708 A 58 THR HB A 56 LYS HGx 1.0 0.0 6.0 868 708 A 58 THR HB A 56 LYS HGy 1.0 0.0 6.0 869 709 A 105 LEU HDy% A 16 ALA HA 1.0 0.0 4.0 870 710 A 113 THR HB A 105 LEU HDy% 1.0 0.0 6.0 871 711 A 105 LEU HDy% A 82 TYR H 1.0 0.0 6.0 872 712 A 82 TYR H A 81 THR HA 1.0 0.0 3.0 873 713 A 81 THR HA A 104 LYS HEx 1.0 0.0 6.0 874 713 A 104 LYS HEy A 81 THR HA 1.0 0.0 6.0 875 714 A 104 LYS HGx A 116 LYS H 1.0 0.0 6.0 876 715 A 104 LYS HBy A 81 THR HA 1.0 0.0 5.0 877 716 A 123 THR HA A 124 LYS HBx 1.0 0.0 5.0 878 716 A 123 THR HA A 124 LYS HBy 1.0 0.0 5.0 879 717 A 104 LYS HBx A 105 LEU HDy% 1.0 0.0 6.0 880 718 A 123 THR HA A 124 LYS HDx 1.0 0.0 6.0 881 718 A 123 THR HA A 124 LYS HDy 1.0 0.0 6.0 882 719 A 105 LEU HDy% A 19 LEU HBx 1.0 0.0 4.0 883 719 A 105 LEU HDy% A 19 LEU HBy 1.0 0.0 4.0 884 720 A 21 LYS HA A 25 LEU HG 1.0 0.0 6.0 885 721 A 114 ILE HD1% A 107 SER HA 1.0 0.0 5.0 886 722 A 68 VAL HGy% A 69 LYS HGx 1.0 0.0 6.0 887 722 A 68 VAL HGy% A 69 LYS HGy 1.0 0.0 6.0 888 723 A 68 VAL H A 69 LYS HGx 1.0 0.0 6.0 889 723 A 68 VAL H A 69 LYS HGy 1.0 0.0 6.0 890 724 A 50 GLY H A 48 ASP HBx 1.0 0.0 6.0 891 725 A 47 GLY HAx A 50 GLY H 1.0 0.0 6.0 892 726 A 72 ILE HB A 50 GLY H 1.0 0.0 6.0 893 727 A 48 ASP HBy A 50 GLY H 1.0 0.0 6.0 894 728 A 112 GLY H A 110 HIS HBy 1.0 0.0 6.0 895 729 A 108 ALA HB% A 112 GLY H 1.0 0.0 4.0 896 730 A 110 HIS HA A 112 GLY H 1.0 0.0 5.0 897 731 A 110 HIS HBx A 112 GLY H 1.0 0.0 6.0 898 732 A 108 ALA H A 112 GLY H 1.0 0.0 6.0 899 733 A 42 ALA HB% A 57 ILE H 1.0 0.0 6.0 900 734 A 69 LYS HA A 57 ILE H 1.0 0.0 6.0 901 735 A 111 GLY H A 112 GLY HAx 1.0 0.0 5.0 902 736 A 111 GLY H A 112 GLY H 1.0 0.0 3.0 903 737 A 68 VAL HB A 57 ILE H 1.0 0.0 6.0 904 738 A 111 GLY H A 110 HIS HBx 1.0 0.0 4.0 905 739 A 108 ALA H A 111 GLY H 1.0 0.0 5.0 906 740 A 81 THR H A 77 LYS HA 1.0 0.0 5.0 907 741 A 79 ASN HBx A 81 THR H 1.0 0.0 5.0 908 742 A 105 LEU HDx% A 81 THR H 1.0 0.0 6.0 909 743 A 81 THR H A 79 ASN H 1.0 0.0 4.0 910 744 A 81 THR H A 105 LEU HBx 1.0 0.0 6.0 911 744 A 105 LEU HBy A 81 THR H 1.0 0.0 6.0 912 745 A 81 THR H A 76 ASP H 1.0 0.0 4.0 913 746 A 79 ASN HA A 81 THR H 1.0 0.0 5.0 914 747 A 80 HIS H A 81 THR H 1.0 0.0 3.0 915 748 A 81 THR H A 75 ILE HB 1.0 0.0 6.0 916 749 A 75 ILE HA A 81 THR H 1.0 0.0 6.0 917 750 A 81 THR H A 76 ASP HA 1.0 0.0 5.0 918 751 A 22 ALA H A 23 PHE H 1.0 0.0 4.0 919 752 A 24 VAL HGx% A 23 PHE H 1.0 0.0 5.0 920 753 A 20 PHE H A 23 PHE H 1.0 0.0 6.0 921 754 A 123 THR HG2% A 125 GLY H 1.0 0.0 5.0 922 755 A 23 PHE H A 26 ASP H 1.0 0.0 6.0 923 756 A 125 GLY H A 126 ASP HBy 1.0 0.0 6.0 924 757 A 123 THR HB A 125 GLY H 1.0 0.0 4.0 925 758 A 125 GLY H A 124 LYS H 1.0 0.0 4.0 926 759 A 47 GLY H A 48 ASP H 1.0 0.0 4.0 927 760 A 53 THR HG2% A 47 GLY H 1.0 0.0 5.0 928 761 A 49 GLY H A 47 GLY H 1.0 0.0 6.0 929 762 A 74 SER H A 82 TYR HE% 1.0 0.0 6.0 930 763 A 74 SER H A 73 HIS HBx 1.0 0.0 3.0 931 763 A 74 SER H A 73 HIS HBy 1.0 0.0 3.0 932 764 A 74 SER H A 84 TYR HA 1.0 0.0 5.0 933 765 A 49 GLY H A 53 THR HG2% 1.0 0.0 3.0 934 766 A 49 GLY H A 50 GLY H 1.0 0.0 3.0 935 767 A 49 GLY H A 47 GLY HAx 1.0 0.0 4.0 936 768 A 74 SER H A 73 HIS HD2 1.0 0.0 5.0 937 769 A 74 SER H A 84 TYR HBy 1.0 0.0 6.0 938 770 A 49 GLY H A 72 ILE HB 1.0 0.0 6.0 939 771 A 49 GLY H A 72 ILE HD1% 1.0 0.0 5.0 940 772 A 87 ILE HG2% A 89 GLY H 1.0 0.0 6.0 941 773 A 88 GLU HA A 89 GLY H 1.0 0.0 3.0 942 774 A 92 LEU HBx A 89 GLY H 1.0 0.0 5.0 943 775 A 68 VAL H A 58 THR HA 1.0 0.0 4.0 944 776 A 57 ILE HB A 68 VAL H 1.0 0.0 4.0 945 777 A 37 GLN H A 37 GLN HE21 1.0 0.0 6.0 946 778 A 68 VAL H A 57 ILE HD1% 1.0 0.0 5.0 947 779 A 68 VAL H A 67 TYR HA 1.0 0.0 3.0 948 780 A 59 PHE HD% A 68 VAL H 1.0 0.0 4.0 949 781 A 68 VAL H A 57 ILE H 1.0 0.0 4.0 950 782 A 34 ILE H A 34 ILE HG1x 1.0 0.0 4.0 951 783 A 34 ILE H A 32 PRO HA 1.0 0.0 5.0 952 784 A 34 ILE H A 35 ALA H 1.0 0.0 3.0 953 785 A 39 VAL HGx% A 41 CYS H 1.0 0.0 5.0 954 786 A 40 LYS H A 41 CYS H 1.0 0.0 3.0 955 787 A 58 THR HG2% A 41 CYS H 1.0 0.0 6.0 956 788 A 59 PHE HA A 41 CYS H 1.0 0.0 6.0 957 789 A 41 CYS H A 40 LYS HBx 1.0 0.0 3.0 958 789 A 40 LYS HBy A 41 CYS H 1.0 0.0 3.0 959 790 A 33 LYS H A 35 ALA H 1.0 0.0 4.0 960 791 A 31 ILE HA A 33 LYS H 1.0 0.0 5.0 961 792 A 95 ASN HD22 A 95 ASN H 1.0 0.0 5.0 962 793 A 33 LYS H A 36 PRO HDx 1.0 0.0 5.0 963 794 A 34 ILE H A 33 LYS H 1.0 0.0 3.0 964 795 A 33 LYS H A 31 ILE HG2% 1.0 0.0 5.0 965 796 A 127 VAL HB A 95 ASN HD22 1.0 0.0 6.0 966 797 A 115 ILE HD1% A 11 THR H 1.0 0.0 6.0 967 798 A 27 ALA HA A 29 ASN H 1.0 0.0 5.0 968 799 A 114 ILE HG2% A 11 THR H 1.0 0.0 5.0 969 800 A 29 ASN H A 31 ILE HD1% 1.0 0.0 5.0 970 801 A 114 ILE HA A 11 THR H 1.0 0.0 5.0 971 802 A 29 ASN H A 26 ASP HA 1.0 0.0 5.0 972 803 A 23 PHE H A 24 VAL H 1.0 0.0 3.0 973 804 A 22 ALA H A 24 VAL H 1.0 0.0 5.0 974 805 A 23 PHE HBx A 24 VAL H 1.0 0.0 4.0 975 806 A 24 VAL HGx% A 24 VAL H 1.0 0.0 3.0 976 807 A 27 ALA HB% A 24 VAL H 1.0 0.0 5.0 977 808 A 93 SER HA A 95 ASN H 1.0 0.0 5.0 978 809 A 92 LEU HBx A 95 ASN H 1.0 0.0 6.0 979 810 A 96 ILE H A 95 ASN H 1.0 0.0 4.0 980 811 A 73 HIS HD2 A 85 SER H 1.0 0.0 4.0 981 812 A 85 SER H A 71 LYS HBx 1.0 0.0 5.0 982 813 A 72 ILE HA A 85 SER H 1.0 0.0 4.0 983 814 A 72 ILE HD1% A 85 SER H 1.0 0.0 6.0 984 815 A 85 SER H A 72 ILE HG1x 1.0 0.0 5.0 985 815 A 72 ILE HG1y A 85 SER H 1.0 0.0 5.0 986 816 A 52 GLY H A 72 ILE HG1x 1.0 0.0 6.0 987 816 A 72 ILE HG1y A 52 GLY H 1.0 0.0 6.0 988 817 A 74 SER HA A 52 GLY H 1.0 0.0 5.0 989 818 A 52 GLY H A 53 THR H 1.0 0.0 3.0 990 819 A 76 ASP HBy A 79 ASN H 1.0 0.0 5.0 991 820 A 52 GLY H A 71 LYS HDx 1.0 0.0 6.0 992 820 A 71 LYS HDy A 52 GLY H 1.0 0.0 6.0 993 821 A 79 ASN H A 77 LYS HGx 1.0 0.0 6.0 994 821 A 79 ASN H A 77 LYS HGy 1.0 0.0 6.0 995 822 A 77 LYS H A 79 ASN H 1.0 0.0 5.0 996 823 A 78 VAL H A 79 ASN H 1.0 0.0 3.0 997 824 A 78 VAL HB A 79 ASN H 1.0 0.0 3.0 998 825 A 79 ASN H A 79 ASN HD21 1.0 0.0 4.0 999 826 A 76 ASP HA A 79 ASN H 1.0 0.0 5.0 1000 827 A 79 ASN H A 76 ASP H 1.0 0.0 6.0 1001 828 A 28 ASP H A 30 LEU HBx 1.0 0.0 5.0 1002 828 A 30 LEU HBy A 28 ASP H 1.0 0.0 5.0 1003 829 A 29 ASN H A 28 ASP H 1.0 0.0 3.0 1004 830 A 31 ILE H A 28 ASP H 1.0 0.0 5.0 1005 831 A 28 ASP H A 29 ASN HBx 1.0 0.0 5.0 1006 831 A 29 ASN HBy A 28 ASP H 1.0 0.0 5.0 1007 832 A 26 ASP HA A 28 ASP H 1.0 0.0 5.0 1008 833 A 47 GLY HAx A 48 ASP H 1.0 0.0 3.0 1009 834 A 48 ASP H A 50 GLY H 1.0 0.0 5.0 1010 835 A 53 THR HG2% A 48 ASP H 1.0 0.0 4.0 1011 836 A 48 ASP H A 46 GLU HBy 1.0 0.0 6.0 1012 837 A 49 GLY H A 48 ASP H 1.0 0.0 3.0 1013 838 A 59 PHE HD% A 67 TYR H 1.0 0.0 5.0 1014 839 A 67 TYR H A 67 TYR HD% 1.0 0.0 3.0 1015 840 A 59 PHE H A 67 TYR H 1.0 0.0 5.0 1016 841 A 67 TYR H A 58 THR HG2% 1.0 0.0 6.0 1017 842 A 115 ILE H A 12 SER H 1.0 0.0 5.0 1018 843 A 12 SER H A 114 ILE HG2% 1.0 0.0 6.0 1019 844 A 12 SER H A 113 THR HB 1.0 0.0 5.0 1020 845 A 12 SER H A 114 ILE HA 1.0 0.0 5.0 1021 846 A 39 VAL HGy% A 37 GLN H 1.0 0.0 6.0 1022 847 A 37 GLN H A 36 PRO HDx 1.0 0.0 4.0 1023 848 A 38 ALA H A 37 GLN H 1.0 0.0 3.0 1024 849 A 80 HIS H A 76 ASP H 1.0 0.0 6.0 1025 850 A 12 SER H A 149 GLU HGx 1.0 0.0 6.0 1026 851 A 37 GLN H A 35 ALA H 1.0 0.0 6.0 1027 852 A 80 HIS H A 76 ASP HBx 1.0 0.0 5.0 1028 853 A 80 HIS H A 79 ASN H 1.0 0.0 4.0 1029 854 A 80 HIS H A 76 ASP HBy 1.0 0.0 5.0 1030 855 A 80 HIS H A 105 LEU HBx 1.0 0.0 6.0 1031 855 A 105 LEU HBy A 80 HIS H 1.0 0.0 6.0 1032 856 A 80 HIS H A 78 VAL HB 1.0 0.0 5.0 1033 857 A 80 HIS H A 77 LYS HGx 1.0 0.0 6.0 1034 857 A 80 HIS H A 77 LYS HGy 1.0 0.0 6.0 1035 858 A 80 HIS H A 20 PHE HD% 1.0 0.0 6.0 1036 859 A 80 HIS H A 80 HIS HD2 1.0 0.0 5.0 1037 860 A 80 HIS H A 77 LYS HA 1.0 0.0 5.0 1038 861 A 80 HIS H A 78 VAL HGx% 1.0 0.0 5.0 1039 862 A 80 HIS H A 76 ASP HA 1.0 0.0 6.0 1040 863 A 31 ILE H A 29 ASN HBx 1.0 0.0 5.0 1041 863 A 29 ASN HBy A 31 ILE H 1.0 0.0 5.0 1042 864 A 93 SER H A 90 ASP H 1.0 0.0 5.0 1043 865 A 92 LEU H A 93 SER H 1.0 0.0 4.0 1044 866 A 33 LYS H A 31 ILE H 1.0 0.0 6.0 1045 867 A 92 LEU HBx A 93 SER H 1.0 0.0 4.0 1046 868 A 86 LEU HA A 87 ILE H 1.0 0.0 3.0 1047 869 A 87 ILE H A 88 GLU H 1.0 0.0 3.0 1048 870 A 93 SER H A 91 ALA HA 1.0 0.0 5.0 1049 871 A 87 ILE H A 70 HIS HA 1.0 0.0 3.0 1050 872 A 25 LEU H A 77 LYS HEx 1.0 0.0 6.0 1051 872 A 77 LYS HEy A 25 LEU H 1.0 0.0 6.0 1052 873 A 25 LEU H A 26 ASP H 1.0 0.0 4.0 1053 874 A 25 LEU H A 21 LYS HBx 1.0 0.0 6.0 1054 874 A 25 LEU H A 21 LYS HBy 1.0 0.0 6.0 1055 875 A 19 LEU H A 18 LYS H 1.0 0.0 4.0 1056 876 A 18 LYS H A 15 PRO HDy 1.0 0.0 5.0 1057 877 A 20 PHE H A 18 LYS H 1.0 0.0 5.0 1058 878 A 15 PRO HA A 18 LYS H 1.0 0.0 5.0 1059 879 A 46 GLU H A 54 ILE H 1.0 0.0 4.0 1060 880 A 46 GLU H A 55 LYS H 1.0 0.0 6.0 1061 881 A 144 LEU H A 145 PHE H 1.0 0.0 4.0 1062 882 A 146 LYS HBy A 145 PHE H 1.0 0.0 6.0 1063 883 A 145 PHE H A 143 HIS HBx 1.0 0.0 5.0 1064 883 A 143 HIS HBy A 145 PHE H 1.0 0.0 5.0 1065 884 A 151 TYR HD% A 155 HIS H 1.0 0.0 6.0 1066 885 A 152 LEU HDy% A 155 HIS H 1.0 0.0 5.0 1067 886 A 155 HIS H A 153 LYS HBx 1.0 0.0 5.0 1068 886 A 153 LYS HBy A 155 HIS H 1.0 0.0 5.0 1069 887 A 153 LYS H A 155 HIS H 1.0 0.0 5.0 1070 888 A 36 PRO HA A 39 VAL H 1.0 0.0 4.0 1071 889 A 59 PHE HA A 39 VAL H 1.0 0.0 6.0 1072 890 A 132 GLU H A 132 GLU HGx 1.0 0.0 3.0 1073 890 A 132 GLU HGy A 132 GLU H 1.0 0.0 3.0 1074 891 A 39 VAL H A 36 PRO HBx 1.0 0.0 6.0 1075 891 A 36 PRO HBy A 39 VAL H 1.0 0.0 6.0 1076 892 A 37 GLN H A 39 VAL H 1.0 0.0 5.0 1077 893 A 92 LEU H A 90 ASP H 1.0 0.0 5.0 1078 894 A 92 LEU H A 90 ASP HBy 1.0 0.0 6.0 1079 895 A 35 ALA HB% A 39 VAL H 1.0 0.0 4.0 1080 896 A 38 ALA H A 39 VAL H 1.0 0.0 3.0 1081 897 A 86 LEU HDy% A 92 LEU H 1.0 0.0 5.0 1082 898 A 92 LEU H A 91 ALA H 1.0 0.0 4.0 1083 899 A 39 VAL H A 32 PRO HBx 1.0 0.0 6.0 1084 899 A 32 PRO HBy A 39 VAL H 1.0 0.0 6.0 1085 900 A 92 LEU H A 68 VAL HGx% 1.0 0.0 5.0 1086 901 A 78 VAL HB A 79 ASN HD21 1.0 0.0 5.0 1087 902 A 81 THR HG2% A 79 ASN HD21 1.0 0.0 6.0 1088 903 A 78 VAL HGx% A 79 ASN HD22 1.0 0.0 4.0 1089 904 A 78 VAL H A 79 ASN HD22 1.0 0.0 6.0 1090 905 A 79 ASN HD22 A 78 VAL HGy% 1.0 0.0 6.0 1091 906 A 78 VAL HGx% A 79 ASN HD21 1.0 0.0 5.0 1092 907 A 77 LYS H A 79 ASN HD21 1.0 0.0 6.0 1093 908 A 78 VAL HB A 79 ASN HD22 1.0 0.0 4.0 1094 909 A 79 ASN H A 79 ASN HD22 1.0 0.0 4.0 1095 910 A 79 ASN HD21 A 78 VAL HGy% 1.0 0.0 6.0 1096 911 A 78 VAL H A 79 ASN HD21 1.0 0.0 5.0 1097 912 A 140 LYS H A 143 HIS H 1.0 0.0 5.0 1098 913 A 88 GLU H A 69 LYS H 1.0 0.0 3.0 1099 914 A 86 LEU HDy% A 69 LYS H 1.0 0.0 5.0 1100 915 A 21 LYS H A 23 PHE H 1.0 0.0 5.0 1101 916 A 67 TYR HD% A 69 LYS H 1.0 0.0 5.0 1102 917 A 21 LYS H A 80 HIS HD2 1.0 0.0 6.0 1103 918 A 143 HIS H A 139 GLU HBx 1.0 0.0 5.0 1104 918 A 139 GLU HBy A 143 HIS H 1.0 0.0 5.0 1105 919 A 86 LEU HDx% A 69 LYS H 1.0 0.0 3.0 1106 920 A 57 ILE HB A 69 LYS H 1.0 0.0 6.0 1107 921 A 90 ASP H A 91 ALA H 1.0 0.0 4.0 1108 922 A 21 LYS H A 22 ALA H 1.0 0.0 3.0 1109 923 A 146 LYS HBy A 144 LEU H 1.0 0.0 6.0 1110 924 A 86 LEU HA A 69 LYS H 1.0 0.0 6.0 1111 925 A 86 LEU HDy% A 91 ALA H 1.0 0.0 5.0 1112 926 A 20 PHE H A 17 PRO HDx 1.0 0.0 6.0 1113 926 A 20 PHE H A 17 PRO HDy 1.0 0.0 6.0 1114 927 A 21 LYS H A 20 PHE H 1.0 0.0 3.0 1115 928 A 20 PHE H A 21 LYS HBx 1.0 0.0 5.0 1116 928 A 20 PHE H A 21 LYS HBy 1.0 0.0 5.0 1117 929 A 20 PHE H A 19 LEU HBx 1.0 0.0 3.0 1118 929 A 20 PHE H A 19 LEU HBy 1.0 0.0 3.0 1119 930 A 17 PRO HGy A 20 PHE H 1.0 0.0 6.0 1120 931 A 19 LEU H A 20 PHE H 1.0 0.0 3.0 1121 932 A 19 LEU H A 17 PRO HBx 1.0 0.0 6.0 1122 932 A 19 LEU H A 17 PRO HBy 1.0 0.0 6.0 1123 933 A 144 LEU H A 145 PHE HBy 1.0 0.0 5.0 1124 934 A 144 LEU H A 143 HIS HBx 1.0 0.0 3.0 1125 934 A 143 HIS HBy A 144 LEU H 1.0 0.0 3.0 1126 935 A 53 THR H A 50 GLY H 1.0 0.0 5.0 1127 936 A 50 GLY HAx A 53 THR H 1.0 0.0 6.0 1128 937 A 19 LEU H A 17 PRO HDx 1.0 0.0 6.0 1129 937 A 19 LEU H A 17 PRO HDy 1.0 0.0 6.0 1130 938 A 22 ALA H A 23 PHE HBx 1.0 0.0 5.0 1131 939 A 19 LEU H A 15 PRO HDy 1.0 0.0 6.0 1132 940 A 49 GLY H A 53 THR H 1.0 0.0 6.0 1133 941 A 73 HIS HA A 53 THR H 1.0 0.0 6.0 1134 942 A 77 LYS H A 78 VAL H 1.0 0.0 4.0 1135 943 A 78 VAL HB A 78 VAL H 1.0 0.0 3.0 1136 944 A 76 ASP HBy A 78 VAL H 1.0 0.0 6.0 1137 945 A 79 ASN HBx A 78 VAL H 1.0 0.0 6.0 1138 946 A 76 ASP HBx A 78 VAL H 1.0 0.0 5.0 1139 947 A 81 THR H A 78 VAL H 1.0 0.0 6.0 1140 948 A 153 LYS H A 154 ASP H 1.0 0.0 3.0 1141 949 A 123 THR HB A 127 VAL H 1.0 0.0 4.0 1142 950 A 139 GLU H A 141 ALA H 1.0 0.0 5.0 1143 951 A 146 LYS H A 143 HIS HBx 1.0 0.0 6.0 1144 951 A 143 HIS HBy A 146 LYS H 1.0 0.0 6.0 1145 952 A 146 LYS H A 148 ILE H 1.0 0.0 5.0 1146 953 A 139 GLU H A 135 LYS HDx 1.0 0.0 6.0 1147 953 A 139 GLU H A 135 LYS HDy 1.0 0.0 6.0 1148 954 A 139 GLU H A 140 LYS H 1.0 0.0 3.0 1149 955 A 139 GLU H A 142 ALA HB% 1.0 0.0 5.0 1150 956 A 127 VAL H A 126 ASP H 1.0 0.0 4.0 1151 957 A 86 LEU HDy% A 90 ASP H 1.0 0.0 6.0 1152 958 A 143 HIS HA A 146 LYS H 1.0 0.0 4.0 1153 959 A 136 ALA HB% A 133 HIS H 1.0 0.0 5.0 1154 960 A 15 PRO HA A 113 THR H 1.0 0.0 6.0 1155 961 A 95 ASN HBy A 127 VAL H 1.0 0.0 6.0 1156 962 A 112 GLY HAx A 113 THR H 1.0 0.0 3.0 1157 963 A 113 THR H A 13 ASP HA 1.0 0.0 4.0 1158 964 A 113 THR HB A 113 THR H 1.0 0.0 3.0 1159 965 A 11 THR HA A 113 THR H 1.0 0.0 5.0 1160 966 A 12 SER H A 113 THR H 1.0 0.0 4.0 1161 967 A 127 VAL H A 123 THR HA 1.0 0.0 6.0 1162 968 A 3 VAL H A 3 VAL HGy% 1.0 0.0 3.0 1163 969 A 12 SER HBy A 113 THR H 1.0 0.0 6.0 1164 970 A 118 THR HG2% A 5 THR H 1.0 0.0 6.0 1165 971 A 5 THR H A 3 VAL HGx% 1.0 0.0 5.0 1166 972 A 108 ALA H A 113 THR H 1.0 0.0 5.0 1167 973 A 126 ASP H A 124 LYS HA 1.0 0.0 6.0 1168 974 A 153 LYS H A 151 TYR HBx 1.0 0.0 6.0 1169 975 A 117 THR HB A 8 ASN H 1.0 0.0 5.0 1170 976 A 7 GLU HA A 8 ASN H 1.0 0.0 3.0 1171 977 A 8 ASN H A 7 GLU HGx 1.0 0.0 4.0 1172 977 A 7 GLU HGy A 8 ASN H 1.0 0.0 4.0 1173 978 A 117 THR H A 8 ASN H 1.0 0.0 4.0 1174 979 A 117 THR HG2% A 8 ASN H 1.0 0.0 5.0 1175 980 A 86 LEU H A 99 ILE H 1.0 0.0 4.0 1176 981 A 140 LYS H A 139 GLU HGx 1.0 0.0 4.0 1177 981 A 140 LYS H A 139 GLU HGy 1.0 0.0 4.0 1178 982 A 140 LYS H A 139 GLU HBx 1.0 0.0 3.0 1179 982 A 139 GLU HBy A 140 LYS H 1.0 0.0 3.0 1180 983 A 140 LYS H A 137 GLY HAy 1.0 0.0 5.0 1181 984 A 140 LYS H A 142 ALA HB% 1.0 0.0 5.0 1182 985 A 134 VAL H A 133 HIS HBx 1.0 0.0 3.0 1183 985 A 133 HIS HBy A 134 VAL H 1.0 0.0 3.0 1184 986 A 86 LEU HBy A 99 ILE H 1.0 0.0 4.0 1185 987 A 134 VAL H A 135 LYS H 1.0 0.0 3.0 1186 988 A 14 ILE HG1y A 152 LEU H 1.0 0.0 6.0 1187 989 A 131 GLU HA A 134 VAL H 1.0 0.0 4.0 1188 990 A 134 VAL H A 133 HIS H 1.0 0.0 3.0 1189 991 A 99 ILE HG1x A 99 ILE H 1.0 0.0 4.0 1190 992 A 142 ALA H A 143 HIS HBx 1.0 0.0 5.0 1191 992 A 143 HIS HBy A 142 ALA H 1.0 0.0 5.0 1192 993 A 43 GLU H A 41 CYS HBx 1.0 0.0 5.0 1193 993 A 41 CYS HBy A 43 GLU H 1.0 0.0 5.0 1194 994 A 101 TYR H A 101 TYR HD1 1.0 0.0 3.0 1195 994 A 101 TYR H A 101 TYR HD2 1.0 0.0 3.0 1196 995 A 96 ILE H A 95 ASN HD22 1.0 0.0 6.0 1197 996 A 92 LEU HA A 96 ILE H 1.0 0.0 6.0 1198 997 A 86 LEU H A 101 TYR H 1.0 0.0 5.0 1199 998 A 86 LEU HA A 99 ILE H 1.0 0.0 5.0 1200 999 A 101 TYR H A 84 TYR H 1.0 0.0 4.0 1201 1000 A 57 ILE HG2% A 43 GLU H 1.0 0.0 5.0 1202 1001 A 56 LYS H A 43 GLU H 1.0 0.0 4.0 1203 1002 A 57 ILE HD1% A 43 GLU H 1.0 0.0 6.0 1204 1003 A 117 THR H A 8 ASN HBx 1.0 0.0 5.0 1205 1004 A 117 THR H A 7 GLU HGx 1.0 0.0 4.0 1206 1004 A 117 THR H A 7 GLU HGy 1.0 0.0 4.0 1207 1005 A 117 THR H A 8 ASN HBy 1.0 0.0 5.0 1208 1006 A 7 GLU HA A 117 THR H 1.0 0.0 5.0 1209 1007 A 117 THR H A 115 ILE HG2% 1.0 0.0 5.0 1210 1008 A 135 LYS H A 136 ALA H 1.0 0.0 4.0 1211 1009 A 133 HIS HA A 136 ALA H 1.0 0.0 5.0 1212 1010 A 127 VAL HB A 124 LYS H 1.0 0.0 5.0 1213 1011 A 116 LYS HGx A 10 PHE H 1.0 0.0 5.0 1214 1012 A 136 ALA H A 135 LYS HEx 1.0 0.0 6.0 1215 1012 A 135 LYS HEy A 136 ALA H 1.0 0.0 6.0 1216 1013 A 124 LYS H A 127 VAL H 1.0 0.0 5.0 1217 1014 A 95 ASN HBy A 124 LYS H 1.0 0.0 6.0 1218 1015 A 124 LYS H A 124 LYS HEx 1.0 0.0 6.0 1219 1015 A 124 LYS HEy A 124 LYS H 1.0 0.0 6.0 1220 1016 A 9 GLU HA A 10 PHE H 1.0 0.0 3.0 1221 1017 A 95 ASN HBx A 124 LYS H 1.0 0.0 6.0 1222 1018 A 134 VAL HGx% A 136 ALA H 1.0 0.0 6.0 1223 1019 A 115 ILE H A 10 PHE H 1.0 0.0 4.0 1224 1020 A 136 ALA H A 133 HIS HBx 1.0 0.0 6.0 1225 1020 A 133 HIS HBy A 136 ALA H 1.0 0.0 6.0 1226 1021 A 147 LEU H A 148 ILE H 1.0 0.0 4.0 1227 1022 A 136 ALA HB% A 135 LYS H 1.0 0.0 5.0 1228 1023 A 131 GLU HA A 135 LYS H 1.0 0.0 4.0 1229 1024 A 34 ILE HD1% A 148 ILE H 1.0 0.0 4.0 1230 1025 A 9 GLU H A 8 ASN HA 1.0 0.0 3.0 1231 1026 A 9 GLU H A 8 ASN HD21 1.0 0.0 5.0 1232 1027 A 149 GLU H A 148 ILE H 1.0 0.0 4.0 1233 1028 A 146 LYS HA A 148 ILE H 1.0 0.0 5.0 1234 1029 A 107 SER H A 114 ILE H 1.0 0.0 6.0 1235 1030 A 75 ILE HA A 83 SER H 1.0 0.0 4.0 1236 1031 A 82 TYR HD% A 83 SER H 1.0 0.0 4.0 1237 1032 A 84 TYR HD% A 83 SER H 1.0 0.0 5.0 1238 1033 A 74 SER H A 83 SER H 1.0 0.0 4.0 1239 1034 A 82 TYR HE% A 83 SER H 1.0 0.0 5.0 1240 1035 A 81 THR HG2% A 83 SER H 1.0 0.0 5.0 1241 1036 A 88 GLU H A 70 HIS HA 1.0 0.0 5.0 1242 1037 A 88 GLU H A 92 LEU HDy% 1.0 0.0 6.0 1243 1038 A 86 LEU HA A 88 GLU H 1.0 0.0 5.0 1244 1039 A 141 ALA H A 142 ALA H 1.0 0.0 4.0 1245 1040 A 140 LYS H A 141 ALA H 1.0 0.0 4.0 1246 1041 A 117 THR HA A 102 GLU H 1.0 0.0 5.0 1247 1042 A 102 GLU H A 101 TYR HD1 1.0 0.0 4.0 1248 1042 A 102 GLU H A 101 TYR HD2 1.0 0.0 4.0 1249 1043 A 118 THR HG2% A 102 GLU H 1.0 0.0 5.0 1250 1044 A 103 THR HA A 102 GLU H 1.0 0.0 5.0 1251 1045 A 151 TYR H A 152 LEU HBx 1.0 0.0 5.0 1252 1045 A 151 TYR H A 152 LEU HBy 1.0 0.0 5.0 1253 1046 A 148 ILE HA A 151 TYR H 1.0 0.0 4.0 1254 1047 A 119 SER H A 8 ASN H 1.0 0.0 6.0 1255 1048 A 7 GLU HA A 119 SER H 1.0 0.0 4.0 1256 1049 A 151 TYR H A 149 GLU HBx 1.0 0.0 5.0 1257 1049 A 151 TYR H A 149 GLU HBy 1.0 0.0 5.0 1258 1050 A 119 SER H A 6 TYR H 1.0 0.0 4.0 1259 1051 A 118 THR HG2% A 119 SER H 1.0 0.0 3.0 1260 1052 A 119 SER H A 5 THR HG2% 1.0 0.0 4.0 1261 1053 A 57 ILE HA A 58 THR H 1.0 0.0 3.0 1262 1054 A 39 VAL HGx% A 58 THR H 1.0 0.0 5.0 1263 1055 A 41 CYS H A 58 THR H 1.0 0.0 4.0 1264 1056 A 42 ALA HB% A 58 THR H 1.0 0.0 6.0 1265 1057 A 80 HIS H A 77 LYS H 1.0 0.0 5.0 1266 1058 A 5 THR HG2% A 7 GLU H 1.0 0.0 5.0 1267 1059 A 58 THR H A 40 LYS HBx 1.0 0.0 5.0 1268 1059 A 40 LYS HBy A 58 THR H 1.0 0.0 5.0 1269 1060 A 77 LYS H A 78 VAL HGx% 1.0 0.0 6.0 1270 1061 A 69 LYS HA A 70 HIS H 1.0 0.0 3.0 1271 1062 A 57 ILE HD1% A 70 HIS H 1.0 0.0 5.0 1272 1063 A 71 LYS H A 84 TYR HBx 1.0 0.0 5.0 1273 1064 A 71 LYS H A 70 HIS HA 1.0 0.0 3.0 1274 1065 A 84 TYR H A 73 HIS HBx 1.0 0.0 5.0 1275 1065 A 73 HIS HBy A 84 TYR H 1.0 0.0 5.0 1276 1066 A 72 ILE HA A 84 TYR H 1.0 0.0 5.0 1277 1067 A 84 TYR H A 102 GLU HGx 1.0 0.0 4.0 1278 1067 A 102 GLU HGy A 84 TYR H 1.0 0.0 4.0 1279 1068 A 101 TYR HBx A 84 TYR H 1.0 0.0 5.0 1280 1069 A 84 TYR H A 101 TYR HD1 1.0 0.0 6.0 1281 1069 A 84 TYR H A 101 TYR HD2 1.0 0.0 6.0 1282 1070 A 73 HIS HD2 A 84 TYR H 1.0 0.0 5.0 1283 1071 A 84 TYR H A 101 TYR HBy 1.0 0.0 5.0 1284 1072 A 26 ASP H A 27 ALA H 1.0 0.0 4.0 1285 1073 A 28 ASP H A 27 ALA H 1.0 0.0 3.0 1286 1074 A 103 THR H A 84 TYR H 1.0 0.0 5.0 1287 1075 A 25 LEU HA A 27 ALA H 1.0 0.0 4.0 1288 1076 A 114 ILE H A 106 VAL H 1.0 0.0 4.0 1289 1077 A 39 VAL HGy% A 38 ALA H 1.0 0.0 5.0 1290 1078 A 38 ALA H A 35 ALA HB% 1.0 0.0 4.0 1291 1079 A 113 THR HA A 106 VAL H 1.0 0.0 6.0 1292 1080 A 38 ALA H A 35 ALA HA 1.0 0.0 5.0 1293 1081 A 106 VAL HB A 106 VAL H 1.0 0.0 3.0 1294 1082 A 16 ALA HA A 106 VAL H 1.0 0.0 5.0 1295 1083 A 14 ILE H A 13 ASP HBx 1.0 0.0 4.0 1296 1084 A 14 ILE H A 13 ASP HA 1.0 0.0 3.0 1297 1085 A 14 ILE H A 13 ASP HBy 1.0 0.0 4.0 1298 1086 A 14 ILE HG1x A 14 ILE H 1.0 0.0 4.0 1299 1087 A 82 TYR HD% A 75 ILE H 1.0 0.0 6.0 1300 1088 A 100 ASP HBx A 120 LYS H 1.0 0.0 5.0 1301 1089 A 99 ILE HA A 120 LYS H 1.0 0.0 5.0 1302 1090 A 123 THR HG2% A 129 ILE H 1.0 0.0 6.0 1303 1091 A 118 THR HG2% A 120 LYS H 1.0 0.0 5.0 1304 1092 A 120 LYS H A 100 ASP HA 1.0 0.0 5.0 1305 1093 A 99 ILE HG2% A 120 LYS H 1.0 0.0 4.0 1306 1094 A 120 LYS H A 101 TYR HD1 1.0 0.0 5.0 1307 1094 A 120 LYS H A 101 TYR HD2 1.0 0.0 5.0 1308 1095 A 56 LYS H A 69 LYS HGx 1.0 0.0 5.0 1309 1095 A 56 LYS H A 69 LYS HGy 1.0 0.0 5.0 1310 1096 A 135 LYS H A 138 LYS H 1.0 0.0 5.0 1311 1097 A 138 LYS H A 135 LYS HA 1.0 0.0 4.0 1312 1098 A 56 LYS H A 45 LEU H 1.0 0.0 5.0 1313 1099 A 36 PRO HA A 35 ALA H 1.0 0.0 5.0 1314 1100 A 44 ILE HA A 56 LYS H 1.0 0.0 4.0 1315 1101 A 56 LYS H A 69 LYS HA 1.0 0.0 5.0 1316 1102 A 35 ALA H A 32 PRO HA 1.0 0.0 4.0 1317 1103 A 59 PHE HD% A 59 PHE H 1.0 0.0 3.0 1318 1104 A 59 PHE H A 68 VAL H 1.0 0.0 5.0 1319 1105 A 103 THR HB A 105 LEU H 1.0 0.0 6.0 1320 1106 A 82 TYR H A 105 LEU H 1.0 0.0 5.0 1321 1107 A 81 THR HB A 105 LEU H 1.0 0.0 6.0 1322 1108 A 105 LEU H A 104 LYS HEx 1.0 0.0 5.0 1323 1108 A 104 LYS HEy A 105 LEU H 1.0 0.0 5.0 1324 1109 A 59 PHE H A 67 TYR HD% 1.0 0.0 6.0 1325 1110 A 105 LEU H A 20 PHE HD% 1.0 0.0 5.0 1326 1111 A 115 ILE HG2% A 105 LEU H 1.0 0.0 5.0 1327 1112 A 104 LYS HGy A 82 TYR H 1.0 0.0 6.0 1328 1113 A 129 ILE HB A 128 GLU H 1.0 0.0 6.0 1329 1114 A 129 ILE HG2% A 128 GLU H 1.0 0.0 6.0 1330 1115 A 82 TYR H A 102 GLU HBx 1.0 0.0 6.0 1331 1115 A 102 GLU HBy A 82 TYR H 1.0 0.0 6.0 1332 1116 A 131 GLU H A 132 GLU HGx 1.0 0.0 5.0 1333 1116 A 132 GLU HGy A 131 GLU H 1.0 0.0 5.0 1334 1117 A 82 TYR H A 102 GLU HA 1.0 0.0 6.0 1335 1118 A 54 ILE H A 45 LEU H 1.0 0.0 5.0 1336 1119 A 123 THR HB A 128 GLU H 1.0 0.0 6.0 1337 1120 A 54 ILE H A 46 GLU HBx 1.0 0.0 5.0 1338 1121 A 118 THR HG2% A 6 TYR H 1.0 0.0 4.0 1339 1122 A 104 LYS HA A 82 TYR H 1.0 0.0 5.0 1340 1123 A 121 TYR HD% A 6 TYR H 1.0 0.0 6.0 1341 1124 A 5 THR HG2% A 6 TYR H 1.0 0.0 3.0 1342 1125 A 131 GLU H A 130 LYS HA 1.0 0.0 3.0 1343 1126 A 6 TYR H A 4 TYR HBx 1.0 0.0 6.0 1344 1126 A 6 TYR H A 4 TYR HBy 1.0 0.0 6.0 1345 1127 A 40 LYS H A 38 ALA HB% 1.0 0.0 6.0 1346 1128 A 40 LYS H A 39 VAL HB 1.0 0.0 4.0 1347 1129 A 40 LYS H A 60 GLY H 1.0 0.0 4.0 1348 1130 A 40 LYS H A 59 PHE HA 1.0 0.0 3.0 1349 1131 A 40 LYS H A 59 PHE HD% 1.0 0.0 6.0 1350 1132 A 42 ALA H A 32 PRO HBx 1.0 0.0 5.0 1351 1132 A 32 PRO HBy A 42 ALA H 1.0 0.0 5.0 1352 1133 A 29 ASN HA A 42 ALA H 1.0 0.0 6.0 1353 1134 A 39 VAL HGx% A 42 ALA H 1.0 0.0 6.0 1354 1135 A 57 ILE HD1% A 42 ALA H 1.0 0.0 6.0 1355 1136 A 42 ALA H A 43 GLU HBx 1.0 0.0 6.0 1356 1136 A 43 GLU HBy A 42 ALA H 1.0 0.0 6.0 1357 1137 A 123 THR HG2% A 123 THR H 1.0 0.0 3.0 1358 1138 A 123 THR H A 97 GLU H 1.0 0.0 6.0 1359 1139 A 118 THR H A 5 THR HG2% 1.0 0.0 6.0 1360 1140 A 82 TYR HBx A 103 THR H 1.0 0.0 5.0 1361 1141 A 82 TYR H A 103 THR H 1.0 0.0 4.0 1362 1142 A 102 GLU HA A 103 THR H 1.0 0.0 3.0 1363 1143 A 121 TYR H A 3 VAL HGy% 1.0 0.0 5.0 1364 1144 A 14 ILE HG1x A 13 ASP H 1.0 0.0 6.0 1365 1145 A 16 ALA H A 113 THR H 1.0 0.0 6.0 1366 1146 A 16 ALA H A 18 LYS H 1.0 0.0 6.0 1367 1147 A 16 ALA H A 19 LEU HBx 1.0 0.0 6.0 1368 1147 A 16 ALA H A 19 LEU HBy 1.0 0.0 6.0 1369 1148 A 115 ILE HG2% A 104 LYS H 1.0 0.0 4.0 1370 1149 A 87 ILE HB A 55 LYS H 1.0 0.0 6.0 1371 1150 A 103 THR HA A 104 LYS H 1.0 0.0 3.0 1372 1151 A 100 ASP H A 120 LYS HDx 1.0 0.0 5.0 1373 1151 A 120 LYS HDy A 100 ASP H 1.0 0.0 5.0 1374 1152 A 55 LYS H A 55 LYS HEx 1.0 0.0 5.0 1375 1152 A 55 LYS HEy A 55 LYS H 1.0 0.0 5.0 1376 1153 A 105 LEU HDy% A 104 LYS H 1.0 0.0 4.0 1377 1154 A 82 TYR HD% A 76 ASP H 1.0 0.0 5.0 1378 1155 A 75 ILE HA A 76 ASP H 1.0 0.0 3.0 1379 1156 A 81 THR HB A 76 ASP H 1.0 0.0 4.0 1380 1157 A 106 VAL HB A 116 LYS H 1.0 0.0 5.0 1381 1158 A 116 LYS H A 104 LYS H 1.0 0.0 4.0 1382 1159 A 115 ILE HA A 116 LYS H 1.0 0.0 3.0 1383 1160 A 84 TYR H A 73 HIS H 1.0 0.0 5.0 1384 1161 A 114 ILE HB A 114 ILE H 1.0 0.0 3.0 1385 1162 A 114 ILE H A 107 SER HBx 1.0 0.0 5.0 1386 1163 A 108 ALA H A 114 ILE H 1.0 0.0 4.0 1387 1164 A 84 TYR HA A 73 HIS H 1.0 0.0 4.0 1388 1165 A 73 HIS H A 52 GLY HAx 1.0 0.0 6.0 1389 1165 A 52 GLY HAy A 73 HIS H 1.0 0.0 6.0 1390 1166 A 84 TYR HBy A 73 HIS H 1.0 0.0 5.0 1391 1167 A 84 TYR HBx A 73 HIS H 1.0 0.0 5.0 1392 1168 A 74 SER H A 73 HIS H 1.0 0.0 4.0 1393 1169 A 84 TYR HD% A 73 HIS H 1.0 0.0 6.0 1394 1170 A 73 HIS HD2 A 73 HIS H 1.0 0.0 4.0 1395 1171 A 129 ILE HD1% A 130 LYS H 1.0 0.0 4.0 1396 1172 A 53 THR HG2% A 72 ILE H 1.0 0.0 5.0 1397 1173 A 130 LYS H A 129 ILE HG1x 1.0 0.0 3.0 1398 1173 A 129 ILE HG1y A 130 LYS H 1.0 0.0 3.0 1399 1174 A 133 HIS HA A 130 LYS H 1.0 0.0 6.0 1400 1175 A 54 ILE HA A 72 ILE H 1.0 0.0 5.0 1401 1176 A 71 LYS HBx A 72 ILE H 1.0 0.0 4.0 1402 1177 A 71 LYS HA A 72 ILE H 1.0 0.0 3.0 1403 1178 A 130 LYS H A 133 HIS HBx 1.0 0.0 4.0 1404 1178 A 133 HIS HBy A 130 LYS H 1.0 0.0 4.0 1405 1179 A 72 ILE HB A 72 ILE H 1.0 0.0 3.0 1406 1180 A 53 THR H A 72 ILE H 1.0 0.0 4.0 1407 1181 A 148 ILE HA A 150 GLY H 1.0 0.0 6.0 1408 1182 A 146 LYS HA A 150 GLY H 1.0 0.0 6.0 1409 1183 A 150 GLY H A 151 TYR HBy 1.0 0.0 6.0 1410 1184 A 60 GLY H A 40 LYS HBx 1.0 0.0 6.0 1411 1184 A 40 LYS HBy A 60 GLY H 1.0 0.0 6.0 1412 1185 A 60 GLY H A 40 LYS HDx 1.0 0.0 6.0 1413 1185 A 40 LYS HDy A 60 GLY H 1.0 0.0 6.0 1414 1186 A 39 VAL HGx% A 60 GLY H 1.0 0.0 6.0 1415 1187 A 86 LEU H A 101 TYR HD1 1.0 0.0 3.0 1416 1187 A 86 LEU H A 101 TYR HD2 1.0 0.0 3.0 1417 1188 A 86 LEU H A 85 SER HA 1.0 0.0 3.0 1418 1189 A 86 LEU H A 86 LEU HBy 1.0 0.0 3.0 1419 1190 A 45 LEU H A 56 LYS HBy 1.0 0.0 5.0 1420 1191 A 45 LEU H A 46 GLU HGx 1.0 0.0 6.0 1421 1192 A 44 ILE HA A 45 LEU H 1.0 0.0 3.0 1422 1193 A 46 GLU H A 45 LEU H 1.0 0.0 3.0 1423 1194 A 115 ILE H A 9 GLU HBx 1.0 0.0 6.0 1424 1194 A 115 ILE H A 9 GLU HBy 1.0 0.0 6.0 1425 1195 A 114 ILE HB A 108 ALA H 1.0 0.0 6.0 1426 1196 A 108 ALA H A 112 GLY HAx 1.0 0.0 6.0 1427 1197 A 115 ILE H A 10 PHE HA 1.0 0.0 5.0 1428 1198 A 115 ILE H A 11 THR HB 1.0 0.0 6.0 1429 1199 A 108 ALA H A 113 THR HB 1.0 0.0 6.0 1430 1200 A 108 ALA H A 114 ILE HD1% 1.0 0.0 5.0 1431 1201 A 115 ILE H A 115 ILE HD1% 1.0 0.0 4.0 1432 1202 A 116 LYS HGy A 115 ILE H 1.0 0.0 6.0 1433 1203 A 9 GLU HA A 115 ILE H 1.0 0.0 5.0 1434 1204 A 137 GLY H A 134 VAL HA 1.0 0.0 6.0 1435 1205 A 135 LYS H A 137 GLY H 1.0 0.0 6.0 1436 1206 A 145 PHE HD% A 115 ILE HG2% 1.0 0.0 5.0 1437 1207 A 115 ILE HD1% A 145 PHE HD% 1.0 0.0 5.0 1438 1208 A 84 TYR HE% A 101 TYR HD1 1.0 0.0 4.0 1439 1209 A 84 TYR HE% A 82 TYR HD% 1.0 0.0 5.0 1440 1210 A 24 VAL HGx% A 82 TYR HE% 1.0 0.0 4.0 1441 1211 A 82 TYR HE% A 24 VAL HGy% 1.0 0.0 4.0 1442 1212 A 82 TYR HE% A 84 TYR H 1.0 0.0 6.0 1443 1213 A 84 TYR HA A 82 TYR HE% 1.0 0.0 6.0 1444 1214 A 115 ILE HD1% A 145 PHE HE% 1.0 0.0 5.0 1445 1215 A 12 SER H A 115 ILE HD1% 1.0 0.0 5.0 1446 1216 A 149 GLU HA A 14 ILE HD1% 1.0 0.0 5.0 1447 1217 A 14 ILE HG2% A 15 PRO HDx 1.0 0.0 4.0 1448 1217 A 14 ILE HG2% A 15 PRO HDy 1.0 0.0 4.0 1449 1218 A 14 ILE HG2% A 19 LEU HDx% 1.0 0.0 5.0 1450 1218 A 14 ILE HG2% A 19 LEU HDy% 1.0 0.0 5.0 1451 1219 A 14 ILE HG2% A 18 LYS HBx 1.0 0.0 5.0 1452 1219 A 14 ILE HG2% A 18 LYS HBy 1.0 0.0 5.0 1453 1220 A 16 ALA HB% A 107 SER HBy 1.0 0.0 4.0 1454 1220 A 16 ALA HB% A 107 SER HBx 1.0 0.0 4.0 1455 1221 A 16 ALA HB% A 105 LEU H 1.0 0.0 5.0 1456 1222 A 57 ILE HA A 42 ALA HB% 1.0 0.0 4.0 1457 1223 A 27 ALA HA A 31 ILE HD1% 1.0 0.0 4.0 1458 1224 A 23 PHE HA A 31 ILE HD1% 1.0 0.0 6.0 1459 1225 A 148 ILE HA A 34 ILE HD1% 1.0 0.0 4.0 1460 1226 A 34 ILE HD1% A 144 LEU HA 1.0 0.0 4.0 1461 1227 A 80 HIS HD2 A 20 PHE HD% 1.0 0.0 5.0 1462 1228 A 16 ALA HB% A 80 HIS HD2 1.0 0.0 5.0 1463 1229 A 108 ALA HB% A 112 GLY H 1.0 0.0 4.0 1464 1230 A 92 LEU HDx% A 89 GLY H 1.0 0.0 3.0 1465 1231 A 131 GLU HA A 134 VAL HGy% 1.0 0.0 4.0 1466 1232 A 129 ILE HG2% A 134 VAL HGy% 1.0 0.0 4.0 1467 1233 A 134 VAL H A 134 VAL HB 1.0 0.0 3.0 1468 1234 A 134 VAL HGy% A 134 VAL H 1.0 0.0 3.0 1469 1235 A 128 GLU HA A 129 ILE H 1.0 0.0 3.0 1470 1236 A 129 ILE HD1% A 96 ILE HD1% 1.0 0.0 4.0 1471 1237 A 129 ILE HG2% A 96 ILE HD1% 1.0 0.0 5.0 1472 1238 A 99 ILE HG2% A 85 SER HA 1.0 0.0 5.0 1473 1239 A 99 ILE HD1% A 92 LEU HA 1.0 0.0 5.0 1474 1240 A 73 HIS HD2 A 85 SER H 1.0 0.0 5.0 1475 1241 A 71 LYS H A 85 SER H 1.0 0.0 4.0 1476 1242 A 84 TYR HA A 85 SER H 1.0 0.0 3.0 1477 1243 A 72 ILE HA A 85 SER H 1.0 0.0 4.0 1478 1244 A 129 ILE HG2% A 130 LYS H 1.0 0.0 3.0 1479 1245 A 129 ILE HA A 130 LYS H 1.0 0.0 3.0 1480 1246 A 151 TYR HD% A 34 ILE HD1% 1.0 0.0 4.0 1481 1247 A 151 TYR HD% A 34 ILE HG2% 1.0 0.0 5.0 1482 1248 A 11 THR HA A 115 ILE HD1% 1.0 0.0 4.0 1483 1249 A 14 ILE HG2% A 18 LYS H 1.0 0.0 5.0 1484 1250 A 14 ILE HG2% A 18 LYS HEx 1.0 0.0 5.0 1485 1250 A 14 ILE HG2% A 18 LYS HEy 1.0 0.0 5.0 1486 1251 A 14 ILE HD1% A 152 LEU HBx 1.0 0.0 4.0 1487 1251 A 14 ILE HD1% A 152 LEU HBy 1.0 0.0 4.0 1488 1252 A 34 ILE H A 35 ALA H 1.0 0.0 3.0 1489 1253 A 33 LYS H A 35 ALA H 1.0 0.0 5.0 1490 1254 A 43 GLU HA A 44 ILE H 1.0 0.0 3.0 1491 1255 A 55 LYS HA A 44 ILE H 1.0 0.0 5.0 1492 1256 A 44 ILE HA A 55 LYS HA 1.0 0.0 3.0 1493 1257 A 44 ILE HA A 56 LYS H 1.0 0.0 4.0 1494 1258 A 87 ILE H A 88 GLU H 1.0 0.0 3.0 1495 1259 A 88 GLU H A 69 LYS H 1.0 0.0 4.0 1496 1260 A 86 LEU HA A 88 GLU H 1.0 0.0 5.0 1497 1261 A 68 VAL HA A 88 GLU H 1.0 0.0 5.0 1498 1262 A 92 LEU H A 91 ALA H 1.0 0.0 3.0 1499 1263 A 92 LEU H A 93 SER H 1.0 0.0 3.0 1500 1264 A 93 SER H A 92 LEU HDy% 1.0 0.0 4.0 1501 1265 A 86 LEU H A 99 ILE H 1.0 0.0 4.0 1502 1266 A 99 ILE HG2% A 100 ASP H 1.0 0.0 3.0 1503 1267 A 99 ILE HG2% A 120 LYS H 1.0 0.0 4.0 1504 1268 A 86 LEU H A 99 ILE HG2% 1.0 0.0 4.0 1505 1269 A 46 GLU H A 45 LEU H 1.0 0.0 3.0 1506 1270 A 55 LYS HA A 45 LEU H 1.0 0.0 3.0 1507 1271 A 44 ILE HA A 45 LEU H 1.0 0.0 3.0 1508 1272 A 45 LEU H A 55 LYS H 1.0 0.0 5.0 1509 1273 A 44 ILE HA A 46 GLU H 1.0 0.0 4.0 1510 1274 A 47 GLY H A 48 ASP H 1.0 0.0 3.0 1511 1275 A 53 THR HG2% A 48 ASP H 1.0 0.0 4.0 1512 1276 A 53 THR HB A 48 ASP H 1.0 0.0 5.0 1513 1277 A 48 ASP H A 50 GLY H 1.0 0.0 4.0 1514 1278 A 49 GLY H A 50 GLY H 1.0 0.0 3.0 1515 1279 A 44 ILE HD1% A 50 GLY H 1.0 0.0 5.0 1516 1280 A 53 THR HG2% A 50 GLY H 1.0 0.0 4.0 1517 1281 A 53 THR HA A 50 GLY H 1.0 0.0 5.0 1518 1282 A 75 ILE HD1% A 50 GLY H 1.0 0.0 5.0 1519 1283 A 52 GLY H A 73 HIS HA 1.0 0.0 4.0 1520 1284 A 52 GLY H A 53 THR H 1.0 0.0 3.0 1521 1285 A 51 PRO HA A 52 GLY H 1.0 0.0 3.0 1522 1286 A 52 GLY H A 72 ILE HG2% 1.0 0.0 4.0 1523 1287 A 54 ILE H A 53 THR HG2% 1.0 0.0 3.0 1524 1288 A 46 GLU H A 54 ILE H 1.0 0.0 3.0 1525 1289 A 47 GLY HAx A 54 ILE H 1.0 0.0 4.0 1526 1290 A 54 ILE H A 44 ILE HG2% 1.0 0.0 3.0 1527 1291 A 54 ILE H A 46 GLU HBx 1.0 0.0 4.0 1528 1291 A 54 ILE H A 46 GLU HBy 1.0 0.0 4.0 1529 1292 A 53 THR HA A 54 ILE H 1.0 0.0 3.0 1530 1293 A 54 ILE HA A 55 LYS H 1.0 0.0 3.0 1531 1294 A 55 LYS H A 70 HIS H 1.0 0.0 4.0 1532 1295 A 24 VAL HGx% A 24 VAL H 1.0 0.0 3.0 1533 1296 A 23 PHE H A 24 VAL H 1.0 0.0 3.0 1534 1297 A 28 ASP H A 27 ALA H 1.0 0.0 3.0 1535 1298 A 26 ASP H A 27 ALA H 1.0 0.0 3.0 1536 1299 A 119 SER H A 6 TYR H 1.0 0.0 4.0 1537 1300 A 5 THR HG2% A 6 TYR H 1.0 0.0 3.0 1538 1301 A 118 THR HG2% A 6 TYR H 1.0 0.0 4.0 1539 1302 A 5 THR HA A 6 TYR H 1.0 0.0 3.0 1540 1303 A 5 THR HA A 120 LYS HA 1.0 0.0 3.0 1541 1304 A 7 GLU HA A 119 SER H 1.0 0.0 4.0 1542 1305 A 118 THR HG2% A 119 SER H 1.0 0.0 3.0 1543 1306 A 119 SER H A 5 THR HG2% 1.0 0.0 4.0 1544 1307 A 121 TYR H A 3 VAL HGy% 1.0 0.0 4.0 1545 1308 A 13 ASP H A 12 SER HA 1.0 0.0 3.0 1546 1309 A 14 ILE HD1% A 13 ASP H 1.0 0.0 5.0 1547 1310 A 99 ILE HG2% A 101 TYR HD1 1.0 0.0 5.0 1548 1310 A 99 ILE HG2% A 101 TYR HD2 1.0 0.0 5.0 1549 1311 A 101 TYR HD1 A 119 SER HBx 1.0 0.0 4.0 1550 1311 A 101 TYR HD1 A 119 SER HBy 1.0 0.0 4.0 1551 1311 A 119 SER HBx A 101 TYR HD2 1.0 0.0 4.0 1552 1311 A 101 TYR HD2 A 119 SER HBy 1.0 0.0 4.0 1553 1312 A 84 TYR HD% A 101 TYR HD1 1.0 0.0 4.0 1554 1312 A 84 TYR HD% A 101 TYR HD2 1.0 0.0 4.0 1555 1313 A 84 TYR HE% A 101 TYR HD1 1.0 0.0 5.0 1556 1313 A 84 TYR HE% A 101 TYR HD2 1.0 0.0 5.0 1557 1314 A 86 LEU H A 101 TYR HD1 1.0 0.0 5.0 1558 1314 A 86 LEU H A 101 TYR HD2 1.0 0.0 5.0 1559 1315 A 86 LEU H A 101 TYR HE% 1.0 0.0 5.0 1560 1316 A 84 TYR HE% A 101 TYR HE% 1.0 0.0 5.0 1561 1317 A 99 ILE HD1% A 101 TYR HE% 1.0 0.0 5.0 1562 1318 A 99 ILE HG2% A 101 TYR HE% 1.0 0.0 5.0 1563 1319 A 101 TYR HE% A 119 SER HBy 1.0 0.0 5.0 1564 1319 A 119 SER HBx A 101 TYR HE% 1.0 0.0 5.0 1565 1320 A 99 ILE H A 101 TYR HE% 1.0 0.0 5.0 1566 1321 A 99 ILE H A 98 LYS HA 1.0 0.0 3.0 1567 1322 A 96 ILE H A 95 ASN H 1.0 0.0 3.0 1568 1323 A 99 ILE HD1% A 91 ALA HB% 1.0 0.0 5.0 1569 1324 A 121 TYR HD% A 129 ILE HD1% 1.0 0.0 5.0 1570 1325 A 129 ILE HD1% A 121 TYR HBy 1.0 0.0 6.0 1571 1325 A 129 ILE HD1% A 121 TYR HBx 1.0 0.0 6.0 1572 1326 A 134 VAL HGy% A 133 HIS H 1.0 0.0 4.0 1573 1327 A 135 LYS H A 134 VAL HB 1.0 0.0 3.0 1574 1328 A 24 VAL HGy% A 75 ILE HG2% 1.0 0.0 4.0 1575 1329 A 24 VAL HGy% A 75 ILE HD1% 1.0 0.0 4.0 1576 1330 A 59 PHE HD% A 68 VAL H 1.0 0.0 4.0 1577 1331 A 68 VAL H A 89 GLY HAx 1.0 0.0 4.0 1578 1331 A 68 VAL H A 89 GLY HAy 1.0 0.0 4.0 1579 1332 A 68 VAL H A 57 ILE HD1% 1.0 0.0 4.0 1580 1333 A 37 GLN H A 35 ALA HA 1.0 0.0 4.0 1581 1334 A 37 GLN H A 35 ALA HB% 1.0 0.0 5.0 1582 1335 A 113 THR HA A 108 ALA H 1.0 0.0 3.0 1583 1336 A 108 ALA H A 114 ILE H 1.0 0.0 5.0 1584 1337 A 38 ALA H A 37 GLN H 1.0 0.0 3.0 1585 1338 A 38 ALA H A 39 VAL H 1.0 0.0 3.0 1586 1339 A 129 ILE HG2% A 128 GLU HA 1.0 0.0 4.0 1587 1340 A 99 ILE HD1% A 92 LEU HDy% 1.0 0.0 4.0 1588 1341 A 92 LEU HDy% A 68 VAL HGy% 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 PHE HE% A 13 ASP HBx 1.0 0.0 6.0 2 1 A 10 PHE HZ A 13 ASP HBx 1.0 0.0 6.0 3 1 A 13 ASP HBy A 10 PHE HZ 1.0 0.0 6.0 4 1 A 13 ASP HBy A 10 PHE HE% 1.0 0.0 6.0 5 2 A 13 ASP H A 10 PHE HZ 1.0 0.0 6.0 6 2 A 13 ASP H A 10 PHE HE% 1.0 0.0 6.0 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 6 TYR H A 119 SER O 1.0 0.0 2.3 2 2 A 119 SER O A 6 TYR N 1.0 0.0 3.3 3 3 A 8 ASN H A 117 THR O 1.0 0.0 2.3 4 4 A 117 THR O A 8 ASN N 1.0 0.0 3.3 5 5 A 10 PHE H A 115 ILE O 1.0 0.0 2.3 6 6 A 115 ILE O A 10 PHE N 1.0 0.0 3.3 7 7 A 12 SER H A 113 THR O 1.0 0.0 2.3 8 8 A 113 THR O A 12 SER N 1.0 0.0 3.3 9 9 A 20 PHE H A 16 ALA O 1.0 0.0 2.3 10 10 A 16 ALA O A 20 PHE N 1.0 0.0 3.3 11 11 A 23 PHE H A 19 LEU O 1.0 0.0 2.3 12 12 A 19 LEU O A 23 PHE N 1.0 0.0 3.3 13 13 A 24 VAL H A 20 PHE O 1.0 0.0 2.3 14 14 A 20 PHE O A 24 VAL N 1.0 0.0 3.3 15 15 A 30 LEU H A 26 ASP O 1.0 0.0 2.3 16 16 A 26 ASP O A 30 LEU N 1.0 0.0 3.3 17 17 A 33 LYS H A 30 LEU O 1.0 0.0 2.3 18 18 A 30 LEU O A 33 LYS N 1.0 0.0 3.3 19 19 A 34 ILE H A 30 LEU O 1.0 0.0 2.3 20 20 A 30 LEU O A 34 ILE N 1.0 0.0 3.3 21 21 A 45 LEU H A 54 ILE O 1.0 0.0 2.3 22 22 A 54 ILE O A 45 LEU N 1.0 0.0 3.3 23 23 A 54 ILE H A 46 GLU O 1.0 0.0 2.3 24 24 A 46 GLU O A 54 ILE N 1.0 0.0 3.3 25 25 A 55 LYS H A 70 HIS O 1.0 0.0 2.3 26 26 A 70 HIS O A 55 LYS N 1.0 0.0 3.3 27 27 A 56 LYS H A 43 GLU O 1.0 0.0 2.3 28 28 A 43 GLU O A 56 LYS N 1.0 0.0 3.3 29 29 A 57 ILE H A 68 VAL O 1.0 0.0 2.3 30 30 A 68 VAL O A 57 ILE N 1.0 0.0 3.3 31 31 A 59 PHE H A 66 GLY O 1.0 0.0 2.3 32 32 A 66 GLY O A 59 PHE N 1.0 0.0 3.3 33 33 A 68 VAL H A 57 ILE O 1.0 0.0 2.3 34 34 A 57 ILE O A 68 VAL N 1.0 0.0 3.3 35 35 A 70 HIS H A 55 LYS O 1.0 0.0 2.3 36 36 A 55 LYS O A 70 HIS N 1.0 0.0 3.3 37 37 A 71 LYS H A 85 SER O 1.0 0.0 2.3 38 38 A 85 SER O A 71 LYS N 1.0 0.0 3.3 39 39 A 72 ILE H A 53 THR O 1.0 0.0 2.3 40 40 A 53 THR O A 72 ILE N 1.0 0.0 3.3 41 41 A 82 TYR H A 103 THR O 1.0 0.0 2.3 42 42 A 103 THR O A 82 TYR N 1.0 0.0 3.3 43 43 A 83 SER H A 74 SER O 1.0 0.0 2.3 44 44 A 74 SER O A 83 SER N 1.0 0.0 3.3 45 45 A 84 TYR H A 101 TYR O 1.0 0.0 2.3 46 46 A 101 TYR O A 84 TYR N 1.0 0.0 3.3 47 47 A 85 SER H A 71 LYS O 1.0 0.0 2.3 48 48 A 71 LYS O A 85 SER N 1.0 0.0 3.3 49 49 A 86 LEU H A 99 ILE O 1.0 0.0 2.3 50 50 A 99 ILE O A 86 LEU N 1.0 0.0 3.3 51 51 A 92 LEU H A 89 GLY O 1.0 0.0 2.3 52 52 A 89 GLY O A 92 LEU N 1.0 0.0 3.3 53 53 A 96 ILE H A 92 LEU O 1.0 0.0 2.3 54 54 A 92 LEU O A 96 ILE N 1.0 0.0 3.3 55 55 A 99 ILE H A 86 LEU O 1.0 0.0 2.3 56 56 A 86 LEU O A 99 ILE N 1.0 0.0 3.3 57 57 A 100 ASP H A 120 LYS O 1.0 0.0 2.3 58 58 A 120 LYS O A 100 ASP N 1.0 0.0 3.3 59 59 A 101 TYR H A 84 TYR O 1.0 0.0 2.3 60 60 A 84 TYR O A 101 TYR N 1.0 0.0 3.3 61 61 A 102 GLU H A 118 THR O 1.0 0.0 2.3 62 62 A 118 THR O A 102 GLU N 1.0 0.0 3.3 63 63 A 103 THR H A 82 TYR O 1.0 0.0 2.3 64 64 A 82 TYR O A 103 THR N 1.0 0.0 3.3 65 65 A 104 LYS H A 116 LYS O 1.0 0.0 2.3 66 66 A 116 LYS O A 104 LYS N 1.0 0.0 3.3 67 67 A 105 LEU H A 80 HIS O 1.0 0.0 2.3 68 68 A 80 HIS O A 105 LEU N 1.0 0.0 3.3 69 69 A 106 VAL H A 114 ILE O 1.0 0.0 2.3 70 70 A 114 ILE O A 106 VAL N 1.0 0.0 3.3 71 71 A 108 ALA H A 112 GLY O 1.0 0.0 2.3 72 72 A 112 GLY O A 108 ALA N 1.0 0.0 3.3 73 73 A 111 GLY H A 108 ALA O 1.0 0.0 2.3 74 74 A 108 ALA O A 111 GLY N 1.0 0.0 3.3 75 75 A 113 THR H A 12 SER O 1.0 0.0 2.3 76 76 A 12 SER O A 113 THR N 1.0 0.0 3.3 77 77 A 115 ILE H A 10 PHE O 1.0 0.0 2.3 78 78 A 10 PHE O A 115 ILE N 1.0 0.0 3.3 79 79 A 116 LYS H A 104 LYS O 1.0 0.0 2.3 80 80 A 104 LYS O A 116 LYS N 1.0 0.0 3.3 81 81 A 117 THR H A 8 ASN O 1.0 0.0 2.3 82 82 A 8 ASN O A 117 THR N 1.0 0.0 3.3 83 83 A 118 THR H A 102 GLU O 1.0 0.0 2.3 84 84 A 102 GLU O A 118 THR N 1.0 0.0 3.3 85 85 A 119 SER H A 6 TYR O 1.0 0.0 2.3 86 86 A 6 TYR O A 119 SER N 1.0 0.0 3.3 87 87 A 120 LYS H A 100 ASP O 1.0 0.0 2.3 88 88 A 100 ASP O A 120 LYS N 1.0 0.0 3.3 89 89 A 122 HIS H A 98 LYS O 1.0 0.0 2.3 90 90 A 98 LYS O A 122 HIS N 1.0 0.0 3.3 91 91 A 133 HIS H A 130 LYS O 1.0 0.0 2.3 92 92 A 130 LYS O A 133 HIS N 1.0 0.0 3.3 93 93 A 134 VAL H A 130 LYS O 1.0 0.0 2.3 94 94 A 130 LYS O A 134 VAL N 1.0 0.0 3.3 95 95 A 135 LYS H A 131 GLU O 1.0 0.0 2.3 96 96 A 131 GLU O A 135 LYS N 1.0 0.0 3.3 97 97 A 140 LYS H A 136 ALA O 1.0 0.0 2.3 98 98 A 136 ALA O A 140 LYS N 1.0 0.0 3.3 99 99 A 141 ALA H A 137 GLY O 1.0 0.0 2.3 100 100 A 137 GLY O A 141 ALA N 1.0 0.0 3.3 101 101 A 142 ALA H A 138 LYS O 1.0 0.0 2.3 102 102 A 138 LYS O A 142 ALA N 1.0 0.0 3.3 103 103 A 143 HIS H A 139 GLU O 1.0 0.0 2.3 104 104 A 139 GLU O A 143 HIS N 1.0 0.0 3.3 105 105 A 144 LEU H A 140 LYS O 1.0 0.0 2.3 106 106 A 140 LYS O A 144 LEU N 1.0 0.0 3.3 107 107 A 145 PHE H A 141 ALA O 1.0 0.0 2.3 108 108 A 141 ALA O A 145 PHE N 1.0 0.0 3.3 109 109 A 147 LEU H A 144 LEU O 1.0 0.0 2.3 110 110 A 144 LEU O A 147 LEU N 1.0 0.0 3.3 111 111 A 148 ILE H A 144 LEU O 1.0 0.0 2.3 112 112 A 144 LEU O A 148 ILE N 1.0 0.0 3.3 113 113 A 150 GLY H A 146 LYS O 1.0 0.0 2.3 114 114 A 146 LYS O A 150 GLY N 1.0 0.0 3.3 115 115 A 151 TYR H A 147 LEU O 1.0 0.0 2.3 116 116 A 147 LEU O A 151 TYR N 1.0 0.0 3.3 117 117 A 153 LYS H A 149 GLU O 1.0 0.0 2.3 118 118 A 149 GLU O A 153 LYS N 1.0 0.0 3.3 119 119 A 154 ASP H A 150 GLY O 1.0 0.0 2.3 120 120 A 150 GLY O A 154 ASP N 1.0 0.0 3.3 121 121 A 155 HIS H A 151 TYR O 1.0 0.0 2.3 122 122 A 151 TYR O A 155 HIS N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 2 GLY C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -159.78 -75.22 PHI 2 2 A 3 VAL C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -159.00 -84.96 PHI 3 3 A 4 TYR C A 5 THR N A 5 THR CA A 5 THR C 1.0 -143.93 -93.73 PHI 4 4 A 5 THR C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -142.34 -89.10 PHI 5 5 A 6 TYR C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -153.74 -99.86 PHI 6 6 A 7 GLU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -169.51 -106.07 PHI 7 7 A 8 ASN C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -155.14 -86.70 PHI 8 8 A 9 GLU C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -164.21 -94.01 PHI 9 9 A 10 PHE C A 11 THR N A 11 THR CA A 11 THR C 1.0 -150.68 -90.64 PHI 10 10 A 11 THR C A 12 SER N A 12 SER CA A 12 SER C 1.0 -181.62 -83.02 PHI 11 11 A 12 SER C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -80.79 -54.19 PHI 12 12 A 14 ILE C A 15 PRO N A 15 PRO CA A 15 PRO C 1.0 -70.94 -50.38 PHI 13 13 A 16 ALA C A 17 PRO N A 17 PRO CA A 17 PRO C 1.0 -70.19 -47.83 PHI 14 14 A 17 PRO C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -71.37 -58.13 PHI 15 15 A 18 LYS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -80.51 -51.67 PHI 16 16 A 19 LEU C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -73.10 -49.78 PHI 17 17 A 24 VAL C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -122.00 -25.80 PHI 18 18 A 26 ASP C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -69.60 -46.84 PHI 19 19 A 27 ALA C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -90.27 -49.79 PHI 20 20 A 28 ASP C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -121.07 -65.71 PHI 21 21 A 31 ILE C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -74.35 -45.11 PHI 22 22 A 32 PRO C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -94.24 -47.96 PHI 23 23 A 33 LYS C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -126.94 -50.38 PHI 24 24 A 36 PRO C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -111.80 -46.08 PHI 25 25 A 39 VAL C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -118.01 -71.97 PHI 26 26 A 40 LYS C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -182.49 -134.37 PHI 27 27 A 41 CYS C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -175.00 -75.56 PHI 28 28 A 42 ALA C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -180.06 -87.98 PHI 29 29 A 43 GLU C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -106.81 -65.29 PHI 30 30 A 52 GLY C A 53 THR N A 53 THR CA A 53 THR C 1.0 -115.68 -61.56 PHI 31 31 A 53 THR C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -145.48 -88.52 PHI 32 32 A 54 ILE C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -144.15 -105.95 PHI 33 33 A 55 LYS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -161.75 -86.11 PHI 34 34 A 56 LYS C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -190.73 -79.61 PHI 35 35 A 57 ILE C A 58 THR N A 58 THR CA A 58 THR C 1.0 -127.79 -80.31 PHI 36 36 A 58 THR C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -136.15 -91.15 PHI 37 37 A 66 GLY C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -168.00 -68.16 PHI 38 38 A 67 TYR C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -149.37 -112.77 PHI 39 39 A 68 VAL C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -165.24 -88.52 PHI 40 40 A 69 LYS C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -146.89 -100.69 PHI 41 41 A 70 HIS C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -183.54 -46.66 PHI 42 42 A 71 LYS C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -113.72 -48.12 PHI 43 43 A 72 ILE C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -121.66 -89.02 PHI 44 44 A 73 HIS C A 74 SER N A 74 SER CA A 74 SER C 1.0 -183.24 -108.16 PHI 45 45 A 74 SER C A 75 ILE N A 75 ILE CA A 75 ILE C 1.0 -152.11 -84.07 PHI 46 46 A 75 ILE C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -159.95 -63.07 PHI 47 47 A 78 VAL C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -116.28 -74.36 PHI 48 48 A 80 HIS C A 81 THR N A 81 THR CA A 81 THR C 1.0 -151.75 -106.63 PHI 49 49 A 81 THR C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -141.81 -104.73 PHI 50 50 A 82 TYR C A 83 SER N A 83 SER CA A 83 SER C 1.0 -140.93 -91.41 PHI 51 51 A 83 SER C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -171.57 -100.05 PHI 52 52 A 84 TYR C A 85 SER N A 85 SER CA A 85 SER C 1.0 -151.31 -107.47 PHI 53 53 A 85 SER C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -146.00 -87.56 PHI 54 54 A 87 ILE C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -176.92 -114.84 PHI 55 55 A 89 GLY C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -92.46 -36.50 PHI 56 56 A 90 ASP C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -108.88 -45.00 PHI 57 57 A 93 SER C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -111.30 -27.58 PHI 58 58 A 94 GLU C A 95 ASN N A 95 ASN CA A 95 ASN C 1.0 -128.55 -72.03 PHI 59 59 A 96 ILE C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -150.35 -76.27 PHI 60 60 A 97 GLU C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -176.48 -58.16 PHI 61 61 A 98 LYS C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -157.19 -99.03 PHI 62 62 A 99 ILE C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -149.20 -82.04 PHI 63 63 A 100 ASP C A 101 TYR N A 101 TYR CA A 101 TYR C 1.0 -146.57 -94.69 PHI 64 64 A 101 TYR C A 102 GLU N A 102 GLU CA A 102 GLU C 1.0 -159.25 -89.05 PHI 65 65 A 102 GLU C A 103 THR N A 103 THR CA A 103 THR C 1.0 -135.98 -102.18 PHI 66 66 A 103 THR C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -166.82 -79.46 PHI 67 67 A 104 LYS C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -133.74 -88.62 PHI 68 68 A 105 LEU C A 106 VAL N A 106 VAL CA A 106 VAL C 1.0 -131.75 -101.67 PHI 69 69 A 106 VAL C A 107 SER N A 107 SER CA A 107 SER C 1.0 -114.20 -54.76 PHI 70 70 A 107 SER C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -112.03 -51.15 PHI 71 71 A 112 GLY C A 113 THR N A 113 THR CA A 113 THR C 1.0 -136.94 -115.66 PHI 72 72 A 113 THR C A 114 ILE N A 114 ILE CA A 114 ILE C 1.0 -159.59 -85.39 PHI 73 73 A 114 ILE C A 115 ILE N A 115 ILE CA A 115 ILE C 1.0 -137.07 -87.23 PHI 74 74 A 115 ILE C A 116 LYS N A 116 LYS CA A 116 LYS C 1.0 -129.24 -73.44 PHI 75 75 A 116 LYS C A 117 THR N A 117 THR CA A 117 THR C 1.0 -139.91 -93.15 PHI 76 76 A 117 THR C A 118 THR N A 118 THR CA A 118 THR C 1.0 -138.56 -85.76 PHI 77 77 A 118 THR C A 119 SER N A 119 SER CA A 119 SER C 1.0 -145.54 -98.10 PHI 78 78 A 119 SER C A 120 LYS N A 120 LYS CA A 120 LYS C 1.0 -152.97 -93.13 PHI 79 79 A 120 LYS C A 121 TYR N A 121 TYR CA A 121 TYR C 1.0 -144.25 -102.69 PHI 80 80 A 122 HIS C A 123 THR N A 123 THR CA A 123 THR C 1.0 -152.15 -99.83 PHI 81 81 A 129 ILE C A 130 LYS N A 130 LYS CA A 130 LYS C 1.0 -143.00 -42.08 PHI 82 82 A 130 LYS C A 131 GLU N A 131 GLU CA A 131 GLU C 1.0 -71.29 -47.09 PHI 83 83 A 131 GLU C A 132 GLU N A 132 GLU CA A 132 GLU C 1.0 -72.92 -52.56 PHI 84 84 A 132 GLU C A 133 HIS N A 133 HIS CA A 133 HIS C 1.0 -76.03 -54.67 PHI 85 85 A 133 HIS C A 134 VAL N A 134 VAL CA A 134 VAL C 1.0 -70.78 -58.82 PHI 86 86 A 134 VAL C A 135 LYS N A 135 LYS CA A 135 LYS C 1.0 -70.52 -55.68 PHI 87 87 A 135 LYS C A 136 ALA N A 136 ALA CA A 136 ALA C 1.0 -73.77 -51.61 PHI 88 88 A 136 ALA C A 137 GLY N A 137 GLY CA A 137 GLY C 1.0 -84.03 -51.39 PHI 89 89 A 137 GLY C A 138 LYS N A 138 LYS CA A 138 LYS C 1.0 -82.18 -44.14 PHI 90 90 A 138 LYS C A 139 GLU N A 139 GLU CA A 139 GLU C 1.0 -77.65 -51.81 PHI 91 91 A 139 GLU C A 140 LYS N A 140 LYS CA A 140 LYS C 1.0 -76.25 -52.89 PHI 92 92 A 140 LYS C A 141 ALA N A 141 ALA CA A 141 ALA C 1.0 -77.69 -54.25 PHI 93 93 A 141 ALA C A 142 ALA N A 142 ALA CA A 142 ALA C 1.0 -72.29 -57.05 PHI 94 94 A 142 ALA C A 143 HIS N A 143 HIS CA A 143 HIS C 1.0 -76.72 -50.80 PHI 95 95 A 143 HIS C A 144 LEU N A 144 LEU CA A 144 LEU C 1.0 -79.15 -53.47 PHI 96 96 A 144 LEU C A 145 PHE N A 145 PHE CA A 145 PHE C 1.0 -78.89 -53.41 PHI 97 97 A 146 LYS C A 147 LEU N A 147 LEU CA A 147 LEU C 1.0 -79.80 -52.88 PHI 98 98 A 147 LEU C A 148 ILE N A 148 ILE CA A 148 ILE C 1.0 -78.55 -53.79 PHI 99 99 A 148 ILE C A 149 GLU N A 149 GLU CA A 149 GLU C 1.0 -69.56 -54.76 PHI 100 100 A 149 GLU C A 150 GLY N A 150 GLY CA A 150 GLY C 1.0 -89.80 -53.92 PHI 101 101 A 150 GLY C A 151 TYR N A 151 TYR CA A 151 TYR C 1.0 -80.83 -45.35 PHI 102 102 A 151 TYR C A 152 LEU N A 152 LEU CA A 152 LEU C 1.0 -75.35 -55.43 PHI 103 103 A 152 LEU C A 153 LYS N A 153 LYS CA A 153 LYS C 1.0 -72.38 -53.62 PHI 104 104 A 153 LYS C A 154 ASP N A 154 ASP CA A 154 ASP C 1.0 -101.43 -45.63 PHI 105 105 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 TYR N 1.0 118.74 170.54 PSI 106 106 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 THR N 1.0 111.01 162.37 PSI 107 107 A 5 THR N A 5 THR CA A 5 THR C A 6 TYR N 1.0 111.13 143.61 PSI 108 108 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 GLU N 1.0 115.54 166.22 PSI 109 109 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ASN N 1.0 114.84 177.76 PSI 110 110 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 GLU N 1.0 129.82 172.70 PSI 111 111 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 PHE N 1.0 108.89 179.73 PSI 112 112 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 THR N 1.0 106.99 187.83 PSI 113 113 A 11 THR N A 11 THR CA A 11 THR C A 12 SER N 1.0 115.48 170.84 PSI 114 114 A 12 SER N A 12 SER CA A 12 SER C A 13 ASP N 1.0 105.42 185.18 PSI 115 115 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 ILE N 1.0 95.78 184.14 PSI 116 116 A 15 PRO N A 15 PRO CA A 15 PRO C A 16 ALA N 1.0 128.82 152.94 PSI 117 117 A 17 PRO N A 17 PRO CA A 17 PRO C A 18 LYS N 1.0 -50.18 -14.74 PSI 118 118 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LEU N 1.0 -55.34 -22.30 PSI 119 119 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 PHE N 1.0 -58.57 -22.65 PSI 120 120 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 LYS N 1.0 -54.75 -27.51 PSI 121 121 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 ASP N 1.0 -65.90 14.10 PSI 122 122 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ASP N 1.0 -54.67 -8.87 PSI 123 123 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 ASN N 1.0 -58.52 2.68 PSI 124 124 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 LEU N 1.0 -73.55 42.73 PSI 125 125 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 LYS N 1.0 -44.55 -3.87 PSI 126 126 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 ILE N 1.0 -57.39 -8.07 PSI 127 127 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 ALA N 1.0 -55.81 18.99 PSI 128 128 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 ALA N 1.0 -66.25 49.35 PSI 129 129 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 CYS N 1.0 -51.54 11.22 PSI 130 130 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 ALA N 1.0 129.22 175.42 PSI 131 131 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLU N 1.0 110.45 177.73 PSI 132 132 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 ILE N 1.0 101.73 193.13 PSI 133 133 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 LEU N 1.0 104.83 144.07 PSI 134 134 A 53 THR N A 53 THR CA A 53 THR C A 54 ILE N 1.0 113.97 146.53 PSI 135 135 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 LYS N 1.0 105.44 147.44 PSI 136 136 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LYS N 1.0 109.40 164.60 PSI 137 137 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 ILE N 1.0 120.65 173.01 PSI 138 138 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 THR N 1.0 110.88 177.52 PSI 139 139 A 58 THR N A 58 THR CA A 58 THR C A 59 PHE N 1.0 95.74 170.30 PSI 140 140 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 GLY N 1.0 95.00 143.52 PSI 141 141 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 VAL N 1.0 144.39 179.15 PSI 142 142 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 LYS N 1.0 119.84 176.84 PSI 143 143 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 HIS N 1.0 112.36 154.12 PSI 144 144 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 LYS N 1.0 109.96 166.20 PSI 145 145 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ILE N 1.0 104.65 158.33 PSI 146 146 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 HIS N 1.0 105.59 145.91 PSI 147 147 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 SER N 1.0 -49.32 -10.92 PSI 148 148 A 74 SER N A 74 SER CA A 74 SER C A 75 ILE N 1.0 121.19 172.91 PSI 149 149 A 75 ILE N A 75 ILE CA A 75 ILE C A 76 ASP N 1.0 108.84 145.64 PSI 150 150 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 LYS N 1.0 90.50 182.30 PSI 151 151 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 HIS N 1.0 -18.15 21.85 PSI 152 152 A 81 THR N A 81 THR CA A 81 THR C A 82 TYR N 1.0 108.60 177.80 PSI 153 153 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 SER N 1.0 101.67 159.51 PSI 154 154 A 83 SER N A 83 SER CA A 83 SER C A 84 TYR N 1.0 111.80 143.44 PSI 155 155 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 SER N 1.0 115.85 190.01 PSI 156 156 A 85 SER N A 85 SER CA A 85 SER C A 86 LEU N 1.0 99.78 169.42 PSI 157 157 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 ILE N 1.0 101.53 176.89 PSI 158 158 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 GLY N 1.0 122.99 176.31 PSI 159 159 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 ALA N 1.0 -52.90 -18.70 PSI 160 160 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 LEU N 1.0 -49.77 25.59 PSI 161 161 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 ASN N 1.0 -62.84 21.48 PSI 162 162 A 95 ASN N A 95 ASN CA A 95 ASN C A 96 ILE N 1.0 -55.62 35.22 PSI 163 163 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 LYS N 1.0 110.02 179.34 PSI 164 164 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 ILE N 1.0 93.49 184.93 PSI 165 165 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 ASP N 1.0 107.75 157.35 PSI 166 166 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 TYR N 1.0 108.20 166.52 PSI 167 167 A 101 TYR N A 101 TYR CA A 101 TYR C A 102 GLU N 1.0 114.29 167.17 PSI 168 168 A 102 GLU N A 102 GLU CA A 102 GLU C A 103 THR N 1.0 105.81 144.61 PSI 169 169 A 103 THR N A 103 THR CA A 103 THR C A 104 LYS N 1.0 108.12 140.28 PSI 170 170 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 LEU N 1.0 111.85 176.97 PSI 171 171 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 VAL N 1.0 110.13 144.93 PSI 172 172 A 106 VAL N A 106 VAL CA A 106 VAL C A 107 SER N 1.0 111.43 148.83 PSI 173 173 A 107 SER N A 107 SER CA A 107 SER C A 108 ALA N 1.0 112.99 153.83 PSI 174 174 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 PRO N 1.0 100.32 186.88 PSI 175 175 A 113 THR N A 113 THR CA A 113 THR C A 114 ILE N 1.0 113.93 148.25 PSI 176 176 A 114 ILE N A 114 ILE CA A 114 ILE C A 115 ILE N 1.0 97.90 147.82 PSI 177 177 A 115 ILE N A 115 ILE CA A 115 ILE C A 116 LYS N 1.0 103.30 145.02 PSI 178 178 A 116 LYS N A 116 LYS CA A 116 LYS C A 117 THR N 1.0 107.77 139.05 PSI 179 179 A 117 THR N A 117 THR CA A 117 THR C A 118 THR N 1.0 104.75 141.95 PSI 180 180 A 118 THR N A 118 THR CA A 118 THR C A 119 SER N 1.0 103.36 148.68 PSI 181 181 A 119 SER N A 119 SER CA A 119 SER C A 120 LYS N 1.0 116.30 170.70 PSI 182 182 A 120 LYS N A 120 LYS CA A 120 LYS C A 121 TYR N 1.0 110.91 158.11 PSI 183 183 A 121 TYR N A 121 TYR CA A 121 TYR C A 122 HIS N 1.0 115.94 151.50 PSI 184 184 A 123 THR N A 123 THR CA A 123 THR C A 124 LYS N 1.0 105.28 175.72 PSI 185 185 A 130 LYS N A 130 LYS CA A 130 LYS C A 131 GLU N 1.0 100.94 200.70 PSI 186 186 A 131 GLU N A 131 GLU CA A 131 GLU C A 132 GLU N 1.0 -51.65 -7.45 PSI 187 187 A 132 GLU N A 132 GLU CA A 132 GLU C A 133 HIS N 1.0 -51.15 -29.19 PSI 188 188 A 133 HIS N A 133 HIS CA A 133 HIS C A 134 VAL N 1.0 -60.88 -31.04 PSI 189 189 A 134 VAL N A 134 VAL CA A 134 VAL C A 135 LYS N 1.0 -57.47 -28.83 PSI 190 190 A 135 LYS N A 135 LYS CA A 135 LYS C A 136 ALA N 1.0 -56.00 -28.64 PSI 191 191 A 136 ALA N A 136 ALA CA A 136 ALA C A 137 GLY N 1.0 -52.76 -24.40 PSI 192 192 A 137 GLY N A 137 GLY CA A 137 GLY C A 138 LYS N 1.0 -59.49 -22.93 PSI 193 193 A 138 LYS N A 138 LYS CA A 138 LYS C A 139 GLU N 1.0 -61.03 -27.43 PSI 194 194 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 LYS N 1.0 -50.51 -32.11 PSI 195 195 A 140 LYS N A 140 LYS CA A 140 LYS C A 141 ALA N 1.0 -46.02 -32.94 PSI 196 196 A 141 ALA N A 141 ALA CA A 141 ALA C A 142 ALA N 1.0 -59.88 -17.32 PSI 197 197 A 142 ALA N A 142 ALA CA A 142 ALA C A 143 HIS N 1.0 -50.47 -30.67 PSI 198 198 A 143 HIS N A 143 HIS CA A 143 HIS C A 144 LEU N 1.0 -58.01 -30.01 PSI 199 199 A 144 LEU N A 144 LEU CA A 144 LEU C A 145 PHE N 1.0 -51.17 -23.89 PSI 200 200 A 145 PHE N A 145 PHE CA A 145 PHE C A 146 LYS N 1.0 -55.61 -21.57 PSI 201 201 A 147 LEU N A 147 LEU CA A 147 LEU C A 148 ILE N 1.0 -48.32 -29.20 PSI 202 202 A 148 ILE N A 148 ILE CA A 148 ILE C A 149 GLU N 1.0 -56.15 -34.99 PSI 203 203 A 149 GLU N A 149 GLU CA A 149 GLU C A 150 GLY N 1.0 -57.19 -18.23 PSI 204 204 A 150 GLY N A 150 GLY CA A 150 GLY C A 151 TYR N 1.0 -58.77 -19.89 PSI 205 205 A 151 TYR N A 151 TYR CA A 151 TYR C A 152 LEU N 1.0 -68.43 -17.99 PSI 206 206 A 152 LEU N A 152 LEU CA A 152 LEU C A 153 LYS N 1.0 -57.28 -16.68 PSI 207 207 A 153 LYS N A 153 LYS CA A 153 LYS C A 154 ASP N 1.0 -52.00 -14.84 PSI 208 208 A 154 ASP N A 154 ASP CA A 154 ASP C A 155 HIS N 1.0 -72.52 11.08 PSI 209 209 A 134 VAL HA A 134 VAL CA A 134 VAL CB A 134 VAL HB 1.0 150.00 210.00 . stop_ save_